1 2 Program PWSCF v.5.0.2 (svn rev. 9656) starts on 26Jun2013 at 17:12:47 3 4 This program is part of the open-source Quantum ESPRESSO suite 5 for quantum simulation of materials; please cite 6 "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); 7 URL http://www.quantum-espresso.org", 8 in publications or presentations arising from this work. More details at 9 http://www.quantum-espresso.org/quote.php 10 11 Parallel version (MPI), running on 144 processors 12 K-points division: npool = 36 13 R & G space division: proc/nbgrp/npool/nimage = 4 14 15 Current dimensions of program PWSCF are: 16 Max number of different atomic species (ntypx) = 10 17 Max number of k-points (npk) = 40000 18 Max angular momentum in pseudopotentials (lmaxx) = 3 19 Waiting for input... 20 Reading input from standard input 21 22 Atomic positions and unit cell read from directory: 23 ./Zn2O2.save/ 24 25 26 Subspace diagonalization in iterative solution of the eigenvalue problem: 27 a serial algorithm will be used 28 29 30 Info: using nr1, nr2, nr3 values from input 31 32 Parallelization info 33 -------------------- 34 sticks: dense smooth PW G-vecs: dense smooth PW 35 Min 1038 1038 280 86720 86720 12114 36 Max 1039 1039 281 86727 86727 12119 37 Sum 4153 4153 1123 346889 346889 48467 38 39 40 41 bravais-lattice index = 0 42 lattice parameter (alat) = 1.8897 a.u. 43 unit-cell volume = 320.9943 (a.u.)^3 44 number of atoms/cell = 4 45 number of atomic types = 2 46 number of electrons = 52.00 47 number of Kohn-Sham states= 52 48 kinetic-energy cutoff = 400.0000 Ry 49 charge density cutoff = 1600.0000 Ry 50 Exchange-correlation = SLA+PW ( 1 4 0 0 0) 51 EXX-fraction = 0.00 52 53 celldm(1)= 1.889726 celldm(2)= 0.000000 celldm(3)= 0.000000 54 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 55 56 crystal axes: (cart. coord. in units of alat) 57 a(1) = ( 3.250000 0.000000 0.000000 ) 58 a(2) = ( -1.625000 2.814583 0.000000 ) 59 a(3) = ( 0.000000 0.000000 5.200000 ) 60 61 reciprocal axes: (cart. coord. in units 2 pi/alat) 62 b(1) = ( 0.307692 0.177646 0.000000 ) 63 b(2) = ( 0.000000 0.355292 0.000000 ) 64 b(3) = ( 0.000000 0.000000 0.192308 ) 65 66 67 PseudoPot. # 1 for Zn read from file: 68 ../../0_pp/Zn.pw-spn-nc.UPF 69 MD5 check sum: 9a837cc8ef69fdaee1504d3748345681 70 Pseudo is Norm-conserving + core correction, Zval = 20.0 71 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 72 Using radial grid of 1201 points, 2 beta functions with: 73 l(1) = 0 74 l(2) = 1 75 76 PseudoPot. # 2 for O read from file: 77 ../../0_pp/O.pw-n-nc.UPF 78 MD5 check sum: 22ead4914353326b5879bd0c3df232e0 79 Pseudo is Norm-conserving + core correction, Zval = 6.0 80 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 81 Using radial grid of 1095 points, 1 beta functions with: 82 l(1) = 0 83 84 atomic species valence mass pseudopotential 85 Zn 20.00 65.38000 Zn( 1.00) 86 O 6.00 15.99900 O( 1.00) 87 88 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) 89 90 91 s frac. trans. 92 93 isym = 1 identity 94 95 cryst. s( 1) = ( 1 0 0 ) 96 ( 0 1 0 ) 97 ( 0 0 1 ) 98 99 cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) 100 ( 0.0000000 1.0000000 0.0000000 ) 101 ( 0.0000000 0.0000000 1.0000000 ) 102 103 104 isym = 2 180 deg rotation - cart. axis [0,0,1] 105 106 cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) 107 ( 0 -1 0 ) ( 0.0000000 ) 108 ( 0 0 1 ) ( -0.5000000 ) 109 110 cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) 111 ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) 112 ( 0.0000000 0.0000000 1.0000000 ) ( -2.6000000 ) 113 114 115 isym = 3 60 deg rotation - cryst. axis [0,0,1] 116 117 cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) 118 ( -1 0 0 ) ( 0.0000000 ) 119 ( 0 0 1 ) ( -0.5000000 ) 120 121 cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) 122 ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) 123 ( 0.0000000 0.0000000 1.0000000 ) ( -2.6000000 ) 124 125 126 isym = 4 60 deg rotation - cryst. axis [0,0,-1] 127 128 cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) 129 ( 1 1 0 ) ( 0.0000000 ) 130 ( 0 0 1 ) ( -0.5000000 ) 131 132 cart. s( 4) = ( 0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) 133 ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) 134 ( 0.0000000 0.0000000 1.0000000 ) ( -2.6000000 ) 135 136 137 isym = 5 120 deg rotation - cryst. axis [0,0,1] 138 139 cryst. s( 5) = ( 0 1 0 ) 140 ( -1 -1 0 ) 141 ( 0 0 1 ) 142 143 cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) 144 ( 0.8660254 -0.5000000 0.0000000 ) 145 ( 0.0000000 0.0000000 1.0000000 ) 146 147 148 isym = 6 120 deg rotation - cryst. axis [0,0,-1] 149 150 cryst. s( 6) = ( -1 -1 0 ) 151 ( 1 0 0 ) 152 ( 0 0 1 ) 153 154 cart. s( 6) = ( -0.5000000 0.8660254 0.0000000 ) 155 ( -0.8660254 -0.5000000 0.0000000 ) 156 ( 0.0000000 0.0000000 1.0000000 ) 157 158 159 isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] 160 161 cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) 162 ( -1 -1 0 ) ( 0.0000000 ) 163 ( 0 0 1 ) ( -0.5000000 ) 164 165 cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) 166 ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) 167 ( 0.0000000 0.0000000 1.0000000 ) ( -2.6000000 ) 168 169 170 isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] 171 172 cryst. s( 8) = ( -1 0 0 ) 173 ( 1 1 0 ) 174 ( 0 0 1 ) 175 176 cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) 177 ( 0.0000000 1.0000000 0.0000000 ) 178 ( 0.0000000 0.0000000 1.0000000 ) 179 180 181 isym = 9 inv. 180 deg rotation - cryst. axis [1,-1,0] 182 183 cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) 184 ( 1 0 0 ) ( 0.0000000 ) 185 ( 0 0 1 ) ( -0.5000000 ) 186 187 cart. s( 9) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) 188 ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) 189 ( 0.0000000 0.0000000 1.0000000 ) ( -2.6000000 ) 190 191 192 isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] 193 194 cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) 195 ( 0 1 0 ) ( 0.0000000 ) 196 ( 0 0 1 ) ( -0.5000000 ) 197 198 cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) 199 ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) 200 ( 0.0000000 0.0000000 1.0000000 ) ( -2.6000000 ) 201 202 203 isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] 204 205 cryst. s(11) = ( 1 1 0 ) 206 ( 0 -1 0 ) 207 ( 0 0 1 ) 208 209 cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) 210 ( 0.8660254 -0.5000000 0.0000000 ) 211 ( 0.0000000 0.0000000 1.0000000 ) 212 213 214 isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] 215 216 cryst. s(12) = ( 0 -1 0 ) 217 ( -1 0 0 ) 218 ( 0 0 1 ) 219 220 cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) 221 ( -0.8660254 -0.5000000 0.0000000 ) 222 ( 0.0000000 0.0000000 1.0000000 ) 223 224 225 point group C_6v (6mm) 226 there are 6 classes 227 the character table: 228 229 E 2C6 2C3 C2 3s_v 3s_d 230A_1 1.00 1.00 1.00 1.00 1.00 1.00 231A_2 1.00 1.00 1.00 1.00 -1.00 -1.00 232B_1 1.00 -1.00 1.00 -1.00 1.00 -1.00 233B_2 1.00 -1.00 1.00 -1.00 -1.00 1.00 234E_1 2.00 1.00 -1.00 -2.00 0.00 0.00 235E_2 2.00 -1.00 -1.00 2.00 0.00 0.00 236 237 the symmetry operations in each class: 238 E 1 239 C2 2 240 2C6 3 4 241 2C3 5 6 242 3s_v 7 9 10 243 3s_d 8 12 11 244 245 Cartesian axes 246 247 site n. atom positions (alat units) 248 1 Zn tau( 1) = ( 1.6250000 0.9381942 0.0000000 ) 249 2 Zn tau( 2) = ( 0.0000000 1.8763884 2.6000000 ) 250 3 O tau( 3) = ( 1.6250000 0.9381942 3.2136000 ) 251 4 O tau( 4) = ( 0.0000000 1.8763884 0.6136000 ) 252 253 Crystallographic axes 254 255 site n. atom positions (cryst. coord.) 256 1 Zn tau( 1) = ( 0.6666667 0.3333333 0.0000000 ) 257 2 Zn tau( 2) = ( 0.3333333 0.6666667 0.5000000 ) 258 3 O tau( 3) = ( 0.6666667 0.3333333 0.6180000 ) 259 4 O tau( 4) = ( 0.3333333 0.6666667 0.1180000 ) 260 261 number of k points= 435 262 cart. coord. in units 2pi/alat 263 k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045977 264 k( 2) = ( 0.0030769 0.0017765 0.0000000), wk = 0.0045977 265 k( 3) = ( 0.0061538 0.0035529 0.0000000), wk = 0.0045977 266 k( 4) = ( 0.0092308 0.0053294 0.0000000), wk = 0.0045977 267 k( 5) = ( 0.0123077 0.0071058 0.0000000), wk = 0.0045977 268 k( 6) = ( 0.0153846 0.0088823 0.0000000), wk = 0.0045977 269 k( 7) = ( 0.0184615 0.0106588 0.0000000), wk = 0.0045977 270 k( 8) = ( 0.0215385 0.0124352 0.0000000), wk = 0.0045977 271 k( 9) = ( 0.0246154 0.0142117 0.0000000), wk = 0.0045977 272 k( 10) = ( 0.0276923 0.0159882 0.0000000), wk = 0.0045977 273 k( 11) = ( 0.0307692 0.0177646 0.0000000), wk = 0.0045977 274 k( 12) = ( 0.0338462 0.0195411 0.0000000), wk = 0.0045977 275 k( 13) = ( 0.0369231 0.0213175 0.0000000), wk = 0.0045977 276 k( 14) = ( 0.0400000 0.0230940 0.0000000), wk = 0.0045977 277 k( 15) = ( 0.0430769 0.0248705 0.0000000), wk = 0.0045977 278 k( 16) = ( 0.0461538 0.0266469 0.0000000), wk = 0.0045977 279 k( 17) = ( 0.0492308 0.0284234 0.0000000), wk = 0.0045977 280 k( 18) = ( 0.0523077 0.0301999 0.0000000), wk = 0.0045977 281 k( 19) = ( 0.0553846 0.0319763 0.0000000), wk = 0.0045977 282 k( 20) = ( 0.0584615 0.0337528 0.0000000), wk = 0.0045977 283 k( 21) = ( 0.0615385 0.0355292 0.0000000), wk = 0.0045977 284 k( 22) = ( 0.0646154 0.0373057 0.0000000), wk = 0.0045977 285 k( 23) = ( 0.0676923 0.0390822 0.0000000), wk = 0.0045977 286 k( 24) = ( 0.0707692 0.0408586 0.0000000), wk = 0.0045977 287 k( 25) = ( 0.0738462 0.0426351 0.0000000), wk = 0.0045977 288 k( 26) = ( 0.0769231 0.0444116 0.0000000), wk = 0.0045977 289 k( 27) = ( 0.0800000 0.0461880 0.0000000), wk = 0.0045977 290 k( 28) = ( 0.0830769 0.0479645 0.0000000), wk = 0.0045977 291 k( 29) = ( 0.0861538 0.0497409 0.0000000), wk = 0.0045977 292 k( 30) = ( 0.0892308 0.0515174 0.0000000), wk = 0.0045977 293 k( 31) = ( 0.0923077 0.0532939 0.0000000), wk = 0.0045977 294 k( 32) = ( 0.0953846 0.0550703 0.0000000), wk = 0.0045977 295 k( 33) = ( 0.0984615 0.0568468 0.0000000), wk = 0.0045977 296 k( 34) = ( 0.1015385 0.0586233 0.0000000), wk = 0.0045977 297 k( 35) = ( 0.1046154 0.0603997 0.0000000), wk = 0.0045977 298 k( 36) = ( 0.1076923 0.0621762 0.0000000), wk = 0.0045977 299 k( 37) = ( 0.1107692 0.0639526 0.0000000), wk = 0.0045977 300 k( 38) = ( 0.1138462 0.0657291 0.0000000), wk = 0.0045977 301 k( 39) = ( 0.1169231 0.0675056 0.0000000), wk = 0.0045977 302 k( 40) = ( 0.1200000 0.0692820 0.0000000), wk = 0.0045977 303 k( 41) = ( 0.1230769 0.0710585 0.0000000), wk = 0.0045977 304 k( 42) = ( 0.1261538 0.0728350 0.0000000), wk = 0.0045977 305 k( 43) = ( 0.1292308 0.0746114 0.0000000), wk = 0.0045977 306 k( 44) = ( 0.1323077 0.0763879 0.0000000), wk = 0.0045977 307 k( 45) = ( 0.1353846 0.0781643 0.0000000), wk = 0.0045977 308 k( 46) = ( 0.1384615 0.0799408 0.0000000), wk = 0.0045977 309 k( 47) = ( 0.1415385 0.0817173 0.0000000), wk = 0.0045977 310 k( 48) = ( 0.1446154 0.0834937 0.0000000), wk = 0.0045977 311 k( 49) = ( 0.1476923 0.0852702 0.0000000), wk = 0.0045977 312 k( 50) = ( 0.1507692 0.0870467 0.0000000), wk = 0.0045977 313 k( 51) = ( 0.1538462 0.0888231 0.0000000), wk = 0.0045977 314 k( 52) = ( 0.1520778 0.0918860 0.0000000), wk = 0.0045977 315 k( 53) = ( 0.1503095 0.0949488 0.0000000), wk = 0.0045977 316 k( 54) = ( 0.1485411 0.0980117 0.0000000), wk = 0.0045977 317 k( 55) = ( 0.1467728 0.1010746 0.0000000), wk = 0.0045977 318 k( 56) = ( 0.1450044 0.1041374 0.0000000), wk = 0.0045977 319 k( 57) = ( 0.1432361 0.1072003 0.0000000), wk = 0.0045977 320 k( 58) = ( 0.1414677 0.1102631 0.0000000), wk = 0.0045977 321 k( 59) = ( 0.1396994 0.1133260 0.0000000), wk = 0.0045977 322 k( 60) = ( 0.1379310 0.1163889 0.0000000), wk = 0.0045977 323 k( 61) = ( 0.1361627 0.1194517 0.0000000), wk = 0.0045977 324 k( 62) = ( 0.1343943 0.1225146 0.0000000), wk = 0.0045977 325 k( 63) = ( 0.1326260 0.1255774 0.0000000), wk = 0.0045977 326 k( 64) = ( 0.1308576 0.1286403 0.0000000), wk = 0.0045977 327 k( 65) = ( 0.1290893 0.1317032 0.0000000), wk = 0.0045977 328 k( 66) = ( 0.1273209 0.1347660 0.0000000), wk = 0.0045977 329 k( 67) = ( 0.1255526 0.1378289 0.0000000), wk = 0.0045977 330 k( 68) = ( 0.1237842 0.1408917 0.0000000), wk = 0.0045977 331 k( 69) = ( 0.1220159 0.1439546 0.0000000), wk = 0.0045977 332 k( 70) = ( 0.1202475 0.1470175 0.0000000), wk = 0.0045977 333 k( 71) = ( 0.1184792 0.1500803 0.0000000), wk = 0.0045977 334 k( 72) = ( 0.1167108 0.1531432 0.0000000), wk = 0.0045977 335 k( 73) = ( 0.1149425 0.1562060 0.0000000), wk = 0.0045977 336 k( 74) = ( 0.1131741 0.1592689 0.0000000), wk = 0.0045977 337 k( 75) = ( 0.1114058 0.1623318 0.0000000), wk = 0.0045977 338 k( 76) = ( 0.1096374 0.1653946 0.0000000), wk = 0.0045977 339 k( 77) = ( 0.1078691 0.1684575 0.0000000), wk = 0.0045977 340 k( 78) = ( 0.1061007 0.1715203 0.0000000), wk = 0.0045977 341 k( 79) = ( 0.1043324 0.1745832 0.0000000), wk = 0.0045977 342 k( 80) = ( 0.1025640 0.1776461 0.0000000), wk = 0.0045977 343 k( 81) = ( 0.1007957 0.1745832 0.0000000), wk = 0.0045977 344 k( 82) = ( 0.0990273 0.1715203 0.0000000), wk = 0.0045977 345 k( 83) = ( 0.0972590 0.1684575 0.0000000), wk = 0.0045977 346 k( 84) = ( 0.0954906 0.1653946 0.0000000), wk = 0.0045977 347 k( 85) = ( 0.0937223 0.1623317 0.0000000), wk = 0.0045977 348 k( 86) = ( 0.0919539 0.1592689 0.0000000), wk = 0.0045977 349 k( 87) = ( 0.0901856 0.1562060 0.0000000), wk = 0.0045977 350 k( 88) = ( 0.0884172 0.1531432 0.0000000), wk = 0.0045977 351 k( 89) = ( 0.0866489 0.1500803 0.0000000), wk = 0.0045977 352 k( 90) = ( 0.0848806 0.1470174 0.0000000), wk = 0.0045977 353 k( 91) = ( 0.0831122 0.1439546 0.0000000), wk = 0.0045977 354 k( 92) = ( 0.0813439 0.1408917 0.0000000), wk = 0.0045977 355 k( 93) = ( 0.0795755 0.1378288 0.0000000), wk = 0.0045977 356 k( 94) = ( 0.0778072 0.1347660 0.0000000), wk = 0.0045977 357 k( 95) = ( 0.0760388 0.1317031 0.0000000), wk = 0.0045977 358 k( 96) = ( 0.0742705 0.1286402 0.0000000), wk = 0.0045977 359 k( 97) = ( 0.0725021 0.1255774 0.0000000), wk = 0.0045977 360 k( 98) = ( 0.0707338 0.1225145 0.0000000), wk = 0.0045977 361 k( 99) = ( 0.0689654 0.1194517 0.0000000), wk = 0.0045977 362 k( 100) = ( 0.0671971 0.1163888 0.0000000), wk = 0.0045977 363 k( 101) = ( 0.0654288 0.1133259 0.0000000), wk = 0.0045977 364 k( 102) = ( 0.0636604 0.1102631 0.0000000), wk = 0.0045977 365 k( 103) = ( 0.0618921 0.1072002 0.0000000), wk = 0.0045977 366 k( 104) = ( 0.0601237 0.1041373 0.0000000), wk = 0.0045977 367 k( 105) = ( 0.0583554 0.1010745 0.0000000), wk = 0.0045977 368 k( 106) = ( 0.0565870 0.0980116 0.0000000), wk = 0.0045977 369 k( 107) = ( 0.0548187 0.0949488 0.0000000), wk = 0.0045977 370 k( 108) = ( 0.0530503 0.0918859 0.0000000), wk = 0.0045977 371 k( 109) = ( 0.0512820 0.0888230 0.0000000), wk = 0.0045977 372 k( 110) = ( 0.0495137 0.0857602 0.0000000), wk = 0.0045977 373 k( 111) = ( 0.0477453 0.0826973 0.0000000), wk = 0.0045977 374 k( 112) = ( 0.0459770 0.0796344 0.0000000), wk = 0.0045977 375 k( 113) = ( 0.0442086 0.0765716 0.0000000), wk = 0.0045977 376 k( 114) = ( 0.0424403 0.0735087 0.0000000), wk = 0.0045977 377 k( 115) = ( 0.0406719 0.0704459 0.0000000), wk = 0.0045977 378 k( 116) = ( 0.0389036 0.0673830 0.0000000), wk = 0.0045977 379 k( 117) = ( 0.0371352 0.0643201 0.0000000), wk = 0.0045977 380 k( 118) = ( 0.0353669 0.0612573 0.0000000), wk = 0.0045977 381 k( 119) = ( 0.0335986 0.0581944 0.0000000), wk = 0.0045977 382 k( 120) = ( 0.0318302 0.0551315 0.0000000), wk = 0.0045977 383 k( 121) = ( 0.0300619 0.0520687 0.0000000), wk = 0.0045977 384 k( 122) = ( 0.0282935 0.0490058 0.0000000), wk = 0.0045977 385 k( 123) = ( 0.0265252 0.0459429 0.0000000), wk = 0.0045977 386 k( 124) = ( 0.0247568 0.0428801 0.0000000), wk = 0.0045977 387 k( 125) = ( 0.0229885 0.0398172 0.0000000), wk = 0.0045977 388 k( 126) = ( 0.0212201 0.0367544 0.0000000), wk = 0.0045977 389 k( 127) = ( 0.0194518 0.0336915 0.0000000), wk = 0.0045977 390 k( 128) = ( 0.0176834 0.0306286 0.0000000), wk = 0.0045977 391 k( 129) = ( 0.0159151 0.0275658 0.0000000), wk = 0.0045977 392 k( 130) = ( 0.0141468 0.0245029 0.0000000), wk = 0.0045977 393 k( 131) = ( 0.0123784 0.0214400 0.0000000), wk = 0.0045977 394 k( 132) = ( 0.0106101 0.0183772 0.0000000), wk = 0.0045977 395 k( 133) = ( 0.0088417 0.0153143 0.0000000), wk = 0.0045977 396 k( 134) = ( 0.0070734 0.0122515 0.0000000), wk = 0.0045977 397 k( 135) = ( 0.0053050 0.0091886 0.0000000), wk = 0.0045977 398 k( 136) = ( 0.0035367 0.0061257 0.0000000), wk = 0.0045977 399 k( 137) = ( 0.0017683 0.0030629 0.0000000), wk = 0.0045977 400 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045977 401 k( 139) = ( 0.0000000 0.0000000 0.0035613), wk = 0.0045977 402 k( 140) = ( 0.0000000 0.0000000 0.0071225), wk = 0.0045977 403 k( 141) = ( 0.0000000 0.0000000 0.0106838), wk = 0.0045977 404 k( 142) = ( 0.0000000 0.0000000 0.0142450), wk = 0.0045977 405 k( 143) = ( 0.0000000 0.0000000 0.0178063), wk = 0.0045977 406 k( 144) = ( 0.0000000 0.0000000 0.0213675), wk = 0.0045977 407 k( 145) = ( 0.0000000 0.0000000 0.0249288), wk = 0.0045977 408 k( 146) = ( 0.0000000 0.0000000 0.0284900), wk = 0.0045977 409 k( 147) = ( 0.0000000 0.0000000 0.0320513), wk = 0.0045977 410 k( 148) = ( 0.0000000 0.0000000 0.0356125), wk = 0.0045977 411 k( 149) = ( 0.0000000 0.0000000 0.0391738), wk = 0.0045977 412 k( 150) = ( 0.0000000 0.0000000 0.0427350), wk = 0.0045977 413 k( 151) = ( 0.0000000 0.0000000 0.0462963), wk = 0.0045977 414 k( 152) = ( 0.0000000 0.0000000 0.0498575), wk = 0.0045977 415 k( 153) = ( 0.0000000 0.0000000 0.0534188), wk = 0.0045977 416 k( 154) = ( 0.0000000 0.0000000 0.0569801), wk = 0.0045977 417 k( 155) = ( 0.0000000 0.0000000 0.0605413), wk = 0.0045977 418 k( 156) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0045977 419 k( 157) = ( 0.0000000 0.0000000 0.0676638), wk = 0.0045977 420 k( 158) = ( 0.0000000 0.0000000 0.0712251), wk = 0.0045977 421 k( 159) = ( 0.0000000 0.0000000 0.0747863), wk = 0.0045977 422 k( 160) = ( 0.0000000 0.0000000 0.0783476), wk = 0.0045977 423 k( 161) = ( 0.0000000 0.0000000 0.0819088), wk = 0.0045977 424 k( 162) = ( 0.0000000 0.0000000 0.0854701), wk = 0.0045977 425 k( 163) = ( 0.0000000 0.0000000 0.0890313), wk = 0.0045977 426 k( 164) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0045977 427 k( 165) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0045977 428 k( 166) = ( 0.0030769 0.0017765 0.0961538), wk = 0.0045977 429 k( 167) = ( 0.0061538 0.0035529 0.0961538), wk = 0.0045977 430 k( 168) = ( 0.0092308 0.0053294 0.0961538), wk = 0.0045977 431 k( 169) = ( 0.0123077 0.0071058 0.0961538), wk = 0.0045977 432 k( 170) = ( 0.0153846 0.0088823 0.0961538), wk = 0.0045977 433 k( 171) = ( 0.0184615 0.0106588 0.0961538), wk = 0.0045977 434 k( 172) = ( 0.0215385 0.0124352 0.0961538), wk = 0.0045977 435 k( 173) = ( 0.0246154 0.0142117 0.0961538), wk = 0.0045977 436 k( 174) = ( 0.0276923 0.0159882 0.0961538), wk = 0.0045977 437 k( 175) = ( 0.0307692 0.0177646 0.0961538), wk = 0.0045977 438 k( 176) = ( 0.0338462 0.0195411 0.0961538), wk = 0.0045977 439 k( 177) = ( 0.0369231 0.0213175 0.0961538), wk = 0.0045977 440 k( 178) = ( 0.0400000 0.0230940 0.0961538), wk = 0.0045977 441 k( 179) = ( 0.0430769 0.0248705 0.0961538), wk = 0.0045977 442 k( 180) = ( 0.0461538 0.0266469 0.0961538), wk = 0.0045977 443 k( 181) = ( 0.0492308 0.0284234 0.0961538), wk = 0.0045977 444 k( 182) = ( 0.0523077 0.0301999 0.0961538), wk = 0.0045977 445 k( 183) = ( 0.0553846 0.0319763 0.0961538), wk = 0.0045977 446 k( 184) = ( 0.0584615 0.0337528 0.0961538), wk = 0.0045977 447 k( 185) = ( 0.0615385 0.0355292 0.0961538), wk = 0.0045977 448 k( 186) = ( 0.0646154 0.0373057 0.0961538), wk = 0.0045977 449 k( 187) = ( 0.0676923 0.0390822 0.0961538), wk = 0.0045977 450 k( 188) = ( 0.0707692 0.0408586 0.0961538), wk = 0.0045977 451 k( 189) = ( 0.0738462 0.0426351 0.0961538), wk = 0.0045977 452 k( 190) = ( 0.0769231 0.0444116 0.0961538), wk = 0.0045977 453 k( 191) = ( 0.0800000 0.0461880 0.0961538), wk = 0.0045977 454 k( 192) = ( 0.0830769 0.0479645 0.0961538), wk = 0.0045977 455 k( 193) = ( 0.0861538 0.0497409 0.0961538), wk = 0.0045977 456 k( 194) = ( 0.0892308 0.0515174 0.0961538), wk = 0.0045977 457 k( 195) = ( 0.0923077 0.0532939 0.0961538), wk = 0.0045977 458 k( 196) = ( 0.0953846 0.0550703 0.0961538), wk = 0.0045977 459 k( 197) = ( 0.0984615 0.0568468 0.0961538), wk = 0.0045977 460 k( 198) = ( 0.1015385 0.0586233 0.0961538), wk = 0.0045977 461 k( 199) = ( 0.1046154 0.0603997 0.0961538), wk = 0.0045977 462 k( 200) = ( 0.1076923 0.0621762 0.0961538), wk = 0.0045977 463 k( 201) = ( 0.1107692 0.0639526 0.0961538), wk = 0.0045977 464 k( 202) = ( 0.1138462 0.0657291 0.0961538), wk = 0.0045977 465 k( 203) = ( 0.1169231 0.0675056 0.0961538), wk = 0.0045977 466 k( 204) = ( 0.1200000 0.0692820 0.0961538), wk = 0.0045977 467 k( 205) = ( 0.1230769 0.0710585 0.0961538), wk = 0.0045977 468 k( 206) = ( 0.1261538 0.0728350 0.0961538), wk = 0.0045977 469 k( 207) = ( 0.1292308 0.0746114 0.0961538), wk = 0.0045977 470 k( 208) = ( 0.1323077 0.0763879 0.0961538), wk = 0.0045977 471 k( 209) = ( 0.1353846 0.0781643 0.0961538), wk = 0.0045977 472 k( 210) = ( 0.1384615 0.0799408 0.0961538), wk = 0.0045977 473 k( 211) = ( 0.1415385 0.0817173 0.0961538), wk = 0.0045977 474 k( 212) = ( 0.1446154 0.0834937 0.0961538), wk = 0.0045977 475 k( 213) = ( 0.1476923 0.0852702 0.0961538), wk = 0.0045977 476 k( 214) = ( 0.1507692 0.0870467 0.0961538), wk = 0.0045977 477 k( 215) = ( 0.1538462 0.0888231 0.0961538), wk = 0.0045977 478 k( 216) = ( 0.1520778 0.0918860 0.0961538), wk = 0.0045977 479 k( 217) = ( 0.1503095 0.0949488 0.0961538), wk = 0.0045977 480 k( 218) = ( 0.1485411 0.0980117 0.0961538), wk = 0.0045977 481 k( 219) = ( 0.1467728 0.1010746 0.0961538), wk = 0.0045977 482 k( 220) = ( 0.1450044 0.1041374 0.0961538), wk = 0.0045977 483 k( 221) = ( 0.1432361 0.1072003 0.0961538), wk = 0.0045977 484 k( 222) = ( 0.1414677 0.1102631 0.0961538), wk = 0.0045977 485 k( 223) = ( 0.1396994 0.1133260 0.0961538), wk = 0.0045977 486 k( 224) = ( 0.1379310 0.1163889 0.0961538), wk = 0.0045977 487 k( 225) = ( 0.1361627 0.1194517 0.0961538), wk = 0.0045977 488 k( 226) = ( 0.1343943 0.1225146 0.0961538), wk = 0.0045977 489 k( 227) = ( 0.1326260 0.1255774 0.0961538), wk = 0.0045977 490 k( 228) = ( 0.1308576 0.1286403 0.0961538), wk = 0.0045977 491 k( 229) = ( 0.1290893 0.1317032 0.0961538), wk = 0.0045977 492 k( 230) = ( 0.1273209 0.1347660 0.0961538), wk = 0.0045977 493 k( 231) = ( 0.1255526 0.1378289 0.0961538), wk = 0.0045977 494 k( 232) = ( 0.1237842 0.1408917 0.0961538), wk = 0.0045977 495 k( 233) = ( 0.1220159 0.1439546 0.0961538), wk = 0.0045977 496 k( 234) = ( 0.1202475 0.1470175 0.0961538), wk = 0.0045977 497 k( 235) = ( 0.1184792 0.1500803 0.0961538), wk = 0.0045977 498 k( 236) = ( 0.1167108 0.1531432 0.0961538), wk = 0.0045977 499 k( 237) = ( 0.1149425 0.1562060 0.0961538), wk = 0.0045977 500 k( 238) = ( 0.1131741 0.1592689 0.0961538), wk = 0.0045977 501 k( 239) = ( 0.1114058 0.1623318 0.0961538), wk = 0.0045977 502 k( 240) = ( 0.1096374 0.1653946 0.0961538), wk = 0.0045977 503 k( 241) = ( 0.1078691 0.1684575 0.0961538), wk = 0.0045977 504 k( 242) = ( 0.1061007 0.1715203 0.0961538), wk = 0.0045977 505 k( 243) = ( 0.1043324 0.1745832 0.0961538), wk = 0.0045977 506 k( 244) = ( 0.1025640 0.1776461 0.0961538), wk = 0.0045977 507 k( 245) = ( 0.1007957 0.1745832 0.0961538), wk = 0.0045977 508 k( 246) = ( 0.0990273 0.1715203 0.0961538), wk = 0.0045977 509 k( 247) = ( 0.0972590 0.1684575 0.0961538), wk = 0.0045977 510 k( 248) = ( 0.0954906 0.1653946 0.0961538), wk = 0.0045977 511 k( 249) = ( 0.0937223 0.1623317 0.0961538), wk = 0.0045977 512 k( 250) = ( 0.0919539 0.1592689 0.0961538), wk = 0.0045977 513 k( 251) = ( 0.0901856 0.1562060 0.0961538), wk = 0.0045977 514 k( 252) = ( 0.0884172 0.1531432 0.0961538), wk = 0.0045977 515 k( 253) = ( 0.0866489 0.1500803 0.0961538), wk = 0.0045977 516 k( 254) = ( 0.0848806 0.1470174 0.0961538), wk = 0.0045977 517 k( 255) = ( 0.0831122 0.1439546 0.0961538), wk = 0.0045977 518 k( 256) = ( 0.0813439 0.1408917 0.0961538), wk = 0.0045977 519 k( 257) = ( 0.0795755 0.1378288 0.0961538), wk = 0.0045977 520 k( 258) = ( 0.0778072 0.1347660 0.0961538), wk = 0.0045977 521 k( 259) = ( 0.0760388 0.1317031 0.0961538), wk = 0.0045977 522 k( 260) = ( 0.0742705 0.1286402 0.0961538), wk = 0.0045977 523 k( 261) = ( 0.0725021 0.1255774 0.0961538), wk = 0.0045977 524 k( 262) = ( 0.0707338 0.1225145 0.0961538), wk = 0.0045977 525 k( 263) = ( 0.0689654 0.1194517 0.0961538), wk = 0.0045977 526 k( 264) = ( 0.0671971 0.1163888 0.0961538), wk = 0.0045977 527 k( 265) = ( 0.0654288 0.1133259 0.0961538), wk = 0.0045977 528 k( 266) = ( 0.0636604 0.1102631 0.0961538), wk = 0.0045977 529 k( 267) = ( 0.0618921 0.1072002 0.0961538), wk = 0.0045977 530 k( 268) = ( 0.0601237 0.1041373 0.0961538), wk = 0.0045977 531 k( 269) = ( 0.0583554 0.1010745 0.0961538), wk = 0.0045977 532 k( 270) = ( 0.0565870 0.0980116 0.0961538), wk = 0.0045977 533 k( 271) = ( 0.0548187 0.0949488 0.0961538), wk = 0.0045977 534 k( 272) = ( 0.0530503 0.0918859 0.0961538), wk = 0.0045977 535 k( 273) = ( 0.0512820 0.0888230 0.0961538), wk = 0.0045977 536 k( 274) = ( 0.0495137 0.0857602 0.0961538), wk = 0.0045977 537 k( 275) = ( 0.0477453 0.0826973 0.0961538), wk = 0.0045977 538 k( 276) = ( 0.0459770 0.0796344 0.0961538), wk = 0.0045977 539 k( 277) = ( 0.0442086 0.0765716 0.0961538), wk = 0.0045977 540 k( 278) = ( 0.0424403 0.0735087 0.0961538), wk = 0.0045977 541 k( 279) = ( 0.0406719 0.0704459 0.0961538), wk = 0.0045977 542 k( 280) = ( 0.0389036 0.0673830 0.0961538), wk = 0.0045977 543 k( 281) = ( 0.0371352 0.0643201 0.0961538), wk = 0.0045977 544 k( 282) = ( 0.0353669 0.0612573 0.0961538), wk = 0.0045977 545 k( 283) = ( 0.0335986 0.0581944 0.0961538), wk = 0.0045977 546 k( 284) = ( 0.0318302 0.0551315 0.0961538), wk = 0.0045977 547 k( 285) = ( 0.0300619 0.0520687 0.0961538), wk = 0.0045977 548 k( 286) = ( 0.0282935 0.0490058 0.0961538), wk = 0.0045977 549 k( 287) = ( 0.0265252 0.0459429 0.0961538), wk = 0.0045977 550 k( 288) = ( 0.0247568 0.0428801 0.0961538), wk = 0.0045977 551 k( 289) = ( 0.0229885 0.0398172 0.0961538), wk = 0.0045977 552 k( 290) = ( 0.0212201 0.0367544 0.0961538), wk = 0.0045977 553 k( 291) = ( 0.0194518 0.0336915 0.0961538), wk = 0.0045977 554 k( 292) = ( 0.0176834 0.0306286 0.0961538), wk = 0.0045977 555 k( 293) = ( 0.0159151 0.0275658 0.0961538), wk = 0.0045977 556 k( 294) = ( 0.0141468 0.0245029 0.0961538), wk = 0.0045977 557 k( 295) = ( 0.0123784 0.0214400 0.0961538), wk = 0.0045977 558 k( 296) = ( 0.0106101 0.0183772 0.0961538), wk = 0.0045977 559 k( 297) = ( 0.0088417 0.0153143 0.0961538), wk = 0.0045977 560 k( 298) = ( 0.0070734 0.0122515 0.0961538), wk = 0.0045977 561 k( 299) = ( 0.0053050 0.0091886 0.0961538), wk = 0.0045977 562 k( 300) = ( 0.0035367 0.0061257 0.0961538), wk = 0.0045977 563 k( 301) = ( 0.0017683 0.0030629 0.0961538), wk = 0.0045977 564 k( 302) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0045977 565 k( 303) = ( 0.0030769 0.0017765 0.0961538), wk = 0.0045977 566 k( 304) = ( 0.0061538 0.0035529 0.0961538), wk = 0.0045977 567 k( 305) = ( 0.0092308 0.0053294 0.0961538), wk = 0.0045977 568 k( 306) = ( 0.0123077 0.0071058 0.0961538), wk = 0.0045977 569 k( 307) = ( 0.0153846 0.0088823 0.0961538), wk = 0.0045977 570 k( 308) = ( 0.0184615 0.0106588 0.0961538), wk = 0.0045977 571 k( 309) = ( 0.0215385 0.0124352 0.0961538), wk = 0.0045977 572 k( 310) = ( 0.0246154 0.0142117 0.0961538), wk = 0.0045977 573 k( 311) = ( 0.0276923 0.0159882 0.0961538), wk = 0.0045977 574 k( 312) = ( 0.0307692 0.0177646 0.0961538), wk = 0.0045977 575 k( 313) = ( 0.0338462 0.0195411 0.0961538), wk = 0.0045977 576 k( 314) = ( 0.0369231 0.0213175 0.0961538), wk = 0.0045977 577 k( 315) = ( 0.0400000 0.0230940 0.0961538), wk = 0.0045977 578 k( 316) = ( 0.0430769 0.0248705 0.0961538), wk = 0.0045977 579 k( 317) = ( 0.0461538 0.0266469 0.0961538), wk = 0.0045977 580 k( 318) = ( 0.0492308 0.0284234 0.0961538), wk = 0.0045977 581 k( 319) = ( 0.0523077 0.0301999 0.0961538), wk = 0.0045977 582 k( 320) = ( 0.0553846 0.0319763 0.0961538), wk = 0.0045977 583 k( 321) = ( 0.0584615 0.0337528 0.0961538), wk = 0.0045977 584 k( 322) = ( 0.0615385 0.0355292 0.0961538), wk = 0.0045977 585 k( 323) = ( 0.0646154 0.0373057 0.0961538), wk = 0.0045977 586 k( 324) = ( 0.0676923 0.0390822 0.0961538), wk = 0.0045977 587 k( 325) = ( 0.0707692 0.0408586 0.0961538), wk = 0.0045977 588 k( 326) = ( 0.0738462 0.0426351 0.0961538), wk = 0.0045977 589 k( 327) = ( 0.0769231 0.0444116 0.0961538), wk = 0.0045977 590 k( 328) = ( 0.0800000 0.0461880 0.0961538), wk = 0.0045977 591 k( 329) = ( 0.0830769 0.0479645 0.0961538), wk = 0.0045977 592 k( 330) = ( 0.0861538 0.0497409 0.0961538), wk = 0.0045977 593 k( 331) = ( 0.0892308 0.0515174 0.0961538), wk = 0.0045977 594 k( 332) = ( 0.0923077 0.0532939 0.0961538), wk = 0.0045977 595 k( 333) = ( 0.0953846 0.0550703 0.0961538), wk = 0.0045977 596 k( 334) = ( 0.0984615 0.0568468 0.0961538), wk = 0.0045977 597 k( 335) = ( 0.1015385 0.0586233 0.0961538), wk = 0.0045977 598 k( 336) = ( 0.1046154 0.0603997 0.0961538), wk = 0.0045977 599 k( 337) = ( 0.1076923 0.0621762 0.0961538), wk = 0.0045977 600 k( 338) = ( 0.1107692 0.0639526 0.0961538), wk = 0.0045977 601 k( 339) = ( 0.1138462 0.0657291 0.0961538), wk = 0.0045977 602 k( 340) = ( 0.1169231 0.0675056 0.0961538), wk = 0.0045977 603 k( 341) = ( 0.1200000 0.0692820 0.0961538), wk = 0.0045977 604 k( 342) = ( 0.1230769 0.0710585 0.0961538), wk = 0.0045977 605 k( 343) = ( 0.1261538 0.0728350 0.0961538), wk = 0.0045977 606 k( 344) = ( 0.1292308 0.0746114 0.0961538), wk = 0.0045977 607 k( 345) = ( 0.1323077 0.0763879 0.0961538), wk = 0.0045977 608 k( 346) = ( 0.1353846 0.0781643 0.0961538), wk = 0.0045977 609 k( 347) = ( 0.1384615 0.0799408 0.0961538), wk = 0.0045977 610 k( 348) = ( 0.1415385 0.0817173 0.0961538), wk = 0.0045977 611 k( 349) = ( 0.1446154 0.0834937 0.0961538), wk = 0.0045977 612 k( 350) = ( 0.1476923 0.0852702 0.0961538), wk = 0.0045977 613 k( 351) = ( 0.1507692 0.0870467 0.0961538), wk = 0.0045977 614 k( 352) = ( 0.1538462 0.0888231 0.0961538), wk = 0.0045977 615 k( 353) = ( 0.1538462 0.0888231 0.0925926), wk = 0.0045977 616 k( 354) = ( 0.1538462 0.0888231 0.0890313), wk = 0.0045977 617 k( 355) = ( 0.1538462 0.0888231 0.0854701), wk = 0.0045977 618 k( 356) = ( 0.1538462 0.0888231 0.0819088), wk = 0.0045977 619 k( 357) = ( 0.1538462 0.0888231 0.0783476), wk = 0.0045977 620 k( 358) = ( 0.1538462 0.0888231 0.0747863), wk = 0.0045977 621 k( 359) = ( 0.1538462 0.0888231 0.0712251), wk = 0.0045977 622 k( 360) = ( 0.1538462 0.0888231 0.0676638), wk = 0.0045977 623 k( 361) = ( 0.1538462 0.0888231 0.0641026), wk = 0.0045977 624 k( 362) = ( 0.1538462 0.0888231 0.0605413), wk = 0.0045977 625 k( 363) = ( 0.1538462 0.0888231 0.0569801), wk = 0.0045977 626 k( 364) = ( 0.1538462 0.0888231 0.0534188), wk = 0.0045977 627 k( 365) = ( 0.1538462 0.0888231 0.0498575), wk = 0.0045977 628 k( 366) = ( 0.1538462 0.0888231 0.0462963), wk = 0.0045977 629 k( 367) = ( 0.1538462 0.0888231 0.0427350), wk = 0.0045977 630 k( 368) = ( 0.1538462 0.0888231 0.0391738), wk = 0.0045977 631 k( 369) = ( 0.1538462 0.0888231 0.0356125), wk = 0.0045977 632 k( 370) = ( 0.1538462 0.0888231 0.0320513), wk = 0.0045977 633 k( 371) = ( 0.1538462 0.0888231 0.0284900), wk = 0.0045977 634 k( 372) = ( 0.1538462 0.0888231 0.0249288), wk = 0.0045977 635 k( 373) = ( 0.1538462 0.0888231 0.0213675), wk = 0.0045977 636 k( 374) = ( 0.1538462 0.0888231 0.0178063), wk = 0.0045977 637 k( 375) = ( 0.1538462 0.0888231 0.0142450), wk = 0.0045977 638 k( 376) = ( 0.1538462 0.0888231 0.0106838), wk = 0.0045977 639 k( 377) = ( 0.1538462 0.0888231 0.0071225), wk = 0.0045977 640 k( 378) = ( 0.1538462 0.0888231 0.0035613), wk = 0.0045977 641 k( 379) = ( 0.1538462 0.0888231 0.0000000), wk = 0.0045977 642 k( 380) = ( 0.1520778 0.0918860 0.0000000), wk = 0.0045977 643 k( 381) = ( 0.1503095 0.0949488 0.0000000), wk = 0.0045977 644 k( 382) = ( 0.1485411 0.0980117 0.0000000), wk = 0.0045977 645 k( 383) = ( 0.1467728 0.1010746 0.0000000), wk = 0.0045977 646 k( 384) = ( 0.1450044 0.1041374 0.0000000), wk = 0.0045977 647 k( 385) = ( 0.1432361 0.1072003 0.0000000), wk = 0.0045977 648 k( 386) = ( 0.1414677 0.1102631 0.0000000), wk = 0.0045977 649 k( 387) = ( 0.1396994 0.1133260 0.0000000), wk = 0.0045977 650 k( 388) = ( 0.1379310 0.1163889 0.0000000), wk = 0.0045977 651 k( 389) = ( 0.1361627 0.1194517 0.0000000), wk = 0.0045977 652 k( 390) = ( 0.1343943 0.1225146 0.0000000), wk = 0.0045977 653 k( 391) = ( 0.1326260 0.1255774 0.0000000), wk = 0.0045977 654 k( 392) = ( 0.1308576 0.1286403 0.0000000), wk = 0.0045977 655 k( 393) = ( 0.1290893 0.1317032 0.0000000), wk = 0.0045977 656 k( 394) = ( 0.1273209 0.1347660 0.0000000), wk = 0.0045977 657 k( 395) = ( 0.1255526 0.1378289 0.0000000), wk = 0.0045977 658 k( 396) = ( 0.1237842 0.1408917 0.0000000), wk = 0.0045977 659 k( 397) = ( 0.1220159 0.1439546 0.0000000), wk = 0.0045977 660 k( 398) = ( 0.1202475 0.1470175 0.0000000), wk = 0.0045977 661 k( 399) = ( 0.1184792 0.1500803 0.0000000), wk = 0.0045977 662 k( 400) = ( 0.1167108 0.1531432 0.0000000), wk = 0.0045977 663 k( 401) = ( 0.1149425 0.1562060 0.0000000), wk = 0.0045977 664 k( 402) = ( 0.1131741 0.1592689 0.0000000), wk = 0.0045977 665 k( 403) = ( 0.1114058 0.1623318 0.0000000), wk = 0.0045977 666 k( 404) = ( 0.1096374 0.1653946 0.0000000), wk = 0.0045977 667 k( 405) = ( 0.1078691 0.1684575 0.0000000), wk = 0.0045977 668 k( 406) = ( 0.1061007 0.1715203 0.0000000), wk = 0.0045977 669 k( 407) = ( 0.1043324 0.1745832 0.0000000), wk = 0.0045977 670 k( 408) = ( 0.1025640 0.1776461 0.0000000), wk = 0.0045977 671 k( 409) = ( 0.1025640 0.1776461 0.0035613), wk = 0.0045977 672 k( 410) = ( 0.1025640 0.1776461 0.0071225), wk = 0.0045977 673 k( 411) = ( 0.1025640 0.1776461 0.0106838), wk = 0.0045977 674 k( 412) = ( 0.1025640 0.1776461 0.0142450), wk = 0.0045977 675 k( 413) = ( 0.1025640 0.1776461 0.0178063), wk = 0.0045977 676 k( 414) = ( 0.1025640 0.1776461 0.0213675), wk = 0.0045977 677 k( 415) = ( 0.1025640 0.1776461 0.0249288), wk = 0.0045977 678 k( 416) = ( 0.1025640 0.1776461 0.0284900), wk = 0.0045977 679 k( 417) = ( 0.1025640 0.1776461 0.0320513), wk = 0.0045977 680 k( 418) = ( 0.1025640 0.1776461 0.0356125), wk = 0.0045977 681 k( 419) = ( 0.1025640 0.1776461 0.0391738), wk = 0.0045977 682 k( 420) = ( 0.1025640 0.1776461 0.0427350), wk = 0.0045977 683 k( 421) = ( 0.1025640 0.1776461 0.0462963), wk = 0.0045977 684 k( 422) = ( 0.1025640 0.1776461 0.0498575), wk = 0.0045977 685 k( 423) = ( 0.1025640 0.1776461 0.0534188), wk = 0.0045977 686 k( 424) = ( 0.1025640 0.1776461 0.0569801), wk = 0.0045977 687 k( 425) = ( 0.1025640 0.1776461 0.0605413), wk = 0.0045977 688 k( 426) = ( 0.1025640 0.1776461 0.0641026), wk = 0.0045977 689 k( 427) = ( 0.1025640 0.1776461 0.0676638), wk = 0.0045977 690 k( 428) = ( 0.1025640 0.1776461 0.0712251), wk = 0.0045977 691 k( 429) = ( 0.1025640 0.1776461 0.0747863), wk = 0.0045977 692 k( 430) = ( 0.1025640 0.1776461 0.0783476), wk = 0.0045977 693 k( 431) = ( 0.1025640 0.1776461 0.0819088), wk = 0.0045977 694 k( 432) = ( 0.1025640 0.1776461 0.0854701), wk = 0.0045977 695 k( 433) = ( 0.1025640 0.1776461 0.0890313), wk = 0.0045977 696 k( 434) = ( 0.1025640 0.1776461 0.0925926), wk = 0.0045977 697 k( 435) = ( 0.1025640 0.1776461 0.0961538), wk = 0.0045977 698 699 cryst. coord. 700 k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045977 701 k( 2) = ( 0.0100000 0.0000000 0.0000000), wk = 0.0045977 702 k( 3) = ( 0.0200000 0.0000000 0.0000000), wk = 0.0045977 703 k( 4) = ( 0.0300000 0.0000000 0.0000000), wk = 0.0045977 704 k( 5) = ( 0.0400000 0.0000000 0.0000000), wk = 0.0045977 705 k( 6) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0045977 706 k( 7) = ( 0.0600000 0.0000000 0.0000000), wk = 0.0045977 707 k( 8) = ( 0.0700000 0.0000000 0.0000000), wk = 0.0045977 708 k( 9) = ( 0.0800000 0.0000000 0.0000000), wk = 0.0045977 709 k( 10) = ( 0.0900000 0.0000000 0.0000000), wk = 0.0045977 710 k( 11) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0045977 711 k( 12) = ( 0.1100000 0.0000000 0.0000000), wk = 0.0045977 712 k( 13) = ( 0.1200000 0.0000000 0.0000000), wk = 0.0045977 713 k( 14) = ( 0.1300000 0.0000000 0.0000000), wk = 0.0045977 714 k( 15) = ( 0.1400000 0.0000000 0.0000000), wk = 0.0045977 715 k( 16) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0045977 716 k( 17) = ( 0.1600000 0.0000000 0.0000000), wk = 0.0045977 717 k( 18) = ( 0.1700000 0.0000000 0.0000000), wk = 0.0045977 718 k( 19) = ( 0.1800000 0.0000000 0.0000000), wk = 0.0045977 719 k( 20) = ( 0.1900000 0.0000000 0.0000000), wk = 0.0045977 720 k( 21) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0045977 721 k( 22) = ( 0.2100000 0.0000000 0.0000000), wk = 0.0045977 722 k( 23) = ( 0.2200000 0.0000000 0.0000000), wk = 0.0045977 723 k( 24) = ( 0.2300000 0.0000000 0.0000000), wk = 0.0045977 724 k( 25) = ( 0.2400000 0.0000000 0.0000000), wk = 0.0045977 725 k( 26) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0045977 726 k( 27) = ( 0.2600000 0.0000000 0.0000000), wk = 0.0045977 727 k( 28) = ( 0.2700000 0.0000000 0.0000000), wk = 0.0045977 728 k( 29) = ( 0.2800000 0.0000000 0.0000000), wk = 0.0045977 729 k( 30) = ( 0.2900000 0.0000000 0.0000000), wk = 0.0045977 730 k( 31) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0045977 731 k( 32) = ( 0.3100000 0.0000000 0.0000000), wk = 0.0045977 732 k( 33) = ( 0.3200000 0.0000000 0.0000000), wk = 0.0045977 733 k( 34) = ( 0.3300000 0.0000000 0.0000000), wk = 0.0045977 734 k( 35) = ( 0.3400000 0.0000000 0.0000000), wk = 0.0045977 735 k( 36) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0045977 736 k( 37) = ( 0.3600000 0.0000000 0.0000000), wk = 0.0045977 737 k( 38) = ( 0.3700000 0.0000000 0.0000000), wk = 0.0045977 738 k( 39) = ( 0.3800000 0.0000000 0.0000000), wk = 0.0045977 739 k( 40) = ( 0.3900000 0.0000000 0.0000000), wk = 0.0045977 740 k( 41) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0045977 741 k( 42) = ( 0.4100000 0.0000000 0.0000000), wk = 0.0045977 742 k( 43) = ( 0.4200000 0.0000000 0.0000000), wk = 0.0045977 743 k( 44) = ( 0.4300000 0.0000000 0.0000000), wk = 0.0045977 744 k( 45) = ( 0.4400000 0.0000000 0.0000000), wk = 0.0045977 745 k( 46) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0045977 746 k( 47) = ( 0.4600000 0.0000000 0.0000000), wk = 0.0045977 747 k( 48) = ( 0.4700000 0.0000000 0.0000000), wk = 0.0045977 748 k( 49) = ( 0.4800000 0.0000000 0.0000000), wk = 0.0045977 749 k( 50) = ( 0.4900000 0.0000000 0.0000000), wk = 0.0045977 750 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0045977 751 k( 52) = ( 0.4942529 0.0114942 0.0000000), wk = 0.0045977 752 k( 53) = ( 0.4885057 0.0229885 0.0000000), wk = 0.0045977 753 k( 54) = ( 0.4827586 0.0344827 0.0000000), wk = 0.0045977 754 k( 55) = ( 0.4770114 0.0459770 0.0000000), wk = 0.0045977 755 k( 56) = ( 0.4712643 0.0574712 0.0000000), wk = 0.0045977 756 k( 57) = ( 0.4655172 0.0689654 0.0000000), wk = 0.0045977 757 k( 58) = ( 0.4597700 0.0804597 0.0000000), wk = 0.0045977 758 k( 59) = ( 0.4540229 0.0919539 0.0000000), wk = 0.0045977 759 k( 60) = ( 0.4482758 0.1034482 0.0000000), wk = 0.0045977 760 k( 61) = ( 0.4425286 0.1149424 0.0000000), wk = 0.0045977 761 k( 62) = ( 0.4367815 0.1264367 0.0000000), wk = 0.0045977 762 k( 63) = ( 0.4310343 0.1379309 0.0000000), wk = 0.0045977 763 k( 64) = ( 0.4252872 0.1494251 0.0000000), wk = 0.0045977 764 k( 65) = ( 0.4195401 0.1609194 0.0000000), wk = 0.0045977 765 k( 66) = ( 0.4137929 0.1724136 0.0000000), wk = 0.0045977 766 k( 67) = ( 0.4080458 0.1839079 0.0000000), wk = 0.0045977 767 k( 68) = ( 0.4022987 0.1954021 0.0000000), wk = 0.0045977 768 k( 69) = ( 0.3965515 0.2068963 0.0000000), wk = 0.0045977 769 k( 70) = ( 0.3908044 0.2183906 0.0000000), wk = 0.0045977 770 k( 71) = ( 0.3850572 0.2298848 0.0000000), wk = 0.0045977 771 k( 72) = ( 0.3793101 0.2413791 0.0000000), wk = 0.0045977 772 k( 73) = ( 0.3735630 0.2528733 0.0000000), wk = 0.0045977 773 k( 74) = ( 0.3678158 0.2643676 0.0000000), wk = 0.0045977 774 k( 75) = ( 0.3620687 0.2758618 0.0000000), wk = 0.0045977 775 k( 76) = ( 0.3563216 0.2873560 0.0000000), wk = 0.0045977 776 k( 77) = ( 0.3505744 0.2988503 0.0000000), wk = 0.0045977 777 k( 78) = ( 0.3448273 0.3103445 0.0000000), wk = 0.0045977 778 k( 79) = ( 0.3390801 0.3218388 0.0000000), wk = 0.0045977 779 k( 80) = ( 0.3333330 0.3333330 0.0000000), wk = 0.0045977 780 k( 81) = ( 0.3275859 0.3275859 0.0000000), wk = 0.0045977 781 k( 82) = ( 0.3218388 0.3218388 0.0000000), wk = 0.0045977 782 k( 83) = ( 0.3160916 0.3160916 0.0000000), wk = 0.0045977 783 k( 84) = ( 0.3103445 0.3103445 0.0000000), wk = 0.0045977 784 k( 85) = ( 0.3045974 0.3045974 0.0000000), wk = 0.0045977 785 k( 86) = ( 0.2988503 0.2988503 0.0000000), wk = 0.0045977 786 k( 87) = ( 0.2931032 0.2931032 0.0000000), wk = 0.0045977 787 k( 88) = ( 0.2873560 0.2873560 0.0000000), wk = 0.0045977 788 k( 89) = ( 0.2816089 0.2816089 0.0000000), wk = 0.0045977 789 k( 90) = ( 0.2758618 0.2758618 0.0000000), wk = 0.0045977 790 k( 91) = ( 0.2701147 0.2701147 0.0000000), wk = 0.0045977 791 k( 92) = ( 0.2643676 0.2643676 0.0000000), wk = 0.0045977 792 k( 93) = ( 0.2586204 0.2586204 0.0000000), wk = 0.0045977 793 k( 94) = ( 0.2528733 0.2528733 0.0000000), wk = 0.0045977 794 k( 95) = ( 0.2471262 0.2471262 0.0000000), wk = 0.0045977 795 k( 96) = ( 0.2413791 0.2413791 0.0000000), wk = 0.0045977 796 k( 97) = ( 0.2356319 0.2356319 0.0000000), wk = 0.0045977 797 k( 98) = ( 0.2298848 0.2298848 0.0000000), wk = 0.0045977 798 k( 99) = ( 0.2241377 0.2241377 0.0000000), wk = 0.0045977 799 k( 100) = ( 0.2183906 0.2183906 0.0000000), wk = 0.0045977 800 k( 101) = ( 0.2126435 0.2126435 0.0000000), wk = 0.0045977 801 k( 102) = ( 0.2068963 0.2068963 0.0000000), wk = 0.0045977 802 k( 103) = ( 0.2011492 0.2011492 0.0000000), wk = 0.0045977 803 k( 104) = ( 0.1954021 0.1954021 0.0000000), wk = 0.0045977 804 k( 105) = ( 0.1896550 0.1896550 0.0000000), wk = 0.0045977 805 k( 106) = ( 0.1839079 0.1839079 0.0000000), wk = 0.0045977 806 k( 107) = ( 0.1781607 0.1781607 0.0000000), wk = 0.0045977 807 k( 108) = ( 0.1724136 0.1724136 0.0000000), wk = 0.0045977 808 k( 109) = ( 0.1666665 0.1666665 0.0000000), wk = 0.0045977 809 k( 110) = ( 0.1609194 0.1609194 0.0000000), wk = 0.0045977 810 k( 111) = ( 0.1551723 0.1551723 0.0000000), wk = 0.0045977 811 k( 112) = ( 0.1494251 0.1494251 0.0000000), wk = 0.0045977 812 k( 113) = ( 0.1436780 0.1436780 0.0000000), wk = 0.0045977 813 k( 114) = ( 0.1379309 0.1379309 0.0000000), wk = 0.0045977 814 k( 115) = ( 0.1321838 0.1321838 0.0000000), wk = 0.0045977 815 k( 116) = ( 0.1264367 0.1264367 0.0000000), wk = 0.0045977 816 k( 117) = ( 0.1206895 0.1206895 0.0000000), wk = 0.0045977 817 k( 118) = ( 0.1149424 0.1149424 0.0000000), wk = 0.0045977 818 k( 119) = ( 0.1091953 0.1091953 0.0000000), wk = 0.0045977 819 k( 120) = ( 0.1034482 0.1034482 0.0000000), wk = 0.0045977 820 k( 121) = ( 0.0977011 0.0977011 0.0000000), wk = 0.0045977 821 k( 122) = ( 0.0919539 0.0919539 0.0000000), wk = 0.0045977 822 k( 123) = ( 0.0862068 0.0862068 0.0000000), wk = 0.0045977 823 k( 124) = ( 0.0804597 0.0804597 0.0000000), wk = 0.0045977 824 k( 125) = ( 0.0747126 0.0747126 0.0000000), wk = 0.0045977 825 k( 126) = ( 0.0689654 0.0689654 0.0000000), wk = 0.0045977 826 k( 127) = ( 0.0632183 0.0632183 0.0000000), wk = 0.0045977 827 k( 128) = ( 0.0574712 0.0574712 0.0000000), wk = 0.0045977 828 k( 129) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0045977 829 k( 130) = ( 0.0459770 0.0459770 0.0000000), wk = 0.0045977 830 k( 131) = ( 0.0402298 0.0402298 0.0000000), wk = 0.0045977 831 k( 132) = ( 0.0344827 0.0344827 0.0000000), wk = 0.0045977 832 k( 133) = ( 0.0287356 0.0287356 0.0000000), wk = 0.0045977 833 k( 134) = ( 0.0229885 0.0229885 0.0000000), wk = 0.0045977 834 k( 135) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0045977 835 k( 136) = ( 0.0114942 0.0114942 0.0000000), wk = 0.0045977 836 k( 137) = ( 0.0057471 0.0057471 0.0000000), wk = 0.0045977 837 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045977 838 k( 139) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0045977 839 k( 140) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0045977 840 k( 141) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0045977 841 k( 142) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0045977 842 k( 143) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0045977 843 k( 144) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0045977 844 k( 145) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0045977 845 k( 146) = ( 0.0000000 0.0000000 0.1481481), wk = 0.0045977 846 k( 147) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0045977 847 k( 148) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0045977 848 k( 149) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0045977 849 k( 150) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0045977 850 k( 151) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0045977 851 k( 152) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0045977 852 k( 153) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0045977 853 k( 154) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0045977 854 k( 155) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0045977 855 k( 156) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0045977 856 k( 157) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0045977 857 k( 158) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0045977 858 k( 159) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0045977 859 k( 160) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0045977 860 k( 161) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0045977 861 k( 162) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0045977 862 k( 163) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0045977 863 k( 164) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0045977 864 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045977 865 k( 166) = ( 0.0100000 0.0000000 0.5000000), wk = 0.0045977 866 k( 167) = ( 0.0200000 0.0000000 0.5000000), wk = 0.0045977 867 k( 168) = ( 0.0300000 0.0000000 0.5000000), wk = 0.0045977 868 k( 169) = ( 0.0400000 0.0000000 0.5000000), wk = 0.0045977 869 k( 170) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0045977 870 k( 171) = ( 0.0600000 0.0000000 0.5000000), wk = 0.0045977 871 k( 172) = ( 0.0700000 0.0000000 0.5000000), wk = 0.0045977 872 k( 173) = ( 0.0800000 0.0000000 0.5000000), wk = 0.0045977 873 k( 174) = ( 0.0900000 0.0000000 0.5000000), wk = 0.0045977 874 k( 175) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0045977 875 k( 176) = ( 0.1100000 0.0000000 0.5000000), wk = 0.0045977 876 k( 177) = ( 0.1200000 0.0000000 0.5000000), wk = 0.0045977 877 k( 178) = ( 0.1300000 0.0000000 0.5000000), wk = 0.0045977 878 k( 179) = ( 0.1400000 0.0000000 0.5000000), wk = 0.0045977 879 k( 180) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0045977 880 k( 181) = ( 0.1600000 0.0000000 0.5000000), wk = 0.0045977 881 k( 182) = ( 0.1700000 0.0000000 0.5000000), wk = 0.0045977 882 k( 183) = ( 0.1800000 0.0000000 0.5000000), wk = 0.0045977 883 k( 184) = ( 0.1900000 0.0000000 0.5000000), wk = 0.0045977 884 k( 185) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0045977 885 k( 186) = ( 0.2100000 0.0000000 0.5000000), wk = 0.0045977 886 k( 187) = ( 0.2200000 0.0000000 0.5000000), wk = 0.0045977 887 k( 188) = ( 0.2300000 0.0000000 0.5000000), wk = 0.0045977 888 k( 189) = ( 0.2400000 0.0000000 0.5000000), wk = 0.0045977 889 k( 190) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0045977 890 k( 191) = ( 0.2600000 0.0000000 0.5000000), wk = 0.0045977 891 k( 192) = ( 0.2700000 0.0000000 0.5000000), wk = 0.0045977 892 k( 193) = ( 0.2800000 0.0000000 0.5000000), wk = 0.0045977 893 k( 194) = ( 0.2900000 0.0000000 0.5000000), wk = 0.0045977 894 k( 195) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0045977 895 k( 196) = ( 0.3100000 0.0000000 0.5000000), wk = 0.0045977 896 k( 197) = ( 0.3200000 0.0000000 0.5000000), wk = 0.0045977 897 k( 198) = ( 0.3300000 0.0000000 0.5000000), wk = 0.0045977 898 k( 199) = ( 0.3400000 0.0000000 0.5000000), wk = 0.0045977 899 k( 200) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0045977 900 k( 201) = ( 0.3600000 0.0000000 0.5000000), wk = 0.0045977 901 k( 202) = ( 0.3700000 0.0000000 0.5000000), wk = 0.0045977 902 k( 203) = ( 0.3800000 0.0000000 0.5000000), wk = 0.0045977 903 k( 204) = ( 0.3900000 0.0000000 0.5000000), wk = 0.0045977 904 k( 205) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0045977 905 k( 206) = ( 0.4100000 0.0000000 0.5000000), wk = 0.0045977 906 k( 207) = ( 0.4200000 0.0000000 0.5000000), wk = 0.0045977 907 k( 208) = ( 0.4300000 0.0000000 0.5000000), wk = 0.0045977 908 k( 209) = ( 0.4400000 0.0000000 0.5000000), wk = 0.0045977 909 k( 210) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0045977 910 k( 211) = ( 0.4600000 0.0000000 0.5000000), wk = 0.0045977 911 k( 212) = ( 0.4700000 0.0000000 0.5000000), wk = 0.0045977 912 k( 213) = ( 0.4800000 0.0000000 0.5000000), wk = 0.0045977 913 k( 214) = ( 0.4900000 0.0000000 0.5000000), wk = 0.0045977 914 k( 215) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0045977 915 k( 216) = ( 0.4942529 0.0114942 0.5000000), wk = 0.0045977 916 k( 217) = ( 0.4885057 0.0229885 0.5000000), wk = 0.0045977 917 k( 218) = ( 0.4827586 0.0344827 0.5000000), wk = 0.0045977 918 k( 219) = ( 0.4770114 0.0459770 0.5000000), wk = 0.0045977 919 k( 220) = ( 0.4712643 0.0574712 0.5000000), wk = 0.0045977 920 k( 221) = ( 0.4655172 0.0689654 0.5000000), wk = 0.0045977 921 k( 222) = ( 0.4597700 0.0804597 0.5000000), wk = 0.0045977 922 k( 223) = ( 0.4540229 0.0919539 0.5000000), wk = 0.0045977 923 k( 224) = ( 0.4482758 0.1034482 0.5000000), wk = 0.0045977 924 k( 225) = ( 0.4425286 0.1149424 0.5000000), wk = 0.0045977 925 k( 226) = ( 0.4367815 0.1264367 0.5000000), wk = 0.0045977 926 k( 227) = ( 0.4310343 0.1379309 0.5000000), wk = 0.0045977 927 k( 228) = ( 0.4252872 0.1494251 0.5000000), wk = 0.0045977 928 k( 229) = ( 0.4195401 0.1609194 0.5000000), wk = 0.0045977 929 k( 230) = ( 0.4137929 0.1724136 0.5000000), wk = 0.0045977 930 k( 231) = ( 0.4080458 0.1839079 0.5000000), wk = 0.0045977 931 k( 232) = ( 0.4022987 0.1954021 0.5000000), wk = 0.0045977 932 k( 233) = ( 0.3965515 0.2068963 0.5000000), wk = 0.0045977 933 k( 234) = ( 0.3908044 0.2183906 0.5000000), wk = 0.0045977 934 k( 235) = ( 0.3850572 0.2298848 0.5000000), wk = 0.0045977 935 k( 236) = ( 0.3793101 0.2413791 0.5000000), wk = 0.0045977 936 k( 237) = ( 0.3735630 0.2528733 0.5000000), wk = 0.0045977 937 k( 238) = ( 0.3678158 0.2643676 0.5000000), wk = 0.0045977 938 k( 239) = ( 0.3620687 0.2758618 0.5000000), wk = 0.0045977 939 k( 240) = ( 0.3563216 0.2873560 0.5000000), wk = 0.0045977 940 k( 241) = ( 0.3505744 0.2988503 0.5000000), wk = 0.0045977 941 k( 242) = ( 0.3448273 0.3103445 0.5000000), wk = 0.0045977 942 k( 243) = ( 0.3390801 0.3218388 0.5000000), wk = 0.0045977 943 k( 244) = ( 0.3333330 0.3333330 0.5000000), wk = 0.0045977 944 k( 245) = ( 0.3275859 0.3275859 0.5000000), wk = 0.0045977 945 k( 246) = ( 0.3218388 0.3218388 0.5000000), wk = 0.0045977 946 k( 247) = ( 0.3160916 0.3160916 0.5000000), wk = 0.0045977 947 k( 248) = ( 0.3103445 0.3103445 0.5000000), wk = 0.0045977 948 k( 249) = ( 0.3045974 0.3045974 0.5000000), wk = 0.0045977 949 k( 250) = ( 0.2988503 0.2988503 0.5000000), wk = 0.0045977 950 k( 251) = ( 0.2931032 0.2931032 0.5000000), wk = 0.0045977 951 k( 252) = ( 0.2873560 0.2873560 0.5000000), wk = 0.0045977 952 k( 253) = ( 0.2816089 0.2816089 0.5000000), wk = 0.0045977 953 k( 254) = ( 0.2758618 0.2758618 0.5000000), wk = 0.0045977 954 k( 255) = ( 0.2701147 0.2701147 0.5000000), wk = 0.0045977 955 k( 256) = ( 0.2643676 0.2643676 0.5000000), wk = 0.0045977 956 k( 257) = ( 0.2586204 0.2586204 0.5000000), wk = 0.0045977 957 k( 258) = ( 0.2528733 0.2528733 0.5000000), wk = 0.0045977 958 k( 259) = ( 0.2471262 0.2471262 0.5000000), wk = 0.0045977 959 k( 260) = ( 0.2413791 0.2413791 0.5000000), wk = 0.0045977 960 k( 261) = ( 0.2356319 0.2356319 0.5000000), wk = 0.0045977 961 k( 262) = ( 0.2298848 0.2298848 0.5000000), wk = 0.0045977 962 k( 263) = ( 0.2241377 0.2241377 0.5000000), wk = 0.0045977 963 k( 264) = ( 0.2183906 0.2183906 0.5000000), wk = 0.0045977 964 k( 265) = ( 0.2126435 0.2126435 0.5000000), wk = 0.0045977 965 k( 266) = ( 0.2068963 0.2068963 0.5000000), wk = 0.0045977 966 k( 267) = ( 0.2011492 0.2011492 0.5000000), wk = 0.0045977 967 k( 268) = ( 0.1954021 0.1954021 0.5000000), wk = 0.0045977 968 k( 269) = ( 0.1896550 0.1896550 0.5000000), wk = 0.0045977 969 k( 270) = ( 0.1839079 0.1839079 0.5000000), wk = 0.0045977 970 k( 271) = ( 0.1781607 0.1781607 0.5000000), wk = 0.0045977 971 k( 272) = ( 0.1724136 0.1724136 0.5000000), wk = 0.0045977 972 k( 273) = ( 0.1666665 0.1666665 0.5000000), wk = 0.0045977 973 k( 274) = ( 0.1609194 0.1609194 0.5000000), wk = 0.0045977 974 k( 275) = ( 0.1551723 0.1551723 0.5000000), wk = 0.0045977 975 k( 276) = ( 0.1494251 0.1494251 0.5000000), wk = 0.0045977 976 k( 277) = ( 0.1436780 0.1436780 0.5000000), wk = 0.0045977 977 k( 278) = ( 0.1379309 0.1379309 0.5000000), wk = 0.0045977 978 k( 279) = ( 0.1321838 0.1321838 0.5000000), wk = 0.0045977 979 k( 280) = ( 0.1264367 0.1264367 0.5000000), wk = 0.0045977 980 k( 281) = ( 0.1206895 0.1206895 0.5000000), wk = 0.0045977 981 k( 282) = ( 0.1149424 0.1149424 0.5000000), wk = 0.0045977 982 k( 283) = ( 0.1091953 0.1091953 0.5000000), wk = 0.0045977 983 k( 284) = ( 0.1034482 0.1034482 0.5000000), wk = 0.0045977 984 k( 285) = ( 0.0977011 0.0977011 0.5000000), wk = 0.0045977 985 k( 286) = ( 0.0919539 0.0919539 0.5000000), wk = 0.0045977 986 k( 287) = ( 0.0862068 0.0862068 0.5000000), wk = 0.0045977 987 k( 288) = ( 0.0804597 0.0804597 0.5000000), wk = 0.0045977 988 k( 289) = ( 0.0747126 0.0747126 0.5000000), wk = 0.0045977 989 k( 290) = ( 0.0689654 0.0689654 0.5000000), wk = 0.0045977 990 k( 291) = ( 0.0632183 0.0632183 0.5000000), wk = 0.0045977 991 k( 292) = ( 0.0574712 0.0574712 0.5000000), wk = 0.0045977 992 k( 293) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0045977 993 k( 294) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0045977 994 k( 295) = ( 0.0402298 0.0402298 0.5000000), wk = 0.0045977 995 k( 296) = ( 0.0344827 0.0344827 0.5000000), wk = 0.0045977 996 k( 297) = ( 0.0287356 0.0287356 0.5000000), wk = 0.0045977 997 k( 298) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0045977 998 k( 299) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0045977 999 k( 300) = ( 0.0114942 0.0114942 0.5000000), wk = 0.0045977 1000 k( 301) = ( 0.0057471 0.0057471 0.5000000), wk = 0.0045977 1001 k( 302) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045977 1002 k( 303) = ( 0.0100000 0.0000000 0.5000000), wk = 0.0045977 1003 k( 304) = ( 0.0200000 0.0000000 0.5000000), wk = 0.0045977 1004 k( 305) = ( 0.0300000 0.0000000 0.5000000), wk = 0.0045977 1005 k( 306) = ( 0.0400000 0.0000000 0.5000000), wk = 0.0045977 1006 k( 307) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0045977 1007 k( 308) = ( 0.0600000 0.0000000 0.5000000), wk = 0.0045977 1008 k( 309) = ( 0.0700000 0.0000000 0.5000000), wk = 0.0045977 1009 k( 310) = ( 0.0800000 0.0000000 0.5000000), wk = 0.0045977 1010 k( 311) = ( 0.0900000 0.0000000 0.5000000), wk = 0.0045977 1011 k( 312) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0045977 1012 k( 313) = ( 0.1100000 0.0000000 0.5000000), wk = 0.0045977 1013 k( 314) = ( 0.1200000 0.0000000 0.5000000), wk = 0.0045977 1014 k( 315) = ( 0.1300000 0.0000000 0.5000000), wk = 0.0045977 1015 k( 316) = ( 0.1400000 0.0000000 0.5000000), wk = 0.0045977 1016 k( 317) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0045977 1017 k( 318) = ( 0.1600000 0.0000000 0.5000000), wk = 0.0045977 1018 k( 319) = ( 0.1700000 0.0000000 0.5000000), wk = 0.0045977 1019 k( 320) = ( 0.1800000 0.0000000 0.5000000), wk = 0.0045977 1020 k( 321) = ( 0.1900000 0.0000000 0.5000000), wk = 0.0045977 1021 k( 322) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0045977 1022 k( 323) = ( 0.2100000 0.0000000 0.5000000), wk = 0.0045977 1023 k( 324) = ( 0.2200000 0.0000000 0.5000000), wk = 0.0045977 1024 k( 325) = ( 0.2300000 0.0000000 0.5000000), wk = 0.0045977 1025 k( 326) = ( 0.2400000 0.0000000 0.5000000), wk = 0.0045977 1026 k( 327) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0045977 1027 k( 328) = ( 0.2600000 0.0000000 0.5000000), wk = 0.0045977 1028 k( 329) = ( 0.2700000 0.0000000 0.5000000), wk = 0.0045977 1029 k( 330) = ( 0.2800000 0.0000000 0.5000000), wk = 0.0045977 1030 k( 331) = ( 0.2900000 0.0000000 0.5000000), wk = 0.0045977 1031 k( 332) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0045977 1032 k( 333) = ( 0.3100000 0.0000000 0.5000000), wk = 0.0045977 1033 k( 334) = ( 0.3200000 0.0000000 0.5000000), wk = 0.0045977 1034 k( 335) = ( 0.3300000 0.0000000 0.5000000), wk = 0.0045977 1035 k( 336) = ( 0.3400000 0.0000000 0.5000000), wk = 0.0045977 1036 k( 337) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0045977 1037 k( 338) = ( 0.3600000 0.0000000 0.5000000), wk = 0.0045977 1038 k( 339) = ( 0.3700000 0.0000000 0.5000000), wk = 0.0045977 1039 k( 340) = ( 0.3800000 0.0000000 0.5000000), wk = 0.0045977 1040 k( 341) = ( 0.3900000 0.0000000 0.5000000), wk = 0.0045977 1041 k( 342) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0045977 1042 k( 343) = ( 0.4100000 0.0000000 0.5000000), wk = 0.0045977 1043 k( 344) = ( 0.4200000 0.0000000 0.5000000), wk = 0.0045977 1044 k( 345) = ( 0.4300000 0.0000000 0.5000000), wk = 0.0045977 1045 k( 346) = ( 0.4400000 0.0000000 0.5000000), wk = 0.0045977 1046 k( 347) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0045977 1047 k( 348) = ( 0.4600000 0.0000000 0.5000000), wk = 0.0045977 1048 k( 349) = ( 0.4700000 0.0000000 0.5000000), wk = 0.0045977 1049 k( 350) = ( 0.4800000 0.0000000 0.5000000), wk = 0.0045977 1050 k( 351) = ( 0.4900000 0.0000000 0.5000000), wk = 0.0045977 1051 k( 352) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0045977 1052 k( 353) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0045977 1053 k( 354) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0045977 1054 k( 355) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0045977 1055 k( 356) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0045977 1056 k( 357) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0045977 1057 k( 358) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0045977 1058 k( 359) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0045977 1059 k( 360) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0045977 1060 k( 361) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0045977 1061 k( 362) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0045977 1062 k( 363) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0045977 1063 k( 364) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0045977 1064 k( 365) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0045977 1065 k( 366) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0045977 1066 k( 367) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0045977 1067 k( 368) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0045977 1068 k( 369) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0045977 1069 k( 370) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0045977 1070 k( 371) = ( 0.5000000 0.0000000 0.1481481), wk = 0.0045977 1071 k( 372) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0045977 1072 k( 373) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0045977 1073 k( 374) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0045977 1074 k( 375) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0045977 1075 k( 376) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0045977 1076 k( 377) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0045977 1077 k( 378) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0045977 1078 k( 379) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0045977 1079 k( 380) = ( 0.4942529 0.0114942 0.0000000), wk = 0.0045977 1080 k( 381) = ( 0.4885057 0.0229885 0.0000000), wk = 0.0045977 1081 k( 382) = ( 0.4827586 0.0344827 0.0000000), wk = 0.0045977 1082 k( 383) = ( 0.4770114 0.0459770 0.0000000), wk = 0.0045977 1083 k( 384) = ( 0.4712643 0.0574712 0.0000000), wk = 0.0045977 1084 k( 385) = ( 0.4655172 0.0689654 0.0000000), wk = 0.0045977 1085 k( 386) = ( 0.4597700 0.0804597 0.0000000), wk = 0.0045977 1086 k( 387) = ( 0.4540229 0.0919539 0.0000000), wk = 0.0045977 1087 k( 388) = ( 0.4482758 0.1034482 0.0000000), wk = 0.0045977 1088 k( 389) = ( 0.4425286 0.1149424 0.0000000), wk = 0.0045977 1089 k( 390) = ( 0.4367815 0.1264367 0.0000000), wk = 0.0045977 1090 k( 391) = ( 0.4310343 0.1379309 0.0000000), wk = 0.0045977 1091 k( 392) = ( 0.4252872 0.1494251 0.0000000), wk = 0.0045977 1092 k( 393) = ( 0.4195401 0.1609194 0.0000000), wk = 0.0045977 1093 k( 394) = ( 0.4137929 0.1724136 0.0000000), wk = 0.0045977 1094 k( 395) = ( 0.4080458 0.1839079 0.0000000), wk = 0.0045977 1095 k( 396) = ( 0.4022987 0.1954021 0.0000000), wk = 0.0045977 1096 k( 397) = ( 0.3965515 0.2068963 0.0000000), wk = 0.0045977 1097 k( 398) = ( 0.3908044 0.2183906 0.0000000), wk = 0.0045977 1098 k( 399) = ( 0.3850572 0.2298848 0.0000000), wk = 0.0045977 1099 k( 400) = ( 0.3793101 0.2413791 0.0000000), wk = 0.0045977 1100 k( 401) = ( 0.3735630 0.2528733 0.0000000), wk = 0.0045977 1101 k( 402) = ( 0.3678158 0.2643676 0.0000000), wk = 0.0045977 1102 k( 403) = ( 0.3620687 0.2758618 0.0000000), wk = 0.0045977 1103 k( 404) = ( 0.3563216 0.2873560 0.0000000), wk = 0.0045977 1104 k( 405) = ( 0.3505744 0.2988503 0.0000000), wk = 0.0045977 1105 k( 406) = ( 0.3448273 0.3103445 0.0000000), wk = 0.0045977 1106 k( 407) = ( 0.3390801 0.3218388 0.0000000), wk = 0.0045977 1107 k( 408) = ( 0.3333330 0.3333330 0.0000000), wk = 0.0045977 1108 k( 409) = ( 0.3333330 0.3333330 0.0185185), wk = 0.0045977 1109 k( 410) = ( 0.3333330 0.3333330 0.0370370), wk = 0.0045977 1110 k( 411) = ( 0.3333330 0.3333330 0.0555556), wk = 0.0045977 1111 k( 412) = ( 0.3333330 0.3333330 0.0740741), wk = 0.0045977 1112 k( 413) = ( 0.3333330 0.3333330 0.0925926), wk = 0.0045977 1113 k( 414) = ( 0.3333330 0.3333330 0.1111111), wk = 0.0045977 1114 k( 415) = ( 0.3333330 0.3333330 0.1296296), wk = 0.0045977 1115 k( 416) = ( 0.3333330 0.3333330 0.1481481), wk = 0.0045977 1116 k( 417) = ( 0.3333330 0.3333330 0.1666667), wk = 0.0045977 1117 k( 418) = ( 0.3333330 0.3333330 0.1851852), wk = 0.0045977 1118 k( 419) = ( 0.3333330 0.3333330 0.2037037), wk = 0.0045977 1119 k( 420) = ( 0.3333330 0.3333330 0.2222222), wk = 0.0045977 1120 k( 421) = ( 0.3333330 0.3333330 0.2407407), wk = 0.0045977 1121 k( 422) = ( 0.3333330 0.3333330 0.2592593), wk = 0.0045977 1122 k( 423) = ( 0.3333330 0.3333330 0.2777778), wk = 0.0045977 1123 k( 424) = ( 0.3333330 0.3333330 0.2962963), wk = 0.0045977 1124 k( 425) = ( 0.3333330 0.3333330 0.3148148), wk = 0.0045977 1125 k( 426) = ( 0.3333330 0.3333330 0.3333333), wk = 0.0045977 1126 k( 427) = ( 0.3333330 0.3333330 0.3518519), wk = 0.0045977 1127 k( 428) = ( 0.3333330 0.3333330 0.3703704), wk = 0.0045977 1128 k( 429) = ( 0.3333330 0.3333330 0.3888889), wk = 0.0045977 1129 k( 430) = ( 0.3333330 0.3333330 0.4074074), wk = 0.0045977 1130 k( 431) = ( 0.3333330 0.3333330 0.4259259), wk = 0.0045977 1131 k( 432) = ( 0.3333330 0.3333330 0.4444444), wk = 0.0045977 1132 k( 433) = ( 0.3333330 0.3333330 0.4629630), wk = 0.0045977 1133 k( 434) = ( 0.3333330 0.3333330 0.4814815), wk = 0.0045977 1134 k( 435) = ( 0.3333330 0.3333330 0.5000000), wk = 0.0045977 1135 1136 Dense grid: 346889 G-vectors FFT dimensions: ( 80, 80, 128) 1137 1138 Largest allocated arrays est. size (Mb) dimensions 1139 Kohn-Sham Wavefunctions 8.63 Mb ( 10876, 52) 1140 NL pseudopotentials 1.66 Mb ( 10876, 10) 1141 Each V/rho on FFT grid 3.12 Mb ( 204800) 1142 Each G-vector array 0.66 Mb ( 86727) 1143 G-vector shells 0.11 Mb ( 14872) 1144 Largest temporary arrays est. size (Mb) dimensions 1145 Auxiliary wavefunctions 34.52 Mb ( 10876, 208) 1146 Each subspace H/S matrix 0.66 Mb ( 208, 208) 1147 Each <psi_i|beta_j> matrix 0.01 Mb ( 10, 52) 1148 writing wfc files to a dedicated directory 1149 1150 Check: negative/imaginary core charge= -0.000103 0.000000 1151 1152 The potential is recalculated from file : 1153 ./Zn2O2.save/charge-density.dat 1154 1155 Starting wfc are 34 randomized atomic wfcs 1156 1157 total cpu time spent up to now is 5.3 secs 1158 1159 per-process dynamical memory: 67.3 Mb 1160 1161 Band Structure Calculation 1162 Davidson diagonalization with overlap 1163 1164 Computing kpt #: 1 1165 total cpu time spent up to now is 61.6 secs 1166 1167 Computing kpt #: 2 1168 total cpu time spent up to now is 121.4 secs 1169 1170 Computing kpt #: 3 1171 total cpu time spent up to now is 181.2 secs 1172 1173 Computing kpt #: 4 1174 total cpu time spent up to now is 240.5 secs 1175 1176 Computing kpt #: 5 1177 total cpu time spent up to now is 300.4 secs 1178 1179 Computing kpt #: 6 1180 total cpu time spent up to now is 360.8 secs 1181 1182 Computing kpt #: 7 1183 total cpu time spent up to now is 422.0 secs 1184 1185 Computing kpt #: 8 1186 total cpu time spent up to now is 477.4 secs 1187 1188 Computing kpt #: 9 1189 total cpu time spent up to now is 531.9 secs 1190 1191 Computing kpt #: 10 1192 total cpu time spent up to now is 585.9 secs 1193 1194 Computing kpt #: 11 1195 total cpu time spent up to now is 641.0 secs 1196 1197 Computing kpt #: 12 1198 total cpu time spent up to now is 695.6 secs 1199 1200 Computing kpt #: 13 1201 total cpu time spent up to now is 739.5 secs 1202 1203 ethr = 1.92E-13, avg # of iterations = 24.7 1204 1205 total cpu time spent up to now is 739.6 secs 1206 1207 End of band structure calculation 1208 1209 k = 0.0000 0.0000 0.0000 band energies (ev): 1210 1211 -114.1639-114.1637 -68.8297 -68.8264 -68.8171 -68.8171 -68.8165 -68.8165 1212 -9.2949 -8.5166 2.7034 2.7034 2.7864 2.8381 2.8864 2.8864 1213 3.8680 3.8680 4.0842 4.0842 4.3847 7.7013 7.7013 8.4071 1214 8.4966 8.4966 9.2408 13.5605 16.6352 21.1733 21.1733 22.4465 1215 22.4470 22.4470 24.7906 26.5416 26.5416 28.1563 28.1752 28.1752 1216 29.5314 31.4130 33.2224 33.2224 35.9691 36.7655 36.7655 37.1895 1217 39.5195 39.5195 42.9406 42.9406 1218 1219 k = 0.0031 0.0018 0.0000 band energies (ev): 1220 1221 -114.1639-114.1637 -68.8297 -68.8264 -68.8171 -68.8171 -68.8165 -68.8165 1222 -9.2943 -8.5163 2.7027 2.7037 2.7868 2.8388 2.8864 2.8869 1223 3.8678 3.8680 4.0843 4.0847 4.3846 7.6973 7.6998 8.4063 1224 8.4841 8.4958 9.2546 13.5650 16.6351 21.1592 21.1744 22.4381 1225 22.4487 22.4493 24.7925 26.5290 26.5377 28.0894 28.1935 28.2574 1226 29.5386 31.4282 33.2104 33.2233 35.9823 36.7584 36.7658 37.1902 1227 39.5102 39.5113 42.9534 42.9536 1228 1229 k = 0.0062 0.0036 0.0000 band energies (ev): 1230 1231 -114.1639-114.1637 -68.8297 -68.8264 -68.8171 -68.8171 -68.8165 -68.8165 1232 -9.2926 -8.5155 2.7006 2.7048 2.7881 2.8409 2.8863 2.8883 1233 3.8670 3.8678 4.0844 4.0862 4.3842 7.6856 7.6956 8.4035 1234 8.4495 8.4936 9.2935 13.5785 16.6349 21.1179 21.1775 22.4116 1235 22.4538 22.4574 24.7966 26.4927 26.5271 28.0328 28.2465 28.3596 1236 29.5606 31.4733 33.1753 33.2258 36.0210 36.7377 36.7667 37.1918 1237 39.4828 39.4874 42.9916 42.9920 1238 1239 k = 0.0092 0.0053 0.0000 band energies (ev): 1240 1241 -114.1639-114.1637 -68.8297 -68.8264 -68.8171 -68.8171 -68.8165 -68.8165 1242 -9.2896 -8.5142 2.6972 2.7065 2.7902 2.8443 2.8862 2.8906 1243 3.8658 3.8676 4.0847 4.0887 4.3835 7.6661 7.6885 8.3890 1244 8.4082 8.4898 9.3518 13.6009 16.6345 21.0515 21.1827 22.3683 1245 22.4621 22.4698 24.7989 26.4372 26.5135 27.9974 28.3299 28.4694 1246 29.5980 31.5470 33.1197 33.2300 36.0832 36.7045 36.7683 37.1931 1247 39.4385 39.4499 43.0538 43.0538 1248 1249 k = 0.0123 0.0071 0.0000 band energies (ev): 1250 1251 -114.1639-114.1637 -68.8297 -68.8264 -68.8172 -68.8171 -68.8165 -68.8165 1252 -9.2855 -8.5123 2.6926 2.7088 2.7930 2.8491 2.8862 2.8938 1253 3.8642 3.8672 4.0851 4.0922 4.3826 7.6390 7.6786 8.3302 1254 8.3985 8.4845 9.4241 13.6319 16.6340 20.9633 21.1900 22.3094 1255 22.4734 22.4855 24.7932 26.3680 26.5020 27.9836 28.4385 28.5842 1256 29.6512 31.6470 33.0474 33.2360 36.1658 36.6601 36.7704 37.1926 1257 39.3791 39.4017 43.1355 43.1384 1258 1259 k = 0.0154 0.0089 0.0000 band energies (ev): 1260 1261 -114.1639-114.1637 -68.8297 -68.8264 -68.8172 -68.8171 -68.8166 -68.8165 1262 -9.2802 -8.5100 2.6867 2.7119 2.7964 2.8548 2.8866 2.8979 1263 3.8620 3.8668 4.0856 4.0967 4.3815 7.6044 7.6659 8.2597 1264 8.3919 8.4778 9.5061 13.6712 16.6334 20.8568 21.1993 22.2364 1265 22.4874 22.5034 24.7731 26.2902 26.4988 27.9905 28.5672 28.7032 1266 29.7201 31.7700 32.9634 33.2436 36.2653 36.6060 36.7730 37.1887 1267 39.3066 39.3466 43.2249 43.2431 1268 1269 k = 0.0185 0.0107 0.0000 band energies (ev): 1270 1271 -114.1639-114.1637 -68.8297 -68.8264 -68.8172 -68.8171 -68.8166 -68.8165 1272 -9.2737 -8.5071 2.6797 2.7156 2.8003 2.8611 2.8880 2.9030 1273 3.8594 3.8664 4.0862 4.1022 4.3801 7.5625 7.6506 8.1848 1274 8.3843 8.4696 9.5949 13.7184 16.6325 20.7356 21.2106 22.1510 1275 22.5039 22.5225 24.7333 26.2082 26.5083 28.0165 28.7121 28.8269 1276 29.8038 31.9108 32.8747 33.2531 36.3784 36.5433 36.7761 37.1799 1277 39.2232 39.2885 43.1601 43.3649 1278 1279 k = 0.0215 0.0124 0.0000 band energies (ev): 1280 1281 -114.1639-114.1637 -68.8297 -68.8264 -68.8172 -68.8172 -68.8166 -68.8165 1282 -9.2662 -8.5038 2.6717 2.7199 2.8045 2.8667 2.8918 2.9089 1283 3.8564 3.8659 4.0869 4.1088 4.3785 7.5135 7.6326 8.1074 1284 8.3755 8.4599 9.6888 13.7732 16.6315 20.6028 21.2239 22.0548 1285 22.5222 22.5418 24.6718 26.1254 26.5316 28.0604 28.8700 28.9565 1286 29.9001 32.0590 32.7927 33.2644 36.4731 36.5021 36.7794 37.1651 1287 39.1310 39.2313 43.0132 43.4884 1288 1289 k = 0.0246 0.0142 0.0000 band energies (ev): 1290 1291 -114.1639-114.1637 -68.8296 -68.8264 -68.8172 -68.8172 -68.8167 -68.8165 1292 -9.2575 -8.5000 2.6627 2.7248 2.8091 2.8702 2.8992 2.9157 1293 3.8529 3.8654 4.0877 4.1163 4.3766 7.4578 7.6121 8.0289 1294 8.3653 8.4488 9.7865 13.8349 16.6303 20.4610 21.2392 21.9498 1295 22.5420 22.5603 24.5897 26.0444 26.5664 28.1217 29.0388 29.0934 1296 30.0067 32.1892 32.7437 33.2775 36.3963 36.6338 36.7829 37.1432 1297 39.0320 39.1786 42.8550 43.6232 1298 1299 k = 0.0277 0.0160 0.0000 band energies (ev): 1300 1301 -114.1639-114.1637 -68.8296 -68.8264 -68.8173 -68.8172 -68.8167 -68.8165 1302 -9.2477 -8.4957 2.6528 2.7303 2.8138 2.8720 2.9103 2.9234 1303 3.8490 3.8649 4.0885 4.1248 4.3745 7.3958 7.5891 7.9502 1304 8.3539 8.4363 9.8872 13.9032 16.6288 20.3125 21.2563 21.8375 1305 22.5625 22.5770 24.4908 25.9673 26.6073 28.2011 29.2167 29.2384 1306 30.1211 32.2498 32.7804 33.2925 36.3138 36.7712 36.7865 37.1137 1307 38.9278 39.1336 42.6892 43.7642 1308 1309 k = 0.0308 0.0178 0.0000 band energies (ev): 1310 1311 -114.1639-114.1637 -68.8296 -68.8264 -68.8173 -68.8172 -68.8167 -68.8166 1312 -9.2369 -8.4910 2.6421 2.7363 2.8184 2.8730 2.9240 2.9319 1313 3.8447 3.8645 4.0894 4.1343 4.3722 7.3278 7.5638 7.8716 1314 8.3411 8.4224 9.9906 13.9773 16.6271 20.1594 21.2753 21.7195 1315 22.5832 22.5903 24.3807 25.8960 26.6486 28.2993 29.3914 29.4024 1316 30.2410 32.2209 32.9234 33.3095 36.2265 36.7900 36.9125 37.0764 1317 38.8198 39.0990 42.5171 43.9086 1318 1319 k = 0.0338 0.0195 0.0000 band energies (ev): 1320 1321 -114.1639-114.1637 -68.8296 -68.8264 -68.8174 -68.8172 -68.8168 -68.8166 1322 -9.2250 -8.4860 2.6307 2.7429 2.8227 2.8740 2.9399 2.9413 1323 3.8400 3.8642 4.0904 4.1448 4.3697 7.2545 7.5362 7.7936 1324 8.3269 8.4072 10.0960 14.0569 16.6251 20.0031 21.2960 21.5971 1325 22.5985 22.6032 24.2651 25.8320 26.6850 28.4162 29.5510 29.5951 1326 30.3645 32.1477 33.1288 33.3285 36.1352 36.7931 37.0315 37.0561 1327 38.7094 39.0768 42.3395 44.0540 1328 1329 k = 0.0369 0.0213 0.0000 band energies (ev): 1330 1331 -114.1639-114.1637 -68.8296 -68.8264 -68.8174 -68.8172 -68.8168 -68.8166 1332 -9.2121 -8.4805 2.6186 2.7499 2.8263 2.8757 2.9515 2.9576 1333 3.8350 3.8640 4.0915 4.1562 4.3670 7.1763 7.5064 7.7162 1334 8.3113 8.3908 10.2033 14.1411 16.6228 19.8450 21.3184 21.4717 1335 22.5990 22.6220 24.1502 25.7764 26.7133 28.5506 29.7151 29.7941 1336 30.4902 32.0643 33.3496 33.3646 36.0408 36.7959 36.9798 37.2005 1337 38.5974 39.0684 42.1571 44.1985 1338 1339 k = 0.0400 0.0231 0.0000 band energies (ev): 1340 1341 -114.1639-114.1637 -68.8296 -68.8265 -68.8174 -68.8172 -68.8169 -68.8166 1342 -9.1983 -8.4747 2.6061 2.7574 2.8289 2.8787 2.9625 2.9769 1343 3.8297 3.8639 4.0925 4.1686 4.3642 7.0939 7.4747 7.6393 1344 8.2944 8.3731 10.3123 14.2296 16.6201 19.6862 21.3424 21.3444 1345 22.5890 22.6386 24.0417 25.7305 26.7320 28.6989 29.8805 29.9987 1346 30.6173 31.9863 33.3728 33.6174 35.9444 36.7979 36.9226 37.3448 1347 38.4848 39.0747 41.9704 44.3402 1348 1349 k = 0.0431 0.0249 0.0000 band energies (ev): 1350 1351 -114.1639-114.1637 -68.8295 -68.8265 -68.8175 -68.8172 -68.8169 -68.8166 1352 -9.1835 -8.4686 2.5931 2.7653 2.8302 2.8832 2.9743 2.9976 1353 3.8240 3.8641 4.0936 4.1819 4.3613 7.0079 7.4410 7.5631 1354 8.2761 8.3542 10.4228 14.3215 16.6171 19.5277 21.2162 21.3678 1355 22.5653 22.6524 23.9453 25.6952 26.7414 28.8559 30.0431 30.2085 1356 30.7458 31.9236 33.3981 33.8811 35.8470 36.7990 36.8616 37.4878 1357 38.3723 39.0961 41.7800 44.4777 1358 1359 k = 0.0462 0.0266 0.0000 band energies (ev): 1360 1361 -114.1639-114.1637 -68.8295 -68.8265 -68.8175 -68.8173 -68.8170 -68.8166 1362 -9.1679 -8.4622 2.5799 2.7735 2.8303 2.8893 2.9868 3.0197 1363 3.8181 3.8644 4.0948 4.1961 4.3584 6.9188 7.4055 7.4873 1364 8.2564 8.3341 10.5346 14.4164 16.6135 19.3700 21.0881 21.3944 1365 22.5248 22.6627 23.8658 25.6714 26.7424 29.0141 30.1989 30.4232 1366 30.8769 31.8841 33.4257 34.1515 35.7504 36.7985 36.7990 37.6286 1367 38.2606 39.1328 41.5864 44.5415 1368 1369 k = 0.0492 0.0284 0.0000 band energies (ev): 1370 1371 -114.1639-114.1637 -68.8295 -68.8265 -68.8176 -68.8173 -68.8170 -68.8166 1372 -9.1514 -8.4555 2.5664 2.7820 2.8292 2.8968 3.0001 3.0431 1373 3.8119 3.8650 4.0959 4.2109 4.3556 6.8273 7.3684 7.4120 1374 8.2353 8.3131 10.6477 14.5135 16.6095 19.2140 20.9607 21.4222 1375 22.4659 22.6691 23.8064 25.6598 26.7367 29.1637 30.3448 30.6424 1376 31.0129 31.8744 33.4556 34.4248 35.6565 36.7356 36.7976 37.7665 1377 38.1501 39.1851 41.3902 44.4494 1378 1379 k = 0.0523 0.0302 0.0000 band energies (ev): 1380 1381 -114.1639-114.1637 -68.8294 -68.8265 -68.8177 -68.8173 -68.8171 -68.8166 1382 -9.1341 -8.4487 2.5528 2.7908 2.8273 2.9056 3.0141 3.0676 1383 3.8055 3.8660 4.0971 4.2264 4.3530 6.7338 7.3298 7.3370 1384 8.2128 8.2910 10.7618 14.6123 16.6048 19.0601 20.8349 21.4510 1385 22.3888 22.6710 23.7678 25.6607 26.7258 29.2930 30.4820 30.8659 1386 31.1561 31.8986 33.4879 34.6962 35.5693 36.6748 36.7946 37.9007 1387 38.0413 39.2530 41.1920 44.3463 1388 1389 k = 0.0554 0.0320 0.0000 band energies (ev): 1390 1391 -114.1639-114.1637 -68.8294 -68.8265 -68.8177 -68.8173 -68.8172 -68.8166 1392 -9.1161 -8.4416 2.5393 2.7997 2.8248 2.9153 3.0288 3.0931 1393 3.7990 3.8672 4.0983 4.2421 4.3511 6.6388 7.2622 7.2897 1394 8.1889 8.2680 10.8770 14.7121 16.5995 18.9088 20.7113 21.4805 1395 22.2955 22.6684 23.7488 25.6743 26.7112 29.3899 30.6170 31.0933 1396 31.3070 31.9572 33.5225 34.9546 35.4994 36.6182 36.7896 37.9346 1397 38.0307 39.3368 40.9925 44.2319 1398 1399 k = 0.0585 0.0338 0.0000 band energies (ev): 1400 1401 -114.1639-114.1637 -68.8294 -68.8266 -68.8178 -68.8173 -68.8172 -68.8167 1402 -9.0974 -8.4344 2.5260 2.8088 2.8219 2.9260 3.0442 3.1195 1403 3.7923 3.8688 4.0995 4.2576 4.3502 6.5428 7.1878 7.2485 1404 8.1636 8.2442 10.9930 14.8123 16.5933 18.7605 20.5905 21.5106 1405 22.1894 22.6613 23.7466 25.7008 26.6944 29.4458 30.7580 31.3245 1406 31.4643 32.0468 33.5595 35.1547 35.4918 36.5678 36.7825 37.8303 1407 38.1560 39.4370 40.7927 44.1061 1408 1409 k = 0.0615 0.0355 0.0000 band energies (ev): 1410 1411 -114.1639-114.1637 -68.8294 -68.8266 -68.8178 -68.8174 -68.8173 -68.8167 1412 -9.0780 -8.4272 2.5129 2.8180 2.8186 2.9373 3.0601 3.1468 1413 3.7856 3.8709 4.1007 4.2719 4.3514 6.4462 7.1136 7.2061 1414 8.1369 8.2196 11.1099 14.9122 16.5863 18.6155 20.4731 21.5409 1415 22.0745 22.6498 23.7578 25.7398 26.6764 29.4592 30.9087 31.5591 1416 31.6262 32.1622 33.5989 35.2014 35.6419 36.5254 36.7728 37.7290 1417 38.2759 39.5539 40.5936 43.9689 1418 1419 k = 0.0646 0.0373 0.0000 band energies (ev): 1420 1421 -114.1638-114.1637 -68.8293 -68.8266 -68.8179 -68.8174 -68.8174 -68.8167 1422 -9.0581 -8.4199 2.5001 2.8150 2.8273 2.9494 3.0767 3.1747 1423 3.7789 3.8733 4.1020 4.2836 4.3559 6.3493 7.0396 7.1628 1424 8.1089 8.1943 11.2275 15.0112 16.5783 18.4741 20.3595 21.5713 1425 21.9541 22.6344 23.7791 25.7910 26.6583 29.4357 31.0654 31.7920 1426 31.7969 32.2964 33.6408 35.1669 35.8784 36.4927 36.7605 37.6307 1427 38.3901 39.6877 40.3974 43.8205 1428 1429 k = 0.0677 0.0391 0.0000 band energies (ev): 1430 1431 -114.1638-114.1637 -68.8293 -68.8266 -68.8180 -68.8174 -68.8174 -68.8167 1432 -9.0376 -8.4125 2.4879 2.8113 2.8365 2.9620 3.0938 3.2030 1433 3.7723 3.8761 4.1032 4.2913 4.3652 6.2526 6.9659 7.1186 1434 8.0795 8.1685 11.3457 15.1085 16.5690 18.3366 20.2502 21.6013 1435 21.8313 22.6156 23.8078 25.8537 26.6410 29.3834 31.2197 31.9632 1436 32.0377 32.4417 33.6852 35.1258 36.1285 36.4717 36.7451 37.5360 1437 38.4979 39.8348 40.2099 43.6615 1438 1439 k = 0.0708 0.0409 0.0000 band energies (ev): 1440 1441 -114.1638-114.1637 -68.8293 -68.8267 -68.8180 -68.8175 -68.8174 -68.8167 1442 -9.0166 -8.4052 2.4762 2.8074 2.8456 2.9753 3.1114 3.2316 1443 3.7660 3.8795 4.1045 4.2951 4.3793 6.1563 6.8926 7.0738 1444 8.0489 8.1422 11.4645 15.2035 16.5584 18.2033 20.1456 21.6307 1445 21.7085 22.5942 23.8417 25.9274 26.6252 29.3107 31.3623 32.1414 1446 32.2810 32.5904 33.7319 35.0976 36.3727 36.4661 36.7264 37.4451 1447 38.5982 39.9330 40.0965 43.4926 1448 1449 k = 0.0738 0.0426 0.0000 band energies (ev): 1450 1451 -114.1638-114.1637 -68.8292 -68.8267 -68.8181 -68.8176 -68.8174 -68.8167 1452 -8.9953 -8.3980 2.4652 2.8034 2.8546 2.9890 3.1294 3.2602 1453 3.7601 3.8833 4.1057 4.2959 4.3971 6.0609 6.8196 7.0285 1454 8.0169 8.1154 11.5836 15.2955 16.5461 18.0744 20.0460 21.5876 1455 21.6590 22.5710 23.8788 26.0112 26.6116 29.2240 31.4870 32.3260 1456 32.5265 32.7353 33.7811 35.0913 36.4631 36.6201 36.7043 37.3585 1457 38.6887 39.8028 40.2415 43.3149 1458 1459 k = 0.0769 0.0444 0.0000 band energies (ev): 1460 1461 -114.1638-114.1637 -68.8292 -68.8267 -68.8182 -68.8176 -68.8175 -68.8167 1462 -8.9736 -8.3909 2.4550 2.7993 2.8635 3.0033 3.1478 3.2885 1463 3.7547 3.8876 4.1070 4.2951 4.4171 5.9667 6.7470 6.9828 1464 7.9838 8.0884 11.7031 15.3839 16.5320 17.9502 19.9518 21.4701 1465 21.6858 22.5468 23.9175 26.1043 26.6007 29.1281 31.5906 32.5119 1466 32.7736 32.8713 33.8326 35.1139 36.4836 36.6784 36.8484 37.2766 1467 38.7638 39.6440 40.4527 43.1297 1468 1469 k = 0.0800 0.0462 0.0000 band energies (ev): 1470 1471 -114.1638-114.1637 -68.8291 -68.8267 -68.8182 -68.8177 -68.8175 -68.8168 1472 -8.9517 -8.3840 2.4456 2.7952 2.8721 3.0180 3.1666 3.3162 1473 3.7501 3.8923 4.1082 4.2935 4.4384 5.8741 6.6749 6.9369 1474 7.9494 8.0613 11.8228 15.4680 16.5157 17.8311 19.8631 21.3574 1475 21.7106 22.5226 23.9567 26.2058 26.5930 29.0267 31.6734 32.6875 1476 32.9992 33.0217 33.8865 35.1707 36.5177 36.6487 37.0672 37.2000 1477 38.8110 39.5115 40.6899 42.9383 1478 1479 k = 0.0831 0.0480 0.0000 band energies (ev): 1480 1481 -114.1638-114.1637 -68.8291 -68.8268 -68.8183 -68.8178 -68.8175 -68.8168 1482 -8.9296 -8.3773 2.4372 2.7910 2.8805 3.0331 3.1856 3.3430 1483 3.7465 3.8976 4.1095 4.2917 4.4603 5.7835 6.6035 6.8909 1484 7.9140 8.0340 11.9426 15.5472 16.4968 17.7174 19.7801 21.2506 1485 21.7329 22.4993 23.9952 26.3150 26.5890 28.9221 31.7370 32.8332 1486 33.1296 33.2696 33.9429 35.2647 36.5663 36.6150 37.1294 37.2755 1487 38.8079 39.4338 40.9492 42.7422 1488 1489 k = 0.0862 0.0497 0.0000 band energies (ev): 1490 1491 -114.1638-114.1637 -68.8291 -68.8268 -68.8183 -68.8178 -68.8175 -68.8168 1492 -8.9073 -8.3708 2.4298 2.7867 2.8886 3.0486 3.2048 3.3682 1493 3.7444 3.9033 4.1108 4.2900 4.4823 5.6953 6.5327 6.8450 1494 7.8776 8.0068 12.0623 15.6209 16.4749 17.6095 19.7029 21.1504 1495 21.7520 22.4778 24.0322 26.4309 26.5888 28.8164 31.7834 32.9303 1496 33.2753 33.5158 34.0023 35.3953 36.5774 36.6294 37.0656 37.4741 1497 38.7408 39.4284 41.2290 42.5429 1498 1499 k = 0.0892 0.0515 0.0000 band energies (ev): 1500 1501 -114.1638-114.1637 -68.8290 -68.8268 -68.8184 -68.8179 -68.8175 -68.8168 1502 -8.8851 -8.3646 2.4235 2.7825 2.8964 3.0645 3.2241 3.3913 1503 3.7441 3.9095 4.1121 4.2887 4.5039 5.6100 6.4628 6.7994 1504 7.8402 7.9797 12.1820 15.6886 16.4495 17.5079 19.6314 21.0578 1505 21.7674 22.4591 24.0669 26.5528 26.5928 28.7109 31.8149 32.9806 1506 33.4325 33.7564 34.0670 35.5583 36.5360 36.7064 37.0101 37.6645 1507 38.6276 39.4811 41.5275 42.3418 1508 1509 k = 0.0923 0.0533 0.0000 band energies (ev): 1510 1511 -114.1638-114.1637 -68.8290 -68.8268 -68.8185 -68.8180 -68.8176 -68.8168 1512 -8.8628 -8.3588 2.4183 2.7781 2.9038 3.0807 3.2435 3.4119 1513 3.7459 3.9161 4.1134 4.2881 4.5244 5.5283 6.3938 6.7542 1514 7.8020 7.9529 12.3014 15.7498 16.4199 17.4131 19.5653 20.9734 1515 21.7786 22.4439 24.0988 26.6009 26.6797 28.6067 31.8334 32.9980 1516 33.5878 33.9766 34.1494 35.7471 36.4909 36.7962 36.9644 37.8484 1517 38.4962 39.5686 41.8431 42.1405 1518 1519 k = 0.0954 0.0551 0.0000 band energies (ev): 1520 1521 -114.1638-114.1637 -68.8289 -68.8269 -68.8185 -68.8181 -68.8176 -68.8168 1522 -8.8406 -8.3533 2.4142 2.7737 2.9108 3.0973 3.2629 3.4293 1523 3.7502 3.9230 4.1148 4.2885 4.5433 5.4508 6.3259 6.7096 1524 7.7632 7.9264 12.4204 15.8043 16.3858 17.3258 19.5046 20.8977 1525 21.7853 22.4327 24.1273 26.6132 26.8110 28.5047 31.8408 32.9942 1526 33.7317 34.1220 34.3012 35.9528 36.4427 36.8975 36.9309 38.0279 1527 38.3654 39.6778 41.9401 42.1737 1528 1529 k = 0.0985 0.0568 0.0000 band energies (ev): 1530 1531 -114.1638-114.1637 -68.8289 -68.8269 -68.8186 -68.8181 -68.8176 -68.8168 1532 -8.8187 -8.3483 2.4114 2.7693 2.9175 3.1140 3.2821 3.4432 1533 3.7571 3.9304 4.1161 4.2899 4.5595 5.3783 6.2594 6.6657 1534 7.7237 7.9004 12.5390 15.8517 16.3464 17.2464 19.4487 20.8313 1535 21.7874 22.4259 24.1523 26.6294 26.9457 28.4057 31.8388 32.9770 1536 33.8585 34.2008 34.5104 36.1655 36.3918 36.9127 37.0072 38.1975 1537 38.2564 39.8035 41.7418 42.5175 1538 1539 k = 0.1015 0.0586 0.0000 band energies (ev): 1540 1541 -114.1638-114.1637 -68.8289 -68.8269 -68.8186 -68.8182 -68.8176 -68.8169 1542 -8.7970 -8.3436 2.4098 2.7648 2.9237 3.1310 3.3010 3.4534 1543 3.7667 3.9380 4.1175 4.2927 4.5723 5.3118 6.1943 6.6228 1544 7.6839 7.8750 12.6569 15.8920 16.3014 17.1753 19.3973 20.7743 1545 21.7850 22.4235 24.1735 26.6492 27.0831 28.3101 31.8291 32.9521 1546 33.9651 34.2633 34.7215 36.3391 36.3747 36.9142 37.1179 38.1553 1547 38.3892 39.9434 41.5468 42.8721 1548 1549 k = 0.1046 0.0604 0.0000 band energies (ev): 1550 1551 -114.1638-114.1637 -68.8288 -68.8270 -68.8187 -68.8182 -68.8176 -68.8169 1552 -8.7756 -8.3395 2.4094 2.7601 2.9295 3.1482 3.3197 3.4599 1553 3.7786 3.9459 4.1188 4.2971 4.5805 5.2523 6.1311 6.5809 1554 7.6439 7.8503 12.7740 15.9251 16.2509 17.1128 19.3498 20.7270 1555 21.7786 22.4252 24.1910 26.6722 27.2223 28.2185 31.8132 32.9235 1556 34.0497 34.3194 34.9184 36.2855 36.5702 36.9406 37.2123 38.1210 1557 38.5701 40.0965 41.3559 43.2353 1558 1559 k = 0.1077 0.0622 0.0000 band energies (ev): 1560 1561 -114.1638-114.1637 -68.8288 -68.8270 -68.8188 -68.8183 -68.8177 -68.8169 1562 -8.7547 -8.3358 2.4103 2.7554 2.9349 3.1654 3.3379 3.4632 1563 3.7921 3.9540 4.1202 4.3032 4.5831 5.2007 6.0699 6.5403 1564 7.6038 7.8264 12.8901 15.9508 16.1953 17.0588 19.3059 20.6891 1565 21.7688 22.4305 24.2048 26.6979 27.3624 28.1312 31.7925 32.8942 1566 34.1113 34.3698 35.0933 36.2323 36.7448 36.9981 37.2642 38.1688 1567 38.7566 40.2621 41.1700 43.6044 1568 1569 k = 0.1108 0.0640 0.0000 band energies (ev): 1570 1571 -114.1638-114.1637 -68.8287 -68.8270 -68.8188 -68.8184 -68.8177 -68.8169 1572 -8.7344 -8.3326 2.4123 2.7505 2.9399 3.1827 3.3556 3.4636 1573 3.8066 3.9622 4.1215 4.3109 4.5795 5.1579 6.0112 6.5012 1574 7.5640 7.8035 13.0051 15.9683 16.1362 17.0128 19.2650 20.6605 1575 21.7562 22.4386 24.2152 26.7256 27.5025 28.0488 31.7683 32.8668 1576 34.1499 34.4137 35.2406 36.1805 36.8956 37.0919 37.2626 38.3097 1577 38.9498 40.4394 40.9899 43.9757 1578 1579 k = 0.1138 0.0657 0.0000 band energies (ev): 1580 1581 -114.1638-114.1637 -68.8287 -68.8270 -68.8189 -68.8184 -68.8177 -68.8169 1582 -8.7146 -8.3299 2.4155 2.7454 2.9445 3.1999 3.3726 3.4617 1583 3.8214 3.9705 4.1228 4.3202 4.5696 5.1238 5.9553 6.4637 1584 7.5247 7.7815 13.1188 15.9730 16.0794 16.9742 19.2269 20.6405 1585 21.7418 22.4489 24.2224 26.7545 27.6416 27.9714 31.7416 32.8430 1586 34.1660 34.4496 35.3585 36.1315 37.0218 37.2247 37.2262 38.5226 1587 39.1508 40.6272 40.8164 44.2081 1588 1589 k = 0.1169 0.0675 0.0000 band energies (ev): 1590 1591 -114.1638-114.1637 -68.8287 -68.8271 -68.8189 -68.8185 -68.8177 -68.8169 1592 -8.6956 -8.3277 2.4197 2.7402 2.9487 3.2170 3.3889 3.4580 1593 3.8358 3.9786 4.1241 4.3303 4.5548 5.0977 5.9027 6.4280 1594 7.4860 7.7607 13.2309 15.9488 16.0425 16.9421 19.1914 20.6283 1595 21.7261 22.4607 24.2268 26.7838 27.7787 27.8996 31.7136 32.8243 1596 34.1609 34.4758 35.4492 36.0860 37.1035 37.1993 37.3955 38.7796 1597 39.3608 40.6502 40.8242 44.0840 1598 1599 k = 0.1200 0.0693 0.0000 band energies (ev): 1600 1601 -114.1638-114.1637 -68.8286 -68.8271 -68.8189 -68.8185 -68.8177 -68.8169 1602 -8.6774 -8.3261 2.4250 2.7348 2.9525 3.2339 3.4043 3.4530 1603 3.8492 3.9867 4.1254 4.3397 4.5380 5.0778 5.8541 6.3942 1604 7.4484 7.7412 13.3411 15.8902 16.0324 16.9156 19.1582 20.6231 1605 21.7099 22.4734 24.2288 26.8129 27.8334 27.9126 31.6850 32.8120 1606 34.1362 34.4908 35.5183 36.0447 37.0779 37.2604 37.5997 39.0605 1607 39.5810 40.4920 41.0283 43.9685 1608 1609 k = 0.1231 0.0711 0.0000 band energies (ev): 1610 1611 -114.1638-114.1637 -68.8286 -68.8271 -68.8190 -68.8186 -68.8177 -68.8169 1612 -8.6601 -8.3249 2.4310 2.7292 2.9559 3.2504 3.4188 3.4471 1613 3.8614 3.9945 4.1266 4.3457 4.5235 5.0619 5.8099 6.3627 1614 7.4122 7.7229 13.4491 15.8180 16.0302 16.8939 19.1274 20.6237 1615 21.6937 22.4864 24.2288 26.8408 27.7734 28.0421 31.6567 32.8069 1616 34.0942 34.4939 35.5727 36.0080 37.0224 37.3411 37.8313 39.3523 1617 39.8124 40.3427 41.2372 43.8616 1618 1619 k = 0.1262 0.0728 0.0000 band energies (ev): 1620 1621 -114.1638-114.1637 -68.8286 -68.8272 -68.8190 -68.8186 -68.8177 -68.8169 1622 -8.6439 -8.3242 2.4379 2.7234 2.9589 3.2664 3.4322 3.4406 1623 3.8721 4.0020 4.1278 4.3445 4.5169 5.0477 5.7708 6.3334 1624 7.3778 7.7062 13.5545 15.7412 16.0286 16.8762 19.0990 20.6290 1625 21.6780 22.4993 24.2273 26.8668 27.7195 28.1658 31.6293 32.8099 1626 34.0374 34.4852 35.6185 35.9758 36.9680 37.4149 38.0844 39.6452 1627 40.0558 40.2034 41.4481 43.7617 1628 1629 k = 0.1292 0.0746 0.0000 band energies (ev): 1630 1631 -114.1638-114.1637 -68.8285 -68.8272 -68.8191 -68.8186 -68.8178 -68.8170 1632 -8.6288 -8.3238 2.4452 2.7175 2.9616 3.2818 3.4339 3.4445 1633 3.8814 4.0091 4.1288 4.3340 4.5218 5.0330 5.7371 6.3067 1634 7.3454 7.6909 13.6565 15.6629 16.0261 16.8617 19.0731 20.6377 1635 21.6631 22.5116 24.2246 26.8904 27.6722 28.2825 31.6035 32.8214 1636 33.9683 34.4662 35.6596 35.9484 36.9188 37.4801 38.3537 39.9323 1637 40.0752 40.3108 41.6573 43.6469 1638 1639 k = 0.1323 0.0764 0.0000 band energies (ev): 1640 1641 -114.1637-114.1637 -68.8285 -68.8272 -68.8191 -68.8187 -68.8178 -68.8170 1642 -8.6150 -8.3238 2.4528 2.7116 2.9639 3.2963 3.4271 3.4556 1643 3.8892 4.0156 4.1298 4.3159 4.5376 5.0163 5.7091 6.2827 1644 7.3155 7.6772 13.7546 15.5849 16.0229 16.8501 19.0498 20.6486 1645 21.6493 22.5232 24.2213 26.9110 27.6314 28.3906 31.5796 32.8418 1646 33.8898 34.4392 35.6976 35.9257 36.8758 37.5368 38.6349 39.9603 1647 40.2094 40.5744 41.8608 43.3519 1648 1649 k = 0.1354 0.0782 0.0000 band energies (ev): 1650 1651 -114.1637-114.1637 -68.8285 -68.8272 -68.8191 -68.8187 -68.8178 -68.8170 1652 -8.6027 -8.3241 2.4605 2.7058 2.9659 3.3097 3.4207 3.4653 1653 3.8956 4.0215 4.1307 4.2942 4.5611 4.9967 5.6868 6.2616 1654 7.2885 7.6652 13.8475 15.5086 16.0191 16.8407 19.0293 20.6607 1655 21.6370 22.5336 24.2176 26.9283 27.5971 28.4886 31.5582 32.8711 1656 33.8045 34.4071 35.7321 35.9084 36.8392 37.5852 38.9226 39.8620 1657 40.4748 40.8396 42.0541 42.9992 1658 1659 k = 0.1385 0.0799 0.0000 band energies (ev): 1660 1661 -114.1637-114.1637 -68.8285 -68.8272 -68.8191 -68.8187 -68.8178 -68.8170 1662 -8.5919 -8.3246 2.4680 2.7002 2.9676 3.3218 3.4146 3.4737 1663 3.9008 4.0267 4.1314 4.2720 4.5895 4.9738 5.6698 6.2434 1664 7.2648 7.6549 13.9339 15.4360 16.0152 16.8332 19.0116 20.6728 1665 21.6263 22.5428 24.2139 26.9422 27.5692 28.5749 31.5395 32.9092 1666 33.7150 34.3731 35.7614 35.8975 36.8087 37.6258 39.2064 39.7903 1667 40.7283 41.0956 42.2321 42.6448 1668 1669 k = 0.1415 0.0817 0.0000 band energies (ev): 1670 1671 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8187 -68.8178 -68.8170 1672 -8.5828 -8.3252 2.4748 2.6951 2.9689 3.3325 3.4092 3.4806 1673 3.9049 4.0311 4.1320 4.2517 4.6206 4.9481 5.6574 6.2283 1674 7.2448 7.6464 14.0117 15.3692 16.0115 16.8275 18.9970 20.6840 1675 21.6173 22.5505 24.2105 26.9528 27.5474 28.6481 31.5238 32.9555 1676 33.6238 34.3404 35.7824 35.8945 36.7843 37.6587 39.4407 39.7902 1677 40.9686 41.3284 42.2921 42.3907 1678 1679 k = 0.1446 0.0835 0.0000 band energies (ev): 1680 1681 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8187 -68.8178 -68.8170 1682 -8.5756 -8.3258 2.4807 2.6907 2.9699 3.3413 3.4045 3.4861 1683 3.9081 4.0346 4.1325 4.2346 4.6525 4.9206 5.6489 6.2165 1684 7.2289 7.6397 14.0781 15.3112 16.0083 16.8232 18.9856 20.6935 1685 21.6102 22.5566 24.2075 26.9604 27.5312 28.7067 31.5114 33.0088 1686 33.5339 34.3118 35.7938 35.8992 36.7655 37.6841 39.5154 39.9718 1687 41.1918 41.5202 41.9425 42.5273 1688 1689 k = 0.1477 0.0853 0.0000 band energies (ev): 1690 1691 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8188 -68.8178 -68.8170 1692 -8.5703 -8.3263 2.4853 2.6873 2.9707 3.3481 3.4009 3.4900 1693 3.9103 4.0372 4.1328 4.2218 4.6827 4.8936 5.6436 6.2080 1694 7.2172 7.6350 14.1299 15.2655 16.0058 16.8202 18.9773 20.7008 1695 21.6051 22.5610 24.2053 26.9654 27.5200 28.7495 31.5024 33.0666 1696 33.4490 34.2897 35.7980 35.9076 36.7523 37.7021 39.5034 40.2621 1697 41.3900 41.5969 41.6504 42.6405 1698 1699 k = 0.1508 0.0870 0.0000 band energies (ev): 1700 1701 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8188 -68.8178 -68.8170 1702 -8.5671 -8.3267 2.4881 2.6851 2.9711 3.3524 3.3984 3.4923 1703 3.9116 4.0387 4.1331 4.2139 4.7066 4.8715 5.6406 6.2028 1704 7.2102 7.6321 14.1630 15.2359 16.0043 16.8184 18.9723 20.7054 1705 21.6020 22.5637 24.2039 26.9683 27.5136 28.7756 31.4970 33.1215 1706 33.3776 34.2756 35.7990 35.9148 36.7445 37.7129 39.4861 40.5782 1707 41.2574 41.5493 41.7028 42.7238 1708 1709 k = 0.1538 0.0888 0.0000 band energies (ev): 1710 1711 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8188 -68.8178 -68.8170 1712 -8.5660 -8.3268 2.4891 2.6843 2.9713 3.3539 3.3976 3.4931 1713 3.9120 4.0393 4.1331 4.2112 4.7164 4.8623 5.6397 6.2011 1714 7.2078 7.6311 14.1745 15.2256 16.0037 16.8179 18.9707 20.7070 1715 21.6009 22.5646 24.2035 26.9692 27.5115 28.7844 31.4951 33.1491 1716 33.3444 34.2708 35.7991 35.9176 36.7418 37.7165 39.4794 40.8516 1717 40.9771 41.6332 41.6920 42.7568 1718 1719 k = 0.1521 0.0919 0.0000 band energies (ev): 1720 1721 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8188 -68.8178 -68.8170 1722 -8.5657 -8.3268 2.4898 2.6857 2.9710 3.3529 3.3981 3.4938 1723 3.9119 4.0386 4.1334 4.2111 4.7166 4.8631 5.6392 6.1987 1724 7.2066 7.6287 14.1783 15.2295 16.0041 16.8181 18.9708 20.7076 1725 21.5887 22.5588 24.2092 26.9758 27.5193 28.7818 31.4928 33.1582 1726 33.3455 34.2634 35.8022 35.9147 36.7282 37.7139 39.5001 40.7714 1727 40.9076 41.6841 41.7759 42.7841 1728 1729 k = 0.1503 0.0949 0.0000 band energies (ev): 1730 1731 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8188 -68.8178 -68.8170 1732 -8.5648 -8.3268 2.4917 2.6900 2.9702 3.3500 3.3994 3.4957 1733 3.9114 4.0367 4.1341 4.2107 4.7174 4.8654 5.6375 6.1917 1734 7.2029 7.6217 14.1896 15.2413 16.0051 16.8187 18.9713 20.7096 1735 21.5529 22.5416 24.2254 26.9955 27.5429 28.7741 31.4857 33.1852 1736 33.3484 34.2411 35.8117 35.9060 36.6886 37.7060 39.5606 40.5875 1737 40.7427 41.7947 41.9708 42.8646 1738 1739 k = 0.1485 0.0980 0.0000 band energies (ev): 1740 1741 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8188 -68.8178 -68.8170 1742 -8.5634 -8.3268 2.4949 2.6971 2.9688 3.3453 3.4017 3.4988 1743 3.9107 4.0337 4.1353 4.2102 4.7185 4.8693 5.6344 6.1805 1744 7.1968 7.6101 14.2082 15.2606 16.0067 16.8197 18.9721 20.7129 1745 21.4955 22.5134 24.2495 27.0278 27.5827 28.7622 31.4741 33.2293 1746 33.3529 34.2044 35.8273 35.8918 36.6270 37.6925 39.6573 40.3653 1747 40.5346 41.9174 42.2112 42.9927 1748 1749 k = 0.1468 0.1011 0.0000 band energies (ev): 1750 1751 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8188 -68.8178 -68.8170 1752 -8.5614 -8.3269 2.4994 2.7071 2.9670 3.3391 3.4048 3.5028 1753 3.9096 4.0295 4.1370 4.2093 4.7201 4.8747 5.6295 6.1657 1754 7.1882 7.5941 14.2341 15.2872 16.0090 16.8211 18.9732 20.7173 1755 21.4198 22.4751 24.2776 27.0721 27.6395 28.7472 31.4583 33.2894 1756 33.3581 34.1545 35.8490 35.8723 36.5484 37.6730 39.7851 40.1313 1757 40.3069 42.0372 42.4701 43.1592 1758 1759 k = 0.1450 0.1041 0.0000 band energies (ev): 1760 1761 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8188 -68.8178 -68.8170 1762 -8.5588 -8.3270 2.5051 2.7198 2.9648 3.3317 3.4089 3.5075 1763 3.9083 4.0243 4.1391 4.2081 4.7221 4.8813 5.6221 6.1483 1764 7.1771 7.5741 14.2668 15.3207 16.0118 16.8229 18.9746 20.7225 1765 21.3295 22.4279 24.3053 27.1274 27.7141 28.7306 31.4384 33.3625 1766 33.3640 34.0930 35.8478 35.8763 36.4581 37.6467 39.8961 39.9376 1767 40.0704 42.1534 42.7364 43.2203 1768 1769 k = 0.1432 0.1072 0.0000 band energies (ev): 1770 1771 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8187 -68.8179 -68.8170 1772 -8.5556 -8.3271 2.5119 2.7353 2.9623 3.3232 3.4137 3.5126 1773 3.9067 4.0183 4.1417 4.2064 4.7245 4.8893 5.6114 6.1295 1774 7.1634 7.5504 14.3063 15.3603 16.0153 16.8250 18.9764 20.7281 1775 21.2283 22.3729 24.3283 27.1926 27.8072 28.7139 31.4149 33.3636 1776 33.4513 34.0230 35.8186 35.9090 36.3607 37.6127 39.6650 39.8254 1777 40.1151 42.2694 43.0031 43.1703 1778 1779 k = 0.1415 0.1103 0.0000 band energies (ev): 1780 1781 -114.1637-114.1637 -68.8284 -68.8273 -68.8191 -68.8187 -68.8179 -68.8171 1782 -8.5519 -8.3272 2.5198 2.7536 2.9595 3.3139 3.4193 3.5181 1783 3.9047 4.0116 4.1445 4.2043 4.7271 4.8982 5.5964 6.1107 1784 7.1471 7.5235 14.3520 15.4055 16.0192 16.8274 18.9785 20.7327 1785 21.1209 22.3117 24.3428 27.2667 27.9192 28.6991 31.3882 33.3568 1786 33.5493 33.9499 35.7853 35.9463 36.2603 37.5697 39.4413 39.5814 1787 40.3069 42.3880 43.1135 43.2678 1788 1789 k = 0.1397 0.1133 0.0000 band energies (ev): 1790 1791 -114.1637-114.1637 -68.8284 -68.8273 -68.8191 -68.8187 -68.8179 -68.8171 1792 -8.5477 -8.3275 2.5286 2.7745 2.9566 3.3040 3.4257 3.5239 1793 3.9026 4.0044 4.1476 4.2015 4.7301 4.9082 5.5761 6.0934 1794 7.1282 7.4937 14.4036 15.4555 16.0236 16.8300 18.9810 20.7326 1795 21.0136 22.2457 24.3458 27.3486 28.0501 28.6879 31.3588 33.3347 1796 33.6559 33.8818 35.7483 35.9874 36.1599 37.5162 39.2279 39.3371 1797 40.5131 42.5106 43.0555 43.5204 1798 1799 k = 0.1379 0.1164 0.0000 band energies (ev): 1800 1801 -114.1637-114.1637 -68.8283 -68.8273 -68.8191 -68.8187 -68.8179 -68.8171 1802 -8.5430 -8.3278 2.5384 2.7981 2.9537 3.2935 3.4329 3.5297 1803 3.9001 3.9967 4.1509 4.1981 4.7332 4.9188 5.5493 6.0793 1804 7.1066 7.4616 14.4606 15.5093 16.0285 16.8327 18.9839 20.7163 1805 20.9204 22.1765 24.3352 27.4370 28.1989 28.6825 31.3271 33.2874 1806 33.7690 33.8296 35.7081 36.0285 36.0647 37.4504 39.0275 39.0944 1807 40.7309 42.6379 42.9944 43.7587 1808 1809 k = 0.1362 0.1195 0.0000 band energies (ev): 1810 1811 -114.1637-114.1637 -68.8283 -68.8274 -68.8191 -68.8187 -68.8179 -68.8172 1812 -8.5378 -8.3282 2.5489 2.8242 2.9510 3.2826 3.4407 3.5357 1813 3.8974 3.9887 4.1543 4.1941 4.7365 4.9299 5.5157 6.0694 1814 7.0825 7.4275 14.5226 15.5662 16.0336 16.8353 18.9872 20.6594 1815 20.8676 22.1057 24.3098 27.5310 28.3624 28.6870 31.2937 33.2082 1816 33.8011 33.8864 35.6652 35.9636 36.0811 37.3706 38.8427 38.8544 1817 40.9584 42.7694 42.9321 43.9801 1818 1819 k = 0.1344 0.1225 0.0000 band energies (ev): 1820 1821 -114.1637-114.1637 -68.8283 -68.8274 -68.8191 -68.8187 -68.8180 -68.8172 1822 -8.5322 -8.3288 2.5601 2.8529 2.9484 3.2715 3.4492 3.5417 1823 3.8944 3.9806 4.1577 4.1893 4.7400 4.9414 5.4750 6.0644 1824 7.0559 7.3920 14.5891 15.6251 16.0391 16.8376 18.9909 20.5624 1825 20.8565 22.0349 24.2691 27.6295 28.5258 28.7159 31.2589 33.0981 1826 33.7965 34.0058 35.6201 35.8734 36.1282 37.2753 38.6186 38.6756 1827 41.1940 42.8698 42.9041 44.1868 1828 1829 k = 0.1326 0.1256 0.0000 band energies (ev): 1830 1831 -114.1637-114.1637 -68.8283 -68.8274 -68.8191 -68.8187 -68.8180 -68.8172 1832 -8.5261 -8.3294 2.5717 2.8839 2.9463 3.2601 3.4585 3.5477 1833 3.8912 3.9724 4.1608 4.1837 4.7436 4.9529 5.4276 6.0648 1834 7.0270 7.3554 14.6596 15.6850 16.0447 16.8394 18.9950 20.4495 1835 20.8642 21.9657 24.2135 27.7318 28.6298 28.8281 31.2234 32.9635 1836 33.8104 34.1250 35.5733 35.7880 36.1750 37.1643 38.3884 38.5273 1837 41.4366 42.8088 43.0406 44.3839 1838 1839 k = 0.1309 0.1286 0.0000 band energies (ev): 1840 1841 -114.1637-114.1637 -68.8283 -68.8274 -68.8191 -68.8187 -68.8180 -68.8173 1842 -8.5196 -8.3303 2.5836 2.9172 2.9448 3.2485 3.4684 3.5538 1843 3.8877 3.9644 4.1635 4.1773 4.7474 4.9641 5.3744 6.0702 1844 6.9962 7.3178 14.7337 15.7450 16.0505 16.8403 18.9996 20.3327 1845 20.8799 21.8997 24.1436 27.8369 28.6709 29.0263 31.1875 32.8111 1846 33.8373 34.2414 35.5252 35.7080 36.2191 37.0387 38.1656 38.3978 1847 41.6850 42.7505 43.1771 44.5769 1848 1849 k = 0.1291 0.1317 0.0000 band energies (ev): 1850 1851 -114.1637-114.1637 -68.8283 -68.8274 -68.8190 -68.8186 -68.8181 -68.8173 1852 -8.5128 -8.3313 2.5956 2.9440 2.9527 3.2369 3.4789 3.5601 1853 3.8840 3.9565 4.1655 4.1700 4.7513 4.9749 5.3164 6.0803 1854 6.9638 7.2796 14.8108 15.8042 16.0562 16.8399 19.0046 20.2166 1855 20.9002 21.8383 24.0605 27.9443 28.7025 29.2559 31.1516 32.6459 1856 33.8730 34.3525 35.4762 35.6339 36.2575 36.9012 37.9528 38.2856 1857 41.9386 42.6963 43.3114 44.7698 1858 1859 k = 0.1273 0.1348 0.0000 band energies (ev): 1860 1861 -114.1637-114.1637 -68.8282 -68.8274 -68.8190 -68.8186 -68.8181 -68.8173 1862 -8.5056 -8.3326 2.6074 2.9442 2.9900 3.2253 3.4902 3.5665 1863 3.8800 3.9490 4.1619 4.1666 4.7554 4.9850 5.2548 6.0947 1864 6.9303 7.2407 14.8905 15.8617 16.0619 16.8377 19.0101 20.1031 1865 20.9237 21.7832 23.9654 28.0532 28.7372 29.5028 31.1160 32.4713 1866 33.9151 34.4553 35.4264 35.5659 36.2860 36.7560 37.7538 38.1883 1867 42.1966 42.6475 43.4411 44.9649 1868 1869 k = 0.1256 0.1378 0.0000 band energies (ev): 1870 1871 -114.1637-114.1637 -68.8282 -68.8275 -68.8190 -68.8186 -68.8181 -68.8174 1872 -8.4981 -8.3341 2.6189 2.9454 3.0290 3.2139 3.5022 3.5731 1873 3.8759 3.9420 4.1528 4.1664 4.7598 4.9939 5.1910 6.1129 1874 6.8963 7.2013 14.9723 15.9167 16.0675 16.8330 19.0161 19.9936 1875 20.9500 21.7356 23.8597 28.1633 28.7775 29.7632 31.0811 32.2897 1876 33.9618 34.5468 35.3759 35.5039 36.2985 36.6083 37.5746 38.1031 1877 42.4584 42.6057 43.5632 45.1635 1878 1879 k = 0.1238 0.1409 0.0000 band energies (ev): 1880 1881 -114.1637-114.1637 -68.8282 -68.8275 -68.8190 -68.8186 -68.8182 -68.8174 1882 -8.4903 -8.3359 2.6297 2.9479 3.0693 3.2026 3.5149 3.5801 1883 3.8715 3.9354 4.1429 4.1644 4.7645 5.0015 5.1260 6.1345 1884 6.8625 7.1613 15.0558 15.9686 16.0728 16.8251 19.0225 19.8890 1885 20.9789 21.6969 23.7446 28.2741 28.8240 30.0348 31.0469 32.1030 1886 34.0117 34.6235 35.3239 35.4482 36.2867 36.4641 37.4230 38.0273 1887 42.5721 42.7233 43.6740 45.3662 1888 1889 k = 0.1220 0.1440 0.0000 band energies (ev): 1890 1891 -114.1637-114.1637 -68.8282 -68.8275 -68.8189 -68.8186 -68.8182 -68.8175 1892 -8.4823 -8.3380 2.6398 2.9517 3.1100 3.1922 3.5284 3.5877 1893 3.8669 3.9295 4.1320 4.1602 4.7697 5.0075 5.0613 6.1591 1894 6.8295 7.1206 15.1405 16.0169 16.0777 16.8134 19.0293 19.7899 1895 21.0100 21.6683 23.6215 28.3852 28.8766 30.3162 31.0135 31.9131 1896 34.0639 34.6819 35.2689 35.3987 36.2416 36.3298 37.3078 37.9588 1897 42.5480 42.9907 43.7692 45.5729 1898 1899 k = 0.1202 0.1470 0.0000 band energies (ev): 1900 1901 -114.1637-114.1637 -68.8281 -68.8275 -68.8189 -68.8185 -68.8182 -68.8175 1902 -8.4741 -8.3404 2.6488 2.9569 3.1473 3.1860 3.5427 3.5960 1903 3.8621 3.9243 4.1201 4.1530 4.7754 4.9981 5.0115 6.1864 1904 6.7979 7.0791 15.2262 16.0612 16.0822 16.7972 19.0367 19.6969 1905 21.0434 21.6508 23.4917 28.4964 28.9352 30.6057 30.9805 31.7216 1906 34.1175 34.7192 35.2083 35.3554 36.1578 36.2126 37.2339 37.8958 1907 42.5347 43.2598 43.8434 45.6688 1908 1909 k = 0.1185 0.1501 0.0000 band energies (ev): 1910 1911 -114.1637-114.1637 -68.8281 -68.8276 -68.8189 -68.8185 -68.8183 -68.8176 1912 -8.4657 -8.3432 2.6568 2.9636 3.1591 3.2057 3.5578 3.6054 1913 3.8571 3.9200 4.1072 4.1423 4.7819 4.9377 5.0132 6.2162 1914 6.7684 7.0368 15.3123 16.0862 16.1009 16.7759 19.0446 19.6103 1915 21.0789 21.6452 23.3562 28.6076 28.9994 30.9021 30.9466 31.5308 1916 34.1715 34.7332 35.1395 35.3182 36.0383 36.1182 37.1984 37.8370 1917 42.5333 43.5292 43.8915 45.6116 1918 1919 k = 0.1167 0.1531 0.0000 band energies (ev): 1920 1921 -114.1637-114.1637 -68.8281 -68.8276 -68.8189 -68.8185 -68.8183 -68.8176 1922 -8.4572 -8.3464 2.6635 2.9717 3.1512 3.2445 3.5738 3.6163 1923 3.8518 3.9165 4.0934 4.1275 4.7891 4.8816 5.0125 6.2483 1924 6.7414 6.9936 15.3985 16.0897 16.1359 16.7491 19.0530 19.5305 1925 21.1164 21.6520 23.2163 28.7185 29.0687 30.9086 31.2037 31.3450 1926 34.2254 34.7227 35.0618 35.2870 35.8921 36.0500 37.1921 37.7816 1927 42.5446 43.7909 43.9150 45.5603 1928 1929 k = 0.1149 0.1562 0.0000 band energies (ev): 1930 1931 -114.1637-114.1637 -68.8280 -68.8276 -68.8188 -68.8185 -68.8183 -68.8176 1932 -8.4487 -8.3501 2.6691 2.9811 3.1409 3.2844 3.5907 3.6291 1933 3.8463 3.9141 4.0786 4.1081 4.7965 4.8317 5.0091 6.2824 1934 6.7175 6.9497 15.4846 16.0926 16.1655 16.7169 19.0621 19.4577 1935 21.1555 21.6714 23.0731 28.8291 29.1426 30.8566 31.1750 31.5085 1936 34.2783 34.6863 34.9798 35.2612 35.7293 36.0064 37.2050 37.7290 1937 42.5695 43.8709 44.0840 45.5298 1938 1939 k = 0.1132 0.1593 0.0000 band energies (ev): 1940 1941 -114.1637-114.1637 -68.8280 -68.8276 -68.8188 -68.8185 -68.8184 -68.8177 1942 -8.4401 -8.3542 2.6735 2.9915 3.1301 3.3222 3.6085 3.6445 1943 3.8404 3.9129 4.0627 4.0840 4.7823 4.8111 5.0029 6.3183 1944 6.6968 6.9050 15.5702 16.0948 16.1890 16.6799 19.0720 19.3922 1945 21.1961 21.7033 22.9277 28.9393 29.2206 30.7662 31.0458 31.8140 1946 34.3296 34.6231 34.9023 35.2394 35.5583 35.9820 37.2296 37.6787 1947 42.6083 43.8193 44.3491 45.5243 1948 1949 k = 0.1114 0.1623 0.0000 band energies (ev): 1950 1951 -114.1637-114.1637 -68.8280 -68.8277 -68.8188 -68.8185 -68.8184 -68.8177 1952 -8.4315 -8.3587 2.6769 3.0028 3.1191 3.3564 3.6272 3.6627 1953 3.8339 3.9129 4.0460 4.0557 4.7462 4.8210 4.9938 6.3560 1954 6.6793 6.8600 15.6550 16.0963 16.2049 16.6395 19.0827 19.3340 1955 21.2374 21.7474 22.7815 29.0490 29.3019 30.6214 30.9740 32.1160 1956 34.3790 34.5376 34.8352 35.2155 35.3899 35.9705 37.2608 37.6306 1957 42.6614 43.7356 44.6146 45.5407 1958 1959 k = 0.1096 0.1654 0.0000 band energies (ev): 1960 1961 -114.1637-114.1637 -68.8280 -68.8277 -68.8188 -68.8185 -68.8184 -68.8177 1962 -8.4229 -8.3638 2.6793 3.0147 3.1081 3.3855 3.6466 3.6839 1963 3.8266 3.9144 4.0246 4.0283 4.7160 4.8340 4.9818 6.3952 1964 6.6645 6.8155 15.7388 16.0973 16.2106 16.5986 19.0944 19.2833 1965 21.2788 21.8030 22.6360 29.1581 29.3860 30.4449 30.9376 32.4078 1966 34.4261 34.4433 34.7778 35.1460 35.2701 35.9660 37.2952 37.5849 1967 42.7288 43.6302 44.8762 45.5720 1968 1969 k = 0.1079 0.1685 0.0000 band energies (ev): 1970 1971 -114.1637-114.1637 -68.8279 -68.8277 -68.8187 -68.8185 -68.8185 -68.8177 1972 -8.4145 -8.3695 2.6810 3.0269 3.0970 3.4086 3.6667 3.7066 1973 3.8180 3.9175 3.9936 4.0097 4.6928 4.8490 4.9671 6.4359 1974 6.6505 6.7734 15.8214 16.0976 16.2021 16.5617 19.1073 19.2400 1975 21.3186 21.8694 22.4932 29.2662 29.4719 30.2571 30.9169 32.6770 1976 34.3602 34.4710 34.7267 34.9906 35.2405 35.9646 37.3308 37.5416 1977 42.8100 43.5113 45.1307 45.6104 1978 1979 k = 0.1061 0.1715 0.0000 band energies (ev): 1980 1981 -114.1637-114.1637 -68.8279 -68.8278 -68.8187 -68.8185 -68.8185 -68.8178 1982 -8.4062 -8.3758 2.6820 3.0392 3.0859 3.4253 3.6872 3.7273 1983 3.8077 3.9224 3.9677 3.9905 4.6766 4.8663 4.9496 6.4778 1984 6.6329 6.7381 15.9026 16.0974 16.1750 16.5338 19.1214 19.2041 1985 21.3543 21.9454 22.3561 29.3723 29.5590 30.0667 30.9047 32.9015 1986 34.3159 34.5137 34.6795 34.8171 35.2337 35.9638 37.3660 37.5011 1987 42.9047 43.3854 45.3734 45.6494 1988 1989 k = 0.1043 0.1746 0.0000 band energies (ev): 1990 1991 -114.1637-114.1637 -68.8279 -68.8278 -68.8187 -68.8185 -68.8185 -68.8178 1992 -8.3980 -8.3826 2.6826 3.0513 3.0746 3.4354 3.7077 3.7377 1993 3.7982 3.9291 3.9530 3.9709 4.6669 4.8858 4.9297 6.5209 1994 6.6050 6.7166 15.9822 16.0967 16.1270 16.5180 19.1370 19.1755 1995 21.3817 22.0300 22.2297 29.4723 29.6463 29.8809 30.8982 33.0487 1996 34.3453 34.5546 34.6354 34.6426 35.2322 35.9628 37.3997 37.4641 1997 43.0121 43.2574 45.5797 45.7013 1998 1999 k = 0.1026 0.1776 0.0000 band energies (ev): 2000 2001 -114.1637-114.1637 -68.8278 -68.8278 -68.8187 -68.8185 -68.8185 -68.8178 2002 -8.3901 -8.3901 2.6827 3.0632 3.0632 3.4388 3.7278 3.7278 2003 3.7952 3.9347 3.9545 3.9545 4.6637 4.9076 4.9076 6.5650 2004 6.5650 6.7104 16.0597 16.0597 16.0960 16.5133 19.1540 19.1540 2005 21.3930 22.1218 22.1218 29.5347 29.7327 29.7327 30.8962 33.0964 2006 34.4705 34.4705 34.5944 34.5944 35.2321 35.9621 37.4313 37.4313 2007 43.1311 43.1312 45.6390 45.8633 2008 2009 k = 0.1008 0.1746 0.0000 band energies (ev): 2010 2011 -114.1637-114.1637 -68.8279 -68.8278 -68.8187 -68.8185 -68.8185 -68.8178 2012 -8.3982 -8.3824 2.6826 3.0514 3.0745 3.4353 3.7026 3.7469 2013 3.7956 3.9229 3.9580 3.9708 4.6670 4.8836 4.9320 6.5174 2014 6.6100 6.7150 15.9770 16.0934 16.1368 16.5169 19.1396 19.1728 2015 21.3778 22.0435 22.2197 29.4339 29.7483 29.8171 30.8981 33.0590 2016 34.3020 34.5568 34.6336 34.6748 35.2316 35.9639 37.4041 37.4601 2017 43.0091 43.2607 45.6114 45.6637 2018 2019 k = 0.0990 0.1715 0.0000 band energies (ev): 2020 2021 -114.1637-114.1637 -68.8279 -68.8278 -68.8187 -68.8185 -68.8184 -68.8178 2022 -8.4070 -8.3750 2.6823 3.0392 3.0852 3.4241 3.6734 3.7645 2023 3.7944 3.9024 3.9736 3.9960 4.6767 4.8580 4.9590 6.4657 2024 6.6559 6.7267 15.8825 16.0920 16.2105 16.5260 19.1320 19.1934 2025 21.3273 22.0038 22.3223 29.2556 29.8425 29.8984 30.9033 32.9685 2026 34.1379 34.5237 34.6728 34.9194 35.2290 35.9735 37.3847 37.4857 2027 42.8928 43.3995 45.4620 45.5312 2028 2029 k = 0.0973 0.1685 0.0000 band energies (ev): 2030 2031 -114.1637-114.1637 -68.8279 -68.8277 -68.8187 -68.8185 -68.8184 -68.8178 2032 -8.4165 -8.3680 2.6819 3.0263 3.0951 3.4050 3.6463 3.7798 2033 3.7917 3.8809 3.9940 4.0244 4.6933 4.8311 4.9888 6.4117 2034 6.7024 6.7436 15.7788 16.0903 16.2823 16.5389 19.1309 19.2158 2035 21.2426 22.0018 22.4285 29.0680 29.9474 29.9753 30.9116 32.8494 2036 33.9790 34.4957 34.7125 35.1665 35.2234 36.0019 37.3766 37.5079 2037 42.7830 43.5458 45.2601 45.3940 2038 2039 k = 0.0955 0.1654 0.0000 band energies (ev): 2040 2041 -114.1637-114.1637 -68.8280 -68.8277 -68.8187 -68.8185 -68.8184 -68.8177 2042 -8.4267 -8.3613 2.6814 3.0126 3.1042 3.3785 3.6237 3.7881 2043 3.7915 3.8606 4.0185 4.0523 4.7168 4.8031 5.0214 6.3563 2044 6.7496 6.7649 15.6680 16.0886 16.3519 16.5543 19.1360 19.2403 2045 21.1336 22.0281 22.5368 28.8794 30.0466 30.0547 30.9227 32.7151 2046 33.8259 34.4742 34.7531 35.2139 35.3757 36.0700 37.3863 37.5262 2047 42.6793 43.6971 45.0603 45.2005 2048 2049 k = 0.0937 0.1623 0.0000 band energies (ev): 2050 2051 -114.1637-114.1637 -68.8280 -68.8276 -68.8187 -68.8185 -68.8183 -68.8177 2052 -8.4377 -8.3550 2.6810 2.9978 3.1124 3.3464 3.6060 3.7841 2053 3.7960 3.8454 4.0467 4.0774 4.7474 4.7745 5.0571 6.2999 2054 6.7897 6.7972 15.5512 16.0870 16.4191 16.5719 19.1471 19.2670 2055 21.0107 22.0725 22.6463 28.6915 30.1108 30.1625 30.9362 32.5730 2056 33.6792 34.4603 34.7943 35.2005 35.5107 36.1967 37.4244 37.5405 2057 42.5800 43.8496 44.8660 44.9610 2058 2059 k = 0.0920 0.1593 0.0000 band energies (ev): 2060 2061 -114.1637-114.1637 -68.8280 -68.8276 -68.8187 -68.8186 -68.8183 -68.8177 2062 -8.4493 -8.3492 2.6806 2.9814 3.1196 3.3111 3.5921 3.7799 2063 3.7874 3.8416 4.0781 4.0987 4.7453 4.7846 5.0960 6.2430 2064 6.8179 6.8452 15.4297 16.0855 16.4837 16.5912 19.1638 19.2958 2065 20.8809 22.1284 22.7557 28.5051 30.1668 30.2696 30.9520 32.4271 2066 33.5396 34.4552 34.8353 35.1844 35.5723 36.3603 37.5081 37.5507 2067 42.4815 43.9940 44.6857 44.6931 2068 2069 k = 0.0902 0.1562 0.0000 band energies (ev): 2070 2071 -114.1637-114.1637 -68.8281 -68.8276 -68.8188 -68.8186 -68.8183 -68.8177 2072 -8.4617 -8.3438 2.6803 2.9633 3.1258 3.2750 3.5806 3.7689 2073 3.7757 3.8463 4.1124 4.1156 4.7160 4.8277 5.1384 6.1860 2074 6.8488 6.8935 15.3041 16.0844 16.5456 16.6123 19.1857 19.3271 2075 20.7487 22.1917 22.8641 28.3206 30.2135 30.3748 30.9701 32.2798 2076 33.4080 34.4601 34.8731 35.1685 35.5900 36.5099 37.5565 37.6568 2077 42.3780 44.0983 44.4160 44.5499 2078 2079 k = 0.0884 0.1531 0.0000 band energies (ev): 2080 2081 -114.1637-114.1637 -68.8281 -68.8275 -68.8188 -68.8186 -68.8182 -68.8176 2082 -8.4749 -8.3390 2.6802 2.9430 3.1310 3.2401 3.5705 3.7469 2083 3.7716 3.8535 4.1284 4.1490 4.6867 4.8759 5.1846 6.1290 2084 6.8823 6.9420 15.1751 16.0835 16.6046 16.6351 19.2122 19.3607 2085 20.6169 22.2601 22.9704 28.1383 30.2500 30.4765 30.9906 32.1324 2086 33.2852 34.4760 34.9014 35.1599 35.5853 36.6150 37.5579 37.8775 2087 42.2605 44.0796 44.1492 44.5394 2088 2089 k = 0.0866 0.1501 0.0000 band energies (ev): 2090 2091 -114.1637-114.1637 -68.8282 -68.8275 -68.8188 -68.8186 -68.8182 -68.8176 2092 -8.4888 -8.3346 2.6802 2.9204 3.1350 3.2076 3.5610 3.7239 2093 3.7676 3.8612 4.1375 4.1874 4.6575 4.9279 5.2347 6.0725 2094 6.9180 6.9907 15.0434 16.0830 16.6596 16.6605 19.2427 19.3970 2095 20.4880 22.3317 23.0737 27.9582 30.2757 30.5721 31.0149 31.9861 2096 33.1724 34.5036 34.9099 35.1694 35.5688 36.6762 37.5548 38.1577 2097 42.1173 43.9118 43.9434 44.6456 2098 2099 k = 0.0849 0.1470 0.0000 band energies (ev): 2100 2101 -114.1637-114.1637 -68.8282 -68.8275 -68.8187 -68.8186 -68.8182 -68.8176 2102 -8.5034 -8.3307 2.6804 2.8954 3.1378 3.1783 3.5515 3.7009 2103 3.7638 3.8688 4.1435 4.2270 4.6288 4.9826 5.2891 6.0169 2104 6.9557 7.0393 14.9093 16.0829 16.6859 16.7129 19.2762 19.4358 2105 20.3640 22.4057 23.1732 27.7807 30.2903 30.6575 31.0451 31.8414 2106 33.0706 34.5434 34.8933 35.2033 35.5451 36.7071 37.5471 38.4772 2107 41.9367 43.7204 43.7702 44.7814 2108 2109 k = 0.0831 0.1440 0.0000 band energies (ev): 2110 2111 -114.1637-114.1637 -68.8283 -68.8274 -68.8187 -68.8186 -68.8181 -68.8175 2112 -8.5187 -8.3275 2.6808 2.8683 3.1394 3.1526 3.5418 3.6781 2113 3.7602 3.8760 4.1470 4.2674 4.6006 5.0392 5.3478 5.9625 2114 6.9952 7.0878 14.7733 16.0831 16.7143 16.7615 19.3113 19.4775 2115 20.2473 22.4811 23.2682 27.6058 30.2939 30.7270 31.0852 31.6988 2116 32.9812 34.5953 34.8564 35.2576 35.5166 36.7201 37.5350 38.8196 2117 41.7121 43.5847 43.5886 44.9044 2118 2119 k = 0.0813 0.1409 0.0000 band energies (ev): 2120 2121 -114.1637-114.1637 -68.8283 -68.8274 -68.8187 -68.8186 -68.8181 -68.8175 2122 -8.5347 -8.3248 2.6815 2.8396 3.1304 3.1397 3.5315 3.6560 2123 3.7569 3.8828 4.1484 4.3081 4.5733 5.0968 5.4107 5.9098 2124 7.0362 7.1362 14.6358 16.0836 16.7447 16.8059 19.3459 19.5219 2125 20.1409 22.5571 23.3579 27.4336 30.2871 30.7747 31.1389 31.5587 2126 32.9053 34.6590 34.8067 35.3260 35.4843 36.7228 37.5184 39.1734 2127 41.4457 43.4072 43.5049 44.9759 2128 2129 k = 0.0796 0.1378 0.0000 band energies (ev): 2130 2131 -114.1637-114.1637 -68.8283 -68.8273 -68.8187 -68.8186 -68.8180 -68.8175 2132 -8.5515 -8.3226 2.6823 2.8100 3.1111 3.1385 3.5206 3.6347 2133 3.7539 3.8892 4.1484 4.3483 4.5472 5.1548 5.4779 5.8594 2134 7.0787 7.1844 14.4970 16.0843 16.7773 16.8456 19.3764 19.5693 2135 20.0494 22.6332 23.4417 27.2642 30.2707 30.7987 31.2062 31.4213 2136 32.8442 34.7335 34.7493 35.4043 35.4487 36.7198 37.4976 39.5295 2137 41.1461 43.2311 43.4735 44.9493 2138 2139 k = 0.0778 0.1348 0.0000 band energies (ev): 2140 2141 -114.1637-114.1637 -68.8284 -68.8273 -68.8187 -68.8186 -68.8180 -68.8174 2142 -8.5689 -8.3211 2.6834 2.7801 3.0945 3.1360 3.5089 3.6144 2143 3.7512 3.8951 4.1473 4.3868 4.5229 5.2131 5.5488 5.8119 2144 7.1223 7.2322 14.3573 16.0850 16.8124 16.8799 19.3975 19.6198 2145 19.9788 22.7088 23.5191 27.0978 30.2458 30.8013 31.2827 31.2870 2146 32.7988 34.6875 34.8174 35.4103 35.4901 36.7137 37.4727 39.8788 2147 40.8236 43.0660 43.4814 44.8234 2148 2149 k = 0.0760 0.1317 0.0000 band energies (ev): 2150 2151 -114.1637-114.1637 -68.8284 -68.8273 -68.8187 -68.8186 -68.8180 -68.8174 2152 -8.5869 -8.3201 2.6848 2.7504 3.0799 3.1320 3.4964 3.5951 2153 3.7487 3.9004 4.1454 4.4208 4.5028 5.2716 5.6230 5.7680 2154 7.1669 7.2797 14.2169 16.0856 16.8499 16.9083 19.4029 19.6733 2155 19.9366 22.7834 23.5896 26.9343 30.2139 30.7862 31.1558 31.3633 2156 32.7695 34.6235 34.9083 35.3699 35.5818 36.7062 37.4444 40.2096 2157 40.4873 42.9202 43.5202 44.5226 2158 2159 k = 0.0743 0.1286 0.0000 band energies (ev): 2160 2161 -114.1637-114.1637 -68.8285 -68.8272 -68.8186 -68.8186 -68.8179 -68.8174 2162 -8.6056 -8.3198 2.6864 2.7217 3.0669 3.1266 3.4830 3.5769 2163 3.7467 3.9050 4.1430 4.4398 4.4970 5.3304 5.7000 5.7284 2164 7.2123 7.3266 14.0761 16.0859 16.8902 16.9301 19.3889 19.7301 2165 19.9273 22.8563 23.6529 26.7741 30.1763 30.7562 31.0280 31.4438 2166 32.7563 34.5592 35.0015 35.3303 35.6773 36.6983 37.4135 40.1443 2167 40.5045 42.8074 43.5833 44.1791 2168 2169 k = 0.0725 0.1256 0.0000 band energies (ev): 2170 2171 -114.1637-114.1637 -68.8285 -68.8272 -68.8186 -68.8186 -68.8179 -68.8173 2172 -8.6248 -8.3200 2.6882 2.6941 3.0552 3.1197 3.4688 3.5598 2173 3.7449 3.9089 4.1402 4.4327 4.5157 5.3895 5.6942 5.7793 2174 7.2585 7.3731 13.9349 16.0855 16.9333 16.9446 19.3592 19.7901 2175 19.9483 22.9272 23.7087 26.6170 30.1347 30.7137 30.9038 31.5212 2176 32.7586 34.4962 35.0830 35.3032 35.7743 36.6908 37.3812 39.8001 2177 40.7383 42.7469 43.6608 43.8435 2178 2179 k = 0.0707 0.1225 0.0000 band energies (ev): 2180 2181 -114.1638-114.1637 -68.8286 -68.8272 -68.8186 -68.8186 -68.8179 -68.8173 2182 -8.6446 -8.3209 2.6681 2.6903 3.0446 3.1114 3.4537 3.5437 2183 3.7436 3.9119 4.1373 4.4158 4.5419 5.4492 5.6664 5.8604 2184 7.3052 7.4190 13.7938 16.0841 16.9512 16.9794 19.3221 19.8534 2185 19.9922 22.9957 23.7566 26.4632 30.0905 30.6605 30.7834 31.5934 2186 32.7749 34.4362 35.1125 35.3267 35.8691 36.6839 37.3497 39.4594 2187 40.8828 42.7538 43.4885 43.7788 2188 2189 k = 0.0690 0.1195 0.0000 band energies (ev): 2190 2191 -114.1638-114.1637 -68.8286 -68.8271 -68.8186 -68.8185 -68.8178 -68.8173 2192 -8.6650 -8.3223 2.6439 2.6927 3.0346 3.1019 3.4379 3.5285 2193 3.7426 3.9141 4.1342 4.3977 4.5662 5.5096 5.6460 5.9427 2194 7.3524 7.4642 13.6526 16.0812 16.9496 17.0287 19.2855 19.9200 2195 20.0518 23.0612 23.7967 26.3129 30.0450 30.5982 30.6673 31.6585 2196 32.8038 34.3806 35.0775 35.4108 35.9562 36.6779 37.3226 39.1266 2197 40.9248 42.8068 43.1592 43.8916 2198 2199 k = 0.0672 0.1164 0.0000 band energies (ev): 2200 2201 -114.1638-114.1637 -68.8286 -68.8271 -68.8186 -68.8185 -68.8178 -68.8172 2202 -8.6857 -8.3243 2.6216 2.6953 3.0253 3.0913 3.4213 3.5139 2203 3.7420 3.9152 4.1312 4.3805 4.5859 5.5709 5.6339 6.0258 2204 7.3998 7.5087 13.5117 16.0762 16.9397 17.0813 19.2549 19.9901 2205 20.1222 23.1234 23.8288 26.1661 29.9994 30.5284 30.5557 31.7154 2206 32.8432 34.3309 35.0131 35.5176 36.0276 36.6730 37.3047 38.8065 2207 40.8794 42.8075 42.8342 43.7545 2208 2209 k = 0.0654 0.1133 0.0000 band energies (ev): 2210 2211 -114.1638-114.1637 -68.8287 -68.8271 -68.8185 -68.8185 -68.8178 -68.8172 2212 -8.7070 -8.3268 2.6013 2.6981 3.0164 3.0796 3.4039 3.4997 2213 3.7418 3.9153 4.1283 4.3647 4.5998 5.6310 5.6331 6.1093 2214 7.4473 7.5524 13.3712 16.0686 16.9219 17.1374 19.2336 20.0636 2215 20.2003 23.1821 23.8528 26.0229 29.9545 30.4495 30.4524 31.7626 2216 32.8910 34.2884 34.9336 35.6306 36.0728 36.6692 37.3018 38.5056 2217 40.7754 42.5172 42.6483 43.6488 2218 2219 k = 0.0637 0.1103 0.0000 band energies (ev): 2220 2221 -114.1638-114.1637 -68.8287 -68.8270 -68.8185 -68.8184 -68.8177 -68.8172 2222 -8.7286 -8.3299 2.5832 2.7012 3.0079 3.0672 3.3859 3.4857 2223 3.7420 3.9144 4.1256 4.3506 4.6074 5.6378 5.6964 6.1928 2224 7.4949 7.5953 13.2312 16.0572 16.8971 17.1970 19.2234 20.1405 2225 20.2841 23.2371 23.8690 25.8834 29.9105 30.3499 30.3715 31.7991 2226 32.9447 34.2543 34.8422 35.7439 36.0803 36.6664 37.3168 38.2337 2227 40.6377 42.2098 42.3659 43.5466 2228 2229 k = 0.0619 0.1072 0.0000 band energies (ev): 2230 2231 -114.1638-114.1637 -68.8288 -68.8270 -68.8185 -68.8184 -68.8177 -68.8171 2232 -8.7505 -8.3335 2.5672 2.7045 2.9996 3.0542 3.3673 3.4716 2233 3.7427 3.9125 4.1229 4.3384 4.6084 5.6542 5.7608 6.2760 2234 7.5424 7.6374 13.0917 16.0412 16.8665 17.2605 19.2250 20.2209 2235 20.3722 23.2883 23.8774 25.7477 29.8669 30.2584 30.2865 31.8239 2236 33.0020 34.2299 34.7394 35.8548 36.0420 36.6644 37.3397 38.0103 2237 40.4822 41.9132 42.0326 43.4550 2238 2239 k = 0.0601 0.1041 0.0000 band energies (ev): 2240 2241 -114.1638-114.1637 -68.8288 -68.8270 -68.8185 -68.8183 -68.8176 -68.8171 2242 -8.7727 -8.3376 2.5533 2.7079 2.9915 3.0408 3.3483 3.4570 2243 3.7438 3.9096 4.1205 4.3282 4.6035 5.6801 5.8264 6.3586 2244 7.5896 7.6786 12.9530 16.0194 16.8321 17.3278 19.2385 20.3046 2245 20.4635 23.3358 23.8782 25.6160 29.8218 30.1780 30.1983 31.8360 2246 33.0603 34.2162 34.6252 35.9560 35.9612 36.6630 37.3304 37.8787 2247 40.3189 41.6286 41.6822 43.3790 2248 2249 k = 0.0584 0.1011 0.0000 band energies (ev): 2250 2251 -114.1638-114.1637 -68.8289 -68.8269 -68.8184 -68.8183 -68.8176 -68.8171 2252 -8.7951 -8.3421 2.5415 2.7115 2.9835 3.0271 3.3288 3.4418 2253 3.7452 3.9060 4.1182 4.3199 4.5932 5.7146 5.8932 6.4403 2254 7.6365 7.7188 12.8150 15.9904 16.7958 17.3991 19.2637 20.3918 2255 20.5570 23.3798 23.8718 25.4885 29.7725 30.1077 30.1123 31.8344 2256 33.1169 34.2140 34.4994 35.8269 36.0611 36.6617 37.2441 37.8810 2257 40.1535 41.3283 41.3570 43.3201 2258 2259 k = 0.0566 0.0980 0.0000 band energies (ev): 2260 2261 -114.1638-114.1637 -68.8289 -68.8269 -68.8184 -68.8182 -68.8176 -68.8170 2262 -8.8176 -8.3471 2.5317 2.7153 2.9756 3.0133 3.3089 3.4256 2263 3.7471 3.9017 4.1160 4.3133 4.5784 5.7569 5.9612 6.5209 2264 7.6829 7.7581 12.6779 15.9532 16.7601 17.4746 19.2998 20.4821 2265 20.6519 23.4207 23.8583 25.3652 29.7163 30.0150 30.0645 31.8182 2266 33.1686 34.2241 34.3620 35.6632 36.1528 36.6602 37.1100 37.9818 2267 39.9895 40.9780 41.0993 43.2785 2268 2269 k = 0.0548 0.0949 0.0000 band energies (ev): 2270 2271 -114.1638-114.1637 -68.8289 -68.8269 -68.8183 -68.8181 -68.8175 -68.8170 2272 -8.8403 -8.3525 2.5240 2.7192 2.9678 2.9996 3.2887 3.4084 2273 3.7495 3.8971 4.1141 4.3085 4.5602 5.8060 6.0304 6.6001 2274 7.7288 7.7964 12.5418 15.9066 16.7266 17.5544 19.3462 20.5757 2275 20.7471 23.4593 23.8382 25.2463 29.6522 29.9206 30.0362 31.7868 2276 33.2124 34.2130 34.2468 35.4752 36.2344 36.6583 36.9700 38.1312 2277 39.8284 40.6358 40.8562 43.2543 2278 2279 k = 0.0531 0.0919 0.0000 band energies (ev): 2280 2281 -114.1638-114.1637 -68.8290 -68.8268 -68.8183 -68.8181 -68.8175 -68.8170 2282 -8.8631 -8.3582 2.5183 2.7231 2.9601 2.9861 3.2684 3.3899 2283 3.7521 3.8923 4.1123 4.3052 4.5394 5.8611 6.1008 6.6778 2284 7.7740 7.8337 12.4066 15.8505 16.6970 17.6385 19.4019 20.6723 2285 20.8418 23.4963 23.8120 25.1321 29.5818 29.8247 30.0260 31.7393 2286 33.2446 34.0530 34.2822 35.2735 36.3032 36.6560 36.8395 38.3066 2287 39.6708 40.3059 40.6284 43.2473 2288 2289 k = 0.0513 0.0888 0.0000 band energies (ev): 2290 2291 -114.1638-114.1637 -68.8290 -68.8268 -68.8182 -68.8180 -68.8175 -68.8169 2292 -8.8858 -8.3643 2.5144 2.7270 2.9524 2.9729 3.2480 3.3702 2293 3.7552 3.8875 4.1106 4.3032 4.5168 5.9213 6.1724 6.7537 2294 7.8185 7.8699 12.2726 15.7847 16.6721 17.7270 19.4662 20.7717 2295 20.9348 23.5328 23.7799 25.0227 29.5073 29.7276 30.0316 31.6755 2296 33.2616 33.8825 34.3300 35.0679 36.3548 36.6548 36.7226 38.4980 2297 39.5158 39.9929 40.4164 43.2571 2298 2299 k = 0.0495 0.0858 0.0000 band energies (ev): 2300 2301 -114.1638-114.1637 -68.8291 -68.8268 -68.8182 -68.8180 -68.8174 -68.8169 2302 -8.9084 -8.3707 2.5123 2.7310 2.9448 2.9602 3.2275 3.3491 2303 3.7586 3.8829 4.1090 4.3023 4.4932 5.9858 6.2452 6.8277 2304 7.8620 7.9051 12.1397 15.7101 16.6520 17.8201 19.5383 20.8738 2305 21.0250 23.5701 23.7426 24.9184 29.4309 29.6290 30.0506 31.5947 2306 33.2599 33.7024 34.3886 34.8671 36.3826 36.6206 36.6579 38.6999 2307 39.3606 39.7033 40.2207 43.2831 2308 2309 k = 0.0477 0.0827 0.0000 band energies (ev): 2310 2311 -114.1638-114.1637 -68.8291 -68.8268 -68.8182 -68.8179 -68.8174 -68.8169 2312 -8.9309 -8.3773 2.5118 2.7348 2.9371 2.9480 3.2071 3.3268 2313 3.7624 3.8786 4.1076 4.3021 4.4692 6.0540 6.3190 6.8996 2314 7.9046 7.9392 12.0079 15.6276 16.6365 17.9177 19.6175 20.9781 2315 21.1112 23.6097 23.7004 24.8196 29.3542 29.5289 30.0811 31.4971 2316 33.2362 33.5142 34.4527 34.6818 36.3789 36.5348 36.6690 38.9083 2317 39.2001 39.4464 40.0418 43.3245 2318 2319 k = 0.0460 0.0796 0.0000 band energies (ev): 2320 2321 -114.1638-114.1637 -68.8291 -68.8267 -68.8181 -68.8178 -68.8174 -68.8169 2322 -8.9532 -8.3842 2.5130 2.7384 2.9295 2.9365 3.1868 3.3032 2323 3.7665 3.8747 4.1062 4.3024 4.4454 6.1252 6.3939 6.9693 2324 7.9462 7.9722 11.8774 15.5385 16.6250 18.0200 19.7032 21.0845 2325 21.1922 23.6533 23.6539 24.7265 29.2780 29.4269 30.1213 31.3830 2326 33.1883 33.3192 34.4544 34.5828 36.3392 36.4662 36.6880 39.0285 2327 39.1192 39.2323 39.8815 43.3801 2328 2329 k = 0.0442 0.0766 0.0000 band energies (ev): 2330 2331 -114.1638-114.1637 -68.8292 -68.8267 -68.8180 -68.8178 -68.8173 -68.8168 2332 -8.9753 -8.3912 2.5156 2.7419 2.9220 2.9257 3.1667 3.2787 2333 3.7708 3.8714 4.1049 4.3028 4.4224 6.1991 6.4697 7.0368 2334 7.9866 8.0041 11.7482 15.4441 16.6169 18.1268 19.7947 21.1924 2335 21.2667 23.6037 23.7024 24.6396 29.2029 29.3227 30.1695 31.2532 2336 33.1147 33.1192 34.3160 34.6493 36.2631 36.4162 36.7108 38.8535 2337 39.0577 39.3226 39.7476 43.4488 2338 2339 k = 0.0424 0.0735 0.0000 band energies (ev): 2340 2341 -114.1638-114.1637 -68.8292 -68.8267 -68.8180 -68.8177 -68.8173 -68.8168 2342 -8.9970 -8.3984 2.5196 2.7450 2.9145 2.9157 3.1469 3.2533 2343 3.7754 3.8685 4.1037 4.3026 4.4008 6.2751 6.5465 7.1019 2344 8.0259 8.0349 11.6203 15.3455 16.6116 18.2383 19.8915 21.3013 2345 21.3337 23.5502 23.7586 24.5593 29.1292 29.2156 30.2240 31.1095 2346 32.9167 33.0156 34.1763 34.7419 36.1511 36.3852 36.7332 38.6953 2347 38.9058 39.4570 39.6997 43.5291 2348 2349 k = 0.0407 0.0704 0.0000 band energies (ev): 2350 2351 -114.1638-114.1637 -68.8293 -68.8267 -68.8179 -68.8176 -68.8173 -68.8168 2352 -9.0183 -8.4057 2.5247 2.7477 2.9066 2.9070 3.1275 3.2272 2353 3.7802 3.8661 4.1025 4.3010 4.3817 6.3528 6.6239 7.1647 2354 8.0638 8.0645 11.4937 15.2439 16.6085 18.3543 19.9930 21.3923 2355 21.4105 23.4939 23.8235 24.4862 29.0570 29.1048 30.2824 30.9541 2356 32.7142 32.8928 34.0515 34.8423 36.0041 36.3735 36.7533 38.5676 2357 38.7643 39.4115 39.8469 43.6192 2358 2359 k = 0.0389 0.0674 0.0000 band energies (ev): 2360 2361 -114.1638-114.1637 -68.8293 -68.8266 -68.8179 -68.8176 -68.8172 -68.8168 2362 -9.0393 -8.4130 2.5310 2.7499 2.8985 2.8996 3.1085 3.2008 2363 3.7851 3.8642 4.1013 4.2966 4.3665 6.4319 6.7020 7.2251 2364 8.0930 8.1005 11.3686 15.1402 16.6070 18.4748 20.0987 21.4419 2365 21.5194 23.4355 23.8982 24.4210 28.9865 28.9894 30.3418 30.7901 2366 32.5154 32.7491 33.9415 34.9475 35.8248 36.3801 36.7700 38.4739 2367 38.6281 39.3176 40.0562 43.7173 2368 2369 k = 0.0371 0.0643 0.0000 band energies (ev): 2370 2371 -114.1638-114.1637 -68.8293 -68.8266 -68.8178 -68.8175 -68.8172 -68.8167 2372 -9.0597 -8.4204 2.5383 2.7515 2.8914 2.8923 3.0899 3.1740 2373 3.7903 3.8628 4.1002 4.2879 4.3566 6.5120 6.7806 7.2833 2374 8.1204 8.1357 11.2448 15.0352 16.6068 18.5997 20.2078 21.4825 2375 21.6269 23.3753 23.9835 24.3643 28.8682 28.9176 30.3978 30.6208 2376 32.3251 32.5876 33.8449 35.0559 35.6176 36.4036 36.7832 38.4086 2377 38.4986 39.2265 40.2751 43.8214 2378 2379 k = 0.0354 0.0613 0.0000 band energies (ev): 2380 2381 -114.1639-114.1637 -68.8294 -68.8266 -68.8178 -68.8175 -68.8172 -68.8167 2382 -9.0796 -8.4277 2.5465 2.7525 2.8850 2.8854 3.0719 3.1473 2383 3.7955 3.8618 4.0991 4.2751 4.3519 6.5928 6.8594 7.3392 2384 8.1466 8.1694 11.1225 14.9297 16.6075 18.7289 20.3198 21.5143 2385 21.7321 23.3140 24.0796 24.3172 28.7402 28.8502 30.4443 30.4499 2386 32.1500 32.4114 33.7599 35.1664 35.3883 36.4419 36.7931 38.3292 2387 38.4130 39.1449 40.4955 43.9297 2388 2389 k = 0.0336 0.0582 0.0000 band energies (ev): 2390 2391 -114.1639-114.1637 -68.8294 -68.8266 -68.8177 -68.8174 -68.8171 -68.8167 2392 -9.0989 -8.4350 2.5553 2.7528 2.8779 2.8805 3.0545 3.1208 2393 3.8008 3.8611 4.0981 4.2599 4.3507 6.6738 6.9381 7.3932 2394 8.1716 8.2017 11.0017 14.8243 16.6089 18.8622 20.4338 21.5382 2395 21.8338 23.2520 24.1867 24.2804 28.6042 28.7842 30.2809 30.4726 2396 31.9991 32.2231 33.6852 35.1426 35.2781 36.4925 36.8001 38.2021 2397 38.3990 39.0744 40.7150 44.0399 2398 2399 k = 0.0318 0.0551 0.0000 band energies (ev): 2400 2401 -114.1639-114.1637 -68.8294 -68.8265 -68.8177 -68.8174 -68.8171 -68.8167 2402 -9.1175 -8.4421 2.5648 2.7523 2.8708 2.8767 3.0377 3.0948 2403 3.8061 3.8607 4.0970 4.2437 4.3515 6.7548 7.0164 7.4456 2404 8.1955 8.2324 10.8824 14.7197 16.6107 18.9993 20.5488 21.5555 2405 21.9305 23.1898 24.2550 24.3041 28.4593 28.7195 30.1170 30.4721 2406 31.8837 32.0255 33.6194 34.8859 35.3901 36.5527 36.8045 38.0650 2407 38.4138 39.0154 40.9324 44.1500 2408 2409 k = 0.0301 0.0521 0.0000 band energies (ev): 2410 2411 -114.1639-114.1637 -68.8295 -68.8265 -68.8176 -68.8174 -68.8170 -68.8167 2412 -9.1354 -8.4491 2.5748 2.7510 2.8639 2.8740 3.0217 3.0693 2413 3.8115 3.8606 4.0960 4.2274 4.3535 6.8352 7.0937 7.4967 2414 8.2181 8.2614 10.7645 14.6164 16.6128 19.1400 20.6634 21.5681 2415 22.0209 23.1278 24.2420 24.4313 28.3055 28.6557 29.9607 30.4330 2416 31.8139 31.8209 33.5617 34.6227 35.5018 36.6200 36.8068 37.9248 2417 38.4467 38.9683 41.1467 44.2579 2418 2419 k = 0.0283 0.0490 0.0000 band energies (ev): 2420 2421 -114.1639-114.1637 -68.8295 -68.8265 -68.8176 -68.8173 -68.8170 -68.8166 2422 -9.1526 -8.4560 2.5850 2.7492 2.8571 2.8721 3.0064 3.0447 2423 3.8168 3.8607 4.0950 4.2115 4.3559 6.9149 7.1695 7.5472 2424 8.2395 8.2889 10.6483 14.5150 16.6151 19.2838 20.7759 21.5783 2425 22.1037 23.0666 24.2423 24.5673 28.1429 28.5929 29.8136 30.3518 2426 31.6116 31.7933 33.5111 34.3569 35.6126 36.6915 36.8074 37.7823 2427 38.4933 38.9335 41.3574 44.3615 2428 2429 k = 0.0265 0.0459 0.0000 band energies (ev): 2430 2431 -114.1639-114.1637 -68.8295 -68.8265 -68.8175 -68.8173 -68.8169 -68.8166 2432 -9.1690 -8.4626 2.5955 2.7467 2.8505 2.8711 2.9920 3.0210 2433 3.8220 3.8610 4.0940 4.1963 4.3587 6.9933 7.2427 7.5980 2434 8.2597 8.3147 10.5337 14.4159 16.6174 19.4305 20.8834 21.5895 2435 22.1776 23.0064 24.2562 24.7109 27.9728 28.5306 29.6763 30.2343 2436 31.3998 31.8164 33.4667 34.0916 35.7218 36.7646 36.8065 37.6382 2437 38.5508 38.9113 41.5639 44.4580 2438 2439 k = 0.0248 0.0429 0.0000 band energies (ev): 2440 2441 -114.1639-114.1637 -68.8295 -68.8265 -68.8175 -68.8173 -68.8169 -68.8166 2442 -9.1845 -8.4690 2.6061 2.7438 2.8440 2.8707 2.9784 2.9985 2443 3.8271 3.8614 4.0930 4.1820 4.3615 7.0700 7.3123 7.6500 2444 8.2787 8.3387 10.4207 14.3198 16.6196 19.5794 20.9821 21.6059 2445 22.2417 22.9477 24.2839 24.8610 27.7973 28.4687 29.5484 30.0911 2446 31.1881 31.8725 33.4278 33.8299 35.8290 36.8044 36.8367 37.4927 2447 38.6169 38.9021 41.7657 44.4920 2448 2449 k = 0.0230 0.0398 0.0000 band energies (ev): 2450 2451 -114.1639-114.1637 -68.8296 -68.8265 -68.8174 -68.8172 -68.8168 -68.8166 2452 -9.1991 -8.4750 2.6167 2.7404 2.8376 2.8708 2.9657 2.9773 2453 3.8321 3.8619 4.0920 4.1685 4.3644 7.1446 7.3770 7.7045 2454 8.2964 8.3611 10.3094 14.2270 16.6218 19.7300 21.0669 21.6329 2455 22.2958 22.8909 24.3246 25.0162 27.6190 28.4071 29.4287 29.9327 2456 30.9786 31.9504 33.3938 33.5749 35.9335 36.8015 36.9054 37.3465 2457 38.6899 38.9064 41.9626 44.3485 2458 2459 k = 0.0212 0.0368 0.0000 band energies (ev): 2460 2461 -114.1639-114.1637 -68.8296 -68.8264 -68.8174 -68.8172 -68.8168 -68.8166 2462 -9.2129 -8.4808 2.6272 2.7368 2.8315 2.8711 2.9538 2.9576 2463 3.8368 3.8625 4.0910 4.1561 4.3672 7.2167 7.4355 7.7627 2464 8.3129 8.3817 10.1999 14.1382 16.6239 19.8815 21.1326 21.6759 2465 22.3397 22.8362 24.3769 25.1752 27.4412 28.3456 29.3155 29.7673 2466 30.7742 32.0403 33.3305 33.3642 36.0349 36.7979 36.9687 37.2003 2467 38.7681 38.9241 42.1541 44.2021 2468 2469 k = 0.0195 0.0337 0.0000 band energies (ev): 2470 2471 -114.1639-114.1637 -68.8296 -68.8264 -68.8173 -68.8172 -68.8168 -68.8166 2472 -9.2256 -8.4862 2.6373 2.7331 2.8256 2.8716 2.9396 2.9430 2473 3.8414 3.8631 4.0901 4.1446 4.3698 7.2857 7.4870 7.8253 2474 8.3280 8.4006 10.0924 14.0539 16.6258 20.0330 21.1767 21.7373 2475 22.3743 22.7839 24.4384 25.3364 27.2676 28.2845 29.2065 29.6005 2476 30.5776 32.1320 33.1029 33.3383 36.1325 36.7936 37.0249 37.0549 2477 38.8501 38.9549 42.3399 44.0544 2478 2479 k = 0.0177 0.0306 0.0000 band energies (ev): 2480 2481 -114.1639-114.1637 -68.8296 -68.8264 -68.8173 -68.8172 -68.8167 -68.8166 2482 -9.2374 -8.4913 2.6471 2.7292 2.8199 2.8719 2.9234 2.9331 2483 3.8457 3.8638 4.0892 4.1341 4.3723 7.3511 7.5313 7.8925 2484 8.3419 8.4178 9.9869 13.9745 16.6275 20.1833 21.2015 21.8144 2485 22.4003 22.7344 24.5058 25.4982 27.1024 28.2243 29.0993 29.4364 2486 30.3919 32.2098 32.9057 33.3159 36.2259 36.7880 36.9122 37.0729 2487 38.9343 38.9980 42.5197 43.9069 2488 2489 k = 0.0159 0.0276 0.0000 band energies (ev): 2490 2491 -114.1639-114.1637 -68.8296 -68.8264 -68.8173 -68.8172 -68.8167 -68.8165 2492 -9.2481 -8.4959 2.6565 2.7253 2.8145 2.8717 2.9094 2.9241 2493 3.8496 3.8644 4.0884 4.1246 4.3746 7.4124 7.5687 7.9635 2494 8.3545 8.4332 9.8837 13.9006 16.6290 20.3312 21.2121 21.9016 2495 22.4192 22.6877 24.5750 25.6584 26.9501 28.1660 28.9915 29.2775 2496 30.2203 32.2398 32.7712 33.2965 36.3144 36.7562 36.7984 37.1121 2497 39.0194 39.0519 42.6930 43.7612 2498 2499 k = 0.0141 0.0245 0.0000 band energies (ev): 2500 2501 -114.1639-114.1637 -68.8296 -68.8264 -68.8172 -68.8172 -68.8166 -68.8165 2502 -9.2578 -8.5001 2.6653 2.7215 2.8094 2.8704 2.8984 2.9161 2503 3.8533 3.8651 4.0876 4.1161 4.3767 7.4692 7.5999 8.0373 2504 8.3658 8.4468 9.7832 13.8327 16.6304 20.4751 21.2136 21.9930 2505 22.4321 22.6440 24.6415 25.8148 26.8156 28.1112 28.8811 29.1252 2506 30.0659 32.1794 32.7415 33.2798 36.3975 36.6282 36.7852 37.1427 2507 39.1038 39.1142 42.8593 43.6197 2508 2509 k = 0.0124 0.0214 0.0000 band energies (ev): 2510 2511 -114.1639-114.1637 -68.8297 -68.8264 -68.8172 -68.8172 -68.8166 -68.8165 2512 -9.2664 -8.5039 2.6734 2.7178 2.8046 2.8668 2.8911 2.9091 2513 3.8566 3.8657 4.0868 4.1086 4.3785 7.5209 7.6259 8.1127 2514 8.3758 8.4587 9.6859 13.7714 16.6316 20.6131 21.2098 22.0837 2515 22.4404 22.6037 24.7001 25.9647 26.7038 28.0623 28.7672 28.9802 2516 29.9311 32.0511 32.7934 33.2656 36.4745 36.4979 36.7803 37.1650 2517 39.1823 39.1857 43.0174 43.4849 2518 2519 k = 0.0106 0.0184 0.0000 band energies (ev): 2520 2521 -114.1639-114.1637 -68.8297 -68.8264 -68.8172 -68.8171 -68.8166 -68.8165 2522 -9.2739 -8.5072 2.6808 2.7144 2.8003 2.8611 2.8877 2.9030 2523 3.8596 3.8663 4.0862 4.1021 4.3801 7.5669 7.6472 8.1882 2524 8.3845 8.4690 9.5925 13.7171 16.6326 20.7428 21.2033 22.1698 2525 22.4452 22.5667 24.7466 26.1047 26.6186 28.0227 28.6507 28.8426 2526 29.8173 31.9053 32.8762 33.2537 36.3751 36.5446 36.7765 37.1799 2527 39.2528 39.2632 43.1637 43.3619 2528 2529 k = 0.0088 0.0153 0.0000 band energies (ev): 2530 2531 -114.1639-114.1637 -68.8297 -68.8264 -68.8172 -68.8171 -68.8166 -68.8165 2532 -9.2803 -8.5100 2.6873 2.7113 2.7964 2.8548 2.8864 2.8979 2533 3.8621 3.8668 4.0856 4.0966 4.3815 7.6069 7.6644 8.2620 2534 8.3920 8.4775 9.5042 13.6702 16.6334 20.8614 21.1958 22.2483 2535 22.4475 22.5336 24.7782 26.2310 26.5620 27.9964 28.5344 28.7119 2536 29.7245 31.7664 32.9650 33.2439 36.2629 36.6071 36.7732 37.1887 2537 39.3220 39.3344 43.2237 43.2404 2538 2539 k = 0.0071 0.0123 0.0000 band energies (ev): 2540 2541 -114.1639-114.1637 -68.8297 -68.8264 -68.8172 -68.8171 -68.8165 -68.8165 2542 -9.2856 -8.5124 2.6929 2.7086 2.7930 2.8490 2.8861 2.8938 2543 3.8642 3.8672 4.0851 4.0922 4.3827 7.6402 7.6780 8.3316 2544 8.3986 8.4845 9.4227 13.6312 16.6340 20.9660 21.1885 22.3165 2545 22.4482 22.5046 24.7947 26.3398 26.5325 27.9874 28.4234 28.5877 2546 29.6519 31.6448 33.0486 33.2360 36.1641 36.6609 36.7705 37.1926 2547 39.3861 39.3969 43.1340 43.1366 2548 2549 k = 0.0053 0.0092 0.0000 band energies (ev): 2550 2551 -114.1639-114.1637 -68.8297 -68.8264 -68.8171 -68.8171 -68.8165 -68.8165 2552 -9.2896 -8.5142 2.6974 2.7064 2.7902 2.8443 2.8862 2.8906 2553 3.8659 3.8676 4.0847 4.0887 4.3836 7.6667 7.6883 8.3896 2554 8.4085 8.4898 9.3509 13.6005 16.6345 21.0528 21.1822 22.3721 2555 22.4480 22.4805 24.7991 26.4272 26.5247 27.9993 28.3243 28.4699 2556 29.5977 31.5457 33.1205 33.2300 36.0822 36.7050 36.7683 37.1931 2557 39.4411 39.4486 43.0528 43.0528 2558 2559 k = 0.0035 0.0061 0.0000 band energies (ev): 2560 2561 -114.1639-114.1637 -68.8297 -68.8264 -68.8171 -68.8171 -68.8165 -68.8165 2562 -9.2926 -8.5155 2.7007 2.7047 2.7881 2.8409 2.8863 2.8883 2563 3.8671 3.8678 4.0844 4.0862 4.3842 7.6858 7.6956 8.4035 2564 8.4499 8.4936 9.2930 13.5783 16.6349 21.1184 21.1774 22.4132 2565 22.4475 22.4622 24.7966 26.4907 26.5297 28.0336 28.2450 28.3590 2566 29.5604 31.4728 33.1757 33.2258 36.0206 36.7380 36.7667 37.1918 2567 39.4835 39.4873 42.9911 42.9915 2568 2569 k = 0.0018 0.0031 0.0000 band energies (ev): 2570 2571 -114.1639-114.1637 -68.8297 -68.8264 -68.8171 -68.8171 -68.8165 -68.8165 2572 -9.2943 -8.5163 2.7027 2.7037 2.7868 2.8388 2.8864 2.8869 2573 3.8678 3.8680 4.0842 4.0847 4.3846 7.6974 7.6998 8.4063 2574 8.4842 8.4958 9.2545 13.5650 16.6351 21.1594 21.1743 22.4385 2575 22.4470 22.4507 24.7925 26.5289 26.5379 28.0897 28.1932 28.2570 2576 29.5385 31.4281 33.2105 33.2232 35.9821 36.7585 36.7658 37.1901 2577 39.5103 39.5113 42.9533 42.9535 2578 2579 k = 0.0000 0.0000 0.0000 band energies (ev): 2580 2581 -114.1639-114.1637 -68.8297 -68.8264 -68.8171 -68.8171 -68.8165 -68.8165 2582 -9.2949 -8.5166 2.7034 2.7034 2.7864 2.8381 2.8864 2.8864 2583 3.8680 3.8680 4.0842 4.0842 4.3847 7.7013 7.7013 8.4071 2584 8.4966 8.4966 9.2408 13.5605 16.6352 21.1733 21.1733 22.4465 2585 22.4470 22.4470 24.7906 26.5416 26.5416 28.1563 28.1752 28.1752 2586 29.5314 31.4130 33.2224 33.2224 35.9691 36.7655 36.7655 37.1895 2587 39.5195 39.5195 42.9406 42.9406 2588 2589 k = 0.0000 0.0000 0.0036 band energies (ev): 2590 2591 -114.1639-114.1637 -68.8297 -68.8264 -68.8171 -68.8171 -68.8165 -68.8165 2592 -9.2943 -8.5173 2.7035 2.7035 2.7857 2.8361 2.8862 2.8862 2593 3.8683 3.8683 4.0841 4.0841 4.3893 7.7019 7.7019 8.3948 2594 8.4959 8.4959 9.2542 13.5578 16.6375 21.1733 21.1733 22.4313 2595 22.4443 22.4443 24.7968 26.5454 26.5454 28.1539 28.1799 28.1799 2596 29.5467 31.4120 33.2175 33.2175 35.9782 36.7593 36.7593 37.1808 2597 39.5216 39.5216 42.9055 42.9055 2598 2599 k = 0.0000 0.0000 0.0071 band energies (ev): 2600 2601 -114.1639-114.1637 -68.8297 -68.8264 -68.8171 -68.8171 -68.8165 -68.8165 2602 -9.2925 -8.5194 2.7037 2.7037 2.7836 2.8300 2.8854 2.8854 2603 3.8690 3.8690 4.0838 4.0838 4.4028 7.7040 7.7040 8.3601 2604 8.4940 8.4940 9.2924 13.5498 16.6444 21.1732 21.1732 22.3864 2605 22.4362 22.4362 24.8148 26.5567 26.5567 28.1468 28.1937 28.1937 2606 29.5924 31.4091 33.2028 33.2028 36.0055 36.7410 36.7410 37.1549 2607 39.5281 39.5281 42.8085 42.8085 2608 2609 k = 0.0000 0.0000 0.0107 band energies (ev): 2610 2611 -114.1639-114.1637 -68.8297 -68.8264 -68.8171 -68.8171 -68.8165 -68.8165 2612 -9.2894 -8.5228 2.7040 2.7040 2.7802 2.8202 2.8842 2.8842 2613 3.8703 3.8703 4.0833 4.0833 4.4250 7.7074 7.7074 8.3078 2614 8.4907 8.4907 9.3503 13.5364 16.6561 21.1731 21.1731 22.3142 2615 22.4229 22.4229 24.8432 26.5754 26.5754 28.1348 28.2166 28.2166 2616 29.6677 31.4049 33.1787 33.1787 36.0503 36.7104 36.7104 37.1124 2617 39.5387 39.5387 42.6679 42.6679 2618 2619 k = 0.0000 0.0000 0.0142 band energies (ev): 2620 2621 -114.1639-114.1637 -68.8297 -68.8264 -68.8171 -68.8171 -68.8165 -68.8165 2622 -9.2850 -8.5277 2.7045 2.7045 2.7755 2.8070 2.8825 2.8825 2623 3.8721 3.8721 4.0827 4.0827 4.4555 7.7122 7.7122 8.2431 2624 8.4861 8.4861 9.4229 13.5178 16.6723 21.1731 21.1731 22.2175 2625 22.4045 22.4045 24.8802 26.6015 26.6015 28.1178 28.2479 28.2479 2626 29.7712 31.4004 33.1458 33.1458 36.1118 36.6674 36.6674 37.0539 2627 39.5532 39.5532 42.5017 42.5017 2628 2629 k = 0.0000 0.0000 0.0178 band energies (ev): 2630 2631 -114.1639-114.1637 -68.8296 -68.8264 -68.8171 -68.8171 -68.8165 -68.8165 2632 -9.2795 -8.5339 2.7052 2.7052 2.7695 2.7911 2.8803 2.8803 2633 3.8744 3.8744 4.0818 4.0818 4.4936 7.7183 7.7183 8.1702 2634 8.4803 8.4803 9.5058 13.4940 16.6933 21.1732 21.1732 22.1000 2635 22.3813 22.3813 24.9238 26.6348 26.6348 28.0955 28.2873 28.2873 2636 29.9013 31.3965 33.1049 33.1049 36.1888 36.6121 36.6121 36.9807 2637 39.5711 39.5711 42.3233 42.3233 2638 2639 k = 0.0000 0.0000 0.0214 band energies (ev): 2640 2641 -114.1639-114.1637 -68.8296 -68.8265 -68.8171 -68.8171 -68.8165 -68.8165 2642 -9.2728 -8.5414 2.7060 2.7060 2.7623 2.7729 2.8776 2.8776 2643 3.8772 3.8772 4.0807 4.0807 4.5388 7.7257 7.7257 8.0918 2644 8.4732 8.4732 9.5962 13.4649 16.7189 21.1735 21.1735 21.9652 2645 22.3537 22.3537 24.9722 26.6752 26.6752 28.0676 28.3339 28.3339 2646 30.0558 31.3948 33.0568 33.0568 36.2798 36.5443 36.5443 36.8940 2647 39.5921 39.5921 42.1416 42.1416 2648 2649 k = 0.0000 0.0000 0.0249 band energies (ev): 2650 2651 -114.1639-114.1637 -68.8296 -68.8265 -68.8171 -68.8171 -68.8165 -68.8165 2652 -9.2649 -8.5503 2.7069 2.7069 2.7531 2.7539 2.8745 2.8745 2653 3.8804 3.8804 4.0794 4.0794 4.5903 7.7344 7.7344 8.0099 2654 8.4649 8.4649 9.6921 13.4308 16.7494 21.1741 21.1741 21.8164 2655 22.3221 22.3221 25.0242 26.7224 26.7224 28.0339 28.3869 28.3869 2656 30.2327 31.3965 33.0029 33.0029 36.3833 36.4641 36.4641 36.7952 2657 39.6158 39.6158 41.9622 41.9622 2658 2659 k = 0.0000 0.0000 0.0285 band energies (ev): 2660 2661 -114.1639-114.1637 -68.8295 -68.8265 -68.8171 -68.8171 -68.8165 -68.8165 2662 -9.2558 -8.5603 2.7080 2.7080 2.7322 2.7445 2.8710 2.8710 2663 3.8840 3.8840 4.0779 4.0779 4.6475 7.7444 7.7444 7.9256 2664 8.4553 8.4553 9.7921 13.3918 16.7846 21.1752 21.1752 21.6565 2665 22.2868 22.2868 25.0787 26.7764 26.7764 27.9941 28.4452 28.4452 2666 30.4295 31.4030 32.9444 32.9444 36.3717 36.3717 36.4976 36.6861 2667 39.6416 39.6416 41.7890 41.7890 2668 2669 k = 0.0000 0.0000 0.0321 band energies (ev): 2670 2671 -114.1639-114.1637 -68.8295 -68.8266 -68.8171 -68.8171 -68.8166 -68.8166 2672 -9.2456 -8.5717 2.7093 2.7093 2.7108 2.7341 2.8672 2.8672 2673 3.8881 3.8881 4.0761 4.0761 4.7097 7.7556 7.7556 7.8398 2674 8.4446 8.4446 9.8954 13.3478 16.8246 21.1769 21.1769 21.4880 2675 22.2484 22.2484 25.1351 26.8367 26.8367 27.9483 28.5077 28.5077 2676 30.6437 31.4153 32.8828 32.8828 36.2673 36.2673 36.5683 36.6208 2677 39.6690 39.6690 41.6241 41.6241 2678 2679 k = 0.0000 0.0000 0.0356 band energies (ev): 2680 2681 -114.1639-114.1637 -68.8294 -68.8266 -68.8171 -68.8171 -68.8166 -68.8166 2682 -9.2343 -8.5842 2.6893 2.7108 2.7108 2.7229 2.8629 2.8629 2683 3.8926 3.8926 4.0741 4.0741 4.7765 7.7530 7.7679 7.7679 2684 8.4327 8.4327 10.0011 13.2991 16.8695 21.1793 21.1793 21.3131 2685 22.2072 22.2072 25.1931 26.9031 26.9031 27.8963 28.5728 28.5728 2686 30.8730 31.4347 32.8199 32.8199 36.1513 36.1513 36.4437 36.7511 2687 39.6977 39.6977 41.4691 41.4691 2688 2689 k = 0.0000 0.0000 0.0392 band energies (ev): 2690 2691 -114.1639-114.1637 -68.8294 -68.8267 -68.8171 -68.8171 -68.8166 -68.8166 2692 -9.2220 -8.5978 2.6681 2.7109 2.7124 2.7124 2.8584 2.8584 2693 3.8974 3.8974 4.0718 4.0718 4.8472 7.6655 7.7814 7.7814 2694 8.4197 8.4197 10.1089 13.2458 16.9193 21.1337 21.1826 21.1826 2695 22.1638 22.1638 25.2526 26.9753 26.9753 27.8383 28.6392 28.6392 2696 31.1146 31.4618 32.7575 32.7575 36.0241 36.0241 36.3145 36.8864 2697 39.7272 39.7272 41.3248 41.3248 2698 2699 k = 0.0000 0.0000 0.0427 band energies (ev): 2700 2701 -114.1639-114.1637 -68.8293 -68.8268 -68.8170 -68.8170 -68.8166 -68.8166 2702 -9.2086 -8.6125 2.6476 2.6983 2.7143 2.7143 2.8536 2.8536 2703 3.9026 3.9026 4.0693 4.0693 4.9213 7.5775 7.7960 7.7960 2704 8.4057 8.4057 10.2184 13.1880 16.9740 20.9513 21.1870 21.1870 2705 22.1186 22.1186 25.3136 27.0530 27.0530 27.7745 28.7050 28.7050 2706 31.3659 31.4973 32.6976 32.6976 35.8866 35.8866 36.1828 37.0246 2707 39.7571 39.7571 41.1916 41.1916 2708 2709 k = 0.0000 0.0000 0.0463 band energies (ev): 2710 2711 -114.1639-114.1637 -68.8292 -68.8268 -68.8170 -68.8170 -68.8166 -68.8166 2712 -9.1942 -8.6282 2.6281 2.6852 2.7164 2.7164 2.8485 2.8485 2713 3.9081 3.9081 4.0665 4.0665 4.9985 7.4892 7.8116 7.8116 2714 8.3906 8.3906 10.3291 13.1259 17.0339 20.7673 21.1925 21.1925 2715 22.0719 22.0719 25.3761 27.1358 27.1358 27.7053 28.7684 28.7684 2716 31.5415 31.6238 32.6425 32.6425 35.7396 35.7396 36.0514 37.1632 2717 39.7871 39.7871 41.0694 41.0694 2718 2719 k = 0.0000 0.0000 0.0499 band energies (ev): 2720 2721 -114.1639-114.1637 -68.8292 -68.8269 -68.8170 -68.8170 -68.8166 -68.8166 2722 -9.1789 -8.6449 2.6098 2.6717 2.7186 2.7186 2.8431 2.8431 2723 3.9139 3.9139 4.0635 4.0635 5.0783 7.4007 7.8283 7.8283 2724 8.3745 8.3745 10.4409 13.0595 17.0988 20.5827 21.1993 21.1993 2725 22.0243 22.0243 25.4403 27.2234 27.2234 27.6310 28.8272 28.8272 2726 31.5946 31.8847 32.5945 32.5945 35.5840 35.5840 35.9233 37.2995 2727 39.8170 39.8170 40.9579 40.9579 2728 2729 k = 0.0000 0.0000 0.0534 band energies (ev): 2730 2731 -114.1639-114.1637 -68.8291 -68.8270 -68.8170 -68.8170 -68.8166 -68.8166 2732 -9.1626 -8.6625 2.5929 2.6580 2.7211 2.7211 2.8376 2.8376 2733 3.9199 3.9199 4.0601 4.0601 5.1604 7.3120 7.8458 7.8458 2734 8.3575 8.3575 10.5535 12.9891 17.1688 20.3985 21.2077 21.2077 2735 21.9762 21.9762 25.5062 27.3153 27.3153 27.5523 28.8795 28.8795 2736 31.6565 32.1444 32.5559 32.5559 35.4208 35.4208 35.8024 37.4304 2737 39.8466 39.8466 40.8567 40.8567 2738 2739 k = 0.0000 0.0000 0.0570 band energies (ev): 2740 2741 -114.1639-114.1638 -68.8290 -68.8270 -68.8170 -68.8170 -68.8166 -68.8166 2742 -9.1455 -8.6809 2.5775 2.6442 2.7238 2.7238 2.8320 2.8320 2743 3.9261 3.9261 4.0565 4.0565 5.2444 7.2231 7.8642 7.8642 2744 8.3396 8.3396 10.6666 12.9149 17.2441 20.2155 21.2176 21.2176 2745 21.9277 21.9277 25.5740 27.4111 27.4111 27.4695 28.9230 28.9230 2746 31.7271 32.3974 32.5290 32.5290 35.2513 35.2513 35.6939 37.5523 2747 39.8758 39.8758 40.7651 40.7651 2748 2749 k = 0.0000 0.0000 0.0605 band energies (ev): 2750 2751 -114.1639-114.1638 -68.8290 -68.8271 -68.8170 -68.8170 -68.8166 -68.8166 2752 -9.1276 -8.7001 2.5639 2.6305 2.7268 2.7268 2.8262 2.8262 2753 3.9325 3.9325 4.0526 4.0526 5.3301 7.1340 7.8834 7.8834 2754 8.3209 8.3209 10.7801 12.8369 17.3246 20.0344 21.2292 21.2292 2755 21.8794 21.8794 25.6438 27.3835 27.5103 27.5103 28.9557 28.9557 2756 31.8061 32.5163 32.5163 32.6363 35.0766 35.0766 35.6047 37.6606 2757 39.9045 39.9045 40.6825 40.6825 2758 2759 k = 0.0000 0.0000 0.0641 band energies (ev): 2760 2761 -114.1639-114.1638 -68.8289 -68.8272 -68.8170 -68.8170 -68.8167 -68.8167 2762 -9.1090 -8.7200 2.5520 2.6169 2.7299 2.7299 2.8203 2.8203 2763 3.9391 3.9391 4.0485 4.0485 5.4172 7.0447 7.9033 7.9033 2764 8.3015 8.3015 10.8938 12.7555 17.4105 19.8559 21.2427 21.2427 2765 21.8315 21.8315 25.7156 27.2946 27.6125 27.6125 28.9759 28.9759 2766 31.8928 32.5194 32.5194 32.8517 34.8979 34.8979 35.5438 37.7500 2767 39.9327 39.9327 40.6080 40.6080 2768 2769 k = 0.0000 0.0000 0.0677 band energies (ev): 2770 2771 -114.1638-114.1638 -68.8288 -68.8273 -68.8170 -68.8170 -68.8167 -68.8167 2772 -9.0896 -8.7405 2.5419 2.6037 2.7334 2.7334 2.8144 2.8144 2773 3.9458 3.9458 4.0440 4.0440 5.5054 6.9552 7.9239 7.9239 2774 8.2813 8.2813 11.0074 12.6706 17.5017 19.6804 21.2580 21.2580 2775 21.7843 21.7843 25.7895 27.2036 27.7171 27.7171 28.9822 28.9822 2776 31.9869 32.5400 32.5400 33.0321 34.7165 34.7165 35.5221 37.8144 2777 39.9604 39.9604 40.5410 40.5410 2778 2779 k = 0.0000 0.0000 0.0712 band energies (ev): 2780 2781 -114.1638-114.1638 -68.8287 -68.8274 -68.8169 -68.8169 -68.8167 -68.8167 2782 -9.0696 -8.7615 2.5337 2.5910 2.7370 2.7370 2.8085 2.8085 2783 3.9526 3.9526 4.0393 4.0393 5.5945 6.8655 7.9451 7.9451 2784 8.2606 8.2606 11.1208 12.5826 17.5983 19.5083 21.2754 21.2754 2785 21.7381 21.7381 25.8657 27.1110 27.8234 27.8234 28.9739 28.9739 2786 32.0877 32.5789 32.5789 33.1658 34.5336 34.5336 35.5505 37.8469 2787 39.9877 39.9877 40.4806 40.4806 2788 2789 k = 0.0000 0.0000 0.0748 band energies (ev): 2790 2791 -114.1638-114.1638 -68.8286 -68.8275 -68.8169 -68.8169 -68.8167 -68.8167 2792 -9.0490 -8.7830 2.5274 2.5789 2.7409 2.7409 2.8026 2.8026 2793 3.9594 3.9594 4.0343 4.0343 5.6844 6.7755 7.9668 7.9668 2794 8.2392 8.2392 11.2339 12.4917 17.7003 19.3401 21.2949 21.2949 2795 21.6931 21.6931 25.9440 27.0173 27.9309 27.9309 28.9508 28.9508 2796 32.1944 32.6363 32.6363 33.2453 34.3506 34.3506 35.6357 37.8409 2797 40.0149 40.0149 40.4260 40.4260 2798 2799 k = 0.0000 0.0000 0.0783 band energies (ev): 2800 2801 -114.1638-114.1638 -68.8285 -68.8276 -68.8169 -68.8169 -68.8167 -68.8167 2802 -9.0280 -8.8049 2.5229 2.5676 2.7450 2.7450 2.7967 2.7967 2803 3.9662 3.9662 4.0291 4.0291 5.7749 6.6853 7.9890 7.9890 2804 8.2174 8.2174 11.3463 12.3979 17.8078 19.1761 21.3164 21.3164 2805 21.6494 21.6494 26.0244 26.9230 28.0388 28.0388 28.9134 28.9134 2806 32.3062 32.7120 32.7120 33.2705 34.1686 34.1686 35.7766 37.7909 2807 40.0419 40.0419 40.3766 40.3766 2808 2809 k = 0.0000 0.0000 0.0819 band energies (ev): 2810 2811 -114.1638-114.1638 -68.8284 -68.8277 -68.8169 -68.8169 -68.8167 -68.8167 2812 -9.0065 -8.8271 2.5202 2.5571 2.7493 2.7493 2.7909 2.7909 2813 3.9730 3.9730 4.0236 4.0236 5.8657 6.5949 8.0115 8.0115 2814 8.1952 8.1952 11.4580 12.3015 17.9207 19.0165 21.3402 21.3402 2815 21.6073 21.6073 26.1070 26.8285 28.1464 28.1464 28.8625 28.8625 2816 32.4220 32.8049 32.8049 33.2487 33.9889 33.9889 35.9641 37.6945 2817 40.0692 40.0692 40.3318 40.3318 2818 2819 k = 0.0000 0.0000 0.0855 band energies (ev): 2820 2821 -114.1638-114.1638 -68.8283 -68.8277 -68.8169 -68.8169 -68.8168 -68.8168 2822 -8.9846 -8.8495 2.5194 2.5477 2.7538 2.7538 2.7851 2.7851 2823 3.9798 3.9798 4.0179 4.0179 5.9569 6.5042 8.0343 8.0343 2824 8.1726 8.1726 11.5687 12.2026 18.0391 18.8616 21.3661 21.3661 2825 21.5668 21.5668 26.1916 26.7343 28.2527 28.2527 28.7996 28.7996 2826 32.5408 32.9138 32.9138 33.1911 33.8128 33.8128 36.1853 37.5533 2827 40.0968 40.0968 40.2908 40.2908 2828 2829 k = 0.0000 0.0000 0.0890 band energies (ev): 2830 2831 -114.1638-114.1638 -68.8282 -68.8278 -68.8169 -68.8169 -68.8168 -68.8168 2832 -8.9624 -8.8721 2.5202 2.5395 2.7586 2.7586 2.7795 2.7795 2833 3.9864 3.9864 4.0119 4.0119 6.0482 6.4133 8.0573 8.0573 2834 8.1498 8.1498 11.6783 12.1015 18.1629 18.7116 21.3943 21.3943 2835 21.5283 21.5283 26.2782 26.6407 28.3567 28.3567 28.7260 28.7260 2836 32.6609 33.0371 33.0371 33.1080 33.6418 33.6418 36.4269 37.3723 2837 40.1252 40.1252 40.2531 40.2531 2838 2839 k = 0.0000 0.0000 0.0926 band energies (ev): 2840 2841 -114.1638-114.1638 -68.8281 -68.8279 -68.8168 -68.8168 -68.8168 -68.8168 2842 -8.9400 -8.8947 2.5228 2.5325 2.7636 2.7636 2.7740 2.7740 2843 3.9930 3.9930 4.0058 4.0058 6.1396 6.3222 8.0804 8.0804 2844 8.1267 8.1267 11.7865 11.9983 18.2922 18.5666 21.4246 21.4246 2845 21.4917 21.4917 26.3666 26.5480 28.4573 28.4573 28.6434 28.6434 2846 32.7806 33.0080 33.1732 33.1732 33.4772 33.4772 36.6770 37.1596 2847 40.1546 40.1546 40.2181 40.2181 2848 2849 k = 0.0000 0.0000 0.0962 band energies (ev): 2850 2851 -114.1638-114.1638 -68.8280 -68.8280 -68.8168 -68.8168 -68.8168 -68.8168 2852 -8.9174 -8.9174 2.5269 2.5269 2.7687 2.7687 2.7687 2.7687 2853 3.9995 3.9995 3.9995 3.9995 6.2309 6.2309 8.1036 8.1036 2854 8.1036 8.1036 11.8933 11.8933 18.4268 18.4268 21.4571 21.4571 2855 21.4571 21.4571 26.4566 26.4566 28.5534 28.5534 28.5534 28.5534 2856 32.8974 32.8974 33.3204 33.3204 33.3204 33.3204 36.9246 36.9246 2857 40.1855 40.1855 40.1855 40.1855 2858 2859 k = 0.0031 0.0018 0.0962 band energies (ev): 2860 2861 -114.1638-114.1638 -68.8280 -68.8280 -68.8168 -68.8168 -68.8168 -68.8168 2862 -8.9169 -8.9169 2.5264 2.5264 2.7691 2.7691 2.7691 2.7691 2863 3.9995 3.9995 3.9995 3.9995 6.2309 6.2309 8.1005 8.1005 2864 8.1025 8.1025 11.8966 11.8966 18.4265 18.4265 21.4489 21.4489 2865 21.4581 21.4581 26.4630 26.4630 28.5530 28.5530 28.5536 28.5536 2866 32.8582 32.8582 33.3241 33.3241 33.3647 33.3647 36.9321 36.9321 2867 40.1804 40.1804 40.1860 40.1860 2868 2869 k = 0.0062 0.0036 0.0962 band energies (ev): 2870 2871 -114.1638-114.1638 -68.8280 -68.8280 -68.8168 -68.8168 -68.8168 -68.8168 2872 -8.9156 -8.9156 2.5250 2.5250 2.7703 2.7703 2.7704 2.7704 2873 3.9994 3.9994 3.9995 3.9995 6.2310 6.2310 8.0912 8.0912 2874 8.0993 8.0993 11.9067 11.9067 18.4259 18.4259 21.4248 21.4248 2875 21.4611 21.4611 26.4817 26.4817 28.5525 28.5525 28.5541 28.5541 2876 32.7698 32.7698 33.3350 33.3350 33.4685 33.4685 36.9545 36.9545 2877 40.1654 40.1654 40.1875 40.1875 2878 2879 k = 0.0092 0.0053 0.0962 band energies (ev): 2880 2881 -114.1638-114.1638 -68.8280 -68.8280 -68.8168 -68.8168 -68.8168 -68.8168 2882 -8.9133 -8.9133 2.5227 2.5227 2.7723 2.7723 2.7725 2.7725 2883 3.9993 3.9993 3.9995 3.9995 6.2310 6.2310 8.0759 8.0759 2884 8.0939 8.0939 11.9234 11.9234 18.4248 18.4248 21.3855 21.3855 2885 21.4662 21.4662 26.5105 26.5105 28.5535 28.5535 28.5552 28.5552 2886 32.6650 32.6650 33.3530 33.3530 33.5987 33.5987 36.9914 36.9914 2887 40.1411 40.1411 40.1902 40.1902 2888 2889 k = 0.0123 0.0071 0.0962 band energies (ev): 2890 2891 -114.1638-114.1638 -68.8280 -68.8280 -68.8168 -68.8168 -68.8168 -68.8168 2892 -8.9102 -8.9102 2.5195 2.5195 2.7751 2.7751 2.7754 2.7754 2893 3.9991 3.9991 3.9996 3.9996 6.2310 6.2310 8.0549 8.0549 2894 8.0864 8.0864 11.9464 11.9464 18.4230 18.4230 21.3325 21.3325 2895 21.4732 21.4732 26.5460 26.5460 28.5569 28.5569 28.5587 28.5587 2896 32.5571 32.5571 33.3781 33.3781 33.7415 33.7415 37.0424 37.0424 2897 40.1084 40.1084 40.1939 40.1939 2898 2899 k = 0.0154 0.0089 0.0962 band energies (ev): 2900 2901 -114.1638-114.1638 -68.8280 -68.8280 -68.8169 -68.8169 -68.8168 -68.8168 2902 -8.9062 -8.9062 2.5155 2.5155 2.7787 2.7787 2.7791 2.7791 2903 3.9989 3.9989 3.9997 3.9997 6.2308 6.2308 8.0283 8.0283 2904 8.0768 8.0768 11.9755 11.9755 18.4205 18.4205 21.2673 21.2673 2905 21.4822 21.4822 26.5836 26.5836 28.5593 28.5593 28.5716 28.5716 2906 32.4509 32.4509 33.4100 33.4100 33.8918 33.8918 37.1066 37.1066 2907 40.0686 40.0686 40.1986 40.1986 2908 2909 k = 0.0185 0.0107 0.0962 band energies (ev): 2910 2911 -114.1638-114.1638 -68.8280 -68.8280 -68.8169 -68.8169 -68.8168 -68.8168 2912 -8.9013 -8.9013 2.5108 2.5108 2.7831 2.7831 2.7835 2.7835 2913 3.9987 3.9987 3.9998 3.9998 6.2304 6.2304 7.9968 7.9968 2914 8.0651 8.0651 12.0103 12.0103 18.4171 18.4171 21.1919 21.1919 2915 21.4929 21.4929 26.6180 26.6180 28.5626 28.5626 28.5966 28.5966 2916 32.3485 32.3485 33.4485 33.4485 34.0469 34.0469 37.1831 37.1831 2917 40.0230 40.0230 40.2045 40.2045 2918 2919 k = 0.0215 0.0124 0.0962 band energies (ev): 2920 2921 -114.1638-114.1638 -68.8280 -68.8280 -68.8169 -68.8169 -68.8168 -68.8168 2922 -8.8956 -8.8956 2.5053 2.5053 2.7883 2.7883 2.7886 2.7886 2923 3.9984 3.9984 3.9999 3.9999 6.2297 6.2297 7.9606 7.9606 2924 8.0515 8.0515 12.0504 12.0504 18.4125 18.4125 21.1084 21.1084 2925 21.5054 21.5054 26.6437 26.6437 28.5671 28.5671 28.6383 28.6383 2926 32.2508 32.2508 33.4932 33.4932 34.2053 34.2053 37.2703 37.2703 2927 39.9733 39.9733 40.2116 40.2116 2928 2929 k = 0.0246 0.0142 0.0962 band energies (ev): 2930 2931 -114.1638-114.1638 -68.8280 -68.8280 -68.8169 -68.8169 -68.8169 -68.8169 2932 -8.8890 -8.8890 2.4992 2.4992 2.7941 2.7941 2.7943 2.7943 2933 3.9981 3.9981 4.0000 4.0000 6.2285 6.2285 7.9204 7.9204 2934 8.0358 8.0358 12.0954 12.0954 18.4065 18.4065 21.0187 21.0187 2935 21.5195 21.5195 26.6559 26.6559 28.5731 28.5731 28.7005 28.7005 2936 32.1584 32.1584 33.5439 33.5439 34.3660 34.3660 37.3668 37.3668 2937 39.9213 39.9213 40.2198 40.2198 2938 2939 k = 0.0277 0.0160 0.0962 band energies (ev): 2940 2941 -114.1638-114.1638 -68.8280 -68.8280 -68.8170 -68.8170 -68.8169 -68.8169 2942 -8.8817 -8.8817 2.4925 2.4925 2.8007 2.8007 2.8008 2.8008 2943 3.9978 3.9978 4.0002 4.0002 6.2267 6.2267 7.8766 7.8766 2944 8.0183 8.0183 12.1448 12.1448 18.3987 18.3987 20.9248 20.9248 2945 21.5350 21.5350 26.6510 26.6510 28.5807 28.5807 28.7858 28.7858 2946 32.0715 32.0715 33.6001 33.6001 34.5279 34.5279 37.4704 37.4704 2947 39.8693 39.8693 40.2293 40.2293 2948 2949 k = 0.0308 0.0178 0.0962 band energies (ev): 2950 2951 -114.1638-114.1638 -68.8280 -68.8280 -68.8170 -68.8170 -68.8169 -68.8169 2952 -8.8735 -8.8735 2.4853 2.4853 2.8077 2.8077 2.8081 2.8081 2953 3.9975 3.9975 4.0005 4.0005 6.2240 6.2240 7.8299 7.8299 2954 7.9989 7.9989 12.1982 12.1982 18.3887 18.3887 20.8285 20.8285 2955 21.5520 21.5520 26.6275 26.6275 28.5904 28.5904 28.8949 28.8949 2956 31.9906 31.9906 33.6614 33.6614 34.6905 34.6905 37.5786 37.5786 2957 39.8196 39.8196 40.2400 40.2400 2958 2959 k = 0.0338 0.0195 0.0962 band energies (ev): 2960 2961 -114.1638-114.1638 -68.8280 -68.8280 -68.8171 -68.8171 -68.8169 -68.8169 2962 -8.8647 -8.8647 2.4777 2.4777 2.8153 2.8153 2.8161 2.8161 2963 3.9973 3.9973 4.0008 4.0008 6.2203 6.2203 7.7808 7.7808 2964 7.9778 7.9778 12.2551 12.2551 18.3762 18.3762 20.7317 20.7317 2965 21.5701 21.5701 26.5859 26.5859 28.6023 28.6023 29.0265 29.0265 2966 31.9159 31.9159 33.7274 33.7274 34.8529 34.8529 37.6883 37.6883 2967 39.7752 39.7752 40.2521 40.2521 2968 2969 k = 0.0369 0.0213 0.0962 band energies (ev): 2970 2971 -114.1638-114.1638 -68.8280 -68.8280 -68.8171 -68.8171 -68.8169 -68.8169 2972 -8.8550 -8.8550 2.4697 2.4697 2.8234 2.8234 2.8247 2.8247 2973 3.9970 3.9970 4.0012 4.0012 6.2153 6.2153 7.7299 7.7299 2974 7.9550 7.9550 12.3151 12.3151 18.3608 18.3608 20.6358 20.6358 2975 21.5893 21.5893 26.5277 26.5277 28.6169 28.6169 29.1779 29.1779 2976 31.8480 31.8480 33.7976 33.7976 35.0144 35.0144 37.7958 37.7958 2977 39.7394 39.7394 40.2655 40.2655 2978 2979 k = 0.0400 0.0231 0.0962 band energies (ev): 2980 2981 -114.1638-114.1638 -68.8280 -68.8280 -68.8171 -68.8171 -68.8169 -68.8169 2982 -8.8448 -8.8448 2.4615 2.4615 2.8320 2.8320 2.8340 2.8340 2983 3.9968 3.9968 4.0017 4.0017 6.2086 6.2086 7.6780 7.6780 2984 7.9306 7.9306 12.3777 12.3777 18.3418 18.3418 20.5424 20.5424 2985 21.6094 21.6094 26.4555 26.4555 28.6343 28.6343 29.3454 29.3454 2986 31.7877 31.7877 33.8715 33.8715 35.1744 35.1744 37.8970 37.8970 2987 39.7162 39.7162 40.2804 40.2804 2988 2989 k = 0.0431 0.0249 0.0962 band energies (ev): 2990 2991 -114.1638-114.1638 -68.8280 -68.8280 -68.8172 -68.8172 -68.8169 -68.8169 2992 -8.8338 -8.8338 2.4530 2.4530 2.8411 2.8411 2.8439 2.8439 2993 3.9966 3.9966 4.0022 4.0022 6.2000 6.2000 7.6256 7.6256 2994 7.9047 7.9047 12.4425 12.4425 18.3190 18.3190 20.4528 20.4528 2995 21.6302 21.6302 26.3719 26.3719 28.6549 28.6549 29.5248 29.5248 2996 31.7364 31.7364 33.9486 33.9486 35.3319 35.3319 37.9875 37.9875 2997 39.7095 39.7095 40.2968 40.2968 2998 2999 k = 0.0462 0.0266 0.0962 band energies (ev): 3000 3001 -114.1638-114.1638 -68.8280 -68.8280 -68.8172 -68.8172 -68.8169 -68.8169 3002 -8.8222 -8.8222 2.4443 2.4443 2.8507 2.8507 2.8544 2.8544 3003 3.9965 3.9965 4.0029 4.0029 6.1891 6.1891 7.5734 7.5734 3004 7.8773 7.8773 12.5090 12.5090 18.2920 18.2920 20.3680 20.3680 3005 21.6515 21.6515 26.2795 26.2795 28.6790 28.6790 29.7110 29.7110 3006 31.6960 31.6960 34.0282 34.0282 35.4861 35.4861 38.0636 38.0636 3007 39.7232 39.7232 40.3147 40.3147 3008 3009 k = 0.0492 0.0284 0.0962 band energies (ev): 3010 3011 -114.1638-114.1638 -68.8280 -68.8280 -68.8173 -68.8173 -68.8169 -68.8169 3012 -8.8101 -8.8101 2.4355 2.4355 2.8607 2.8607 2.8653 2.8653 3013 3.9965 3.9965 4.0037 4.0037 6.1756 6.1756 7.5221 7.5221 3014 7.8487 7.8487 12.5770 12.5770 18.2603 18.2603 20.2890 20.2890 3015 21.6733 21.6733 26.1805 26.1805 28.7069 28.7069 29.8983 29.8983 3016 31.6696 31.6696 34.1099 34.1099 35.6357 35.6357 38.1230 38.1230 3017 39.7596 39.7596 40.3343 40.3343 3018 3019 k = 0.0523 0.0302 0.0962 band energies (ev): 3020 3021 -114.1638-114.1638 -68.8280 -68.8280 -68.8174 -68.8174 -68.8170 -68.8170 3022 -8.7974 -8.7974 2.4267 2.4267 2.8712 2.8712 2.8768 2.8768 3023 3.9965 3.9965 4.0046 4.0046 6.1590 6.1590 7.4723 7.4723 3024 7.8188 7.8188 12.6461 12.6461 18.2237 18.2237 20.2164 20.2164 3025 21.6953 21.6953 26.0770 26.0770 28.7388 28.7388 30.0796 30.0796 3026 31.6620 31.6620 34.1930 34.1930 35.7794 35.7794 38.1657 38.1657 3027 39.8190 39.8190 40.3555 40.3555 3028 3029 k = 0.0554 0.0320 0.0962 band energies (ev): 3030 3031 -114.1638-114.1638 -68.8280 -68.8280 -68.8174 -68.8174 -68.8170 -68.8170 3032 -8.7843 -8.7843 2.4179 2.4179 2.8821 2.8821 2.8887 2.8887 3033 3.9967 3.9967 4.0056 4.0056 6.1391 6.1391 7.4246 7.4246 3034 7.7879 7.7879 12.7158 12.7158 18.1823 18.1823 20.1507 20.1507 3035 21.7173 21.7173 25.9707 25.9707 28.7748 28.7748 30.2462 30.2462 3036 31.6796 31.6796 34.2769 34.2769 35.9156 35.9156 38.1947 38.1947 3037 39.8992 39.8992 40.3785 40.3785 3038 3039 k = 0.0585 0.0338 0.0962 band energies (ev): 3040 3041 -114.1638-114.1638 -68.8280 -68.8280 -68.8175 -68.8175 -68.8170 -68.8170 3042 -8.7707 -8.7707 2.4092 2.4092 2.8934 2.8934 2.9010 2.9010 3043 3.9970 3.9970 4.0068 4.0068 6.1153 6.1153 7.3796 7.3796 3044 7.7559 7.7559 12.7860 12.7860 18.1361 18.1361 20.0921 20.0921 3045 21.7392 21.7392 25.8631 25.8631 28.8153 28.8153 30.3884 30.3884 3046 31.7300 31.7300 34.3610 34.3610 36.0424 36.0424 38.2148 38.2148 3047 39.9967 39.9967 40.4032 40.4032 3048 3049 k = 0.0615 0.0355 0.0962 band energies (ev): 3050 3051 -114.1638-114.1638 -68.8280 -68.8280 -68.8175 -68.8175 -68.8170 -68.8170 3052 -8.7568 -8.7568 2.4006 2.4006 2.9051 2.9051 2.9137 2.9137 3053 3.9974 3.9974 4.0081 4.0081 6.0875 6.0875 7.3378 7.3378 3054 7.7231 7.7231 12.8562 12.8562 18.0853 18.0853 20.0406 20.0406 3055 21.7609 21.7609 25.7555 25.7555 28.8604 28.8604 30.4981 30.4981 3056 31.8196 31.8196 34.4445 34.4445 36.1577 36.1577 38.2320 38.2320 3057 40.1070 40.1070 40.4296 40.4296 3058 3059 k = 0.0646 0.0373 0.0962 band energies (ev): 3060 3061 -114.1638-114.1638 -68.8280 -68.8280 -68.8176 -68.8176 -68.8170 -68.8170 3062 -8.7425 -8.7425 2.3922 2.3922 2.9173 2.9173 2.9266 2.9266 3063 3.9980 3.9980 4.0096 4.0096 6.0555 6.0555 7.2996 7.2996 3064 7.6895 7.6895 12.9262 12.9262 18.0303 18.0303 19.9958 19.9958 3065 21.7822 21.7822 25.6491 25.6491 28.9102 28.9102 30.5723 30.5723 3066 31.9490 31.9490 34.5269 34.5269 36.2595 36.2595 38.2525 38.2525 3067 40.2262 40.2262 40.4577 40.4577 3068 3069 k = 0.0677 0.0391 0.0962 band energies (ev): 3070 3071 -114.1638-114.1638 -68.8280 -68.8280 -68.8177 -68.8177 -68.8170 -68.8170 3072 -8.7279 -8.7279 2.3840 2.3840 2.9298 2.9298 2.9398 2.9398 3073 3.9988 3.9988 4.0113 4.0113 6.0191 6.0191 7.2653 7.2653 3074 7.6552 7.6552 12.9957 12.9957 17.9718 17.9718 19.9574 19.9574 3075 21.8030 21.8030 25.5447 25.5447 28.9648 28.9648 30.6148 30.6148 3076 32.1128 32.1128 34.6075 34.6075 36.3465 36.3465 38.2815 38.2815 3077 40.3509 40.3509 40.4875 40.4875 3078 3079 k = 0.0708 0.0409 0.0962 band energies (ev): 3080 3081 -114.1638-114.1638 -68.8280 -68.8280 -68.8177 -68.8177 -68.8171 -68.8171 3082 -8.7131 -8.7131 2.3761 2.3761 2.9426 2.9426 2.9532 2.9532 3083 3.9998 3.9998 4.0131 4.0131 5.9784 5.9784 7.2350 7.2350 3084 7.6205 7.6205 13.0645 13.0645 17.9103 17.9103 19.9247 19.9247 3085 21.8232 21.8232 25.4434 25.4434 29.0243 29.0243 30.6327 30.6327 3086 32.3014 32.3014 34.6855 34.6855 36.4180 36.4180 38.3230 38.3230 3087 40.4789 40.4789 40.5188 40.5188 3088 3089 k = 0.0738 0.0426 0.0962 band energies (ev): 3090 3091 -114.1638-114.1638 -68.8280 -68.8280 -68.8178 -68.8178 -68.8171 -68.8171 3092 -8.6981 -8.6981 2.3685 2.3685 2.9558 2.9558 2.9668 2.9668 3093 4.0009 4.0009 4.0152 4.0152 5.9335 5.9335 7.2087 7.2087 3094 7.5853 7.5853 13.1323 13.1323 17.8466 17.8466 19.8970 19.8970 3095 21.8426 21.8426 25.3457 25.3457 29.0887 29.0887 30.6334 30.6334 3096 32.5051 32.5051 34.7602 34.7602 36.4753 36.4753 38.3791 38.3791 3097 40.5515 40.5515 40.6087 40.6087 3098 3099 k = 0.0769 0.0444 0.0962 band energies (ev): 3100 3101 -114.1638-114.1638 -68.8280 -68.8280 -68.8179 -68.8179 -68.8171 -68.8171 3102 -8.6830 -8.6830 2.3613 2.3613 2.9693 2.9693 2.9804 2.9804 3103 4.0023 4.0023 4.0175 4.0175 5.8847 5.8847 7.1863 7.1863 3104 7.5499 7.5499 13.1990 13.1990 17.7813 17.7813 19.8736 19.8736 3105 21.8613 21.8613 25.2523 25.2523 29.1580 29.1580 30.6226 30.6226 3106 32.7153 32.7153 34.8310 34.8310 36.5210 36.5210 38.4502 38.4502 3107 40.5853 40.5853 40.7396 40.7396 3108 3109 k = 0.0800 0.0462 0.0962 band energies (ev): 3110 3111 -114.1638-114.1638 -68.8280 -68.8280 -68.8179 -68.8179 -68.8171 -68.8171 3112 -8.6679 -8.6679 2.3545 2.3545 2.9831 2.9831 2.9940 2.9940 3113 4.0039 4.0039 4.0200 4.0200 5.8324 5.8324 7.1677 7.1677 3114 7.5144 7.5144 13.2642 13.2642 17.7151 17.7151 19.8537 19.8537 3115 21.8790 21.8790 25.1639 25.1639 29.2321 29.2321 30.6042 30.6042 3116 32.9249 32.9249 34.8971 34.8971 36.5596 36.5596 38.5350 38.5350 3117 40.6198 40.6198 40.8718 40.8718 3118 3119 k = 0.0831 0.0480 0.0962 band energies (ev): 3120 3121 -114.1638-114.1638 -68.8280 -68.8280 -68.8180 -68.8180 -68.8171 -68.8171 3122 -8.6528 -8.6528 2.3481 2.3481 2.9973 2.9973 3.0076 3.0076 3123 4.0057 4.0057 4.0227 4.0227 5.7769 5.7769 7.1525 7.1525 3124 7.4788 7.4788 13.3279 13.3279 17.6488 17.6488 19.8367 19.8367 3125 21.8959 21.8959 25.0808 25.0808 29.3110 29.3110 30.5809 30.5809 3126 33.1277 33.1277 34.9580 34.9580 36.5967 36.5967 38.6313 38.6313 3127 40.6548 40.6548 41.0057 41.0057 3128 3129 k = 0.0862 0.0497 0.0962 band energies (ev): 3130 3131 -114.1637-114.1637 -68.8280 -68.8280 -68.8180 -68.8180 -68.8172 -68.8172 3132 -8.6377 -8.6377 2.3422 2.3422 3.0117 3.0117 3.0212 3.0212 3133 4.0078 4.0078 4.0257 4.0257 5.7187 5.7187 7.1404 7.1404 3134 7.4434 7.4434 13.3899 13.3899 17.5829 17.5829 19.8218 19.8218 3135 21.9117 21.9117 25.0034 25.0034 29.3944 29.3944 30.5544 30.5544 3136 33.3178 33.3178 35.0129 35.0129 36.6384 36.6384 38.7365 38.7365 3137 40.6896 40.6896 41.1421 41.1421 3138 3139 k = 0.0892 0.0515 0.0962 band energies (ev): 3140 3141 -114.1637-114.1637 -68.8280 -68.8280 -68.8181 -68.8181 -68.8172 -68.8172 3142 -8.6228 -8.6228 2.3367 2.3367 3.0263 3.0263 3.0345 3.0345 3143 4.0101 4.0101 4.0291 4.0291 5.6584 5.6584 7.1311 7.1311 3144 7.4082 7.4082 13.4499 13.4499 17.5179 17.5179 19.8085 19.8085 3145 21.9266 21.9266 24.9320 24.9320 29.4823 29.4823 30.5260 30.5260 3146 33.4901 33.4901 35.0613 35.0613 36.6909 36.6909 38.8478 38.8478 3147 40.7236 40.7236 41.2819 41.2819 3148 3149 k = 0.0923 0.0533 0.0962 band energies (ev): 3150 3151 -114.1637-114.1637 -68.8280 -68.8280 -68.8182 -68.8182 -68.8172 -68.8172 3152 -8.6081 -8.6081 2.3317 2.3317 3.0412 3.0412 3.0477 3.0477 3153 4.0126 4.0126 4.0327 4.0327 5.5963 5.5963 7.1243 7.1243 3154 7.3735 7.3735 13.5079 13.5079 17.4544 17.4544 19.7963 19.7963 3155 21.9404 21.9404 24.8669 24.8669 29.5742 29.5742 30.4964 30.4964 3156 33.6399 33.6399 35.1027 35.1027 36.7596 36.7596 38.9631 38.9631 3157 40.7560 40.7560 41.4263 41.4263 3158 3159 k = 0.0954 0.0551 0.0962 band energies (ev): 3160 3161 -114.1637-114.1637 -68.8280 -68.8280 -68.8182 -68.8182 -68.8172 -68.8172 3162 -8.5936 -8.5936 2.3272 2.3272 3.0562 3.0562 3.0606 3.0606 3163 4.0153 4.0153 4.0366 4.0366 5.5331 5.5331 7.1195 7.1195 3164 7.3392 7.3392 13.5637 13.5637 17.3927 17.3927 19.7846 19.7846 3165 21.9532 21.9532 24.8081 24.8081 29.6701 29.6701 30.4662 30.4662 3166 33.7638 33.7638 35.1366 35.1366 36.8486 36.8486 39.0804 39.0804 3167 40.7862 40.7862 41.5759 41.5759 3168 3169 k = 0.0985 0.0568 0.0962 band energies (ev): 3170 3171 -114.1637-114.1637 -68.8280 -68.8280 -68.8183 -68.8183 -68.8172 -68.8172 3172 -8.5795 -8.5795 2.3231 2.3231 3.0714 3.0714 3.0731 3.0731 3173 4.0182 4.0182 4.0409 4.0409 5.4691 5.4691 7.1164 7.1164 3174 7.3056 7.3056 13.6171 13.6171 17.3332 17.3332 19.7732 19.7732 3175 21.9650 21.9650 24.7557 24.7557 29.7694 29.7694 30.4358 30.4358 3176 33.8602 33.8602 35.1626 35.1626 36.9598 36.9598 39.1987 39.1987 3177 40.8133 40.8133 41.7316 41.7316 3178 3179 k = 0.1015 0.0586 0.0962 band energies (ev): 3180 3181 -114.1637-114.1637 -68.8280 -68.8280 -68.8184 -68.8184 -68.8172 -68.8172 3182 -8.5657 -8.5657 2.3196 2.3196 3.0853 3.0853 3.0867 3.0867 3183 4.0213 4.0213 4.0456 4.0456 5.4047 5.4047 7.1149 7.1149 3184 7.2729 7.2729 13.6681 13.6681 17.2761 17.2761 19.7617 19.7617 3185 21.9758 21.9758 24.7096 24.7096 29.8718 29.8718 30.4055 30.4055 3186 33.9293 33.9293 35.1805 35.1805 37.0928 37.0928 39.3175 39.3175 3187 40.8363 40.8363 41.8936 41.8936 3188 3189 k = 0.1046 0.0604 0.0962 band energies (ev): 3190 3191 -114.1637-114.1637 -68.8280 -68.8280 -68.8184 -68.8184 -68.8173 -68.8173 3192 -8.5523 -8.5523 2.3164 2.3164 3.0970 3.0970 3.1020 3.1020 3193 4.0246 4.0246 4.0507 4.0507 5.3404 5.3404 7.1145 7.1145 3194 7.2411 7.2411 13.7166 13.7166 17.2218 17.2218 19.7500 19.7500 3195 21.9856 21.9856 24.6697 24.6697 29.9767 29.9767 30.3756 30.3756 3196 33.9731 33.9731 35.1902 35.1902 37.2450 37.2450 39.4368 39.4368 3197 40.8547 40.8547 42.0620 42.0620 3198 3199 k = 0.1077 0.0622 0.0962 band energies (ev): 3200 3201 -114.1637-114.1637 -68.8280 -68.8280 -68.8185 -68.8185 -68.8173 -68.8173 3202 -8.5394 -8.5394 2.3138 2.3138 3.1083 3.1083 3.1173 3.1173 3203 4.0281 4.0281 4.0563 4.0563 5.2766 5.2766 7.1152 7.1152 3204 7.2103 7.2103 13.7624 13.7624 17.1704 17.1704 19.7380 19.7380 3205 21.9946 21.9946 24.6357 24.6357 30.0837 30.0837 30.3462 30.3462 3206 33.9949 33.9949 35.1916 35.1916 37.4120 37.4120 39.5574 39.5574 3207 40.8679 40.8679 42.2360 42.2360 3208 3209 k = 0.1108 0.0640 0.0962 band energies (ev): 3210 3211 -114.1637-114.1637 -68.8280 -68.8280 -68.8185 -68.8185 -68.8173 -68.8173 3212 -8.5271 -8.5271 2.3115 2.3115 3.1190 3.1190 3.1325 3.1325 3213 4.0316 4.0316 4.0623 4.0623 5.2137 5.2137 7.1166 7.1166 3214 7.1808 7.1808 13.8055 13.8055 17.1222 17.1222 19.7257 19.7257 3215 22.0026 22.0026 24.6074 24.6074 30.1921 30.1921 30.3174 30.3174 3216 33.9987 33.9987 35.1850 35.1850 37.5884 37.5884 39.6807 39.6807 3217 40.8754 40.8754 42.4148 42.4148 3218 3219 k = 0.1138 0.0657 0.0962 band energies (ev): 3220 3221 -114.1637-114.1637 -68.8280 -68.8280 -68.8186 -68.8186 -68.8173 -68.8173 3222 -8.5153 -8.5153 2.3097 2.3097 3.1291 3.1291 3.1475 3.1475 3223 4.0352 4.0352 4.0688 4.0688 5.1520 5.1520 7.1185 7.1185 3224 7.1526 7.1526 13.8458 13.8458 17.0771 17.0771 19.7131 19.7131 3225 22.0098 22.0098 24.5843 24.5843 30.2896 30.2896 30.3012 30.3012 3226 33.9884 33.9884 35.1708 35.1708 37.7681 37.7681 39.8086 39.8086 3227 40.8774 40.8774 42.5965 42.5965 3228 3229 k = 0.1169 0.0675 0.0962 band energies (ev): 3230 3231 -114.1637-114.1637 -68.8279 -68.8279 -68.8186 -68.8186 -68.8173 -68.8173 3232 -8.5042 -8.5042 2.3082 2.3082 3.1386 3.1386 3.1623 3.1623 3233 4.0388 4.0388 4.0759 4.0759 5.0918 5.0918 7.1209 7.1209 3234 7.1258 7.1258 13.8833 13.8833 17.0353 17.0353 19.7002 19.7002 3235 22.0162 22.0162 24.5660 24.5660 30.2627 30.2627 30.4102 30.4102 3236 33.9678 33.9678 35.1494 35.1494 37.9453 37.9453 39.9431 39.9431 3237 40.8742 40.8742 42.7788 42.7788 3238 3239 k = 0.1200 0.0693 0.0962 band energies (ev): 3240 3241 -114.1637-114.1637 -68.8279 -68.8279 -68.8186 -68.8186 -68.8173 -68.8173 3242 -8.4938 -8.4938 2.3070 2.3070 3.1475 3.1475 3.1767 3.1767 3243 4.0424 4.0424 4.0835 4.0835 5.0336 5.0336 7.1007 7.1007 3244 7.1236 7.1236 13.9179 13.9179 16.9968 16.9968 19.6873 19.6873 3245 22.0219 22.0219 24.5520 24.5520 30.2371 30.2371 30.5181 30.5181 3246 33.9400 33.9400 35.1216 35.1216 38.1146 38.1146 40.0861 40.0861 3247 40.8661 40.8661 42.9581 42.9581 3248 3249 k = 0.1231 0.0711 0.0962 band energies (ev): 3250 3251 -114.1637-114.1637 -68.8279 -68.8279 -68.8187 -68.8187 -68.8173 -68.8173 3252 -8.4841 -8.4841 2.3061 2.3061 3.1557 3.1557 3.1906 3.1906 3253 4.0459 4.0459 4.0917 4.0917 4.9777 4.9777 7.0773 7.0773 3254 7.1264 7.1264 13.9495 13.9495 16.9618 16.9618 19.6744 19.6744 3255 22.0269 22.0269 24.5418 24.5418 30.2128 30.2128 30.6238 30.6238 3256 33.9077 33.9077 35.0884 35.0884 38.2713 38.2713 40.2392 40.2392 3257 40.8543 40.8543 43.1297 43.1297 3258 3259 k = 0.1262 0.0728 0.0962 band energies (ev): 3260 3261 -114.1637-114.1637 -68.8279 -68.8279 -68.8187 -68.8187 -68.8173 -68.8173 3262 -8.4753 -8.4753 2.3054 2.3054 3.1631 3.1631 3.2038 3.2038 3263 4.0493 4.0493 4.1003 4.1003 4.9245 4.9245 7.0557 7.0557 3264 7.1292 7.1292 13.9782 13.9782 16.9302 16.9302 19.6619 19.6619 3265 22.0312 22.0312 24.5349 24.5349 30.1900 30.1900 30.7263 30.7263 3266 33.8733 33.8733 35.0509 35.0509 38.4120 38.4120 40.4027 40.4027 3267 40.8395 40.8395 43.2874 43.2874 3268 3269 k = 0.1292 0.0746 0.0962 band energies (ev): 3270 3271 -114.1637-114.1637 -68.8279 -68.8279 -68.8188 -68.8188 -68.8174 -68.8174 3272 -8.4672 -8.4672 2.3050 2.3050 3.1699 3.1699 3.2162 3.2162 3273 4.0526 4.0526 4.1094 4.1094 4.8745 4.8745 7.0361 7.0361 3274 7.1320 7.1320 14.0039 14.0039 16.9020 16.9020 19.6499 19.6499 3275 22.0349 22.0349 24.5306 24.5306 30.1689 30.1689 30.8243 30.8243 3276 33.8385 33.8385 35.0105 35.0105 38.5349 38.5349 40.5754 40.5754 3277 40.8229 40.8229 43.4230 43.4230 3278 3279 k = 0.1323 0.0764 0.0962 band energies (ev): 3280 3281 -114.1637-114.1637 -68.8279 -68.8279 -68.8188 -68.8188 -68.8174 -68.8174 3282 -8.4600 -8.4600 2.3047 2.3047 3.1758 3.1758 3.2277 3.2277 3283 4.0556 4.0556 4.1189 4.1189 4.8279 4.8279 7.0185 7.0185 3284 7.1346 7.1346 14.0266 14.0266 16.8772 16.8772 19.6386 19.6386 3285 22.0381 22.0381 24.5284 24.5284 30.1497 30.1497 30.9162 30.9162 3286 33.8049 33.8049 34.9688 34.9688 38.6393 38.6393 40.7546 40.7546 3287 40.8055 40.8055 43.5282 43.5282 3288 3289 k = 0.1354 0.0782 0.0962 band energies (ev): 3290 3291 -114.1637-114.1637 -68.8279 -68.8279 -68.8188 -68.8188 -68.8174 -68.8174 3292 -8.4537 -8.4537 2.3045 2.3045 3.1811 3.1811 3.2381 3.2381 3293 4.0583 4.0583 4.1284 4.1284 4.7855 4.7855 7.0030 7.0030 3294 7.1370 7.1370 14.0462 14.0462 16.8558 16.8558 19.6283 19.6283 3295 22.0408 22.0408 24.5277 24.5277 30.1326 30.1326 31.0006 31.0006 3296 33.7737 33.7737 34.9273 34.9273 38.7259 38.7259 40.7884 40.7884 3297 40.9360 40.9360 43.5962 43.5962 3298 3299 k = 0.1385 0.0799 0.0962 band energies (ev): 3300 3301 -114.1637-114.1637 -68.8279 -68.8279 -68.8188 -68.8188 -68.8174 -68.8174 3302 -8.4483 -8.4483 2.3045 2.3045 3.1855 3.1855 3.2472 3.2472 3303 4.0607 4.0607 4.1377 4.1377 4.7477 4.7477 6.9898 6.9898 3304 7.1391 7.1391 14.0629 14.0629 16.8377 16.8377 19.6192 19.6192 3305 22.0430 22.0430 24.5281 24.5281 30.1178 30.1178 31.0758 31.0758 3306 33.7458 33.7458 34.8879 34.8879 38.7957 38.7957 40.7724 40.7724 3307 41.1136 41.1136 43.6260 43.6260 3308 3309 k = 0.1415 0.0817 0.0962 band energies (ev): 3310 3311 -114.1637-114.1637 -68.8279 -68.8279 -68.8189 -68.8189 -68.8174 -68.8174 3312 -8.4439 -8.4439 2.3045 2.3045 3.1891 3.1891 3.2549 3.2549 3313 4.0627 4.0627 4.1465 4.1465 4.7153 4.7153 6.9789 6.9789 3314 7.1409 7.1409 14.0765 14.0765 16.8230 16.8230 19.6114 19.6114 3315 22.0447 22.0447 24.5291 24.5291 30.1054 30.1054 31.1403 31.1403 3316 33.7221 33.7221 34.8525 34.8525 38.8504 38.8504 40.7583 40.7583 3317 41.2802 41.2802 43.6236 43.6236 3318 3319 k = 0.1446 0.0835 0.0962 band energies (ev): 3320 3321 -114.1637-114.1637 -68.8279 -68.8279 -68.8189 -68.8189 -68.8174 -68.8174 3322 -8.4404 -8.4404 2.3045 2.3045 3.1920 3.1920 3.2611 3.2611 3323 4.0643 4.0643 4.1542 4.1542 4.6889 4.6889 6.9703 6.9703 3324 7.1424 7.1424 14.0871 14.0871 16.8116 16.8116 19.6052 19.6052 3325 22.0461 22.0461 24.5303 24.5303 30.0956 30.0956 31.1925 31.1925 3326 33.7030 33.7030 34.8227 34.8227 38.8913 38.8913 40.7468 40.7468 3327 41.4268 41.4268 43.6002 43.6002 3328 3329 k = 0.1477 0.0853 0.0962 band energies (ev): 3330 3331 -114.1637-114.1637 -68.8279 -68.8279 -68.8189 -68.8189 -68.8174 -68.8174 3332 -8.4379 -8.4379 2.3045 2.3045 3.1940 3.1940 3.2656 3.2656 3333 4.0655 4.0655 4.1603 4.1603 4.6694 4.6694 6.9642 6.9642 3334 7.1434 7.1434 14.0946 14.0946 16.8035 16.8035 19.6007 19.6007 3335 22.0470 22.0470 24.5314 24.5314 30.0885 30.0885 31.2308 31.2308 3336 33.6891 33.6891 34.8002 34.8002 38.9196 38.9196 40.7382 40.7382 3337 41.5434 41.5434 43.5694 43.5694 3338 3339 k = 0.1508 0.0870 0.0962 band energies (ev): 3340 3341 -114.1637-114.1637 -68.8279 -68.8279 -68.8189 -68.8189 -68.8174 -68.8174 3342 -8.4364 -8.4364 2.3046 2.3046 3.1952 3.1952 3.2683 3.2683 3343 4.0662 4.0662 4.1642 4.1642 4.6573 4.6573 6.9604 6.9604 3344 7.1441 7.1441 14.0992 14.0992 16.7986 16.7986 19.5979 19.5979 3345 22.0476 22.0476 24.5322 24.5322 30.0841 30.0841 31.2544 31.2544 3346 33.6806 33.6806 34.7862 34.7862 38.9362 38.9362 40.7329 40.7329 3347 41.6192 41.6192 43.5441 43.5441 3348 3349 k = 0.1538 0.0888 0.0962 band energies (ev): 3350 3351 -114.1637-114.1637 -68.8279 -68.8279 -68.8189 -68.8189 -68.8174 -68.8174 3352 -8.4359 -8.4359 2.3046 2.3046 3.1956 3.1956 3.2692 3.2692 3353 4.0664 4.0664 4.1656 4.1656 4.6532 4.6532 6.9592 6.9592 3354 7.1443 7.1443 14.1007 14.1007 16.7970 16.7970 19.5970 19.5970 3355 22.0478 22.0478 24.5324 24.5324 30.0827 30.0827 31.2623 31.2623 3356 33.6778 33.6778 34.7814 34.7814 38.9417 38.9417 40.7311 40.7311 3357 41.6456 41.6456 43.5343 43.5343 3358 3359 k = 0.1521 0.0919 0.0962 band energies (ev): 3360 3361 -114.1637-114.1637 -68.8279 -68.8279 -68.8189 -68.8189 -68.8174 -68.8174 3362 -8.4357 -8.4357 2.3054 2.3054 3.1949 3.1949 3.2696 3.2696 3363 4.0658 4.0658 4.1665 4.1665 4.6534 4.6534 6.9538 6.9538 3364 7.1465 7.1465 14.1049 14.1049 16.7972 16.7972 19.5897 19.5897 3365 22.0520 22.0520 24.5347 24.5347 30.0864 30.0864 31.2409 31.2409 3366 33.7005 33.7006 34.7792 34.7792 38.9334 38.9334 40.7353 40.7353 3367 41.6527 41.6527 43.5342 43.5342 3368 3369 k = 0.1503 0.0949 0.0962 band energies (ev): 3370 3371 -114.1637-114.1637 -68.8279 -68.8279 -68.8189 -68.8189 -68.8174 -68.8174 3372 -8.4353 -8.4353 2.3079 2.3079 3.1927 3.1927 3.2709 3.2709 3373 4.0640 4.0640 4.1693 4.1693 4.6541 4.6541 6.9383 6.9383 3374 7.1524 7.1524 14.1176 14.1176 16.7980 16.7980 19.5679 19.5679 3375 22.0647 22.0647 24.5414 24.5414 30.0972 30.0972 31.1792 31.1792 3376 33.7662 33.7662 34.7729 34.7729 38.9087 38.9087 40.7478 40.7478 3377 41.6735 41.6735 43.5338 43.5338 3378 3379 k = 0.1485 0.0980 0.0962 band energies (ev): 3380 3381 -114.1637-114.1637 -68.8279 -68.8279 -68.8189 -68.8189 -68.8174 -68.8174 3382 -8.4345 -8.4345 2.3121 2.3121 3.1891 3.1891 3.2730 3.2730 3383 4.0611 4.0611 4.1737 4.1737 4.6551 4.6551 6.9143 6.9143 3384 7.1607 7.1607 14.1386 14.1386 16.7993 16.7993 19.5322 19.5322 3385 22.0854 22.0854 24.5523 24.5523 30.1148 30.1148 31.0840 31.0840 3386 33.8679 33.8679 34.7629 34.7629 38.8689 38.8689 40.7683 40.7683 3387 41.7067 41.7067 43.5326 43.5326 3388 3389 k = 0.1468 0.1011 0.0962 band energies (ev): 3390 3391 -114.1637-114.1637 -68.8279 -68.8279 -68.8189 -68.8189 -68.8174 -68.8174 3392 -8.4335 -8.4335 2.3180 2.3180 3.1844 3.1844 3.2757 3.2757 3393 4.0573 4.0573 4.1795 4.1795 4.6565 4.6565 6.8833 6.8833 3394 7.1699 7.1699 14.1676 14.1676 16.8010 16.8010 19.4833 19.4833 3395 22.1139 22.1139 24.5670 24.5670 30.1381 30.1381 30.9641 30.9641 3396 33.9967 33.9967 34.7505 34.7505 38.8160 38.8160 40.7961 40.7961 3397 41.7500 41.7500 43.5305 43.5305 3398 3399 k = 0.1450 0.1041 0.0962 band energies (ev): 3400 3401 -114.1637-114.1637 -68.8279 -68.8279 -68.8189 -68.8189 -68.8174 -68.8174 3402 -8.4322 -8.4322 2.3254 2.3254 3.1786 3.1786 3.2789 3.2789 3403 4.0529 4.0529 4.1865 4.1865 4.6583 4.6583 6.8464 6.8464 3404 7.1792 7.1792 14.2046 14.2046 16.8032 16.8032 19.4222 19.4222 3405 22.1496 22.1496 24.5849 24.5849 30.1649 30.1649 30.8289 30.8289 3406 34.1425 34.1425 34.7384 34.7384 38.7521 38.7521 40.8305 40.8305 3407 41.8008 41.8008 43.5272 43.5272 3408 3409 k = 0.1432 0.1072 0.0962 band energies (ev): 3410 3411 -114.1637-114.1637 -68.8279 -68.8279 -68.8189 -68.8189 -68.8174 -68.8174 3412 -8.4307 -8.4307 2.3345 2.3345 3.1718 3.1718 3.2827 3.2827 3413 4.0480 4.0480 4.1945 4.1945 4.6605 4.6605 6.8045 6.8045 3414 7.1882 7.1882 14.2490 14.2490 16.8059 16.8059 19.3502 19.3502 3415 22.1919 22.1919 24.6053 24.6053 30.1892 30.1892 30.6904 30.6904 3416 34.2926 34.2926 34.7332 34.7332 38.6799 38.6799 40.8707 40.8707 3417 41.8553 41.8553 43.5237 43.5237 3418 3419 k = 0.1415 0.1103 0.0962 band energies (ev): 3420 3421 -114.1637-114.1637 -68.8279 -68.8279 -68.8188 -68.8188 -68.8175 -68.8175 3422 -8.4288 -8.4288 2.3450 2.3450 3.1641 3.1641 3.2868 3.2868 3423 4.0427 4.0427 4.2034 4.2034 4.6631 4.6631 6.7582 6.7582 3424 7.1966 7.1966 14.3007 14.3007 16.8089 16.8089 19.2682 19.2682 3425 22.2404 22.2404 24.6276 24.6276 30.1940 30.1940 30.5701 30.5701 3426 34.4231 34.4231 34.7539 34.7539 38.6020 38.6020 40.9157 40.9157 3427 41.9097 41.9097 43.5219 43.5219 3428 3429 k = 0.1397 0.1133 0.0962 band energies (ev): 3430 3431 -114.1637-114.1637 -68.8279 -68.8279 -68.8188 -68.8188 -68.8175 -68.8175 3432 -8.4268 -8.4268 2.3570 2.3570 3.1557 3.1557 3.2914 3.2914 3433 4.0370 4.0370 4.2130 4.2130 4.6660 4.6660 6.7079 6.7079 3434 7.2045 7.2045 14.3590 14.3590 16.8122 16.8122 19.1776 19.1776 3435 22.2945 22.2945 24.6508 24.6508 30.1423 30.1423 30.5082 30.5082 3436 34.4943 34.4943 34.8363 34.8363 38.5212 38.5212 40.9642 40.9642 3437 41.9595 41.9595 43.5251 43.5251 3438 3439 k = 0.1379 0.1164 0.0962 band energies (ev): 3440 3441 -114.1637-114.1637 -68.8279 -68.8279 -68.8188 -68.8188 -68.8175 -68.8175 3442 -8.4245 -8.4245 2.3704 2.3704 3.1466 3.1466 3.2965 3.2965 3443 4.0309 4.0309 4.2232 4.2232 4.6693 4.6693 6.6543 6.6543 3444 7.2117 7.2117 14.4237 14.4237 16.8158 16.8158 19.0794 19.0794 3445 22.3539 22.3539 24.6741 24.6741 30.0230 30.0230 30.5184 30.5184 3446 34.5046 34.5046 34.9785 34.9785 38.4406 38.4406 41.0150 41.0150 3447 42.0002 42.0002 43.5379 43.5379 3448 3449 k = 0.1362 0.1195 0.0962 band energies (ev): 3450 3451 -114.1637-114.1637 -68.8279 -68.8279 -68.8188 -68.8188 -68.8175 -68.8175 3452 -8.4220 -8.4220 2.3851 2.3851 3.1367 3.1367 3.3019 3.3019 3453 4.0246 4.0246 4.2339 4.2339 4.6728 4.6728 6.5978 6.5978 3454 7.2183 7.2183 14.4942 14.4942 16.8196 16.8196 18.9748 18.9748 3455 22.4181 22.4181 24.6967 24.6967 29.8699 29.8699 30.5685 30.5685 3456 34.4870 34.4870 35.1444 35.1444 38.3634 38.3634 41.0663 41.0663 3457 42.0283 42.0283 43.5650 43.5650 3458 3459 k = 0.1344 0.1225 0.0962 band energies (ev): 3460 3461 -114.1637-114.1637 -68.8279 -68.8279 -68.8188 -68.8188 -68.8176 -68.8176 3462 -8.4194 -8.4194 2.4010 2.4010 3.1263 3.1263 3.3079 3.3079 3463 4.0179 4.0179 4.2451 4.2451 4.6767 4.6767 6.5389 6.5389 3464 7.2244 7.2244 14.5702 14.5702 16.8235 16.8235 18.8648 18.8648 3465 22.4869 22.4869 24.7178 24.7178 29.7049 29.7049 30.6377 30.6377 3466 34.4585 34.4585 35.3136 35.3136 38.2932 38.2932 41.1160 41.1160 3467 42.0420 42.0420 43.6103 43.6103 3468 3469 k = 0.1326 0.1256 0.0962 band energies (ev): 3470 3471 -114.1637-114.1637 -68.8279 -68.8279 -68.8188 -68.8188 -68.8176 -68.8176 3472 -8.4166 -8.4166 2.4180 2.4180 3.1153 3.1153 3.3143 3.3143 3473 4.0109 4.0109 4.2566 4.2566 4.6808 4.6808 6.4782 6.4782 3474 7.2301 7.2301 14.6510 14.6510 16.8275 16.8275 18.7502 18.7502 3475 22.5600 22.5600 24.7367 24.7367 29.5367 29.5367 30.7183 30.7183 3476 34.4251 34.4251 35.4765 35.4765 38.2340 38.2340 41.1613 41.1613 3477 42.0428 42.0428 43.6749 43.6749 3478 3479 k = 0.1309 0.1286 0.0962 band energies (ev): 3480 3481 -114.1637-114.1637 -68.8279 -68.8279 -68.8188 -68.8188 -68.8176 -68.8176 3482 -8.4137 -8.4137 2.4360 2.4360 3.1038 3.1038 3.3213 3.3213 3483 4.0036 4.0036 4.2684 4.2684 4.6852 4.6852 6.4161 6.4162 3484 7.2353 7.2353 14.7362 14.7362 16.8314 16.8314 18.6321 18.6321 3485 22.6371 22.6371 24.7524 24.7524 29.3693 29.3693 30.8067 30.8067 3486 34.3898 34.3898 35.6260 35.6260 38.1906 38.1906 41.1984 41.1984 3487 42.0352 42.0352 43.7574 43.7574 3488 3489 k = 0.1291 0.1317 0.0962 band energies (ev): 3490 3491 -114.1637-114.1637 -68.8279 -68.8279 -68.8187 -68.8187 -68.8177 -68.8177 3492 -8.4107 -8.4107 2.4549 2.4549 3.0917 3.0917 3.3289 3.3289 3493 3.9959 3.9959 4.2803 4.2803 4.6896 4.6896 6.3534 6.3534 3494 7.2401 7.2401 14.8255 14.8255 16.8351 16.8351 18.5111 18.5111 3495 22.7180 22.7180 24.7644 24.7644 29.2049 29.2049 30.9009 30.9009 3496 34.3540 34.3540 35.7561 35.7561 38.1678 38.1678 41.2223 41.2223 3497 42.0266 42.0266 43.8534 43.8534 3498 3499 k = 0.1273 0.1348 0.0962 band energies (ev): 3500 3501 -114.1637-114.1637 -68.8279 -68.8279 -68.8187 -68.8187 -68.8177 -68.8177 3502 -8.4076 -8.4076 2.4744 2.4744 3.0793 3.0793 3.3371 3.3371 3503 3.9878 3.9878 4.2924 4.2924 4.6942 4.6942 6.2905 6.2905 3504 7.2446 7.2446 14.9184 14.9184 16.8385 16.8385 18.3881 18.3881 3505 22.8024 22.8024 24.7720 24.7720 29.0452 29.0452 30.9995 30.9995 3506 34.3191 34.3191 35.8615 35.8615 38.1705 38.1705 41.2280 41.2280 3507 42.0255 42.0255 43.9554 43.9554 3508 3509 k = 0.1256 0.1378 0.0962 band energies (ev): 3510 3511 -114.1637-114.1637 -68.8279 -68.8279 -68.8187 -68.8187 -68.8178 -68.8178 3512 -8.4045 -8.4045 2.4945 2.4945 3.0665 3.0665 3.3459 3.3459 3513 3.9793 3.9793 4.3046 4.3046 4.6989 4.6989 6.2280 6.2280 3514 7.2488 7.2488 15.0143 15.0143 16.8412 16.8412 18.2639 18.2639 3515 22.8900 22.8900 24.7746 24.7746 28.8914 28.8914 31.1008 31.1008 3516 34.2858 34.2858 35.9384 35.9384 38.2019 38.2019 41.2120 41.2120 3517 42.0386 42.0386 44.0517 44.0517 3518 3519 k = 0.1238 0.1409 0.0962 band energies (ev): 3520 3521 -114.1637-114.1637 -68.8279 -68.8279 -68.8187 -68.8187 -68.8178 -68.8178 3522 -8.4014 -8.4014 2.5149 2.5149 3.0535 3.0535 3.3553 3.3553 3523 3.9704 3.9704 4.3167 4.3167 4.7034 4.7034 6.1666 6.1666 3524 7.2527 7.2527 15.1131 15.1131 16.8432 16.8432 18.1392 18.1392 3525 22.9806 22.9806 24.7715 24.7715 28.7447 28.7447 31.2034 31.2034 3526 34.2552 34.2552 35.9853 35.9853 38.2630 38.2630 41.1741 41.1741 3527 42.0692 42.0692 44.1239 44.1239 3528 3529 k = 0.1220 0.1440 0.0962 band energies (ev): 3530 3531 -114.1637-114.1637 -68.8279 -68.8279 -68.8186 -68.8186 -68.8178 -68.8178 3532 -8.3983 -8.3983 2.5356 2.5356 3.0402 3.0402 3.3653 3.3653 3533 3.9611 3.9611 4.3286 4.3286 4.7078 4.7078 6.1070 6.1070 3534 7.2563 7.2563 15.2142 15.2142 16.8439 16.8439 18.0149 18.0149 3535 23.0738 23.0738 24.7624 24.7624 28.6061 28.6061 31.3059 31.3059 3536 34.2281 34.2281 36.0036 36.0036 38.3520 38.3520 41.1178 41.1178 3537 42.1164 42.1164 44.1475 44.1475 3538 3539 k = 0.1202 0.1470 0.0962 band energies (ev): 3540 3541 -114.1637-114.1637 -68.8279 -68.8279 -68.8186 -68.8186 -68.8179 -68.8179 3542 -8.3953 -8.3953 2.5562 2.5562 3.0269 3.0269 3.3758 3.3758 3543 3.9515 3.9515 4.3403 4.3403 4.7119 4.7119 6.0497 6.0497 3544 7.2596 7.2596 15.3173 15.3173 16.8429 16.8429 17.8920 17.8920 3545 23.1692 23.1692 24.7467 24.7467 28.4766 28.4766 31.4064 31.4064 3546 34.2052 34.2052 35.9971 35.9971 38.4644 38.4644 41.0480 41.0480 3547 42.1772 42.1772 44.1122 44.1122 3548 3549 k = 0.1185 0.1501 0.0962 band energies (ev): 3550 3551 -114.1637-114.1637 -68.8279 -68.8279 -68.8186 -68.8186 -68.8179 -68.8179 3552 -8.3924 -8.3924 2.5765 2.5765 3.0136 3.0136 3.3867 3.3867 3553 3.9417 3.9417 4.3517 4.3517 4.7155 4.7155 5.9955 5.9955 3554 7.2626 7.2626 15.4222 15.4222 16.8394 16.8394 17.7715 17.7715 3555 23.2663 23.2663 24.7241 24.7241 28.3572 28.3572 31.5032 31.5032 3556 34.1874 34.1874 35.9712 35.9712 38.5942 38.5942 40.9698 40.9698 3557 42.2482 42.2482 44.0362 44.0362 3558 3559 k = 0.1167 0.1531 0.0962 band energies (ev): 3560 3561 -114.1637-114.1637 -68.8279 -68.8279 -68.8186 -68.8186 -68.8180 -68.8180 3562 -8.3897 -8.3897 2.5963 2.5963 3.0004 3.0004 3.3979 3.3979 3563 3.9317 3.9317 4.3626 4.3626 4.7186 4.7186 5.9449 5.9449 3564 7.2654 7.2654 15.5284 15.5284 16.8322 16.8322 17.6552 17.6552 3565 23.3647 23.3647 24.6944 24.6944 28.2486 28.2486 31.5945 31.5945 3566 34.1752 34.1752 35.9311 35.9311 38.7349 38.7349 40.8875 40.8875 3567 42.3259 42.3259 43.9426 43.9426 3568 3569 k = 0.1149 0.1562 0.0962 band energies (ev): 3570 3571 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8185 -68.8180 -68.8180 3572 -8.3871 -8.3871 2.6153 2.6153 2.9877 2.9877 3.4091 3.4091 3573 3.9218 3.9218 4.3729 4.3729 4.7210 4.7210 5.8986 5.8986 3574 7.2678 7.2678 15.6357 15.6357 16.8196 16.8196 17.5451 17.5451 3575 23.4637 23.4637 24.6574 24.6574 28.1518 28.1518 31.6785 31.6785 3576 34.1689 34.1689 35.8821 35.8821 38.8802 38.8802 40.8050 40.8050 3577 42.4074 42.4074 43.8464 43.8464 3578 3579 k = 0.1132 0.1593 0.0962 band energies (ev): 3580 3581 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8185 -68.8181 -68.8181 3582 -8.3848 -8.3848 2.6331 2.6331 2.9755 2.9755 3.4203 3.4203 3583 3.9121 3.9121 4.3826 4.3826 4.7225 4.7225 5.8573 5.8573 3584 7.2700 7.2700 15.7437 15.7437 16.7989 16.7989 17.4441 17.4441 3585 23.5626 23.5626 24.6131 24.6131 28.0673 28.0673 31.7534 31.7534 3586 34.1687 34.1687 35.8286 35.8286 39.0236 39.0236 40.7257 40.7257 3587 42.4890 42.4890 43.7572 43.7572 3588 3589 k = 0.1114 0.1623 0.0962 band energies (ev): 3590 3591 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8185 -68.8181 -68.8181 3592 -8.3827 -8.3827 2.6494 2.6494 2.9642 2.9642 3.4309 3.4309 3593 3.9029 3.9029 4.3914 4.3914 4.7231 4.7231 5.8216 5.8216 3594 7.2719 7.2719 15.8521 15.8521 16.7668 16.7668 17.3561 17.3561 3595 23.6605 23.6605 24.5620 24.5620 27.9956 27.9956 31.8178 31.8178 3596 34.1740 34.1740 35.7748 35.7748 39.1588 39.1588 40.6529 40.6529 3597 42.5666 42.5666 43.6831 43.6831 3598 3599 k = 0.1096 0.1654 0.0962 band energies (ev): 3600 3601 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8185 -68.8181 -68.8181 3602 -8.3809 -8.3809 2.6636 2.6636 2.9541 2.9541 3.4406 3.4406 3603 3.8945 3.8945 4.3992 4.3992 4.7229 4.7229 5.7918 5.7918 3604 7.2734 7.2734 15.9607 15.9607 16.7198 16.7198 17.2849 17.2849 3605 23.7564 23.7564 24.5047 24.5047 27.9373 27.9373 31.8705 31.8705 3606 34.1838 34.1838 35.7242 35.7242 39.2792 39.2792 40.5902 40.5902 3607 42.6348 42.6348 43.6324 43.6324 3608 3609 k = 0.1079 0.1685 0.0962 band energies (ev): 3610 3611 -114.1637-114.1637 -68.8279 -68.8279 -68.8184 -68.8184 -68.8182 -68.8182 3612 -8.3795 -8.3795 2.6754 2.6754 2.9457 2.9457 3.4490 3.4490 3613 3.8873 3.8873 4.4058 4.4058 4.7220 4.7220 5.7684 5.7684 3614 7.2746 7.2746 16.0689 16.0689 16.6562 16.6562 17.2326 17.2326 3615 23.8483 23.8483 24.4427 24.4427 27.8923 27.8923 31.9110 31.9110 3616 34.1961 34.1961 35.6802 35.6802 39.3784 39.3784 40.5411 40.5411 3617 42.6879 42.6879 43.6134 43.6134 3618 3619 k = 0.1061 0.1715 0.0962 band energies (ev): 3620 3621 -114.1637-114.1637 -68.8279 -68.8279 -68.8184 -68.8184 -68.8182 -68.8182 3622 -8.3784 -8.3784 2.6843 2.6843 2.9393 2.9393 3.4556 3.4556 3623 3.8817 3.8817 4.4109 4.4109 4.7206 4.7206 5.7516 5.7516 3624 7.2755 7.2755 16.1763 16.1763 16.5771 16.5771 17.1988 17.1988 3625 23.9328 23.9328 24.3795 24.3795 27.8606 27.8606 31.9392 31.9392 3626 34.2084 34.2084 35.6460 35.6460 39.4504 39.4504 40.5082 40.5082 3627 42.7222 42.7222 43.6318 43.6318 3628 3629 k = 0.1043 0.1746 0.0962 band energies (ev): 3630 3631 -114.1637-114.1637 -68.8279 -68.8279 -68.8184 -68.8184 -68.8182 -68.8182 3632 -8.3777 -8.3777 2.6897 2.6897 2.9353 2.9353 3.4598 3.4598 3633 3.8781 3.8781 4.4142 4.4142 4.7194 4.7194 5.7416 5.7416 3634 7.2760 7.2760 16.2823 16.2823 16.4860 16.4860 17.1805 17.1805 3635 24.0009 24.0009 24.3241 24.3241 27.8420 27.8420 31.9554 31.9554 3636 34.2178 34.2178 35.6241 35.6241 39.4923 39.4923 40.4915 40.4915 3637 42.7390 42.7390 43.6875 43.6875 3638 3639 k = 0.1026 0.1776 0.0962 band energies (ev): 3640 3641 -114.1637-114.1637 -68.8279 -68.8279 -68.8184 -68.8184 -68.8182 -68.8182 3642 -8.3775 -8.3775 2.6916 2.6916 2.9340 2.9340 3.4613 3.4613 3643 3.8769 3.8769 4.4153 4.4153 4.7188 4.7188 5.7383 5.7383 3644 7.2762 7.2762 16.3809 16.3809 16.3919 16.3919 17.1749 17.1749 3645 24.0304 24.0304 24.2987 24.2987 27.8360 27.8360 31.9606 31.9606 3646 34.2214 34.2214 35.6166 35.6166 39.5054 39.5054 40.4873 40.4873 3647 42.7433 42.7433 43.7611 43.7611 3648 3649 k = 0.1008 0.1746 0.0962 band energies (ev): 3650 3651 -114.1637-114.1637 -68.8279 -68.8279 -68.8184 -68.8184 -68.8182 -68.8182 3652 -8.3778 -8.3778 2.6898 2.6898 2.9353 2.9353 3.4597 3.4597 3653 3.8782 3.8782 4.4141 4.4141 4.7196 4.7196 5.7415 5.7415 3654 7.2760 7.2760 16.2817 16.2817 16.4871 16.4871 17.1801 17.1801 3655 24.0005 24.0005 24.3246 24.3246 27.8418 27.8418 31.9559 31.9559 3656 34.2172 34.2172 35.6242 35.6242 39.4945 39.4945 40.4890 40.4890 3657 42.7403 42.7403 43.6806 43.6806 3658 3659 k = 0.0990 0.1715 0.0962 band energies (ev): 3660 3661 -114.1637-114.1637 -68.8279 -68.8279 -68.8184 -68.8184 -68.8182 -68.8182 3662 -8.3785 -8.3785 2.6846 2.6846 2.9388 2.9388 3.4551 3.4551 3663 3.8819 3.8819 4.4102 4.4102 4.7225 4.7225 5.7510 5.7510 3664 7.2755 7.2755 16.1742 16.1742 16.5828 16.5828 17.1953 17.1953 3665 23.9306 23.9306 24.3827 24.3827 27.8584 27.8584 31.9427 31.9427 3666 34.2038 34.2038 35.6463 35.6463 39.4663 39.4663 40.4892 40.4892 3667 42.7320 42.7320 43.6030 43.6030 3668 3669 k = 0.0973 0.1685 0.0962 band energies (ev): 3670 3671 -114.1637-114.1637 -68.8279 -68.8279 -68.8184 -68.8184 -68.8182 -68.8182 3672 -8.3798 -8.3798 2.6766 2.6766 2.9443 2.9443 3.4474 3.4474 3673 3.8880 3.8880 4.4035 4.4035 4.7280 4.7280 5.7664 5.7664 3674 7.2746 7.2746 16.0653 16.0653 16.6717 16.6717 17.2212 17.2212 3675 23.8432 23.8432 24.4513 24.4513 27.8847 27.8847 31.9227 31.9227 3676 34.1814 34.1814 35.6811 35.6811 39.4271 39.4271 40.4827 40.4827 3677 42.7164 42.7164 43.5484 43.5484 3678 3679 k = 0.0955 0.1654 0.0962 band energies (ev): 3680 3681 -114.1637-114.1637 -68.8279 -68.8279 -68.8184 -68.8184 -68.8181 -68.8181 3682 -8.3816 -8.3816 2.6661 2.6661 2.9511 2.9511 3.4370 3.4370 3683 3.8961 3.8961 4.3943 4.3943 4.7366 4.7366 5.7873 5.7873 3684 7.2733 7.2733 15.9560 15.9560 16.7514 16.7514 17.2591 17.2591 3685 23.7474 23.7474 24.5216 24.5216 27.9193 27.9193 31.8976 31.8976 3686 34.1508 34.1508 35.7256 35.7256 39.3817 39.3817 40.4668 40.4668 3687 42.6897 42.6897 43.5207 43.5207 3688 3689 k = 0.0937 0.1623 0.0962 band energies (ev): 3690 3691 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8185 -68.8181 -68.8181 3692 -8.3840 -8.3840 2.6538 2.6538 2.9587 2.9587 3.4242 3.4242 3693 3.9057 3.9057 4.3825 4.3825 4.7486 4.7486 5.8133 5.8133 3694 7.2716 7.2716 15.8468 15.8468 16.8199 16.8199 17.3104 17.3104 3695 23.6470 23.6470 24.5907 24.5907 27.9606 27.9606 31.8689 31.8689 3696 34.1134 34.1134 35.7765 35.7765 39.3337 39.3337 40.4410 40.4410 3697 42.6499 42.6499 43.5179 43.5179 3698 3699 k = 0.0920 0.1593 0.0962 band energies (ev): 3700 3701 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8185 -68.8181 -68.8181 3702 -8.3871 -8.3871 2.6400 2.6400 2.9668 2.9668 3.4096 3.4096 3703 3.9162 3.9162 4.3687 4.3687 4.7640 4.7640 5.8440 5.8440 3704 7.2696 7.2696 15.7384 15.7384 16.8767 16.8767 17.3753 17.3753 3705 23.5439 23.5439 24.6575 24.6575 28.0069 28.0069 31.8384 31.8384 3706 34.0709 34.0709 35.8302 35.8302 39.2855 39.2855 40.4061 40.4061 3707 42.5981 42.5981 43.5298 43.5298 3708 3709 k = 0.0902 0.1562 0.0962 band energies (ev): 3710 3711 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8185 -68.8180 -68.8180 3712 -8.3907 -8.3907 2.6252 2.6252 2.9748 2.9748 3.3935 3.3935 3713 3.9273 3.9273 4.3532 4.3532 4.7828 4.7828 5.8790 5.8790 3714 7.2673 7.2673 15.6308 15.6308 16.9227 16.9227 17.4525 17.4525 3715 23.4395 23.4395 24.7216 24.7216 28.0562 28.0562 31.8078 31.8078 3716 34.0248 34.0248 35.8834 35.8834 39.2388 39.2388 40.3636 40.3636 3717 42.5375 42.5375 43.5364 43.5364 3718 3719 k = 0.0884 0.1531 0.0962 band energies (ev): 3720 3721 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8185 -68.8180 -68.8180 3722 -8.3950 -8.3950 2.6097 2.6097 2.9826 2.9826 3.3765 3.3765 3723 3.9385 3.9385 4.3365 4.3365 4.8051 4.8051 5.9179 5.9179 3724 7.2646 7.2646 15.5245 15.5245 16.9603 16.9603 17.5393 17.5393 3725 23.3345 23.3345 24.7829 24.7829 28.1065 28.1065 31.7786 31.7786 3726 33.9766 33.9766 35.9333 35.9333 39.1948 39.1948 40.3148 40.3148 3727 42.4708 42.4708 43.5064 43.5064 3728 3729 k = 0.0866 0.1501 0.0962 band energies (ev): 3730 3731 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8185 -68.8180 -68.8180 3732 -8.4000 -8.4000 2.5936 2.5936 2.9899 2.9899 3.3589 3.3589 3733 3.9494 3.9494 4.3188 4.3188 4.8305 4.8305 5.9603 5.9603 3734 7.2616 7.2616 15.4195 15.4195 16.9920 16.9920 17.6332 17.6332 3735 23.2297 23.2297 24.8416 24.8416 28.1558 28.1558 31.7524 31.7524 3736 33.9274 33.9274 35.9775 35.9775 39.1541 39.1541 40.2606 40.2606 3737 42.3978 42.3978 43.4068 43.4068 3738 3739 k = 0.0849 0.1470 0.0962 band energies (ev): 3740 3741 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8185 -68.8179 -68.8179 3742 -8.4056 -8.4056 2.5774 2.5774 2.9965 2.9965 3.3411 3.3411 3743 3.9597 3.9597 4.3005 4.3005 4.8590 4.8590 6.0059 6.0059 3744 7.2583 7.2583 15.3159 15.3159 17.0199 17.0199 17.7318 17.7318 3745 23.1258 23.1258 24.8980 24.8980 28.2020 28.2020 31.7307 31.7307 3746 33.8784 33.8784 36.0143 36.0143 39.1170 39.1170 40.2009 40.2009 3747 42.3138 42.3138 43.2361 43.2361 3748 3749 k = 0.0831 0.1440 0.0962 band energies (ev): 3750 3751 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8185 -68.8179 -68.8179 3752 -8.4119 -8.4119 2.5610 2.5610 3.0022 3.0022 3.3234 3.3234 3753 3.9693 3.9693 4.2820 4.2820 4.8905 4.8905 6.0545 6.0545 3754 7.2548 7.2548 15.2137 15.2137 17.0456 17.0456 17.8335 17.8335 3755 23.0232 23.0232 24.9523 24.9523 28.2431 28.2431 31.7145 31.7145 3756 33.8304 33.8304 36.0423 36.0423 39.0833 39.0833 40.1349 40.1349 3757 42.2060 42.2060 43.0365 43.0365 3758 3759 k = 0.0813 0.1409 0.0962 band energies (ev): 3760 3761 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8185 -68.8179 -68.8179 3762 -8.4188 -8.4188 2.5448 2.5448 3.0068 3.0068 3.3060 3.3060 3763 3.9780 3.9780 4.2634 4.2634 4.9248 4.9248 6.1057 6.1057 3764 7.2510 7.2510 15.1130 15.1130 17.0702 17.0702 17.9370 17.9370 3765 22.9225 22.9225 25.0049 25.0049 28.2773 28.2773 31.7048 31.7048 3766 33.7844 33.7844 36.0607 36.0607 39.0525 39.0525 40.0608 40.0608 3767 42.0552 42.0552 42.8622 42.8622 3768 3769 k = 0.0796 0.1378 0.0962 band energies (ev): 3770 3771 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8185 -68.8178 -68.8178 3772 -8.4264 -8.4264 2.5287 2.5287 3.0104 3.0104 3.2892 3.2892 3773 3.9857 3.9857 4.2449 4.2449 4.9616 4.9616 6.1592 6.1592 3774 7.2471 7.2471 15.0138 15.0138 17.0946 17.0946 18.0415 18.0415 3775 22.8240 22.8240 25.0562 25.0562 28.3032 28.3032 31.7021 31.7021 3776 33.7412 33.7412 36.0693 36.0693 39.0236 39.0236 39.9753 39.9753 3777 41.8523 41.8523 42.7467 42.7467 3778 3779 k = 0.0778 0.1348 0.0962 band energies (ev): 3780 3781 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8185 -68.8178 -68.8178 3782 -8.4347 -8.4347 2.5131 2.5131 3.0126 3.0126 3.2731 3.2731 3783 3.9924 3.9924 4.2267 4.2267 5.0008 5.0008 6.2148 6.2148 3784 7.2431 7.2431 14.9161 14.9161 17.1192 17.1192 18.1462 18.1462 3785 22.7282 22.7282 25.1064 25.1064 28.3197 28.3197 31.7062 31.7062 3786 33.7018 33.7018 36.0682 36.0682 38.9947 38.9947 39.8746 39.8746 3787 41.6143 41.6143 42.6901 42.6901 3788 3789 k = 0.0760 0.1317 0.0962 band energies (ev): 3790 3791 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8185 -68.8177 -68.8177 3792 -8.4437 -8.4437 2.4980 2.4980 3.0136 3.0136 3.2579 3.2579 3793 3.9980 3.9980 4.2089 4.2089 5.0423 5.0423 6.2722 6.2722 3794 7.2391 7.2391 14.8198 14.8198 17.1446 17.1446 18.2507 18.2507 3795 22.6355 22.6355 25.1558 25.1558 28.3263 28.3263 31.7167 31.7167 3796 33.6671 33.6671 36.0577 36.0577 38.9625 38.9625 39.7548 39.7548 3797 41.3689 41.3689 42.6773 42.6773 3798 3799 k = 0.0743 0.1286 0.0962 band energies (ev): 3800 3801 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8185 -68.8177 -68.8177 3802 -8.4532 -8.4532 2.4835 2.4835 3.0132 3.0132 3.2434 3.2434 3803 4.0027 4.0027 4.1917 4.1917 5.0858 5.0858 6.3311 6.3311 3804 7.2350 7.2350 14.7249 14.7249 17.1710 17.1710 18.3543 18.3543 3805 22.5460 22.5460 25.2048 25.2048 28.3228 28.3228 31.7325 31.7325 3806 33.6381 33.6381 36.0383 36.0383 38.9210 38.9210 39.6149 39.6149 3807 41.1384 41.1384 42.6958 42.6958 3808 3809 k = 0.0725 0.1256 0.0962 band energies (ev): 3810 3811 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8185 -68.8177 -68.8177 3812 -8.4634 -8.4634 2.4697 2.4697 3.0115 3.0115 3.2298 3.2298 3813 4.0064 4.0064 4.1751 4.1751 5.1311 5.1311 6.3913 6.3913 3814 7.2311 7.2311 14.6313 14.6313 17.1987 17.1987 18.4568 18.4568 3815 22.4603 22.4603 25.2535 25.2535 28.3095 28.3095 31.7518 31.7518 3816 33.6156 33.6156 36.0106 36.0106 38.8577 38.8577 39.4632 39.4632 3817 40.9357 40.9357 42.7379 42.7379 3818 3819 k = 0.0707 0.1225 0.0962 band energies (ev): 3820 3821 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8185 -68.8176 -68.8176 3822 -8.4742 -8.4742 2.4568 2.4568 3.0086 3.0086 3.2169 3.2169 3823 4.0092 4.0092 4.1592 4.1592 5.1781 5.1781 6.4525 6.4525 3824 7.2275 7.2275 14.5390 14.5390 17.2280 17.2280 18.5577 18.5577 3825 22.3785 22.3785 25.3021 25.3021 28.2873 28.2873 31.7728 31.7728 3826 33.6007 33.6007 35.9749 35.9749 38.7508 38.7508 39.3227 39.3227 3827 40.7652 40.7652 42.7987 42.7987 3828 3829 k = 0.0690 0.1195 0.0962 band energies (ev): 3830 3831 -114.1637-114.1637 -68.8279 -68.8279 -68.8184 -68.8184 -68.8176 -68.8176 3832 -8.4855 -8.4855 2.4447 2.4447 3.0045 3.0045 3.2047 3.2047 3833 4.0113 4.0113 4.1441 4.1441 5.2266 5.2266 6.5144 6.5144 3834 7.2242 7.2242 14.4479 14.4479 17.2589 17.2589 18.6567 18.6567 3835 22.3009 22.3009 25.3508 25.3508 28.2572 28.2572 31.7934 31.7934 3836 33.5940 33.5940 35.9312 35.9312 38.5800 38.5800 39.2198 39.2198 3837 40.6242 40.6242 42.8739 42.8739 3838 3839 k = 0.0672 0.1164 0.0962 band energies (ev): 3840 3841 -114.1637-114.1637 -68.8279 -68.8279 -68.8184 -68.8184 -68.8176 -68.8176 3842 -8.4974 -8.4974 2.4335 2.4335 2.9993 2.9993 3.1930 3.1930 3843 4.0127 4.0127 4.1298 4.1298 5.2763 5.2763 6.5769 6.5769 3844 7.2214 7.2214 14.3580 14.3580 17.2916 17.2916 18.7534 18.7534 3845 22.2278 22.2278 25.3996 25.3996 28.2206 28.2206 31.8115 31.8115 3846 33.5960 33.5960 35.8788 35.8788 38.3518 38.3518 39.1573 39.1573 3847 40.5069 40.5069 42.9592 42.9592 3848 3849 k = 0.0654 0.1133 0.0962 band energies (ev): 3850 3851 -114.1637-114.1637 -68.8279 -68.8279 -68.8184 -68.8184 -68.8175 -68.8175 3852 -8.5099 -8.5099 2.4234 2.4234 2.9932 2.9932 3.1816 3.1816 3853 4.0134 4.0134 4.1164 4.1164 5.3271 5.3271 6.6395 6.6395 3854 7.2194 7.2194 14.2691 14.2691 17.3263 17.3263 18.8475 18.8475 3855 22.1594 22.1594 25.4486 25.4486 28.1788 28.1788 31.8252 31.8252 3856 33.6065 33.6065 35.8164 35.8164 38.0907 38.0907 39.1203 39.1203 3857 40.4069 40.4069 43.0491 43.0491 3858 3859 k = 0.0637 0.1103 0.0962 band energies (ev): 3860 3861 -114.1637-114.1637 -68.8279 -68.8279 -68.8183 -68.8183 -68.8175 -68.8175 3862 -8.5228 -8.5228 2.4144 2.4144 2.9864 2.9864 3.1703 3.1703 3863 4.0135 4.0135 4.1040 4.1040 5.3788 5.3788 6.7019 6.7019 3864 7.2184 7.2184 14.1813 14.1813 17.3629 17.3629 18.9386 18.9386 3865 22.0959 22.0959 25.4978 25.4978 28.1336 28.1336 31.8334 31.8334 3866 33.6250 33.6250 35.7413 35.7413 37.8184 37.8184 39.0971 39.0971 3867 40.3191 40.3191 43.1355 43.1355 3868 3869 k = 0.0619 0.1072 0.0962 band energies (ev): 3870 3871 -114.1637-114.1637 -68.8280 -68.8280 -68.8183 -68.8183 -68.8175 -68.8175 3872 -8.5361 -8.5361 2.4064 2.4064 2.9791 2.9791 3.1589 3.1589 3873 4.0132 4.0132 4.0926 4.0926 5.4311 5.4311 6.7638 6.7638 3874 7.2186 7.2186 14.0944 14.0944 17.4016 17.4016 19.0265 19.0265 3875 22.0374 22.0374 25.5471 25.5471 28.0864 28.0864 31.8352 31.8352 3876 33.6504 33.6504 35.6493 35.6493 37.5508 37.5508 39.0809 39.0809 3877 40.2396 40.2396 43.2058 43.2058 3878 3879 k = 0.0601 0.1041 0.0962 band energies (ev): 3880 3881 -114.1637-114.1637 -68.8280 -68.8280 -68.8183 -68.8183 -68.8174 -68.8174 3882 -8.5499 -8.5499 2.3995 2.3995 2.9713 2.9713 3.1474 3.1474 3883 4.0124 4.0124 4.0820 4.0820 5.4839 5.4839 6.8248 6.8248 3884 7.2205 7.2205 14.0084 14.0084 17.4423 17.4423 19.1110 19.1110 3885 21.9841 21.9841 25.5965 25.5965 28.0387 28.0387 31.8305 31.8305 3886 33.6808 33.6808 35.5347 35.5347 37.3010 37.3010 39.0683 39.0683 3887 40.1659 40.1659 43.2392 43.2392 3888 3889 k = 0.0584 0.1011 0.0962 band energies (ev): 3890 3891 -114.1637-114.1637 -68.8280 -68.8280 -68.8182 -68.8182 -68.8174 -68.8174 3892 -8.5640 -8.5640 2.3938 2.3938 2.9632 2.9632 3.1355 3.1355 3893 4.0114 4.0114 4.0725 4.0725 5.5369 5.5369 6.8842 6.8842 3894 7.2247 7.2247 13.9232 13.9232 17.4850 17.4850 19.1918 19.1918 3895 21.9361 21.9361 25.6459 25.6459 27.9922 27.9922 31.8194 31.8194 3896 33.7142 33.7142 35.3913 35.3913 37.0801 37.0801 39.0572 39.0572 3897 40.0963 40.0963 43.2094 43.2094 3898 3899 k = 0.0566 0.0980 0.0962 band energies (ev): 3900 3901 -114.1637-114.1637 -68.8280 -68.8280 -68.8182 -68.8182 -68.8174 -68.8174 3902 -8.5784 -8.5784 2.3892 2.3892 2.9550 2.9550 3.1233 3.1233 3903 4.0100 4.0100 4.0639 4.0639 5.5897 5.5897 6.9414 6.9414 3904 7.2319 7.2319 13.8387 13.8387 17.5297 17.5297 19.2688 19.2688 3905 21.8932 21.8932 25.6951 25.6951 27.9482 27.9482 31.8026 31.8026 3906 33.7478 33.7478 35.2148 35.2148 36.8962 36.8962 39.0459 39.0459 3907 40.0296 40.0296 43.1032 43.1032 3908 3909 k = 0.0548 0.0949 0.0962 band energies (ev): 3910 3911 -114.1637-114.1637 -68.8280 -68.8280 -68.8181 -68.8181 -68.8173 -68.8173 3912 -8.5931 -8.5931 2.3857 2.3857 2.9466 2.9466 3.1105 3.1105 3913 4.0085 4.0085 4.0561 4.0561 5.6423 5.6423 6.9952 6.9952 3914 7.2431 7.2431 13.7550 13.7550 17.5762 17.5762 19.3420 19.3420 3915 21.8556 21.8556 25.7440 25.7440 27.9079 27.9079 31.7808 31.7808 3916 33.7788 33.7788 35.0054 35.0054 36.7518 36.7518 39.0333 39.0333 3917 39.9652 39.9652 42.9362 42.9362 3918 3919 k = 0.0531 0.0919 0.0962 band energies (ev): 3920 3921 -114.1637-114.1637 -68.8280 -68.8280 -68.8181 -68.8181 -68.8173 -68.8173 3922 -8.6080 -8.6080 2.3833 2.3833 2.9382 2.9382 3.0973 3.0973 3923 4.0069 4.0069 4.0492 4.0492 5.6941 5.6941 7.0445 7.0445 3924 7.2598 7.2598 13.6719 13.6719 17.6244 17.6244 19.4114 19.4114 3925 21.8228 21.8228 25.7925 25.7925 27.8727 27.8727 31.7547 31.7547 3926 33.8030 33.8030 34.7694 34.7694 36.6440 36.6440 39.0182 39.0182 3927 39.9030 39.9030 42.7349 42.7349 3928 3929 k = 0.0513 0.0888 0.0962 band energies (ev): 3930 3931 -114.1637-114.1637 -68.8280 -68.8280 -68.8180 -68.8180 -68.8173 -68.8173 3932 -8.6231 -8.6231 2.3820 2.3820 2.9298 2.9298 3.0836 3.0836 3933 4.0052 4.0052 4.0431 4.0431 5.7449 5.7449 7.0878 7.0878 3934 7.2834 7.2834 13.5894 13.5894 17.6740 17.6740 19.4772 19.4772 3935 21.7948 21.7948 25.8404 25.8404 27.8434 27.8434 31.7250 31.7250 3936 33.8136 33.8136 34.5196 34.5196 36.5662 36.5662 38.9996 38.9996 3937 39.8431 39.8431 42.5188 42.5188 3938 3939 k = 0.0495 0.0858 0.0962 band energies (ev): 3940 3941 -114.1637-114.1637 -68.8280 -68.8280 -68.8180 -68.8180 -68.8172 -68.8172 3942 -8.6383 -8.6383 2.3817 2.3817 2.9215 2.9215 3.0694 3.0694 3943 4.0035 4.0035 4.0376 4.0376 5.7944 5.7944 7.1246 7.1246 3944 7.3146 7.3146 13.5075 13.5075 17.7249 17.7249 19.5397 19.5397 3945 21.7712 21.7712 25.8877 25.8877 27.8211 27.8211 31.6922 31.6922 3946 33.7922 33.7922 34.2808 34.2808 36.5105 36.5105 38.9764 38.9764 3947 39.7859 39.7859 42.2991 42.2991 3948 3949 k = 0.0477 0.0827 0.0962 band energies (ev): 3950 3951 -114.1638-114.1638 -68.8280 -68.8280 -68.8179 -68.8179 -68.8172 -68.8172 3952 -8.6535 -8.6535 2.3824 2.3824 2.9133 2.9133 3.0548 3.0548 3953 4.0019 4.0019 4.0328 4.0328 5.8422 5.8422 7.1559 7.1559 3954 7.3526 7.3526 13.4262 13.4262 17.7767 17.7767 19.5995 19.5995 3955 21.7513 21.7513 25.9343 25.9343 27.8064 27.8064 31.6566 31.6566 3956 33.6899 33.6899 34.1078 34.1078 36.4695 36.4695 38.9478 38.9478 3957 39.7321 39.7321 42.0824 42.0824 3958 3959 k = 0.0460 0.0796 0.0962 band energies (ev): 3960 3961 -114.1638-114.1638 -68.8280 -68.8280 -68.8179 -68.8179 -68.8172 -68.8172 3962 -8.6688 -8.6688 2.3841 2.3841 2.9053 2.9053 3.0399 3.0399 3963 4.0004 4.0004 4.0285 4.0285 5.8880 5.8880 7.1837 7.1837 3964 7.3955 7.3955 13.3455 13.3455 17.8290 17.8290 19.6570 19.6570 3965 21.7349 21.7349 25.9805 25.9805 27.7996 27.7996 31.6180 31.6180 3966 33.4790 33.4790 34.0339 34.0339 36.4370 36.4370 38.9134 38.9134 3967 39.6823 39.6823 41.8724 41.8724 3968 3969 k = 0.0442 0.0766 0.0962 band energies (ev): 3970 3971 -114.1638-114.1638 -68.8280 -68.8280 -68.8178 -68.8178 -68.8172 -68.8172 3972 -8.6841 -8.6841 2.3867 2.3867 2.8974 2.8974 3.0246 3.0246 3973 3.9991 3.9991 4.0248 4.0248 5.9313 5.9313 7.2103 7.2103 3974 7.4411 7.4411 13.2653 13.2653 17.8814 17.8814 19.7131 19.7131 3975 21.7211 21.7211 26.0263 26.0263 27.8010 27.8010 31.5754 31.5754 3976 33.2164 33.2164 34.0074 34.0074 36.4071 36.4071 38.8729 38.8729 3977 39.6371 39.6371 41.6721 41.6721 3978 3979 k = 0.0424 0.0735 0.0962 band energies (ev): 3980 3981 -114.1638-114.1638 -68.8280 -68.8280 -68.8177 -68.8177 -68.8171 -68.8171 3982 -8.6992 -8.6992 2.3902 2.3902 2.8896 2.8896 3.0091 3.0091 3983 3.9980 3.9980 4.0214 4.0214 5.9719 5.9719 7.2373 7.2373 3984 7.4879 7.4879 13.1858 13.1858 17.9333 17.9333 19.7685 19.7685 3985 21.7095 21.7095 26.0720 26.0720 27.8104 27.8104 31.5266 31.5266 3986 32.9430 32.9430 33.9931 33.9931 36.3750 36.3750 38.8266 38.8266 3987 39.5970 39.5970 41.4831 41.4831 3988 3989 k = 0.0407 0.0704 0.0962 band energies (ev): 3990 3991 -114.1638-114.1638 -68.8280 -68.8280 -68.8177 -68.8177 -68.8171 -68.8171 3992 -8.7142 -8.7142 2.3944 2.3944 2.8820 2.8820 2.9935 2.9935 3993 3.9970 3.9970 4.0184 4.0184 6.0094 6.0094 7.2661 7.2661 3994 7.5347 7.5347 13.1069 13.1069 17.9844 17.9844 19.8242 19.8242 3995 21.6994 21.6994 26.1178 26.1178 27.8277 27.8277 31.4675 31.4675 3996 32.6768 32.6768 33.9801 33.9801 36.3361 36.3361 38.7751 38.7751 3997 39.5622 39.5622 41.3070 41.3070 3998 3999 k = 0.0389 0.0674 0.0962 band energies (ev): 4000 4001 -114.1638-114.1638 -68.8280 -68.8280 -68.8176 -68.8176 -68.8171 -68.8171 4002 -8.7290 -8.7290 2.3994 2.3994 2.8745 2.8745 2.9778 2.9778 4003 3.9963 3.9963 4.0158 4.0158 6.0437 6.0437 7.2972 7.2972 4004 7.5809 7.5809 13.0287 13.0287 18.0340 18.0340 19.8810 19.8810 4005 21.6902 21.6902 26.1641 26.1641 27.8523 27.8523 31.3907 31.3907 4006 32.4314 32.4314 33.9652 33.9652 36.2868 36.2868 38.7190 38.7190 4007 39.5330 39.5330 41.1449 41.1449 4008 4009 k = 0.0371 0.0643 0.0962 band energies (ev): 4010 4011 -114.1638-114.1638 -68.8280 -68.8280 -68.8176 -68.8176 -68.8171 -68.8171 4012 -8.7436 -8.7436 2.4050 2.4050 2.8672 2.8672 2.9621 2.9621 4013 3.9957 3.9957 4.0134 4.0134 6.0747 6.0747 7.3311 7.3311 4014 7.6259 7.6259 12.9513 12.9513 18.0816 18.0816 19.9399 19.9399 4015 21.6813 21.6813 26.2112 26.2112 27.8834 27.8834 31.2851 31.2851 4016 32.2214 32.2214 33.9474 33.9474 36.2243 36.2243 38.6585 38.6585 4017 39.5100 39.5100 40.9976 40.9976 4018 4019 k = 0.0354 0.0613 0.0962 band energies (ev): 4020 4021 -114.1638-114.1638 -68.8280 -68.8280 -68.8175 -68.8175 -68.8170 -68.8170 4022 -8.7579 -8.7579 2.4111 2.4111 2.8601 2.8601 2.9466 2.9466 4023 3.9954 3.9954 4.0113 4.0113 6.1022 6.1022 7.3680 7.3680 4024 7.6695 7.6695 12.8747 12.8747 18.1267 18.1267 20.0017 20.0017 4025 21.6723 21.6723 26.2592 26.2592 27.9202 27.9202 31.1401 31.1401 4026 32.0598 32.0598 33.9263 33.9263 36.1466 36.1466 38.5930 38.5930 4027 39.4938 39.4938 40.8658 40.8658 4028 4029 k = 0.0336 0.0582 0.0962 band energies (ev): 4030 4031 -114.1638-114.1638 -68.8280 -68.8280 -68.8174 -68.8174 -68.8170 -68.8170 4032 -8.7718 -8.7718 2.4178 2.4178 2.8532 2.8532 2.9312 2.9312 4033 3.9952 3.9952 4.0094 4.0094 6.1263 6.1263 7.4078 7.4078 4034 7.7113 7.7113 12.7992 12.7992 18.1688 18.1688 20.0670 20.0670 4035 21.6628 21.6628 26.3082 26.3082 27.9617 27.9617 30.9546 30.9546 4036 31.9498 31.9498 33.9022 33.9022 36.0532 36.0532 38.5215 38.5215 4037 39.4857 39.4857 40.7495 40.7495 4038 4039 k = 0.0318 0.0551 0.0962 band energies (ev): 4040 4041 -114.1638-114.1638 -68.8280 -68.8280 -68.8174 -68.8174 -68.8170 -68.8170 4042 -8.7853 -8.7853 2.4248 2.4248 2.8464 2.8464 2.9162 2.9162 4043 3.9951 3.9951 4.0078 4.0078 6.1471 6.1471 7.4503 7.4503 4044 7.7513 7.7513 12.7248 12.7248 18.2076 18.2076 20.1365 20.1365 4045 21.6526 21.6526 26.3580 26.3580 28.0071 28.0071 30.7393 30.7393 4046 31.8829 31.8829 33.8751 33.8751 35.9441 35.9441 38.4429 38.4429 4047 39.4865 39.4865 40.6486 40.6486 4048 4049 k = 0.0301 0.0521 0.0962 band energies (ev): 4050 4051 -114.1638-114.1638 -68.8280 -68.8280 -68.8173 -68.8173 -68.8170 -68.8170 4052 -8.7984 -8.7984 2.4322 2.4322 2.8398 2.8398 2.9016 2.9016 4053 3.9951 3.9951 4.0064 4.0064 6.1648 6.1648 7.4953 7.4953 4054 7.7894 7.7894 12.6517 12.6517 18.2428 18.2428 20.2105 20.2105 4055 21.6415 21.6415 26.4081 26.4081 28.0550 28.0550 30.5080 30.5080 4056 31.8471 31.8471 33.8455 33.8455 35.8206 35.8206 38.3559 38.3559 4057 39.4973 39.4973 40.5625 40.5625 4058 4059 k = 0.0283 0.0490 0.0962 band energies (ev): 4060 4061 -114.1638-114.1638 -68.8280 -68.8280 -68.8173 -68.8173 -68.8170 -68.8170 4062 -8.8110 -8.8110 2.4398 2.4398 2.8334 2.8334 2.8874 2.8874 4063 3.9953 3.9953 4.0051 4.0051 6.1797 6.1797 7.5422 7.5422 4064 7.8253 7.8253 12.5800 12.5800 18.2743 18.2743 20.2891 20.2891 4065 21.6295 21.6295 26.4579 26.4579 28.1047 28.1047 30.2714 30.2714 4066 31.8335 31.8335 33.8135 33.8135 35.6843 35.6843 38.2603 38.2603 4067 39.5181 39.5181 40.4900 40.4900 4068 4069 k = 0.0265 0.0459 0.0962 band energies (ev): 4070 4071 -114.1638-114.1638 -68.8280 -68.8280 -68.8172 -68.8172 -68.8169 -68.8169 4072 -8.8230 -8.8230 2.4476 2.4476 2.8271 2.8271 2.8737 2.8737 4073 3.9955 3.9955 4.0041 4.0041 6.1920 6.1920 7.5907 7.5907 4074 7.8592 7.8592 12.5101 12.5101 18.3020 18.3020 20.3723 20.3723 4075 21.6165 21.6165 26.5064 26.5064 28.1550 28.1550 30.0372 30.0372 4076 31.8366 31.8366 33.7795 33.7795 35.5374 35.5374 38.1567 38.1567 4077 39.5486 39.5486 40.4297 40.4297 4078 4079 k = 0.0248 0.0429 0.0962 band energies (ev): 4080 4081 -114.1638-114.1638 -68.8280 -68.8280 -68.8172 -68.8172 -68.8169 -68.8169 4082 -8.8345 -8.8345 2.4555 2.4555 2.8210 2.8210 2.8607 2.8607 4083 3.9958 3.9958 4.0031 4.0031 6.2019 6.2019 7.6401 7.6401 4084 7.8909 7.8909 12.4422 12.4422 18.3261 18.3261 20.4596 20.4596 4085 21.6028 21.6028 26.5523 26.5523 28.2049 28.2049 29.8105 29.8105 4086 31.8535 31.8535 33.7436 33.7436 35.3818 35.3818 38.0464 38.0464 4087 39.5877 39.5877 40.3801 40.3801 4088 4089 k = 0.0230 0.0398 0.0962 band energies (ev): 4090 4091 -114.1638-114.1638 -68.8280 -68.8280 -68.8171 -68.8171 -68.8169 -68.8169 4092 -8.8454 -8.8454 2.4634 2.4634 2.8152 2.8152 2.8483 2.8483 4093 3.9962 3.9962 4.0024 4.0024 6.2099 6.2099 7.6899 7.6899 4094 7.9204 7.9204 12.3765 12.3765 18.3466 18.3466 20.5505 20.5505 4095 21.5884 21.5884 26.5939 26.5939 28.2537 28.2537 29.5953 29.5953 4096 31.8823 31.8823 33.7063 33.7063 35.2199 35.2199 37.9314 37.9314 4097 39.6339 39.6339 40.3395 40.3395 4098 4099 k = 0.0212 0.0368 0.0962 band energies (ev): 4100 4101 -114.1638-114.1638 -68.8280 -68.8280 -68.8171 -68.8171 -68.8169 -68.8169 4102 -8.8556 -8.8556 2.4712 2.4712 2.8095 2.8095 2.8367 2.8367 4103 3.9965 3.9965 4.0017 4.0017 6.2161 6.2161 7.7395 7.7395 4104 7.9477 7.9477 12.3134 12.3134 18.3639 18.3639 20.6442 20.6442 4105 21.5736 21.5736 26.6293 26.6293 28.3004 28.3004 29.3953 29.3953 4106 31.9219 31.9219 33.6676 33.6676 35.0536 35.0536 37.8139 37.8139 4107 39.6857 39.6857 40.3064 40.3064 4108 4109 k = 0.0195 0.0337 0.0962 band energies (ev): 4110 4111 -114.1638-114.1638 -68.8280 -68.8280 -68.8171 -68.8171 -68.8169 -68.8169 4112 -8.8651 -8.8651 2.4787 2.4787 2.8041 2.8041 2.8258 2.8258 4113 3.9969 3.9969 4.0012 4.0012 6.2208 6.2208 7.7883 7.7883 4114 7.9728 7.9728 12.2532 12.2532 18.3783 18.3783 20.7397 20.7397 4115 21.5587 21.5587 26.6564 26.6564 28.3443 28.3443 29.2135 29.2135 4116 31.9719 31.9719 33.6282 33.6282 34.8846 34.8846 37.6963 37.6963 4117 39.7414 39.7414 40.2797 40.2797 4118 4119 k = 0.0177 0.0306 0.0962 band energies (ev): 4120 4121 -114.1638-114.1638 -68.8280 -68.8280 -68.8170 -68.8170 -68.8169 -68.8169 4122 -8.8739 -8.8739 2.4861 2.4861 2.7989 2.7989 2.8159 2.8159 4123 3.9973 3.9973 4.0007 4.0007 6.2243 6.2243 7.8357 7.8357 4124 7.9956 7.9956 12.1963 12.1963 18.3900 18.3900 20.8357 20.8357 4125 21.5440 21.5440 26.6731 26.6731 28.3848 28.3848 29.0529 29.0529 4126 32.0315 32.0315 33.5882 33.5882 34.7146 34.7146 37.5808 37.5808 4127 39.7992 39.7992 40.2581 40.2581 4128 4129 k = 0.0159 0.0276 0.0962 band energies (ev): 4130 4131 -114.1638-114.1638 -68.8280 -68.8280 -68.8170 -68.8170 -68.8169 -68.8169 4132 -8.8820 -8.8820 2.4930 2.4930 2.7939 2.7939 2.8068 2.8068 4133 3.9977 3.9977 4.0004 4.0004 6.2269 6.2269 7.8809 7.8809 4134 8.0162 8.0162 12.1430 12.1430 18.3994 18.3994 20.9310 20.9310 4135 21.5296 21.5296 26.6779 26.6779 28.4214 28.4214 28.9157 28.9157 4136 32.1003 32.1003 33.5483 33.5483 34.5449 34.5449 37.4697 37.4697 4137 39.8577 39.8577 40.2406 40.2406 4138 4139 k = 0.0141 0.0245 0.0962 band energies (ev): 4140 4141 -114.1638-114.1638 -68.8280 -68.8280 -68.8169 -68.8169 -68.8169 -68.8169 4142 -8.8893 -8.8893 2.4995 2.4995 2.7893 2.7893 2.7986 2.7986 4143 3.9980 3.9980 4.0001 4.0001 6.2286 6.2286 7.9235 7.9235 4144 8.0347 8.0347 12.0938 12.0938 18.4069 18.4069 21.0237 21.0237 4145 21.5159 21.5159 26.6699 26.6699 28.4537 28.4537 28.8033 28.8033 4146 32.1778 32.1778 33.5091 33.5091 34.3767 34.3767 37.3648 37.3648 4147 39.9152 39.9152 40.2266 40.2266 4148 4149 k = 0.0124 0.0214 0.0962 band energies (ev): 4150 4151 -114.1638-114.1638 -68.8280 -68.8280 -68.8169 -68.8169 -68.8168 -68.8168 4152 -8.8958 -8.8958 2.5055 2.5055 2.7850 2.7850 2.7915 2.7915 4153 3.9984 3.9984 3.9999 3.9999 6.2298 6.2298 7.9628 7.9628 4154 8.0509 8.0509 12.0491 12.0491 18.4128 18.4128 21.1123 21.1123 4155 21.5032 21.5032 26.6499 26.6499 28.4814 28.4814 28.7156 28.7156 4156 32.2634 32.2634 33.4713 33.4713 34.2111 34.2111 37.2681 37.2681 4157 39.9705 39.9705 40.2154 40.2154 4158 4159 k = 0.0106 0.0184 0.0962 band energies (ev): 4160 4161 -114.1638-114.1638 -68.8280 -68.8280 -68.8169 -68.8169 -68.8168 -68.8168 4162 -8.9015 -8.9015 2.5109 2.5109 2.7811 2.7811 2.7853 2.7853 4163 3.9986 3.9986 3.9998 3.9998 6.2305 6.2305 7.9983 7.9983 4164 8.0649 8.0649 12.0093 12.0093 18.4172 18.4172 21.1948 21.1948 4165 21.4916 21.4916 26.6199 26.6199 28.5044 28.5044 28.6511 28.6511 4166 32.3563 32.3563 33.4357 33.4357 34.0492 34.0492 37.1811 37.1811 4167 40.0220 40.0220 40.2065 40.2065 4168 4169 k = 0.0088 0.0153 0.0962 band energies (ev): 4170 4171 -114.1638-114.1638 -68.8280 -68.8280 -68.8169 -68.8169 -68.8168 -68.8168 4172 -8.9063 -8.9063 2.5156 2.5156 2.7776 2.7776 2.7801 2.7801 4173 3.9989 3.9989 3.9997 3.9997 6.2308 6.2308 8.0293 8.0293 4174 8.0768 8.0768 11.9748 11.9748 18.4206 18.4206 21.2693 21.2693 4175 21.4815 21.4815 26.5837 26.5837 28.5226 28.5226 28.6069 28.6069 4176 32.4556 32.4556 33.4034 33.4034 33.8918 33.8918 37.1051 37.1051 4177 40.0685 40.0685 40.1995 40.1995 4178 4179 k = 0.0071 0.0123 0.0962 band energies (ev): 4180 4181 -114.1638-114.1638 -68.8280 -68.8280 -68.8168 -68.8168 -68.8168 -68.8168 4182 -8.9103 -8.9103 2.5196 2.5196 2.7746 2.7746 2.7759 2.7759 4183 3.9991 3.9991 3.9996 3.9996 6.2310 6.2310 8.0554 8.0554 4184 8.0864 8.0864 11.9459 11.9459 18.4230 18.4230 21.3337 21.3337 4185 21.4729 21.4729 26.5455 26.5455 28.5361 28.5361 28.5791 28.5791 4186 32.5599 32.5599 33.3751 33.3751 33.7404 33.7404 37.0414 37.0414 4187 40.1087 40.1087 40.1942 40.1942 4188 4189 k = 0.0053 0.0092 0.0962 band energies (ev): 4190 4191 -114.1638-114.1638 -68.8280 -68.8280 -68.8168 -68.8168 -68.8168 -68.8168 4192 -8.9134 -8.9134 2.5228 2.5228 2.7721 2.7721 2.7727 2.7727 4193 3.9993 3.9993 3.9996 3.9996 6.2310 6.2310 8.0762 8.0762 4194 8.0939 8.0939 11.9231 11.9231 18.4248 18.4248 21.3862 21.3862 4195 21.4661 21.4661 26.5101 26.5101 28.5452 28.5452 28.5635 28.5635 4196 32.6667 32.6667 33.3519 33.3519 33.5973 33.5973 36.9908 36.9908 4197 40.1414 40.1414 40.1902 40.1902 4198 4199 k = 0.0035 0.0061 0.0962 band energies (ev): 4200 4201 -114.1638-114.1638 -68.8280 -68.8280 -68.8168 -68.8168 -68.8168 -68.8168 4202 -8.9156 -8.9156 2.5250 2.5250 2.7703 2.7703 2.7704 2.7704 4203 3.9994 3.9994 3.9995 3.9995 6.2310 6.2310 8.0913 8.0913 4204 8.0993 8.0993 11.9066 11.9066 18.4259 18.4259 21.4251 21.4251 4205 21.4611 21.4611 26.4815 26.4815 28.5505 28.5505 28.5562 28.5562 4206 32.7707 32.7707 33.3347 33.3347 33.4676 33.4676 36.9542 36.9542 4207 40.1656 40.1656 40.1875 40.1875 4208 4209 k = 0.0018 0.0031 0.0962 band energies (ev): 4210 4211 -114.1638-114.1638 -68.8280 -68.8280 -68.8168 -68.8168 -68.8168 -68.8168 4212 -8.9169 -8.9169 2.5264 2.5264 2.7691 2.7691 2.7691 2.7691 4213 3.9995 3.9995 3.9995 3.9995 6.2309 6.2309 8.1005 8.1005 4214 8.1025 8.1025 11.8966 11.8966 18.4265 18.4265 21.4490 21.4490 4215 21.4581 21.4581 26.4630 26.4630 28.5529 28.5529 28.5537 28.5537 4216 32.8586 32.8586 33.3240 33.3240 33.3644 33.3644 36.9320 36.9320 4217 40.1804 40.1804 40.1860 40.1860 4218 4219 k = 0.0000 0.0000 0.0962 band energies (ev): 4220 4221 -114.1638-114.1638 -68.8280 -68.8280 -68.8168 -68.8168 -68.8168 -68.8168 4222 -8.9174 -8.9174 2.5269 2.5269 2.7687 2.7687 2.7687 2.7687 4223 3.9995 3.9995 3.9995 3.9995 6.2309 6.2309 8.1036 8.1036 4224 8.1036 8.1036 11.8933 11.8933 18.4268 18.4268 21.4571 21.4571 4225 21.4571 21.4571 26.4566 26.4566 28.5534 28.5534 28.5534 28.5534 4226 32.8974 32.8974 33.3204 33.3204 33.3204 33.3204 36.9246 36.9246 4227 40.1855 40.1855 40.1855 40.1855 4228 4229 k = 0.0031 0.0018 0.0962 band energies (ev): 4230 4231 -114.1638-114.1638 -68.8280 -68.8280 -68.8168 -68.8168 -68.8168 -68.8168 4232 -8.9169 -8.9169 2.5264 2.5264 2.7691 2.7691 2.7691 2.7691 4233 3.9995 3.9995 3.9995 3.9995 6.2309 6.2309 8.1005 8.1005 4234 8.1025 8.1025 11.8966 11.8966 18.4265 18.4265 21.4489 21.4489 4235 21.4581 21.4581 26.4630 26.4630 28.5530 28.5530 28.5536 28.5536 4236 32.8582 32.8582 33.3241 33.3241 33.3647 33.3647 36.9321 36.9321 4237 40.1804 40.1804 40.1860 40.1860 4238 4239 k = 0.0062 0.0036 0.0962 band energies (ev): 4240 4241 -114.1638-114.1638 -68.8280 -68.8280 -68.8168 -68.8168 -68.8168 -68.8168 4242 -8.9156 -8.9156 2.5250 2.5250 2.7703 2.7703 2.7704 2.7704 4243 3.9994 3.9994 3.9995 3.9995 6.2310 6.2310 8.0912 8.0912 4244 8.0993 8.0993 11.9067 11.9067 18.4259 18.4259 21.4248 21.4248 4245 21.4611 21.4611 26.4817 26.4817 28.5525 28.5525 28.5541 28.5541 4246 32.7698 32.7698 33.3350 33.3350 33.4685 33.4685 36.9545 36.9545 4247 40.1654 40.1654 40.1875 40.1875 4248 4249 k = 0.0092 0.0053 0.0962 band energies (ev): 4250 4251 -114.1638-114.1638 -68.8280 -68.8280 -68.8168 -68.8168 -68.8168 -68.8168 4252 -8.9133 -8.9133 2.5227 2.5227 2.7723 2.7723 2.7725 2.7725 4253 3.9993 3.9993 3.9995 3.9995 6.2310 6.2310 8.0759 8.0759 4254 8.0939 8.0939 11.9234 11.9234 18.4248 18.4248 21.3855 21.3855 4255 21.4662 21.4662 26.5105 26.5105 28.5535 28.5535 28.5552 28.5552 4256 32.6650 32.6650 33.3530 33.3530 33.5987 33.5987 36.9914 36.9914 4257 40.1411 40.1411 40.1902 40.1902 4258 4259 k = 0.0123 0.0071 0.0962 band energies (ev): 4260 4261 -114.1638-114.1638 -68.8280 -68.8280 -68.8168 -68.8168 -68.8168 -68.8168 4262 -8.9102 -8.9102 2.5195 2.5195 2.7751 2.7751 2.7754 2.7754 4263 3.9991 3.9991 3.9996 3.9996 6.2310 6.2310 8.0549 8.0549 4264 8.0864 8.0864 11.9464 11.9464 18.4230 18.4230 21.3325 21.3325 4265 21.4732 21.4732 26.5460 26.5460 28.5569 28.5569 28.5587 28.5587 4266 32.5571 32.5571 33.3781 33.3781 33.7415 33.7415 37.0424 37.0424 4267 40.1084 40.1084 40.1939 40.1939 4268 4269 k = 0.0154 0.0089 0.0962 band energies (ev): 4270 4271 -114.1638-114.1638 -68.8280 -68.8280 -68.8169 -68.8169 -68.8168 -68.8168 4272 -8.9062 -8.9062 2.5155 2.5155 2.7787 2.7787 2.7791 2.7791 4273 3.9989 3.9989 3.9997 3.9997 6.2308 6.2308 8.0283 8.0283 4274 8.0768 8.0768 11.9755 11.9755 18.4205 18.4205 21.2673 21.2673 4275 21.4822 21.4822 26.5836 26.5836 28.5593 28.5593 28.5716 28.5716 4276 32.4509 32.4509 33.4100 33.4100 33.8918 33.8918 37.1066 37.1066 4277 40.0686 40.0686 40.1986 40.1986 4278 4279 k = 0.0185 0.0107 0.0962 band energies (ev): 4280 4281 -114.1638-114.1638 -68.8280 -68.8280 -68.8169 -68.8169 -68.8168 -68.8168 4282 -8.9013 -8.9013 2.5108 2.5108 2.7831 2.7831 2.7835 2.7835 4283 3.9987 3.9987 3.9998 3.9998 6.2304 6.2304 7.9968 7.9968 4284 8.0651 8.0651 12.0103 12.0103 18.4171 18.4171 21.1919 21.1919 4285 21.4929 21.4929 26.6180 26.6180 28.5626 28.5626 28.5966 28.5966 4286 32.3485 32.3485 33.4485 33.4485 34.0469 34.0469 37.1831 37.1831 4287 40.0230 40.0230 40.2045 40.2045 4288 4289 k = 0.0215 0.0124 0.0962 band energies (ev): 4290 4291 -114.1638-114.1638 -68.8280 -68.8280 -68.8169 -68.8169 -68.8168 -68.8168 4292 -8.8956 -8.8956 2.5053 2.5053 2.7883 2.7883 2.7886 2.7886 4293 3.9984 3.9984 3.9999 3.9999 6.2297 6.2297 7.9606 7.9606 4294 8.0515 8.0515 12.0504 12.0504 18.4125 18.4125 21.1084 21.1084 4295 21.5054 21.5054 26.6437 26.6437 28.5671 28.5671 28.6383 28.6383 4296 32.2508 32.2508 33.4932 33.4932 34.2053 34.2053 37.2703 37.2703 4297 39.9733 39.9733 40.2116 40.2116 4298 4299 k = 0.0246 0.0142 0.0962 band energies (ev): 4300 4301 -114.1638-114.1638 -68.8280 -68.8280 -68.8169 -68.8169 -68.8169 -68.8169 4302 -8.8890 -8.8890 2.4992 2.4992 2.7941 2.7941 2.7943 2.7943 4303 3.9981 3.9981 4.0000 4.0000 6.2285 6.2285 7.9204 7.9204 4304 8.0358 8.0358 12.0954 12.0954 18.4065 18.4065 21.0187 21.0187 4305 21.5195 21.5195 26.6559 26.6559 28.5731 28.5731 28.7005 28.7005 4306 32.1584 32.1584 33.5439 33.5439 34.3660 34.3660 37.3668 37.3668 4307 39.9213 39.9213 40.2198 40.2198 4308 4309 k = 0.0277 0.0160 0.0962 band energies (ev): 4310 4311 -114.1638-114.1638 -68.8280 -68.8280 -68.8170 -68.8170 -68.8169 -68.8169 4312 -8.8817 -8.8817 2.4925 2.4925 2.8007 2.8007 2.8008 2.8008 4313 3.9978 3.9978 4.0002 4.0002 6.2267 6.2267 7.8766 7.8766 4314 8.0183 8.0183 12.1448 12.1448 18.3987 18.3987 20.9248 20.9248 4315 21.5350 21.5350 26.6510 26.6510 28.5807 28.5807 28.7858 28.7858 4316 32.0715 32.0715 33.6001 33.6001 34.5279 34.5279 37.4704 37.4704 4317 39.8693 39.8693 40.2293 40.2293 4318 4319 k = 0.0308 0.0178 0.0962 band energies (ev): 4320 4321 -114.1638-114.1638 -68.8280 -68.8280 -68.8170 -68.8170 -68.8169 -68.8169 4322 -8.8735 -8.8735 2.4853 2.4853 2.8077 2.8077 2.8081 2.8081 4323 3.9975 3.9975 4.0005 4.0005 6.2240 6.2240 7.8299 7.8299 4324 7.9989 7.9989 12.1982 12.1982 18.3887 18.3887 20.8285 20.8285 4325 21.5520 21.5520 26.6275 26.6275 28.5904 28.5904 28.8949 28.8949 4326 31.9906 31.9906 33.6614 33.6614 34.6905 34.6905 37.5786 37.5786 4327 39.8196 39.8196 40.2400 40.2400 4328 4329 k = 0.0338 0.0195 0.0962 band energies (ev): 4330 4331 -114.1638-114.1638 -68.8280 -68.8280 -68.8171 -68.8171 -68.8169 -68.8169 4332 -8.8647 -8.8647 2.4777 2.4777 2.8153 2.8153 2.8161 2.8161 4333 3.9973 3.9973 4.0008 4.0008 6.2203 6.2203 7.7808 7.7808 4334 7.9778 7.9778 12.2551 12.2551 18.3762 18.3762 20.7317 20.7317 4335 21.5701 21.5701 26.5859 26.5859 28.6023 28.6023 29.0265 29.0265 4336 31.9159 31.9159 33.7274 33.7274 34.8529 34.8529 37.6883 37.6883 4337 39.7752 39.7752 40.2521 40.2521 4338 4339 k = 0.0369 0.0213 0.0962 band energies (ev): 4340 4341 -114.1638-114.1638 -68.8280 -68.8280 -68.8171 -68.8171 -68.8169 -68.8169 4342 -8.8550 -8.8550 2.4697 2.4697 2.8234 2.8234 2.8247 2.8247 4343 3.9970 3.9970 4.0012 4.0012 6.2153 6.2153 7.7299 7.7299 4344 7.9550 7.9550 12.3151 12.3151 18.3608 18.3608 20.6358 20.6358 4345 21.5893 21.5893 26.5277 26.5277 28.6169 28.6169 29.1779 29.1779 4346 31.8480 31.8480 33.7976 33.7976 35.0144 35.0144 37.7958 37.7958 4347 39.7394 39.7394 40.2655 40.2655 4348 4349 k = 0.0400 0.0231 0.0962 band energies (ev): 4350 4351 -114.1638-114.1638 -68.8280 -68.8280 -68.8171 -68.8171 -68.8169 -68.8169 4352 -8.8448 -8.8448 2.4615 2.4615 2.8320 2.8320 2.8340 2.8340 4353 3.9968 3.9968 4.0017 4.0017 6.2086 6.2086 7.6780 7.6780 4354 7.9306 7.9306 12.3777 12.3777 18.3418 18.3418 20.5424 20.5424 4355 21.6094 21.6094 26.4555 26.4555 28.6343 28.6343 29.3454 29.3454 4356 31.7877 31.7877 33.8715 33.8715 35.1744 35.1744 37.8970 37.8970 4357 39.7162 39.7162 40.2804 40.2804 4358 4359 k = 0.0431 0.0249 0.0962 band energies (ev): 4360 4361 -114.1638-114.1638 -68.8280 -68.8280 -68.8172 -68.8172 -68.8169 -68.8169 4362 -8.8338 -8.8338 2.4530 2.4530 2.8411 2.8411 2.8439 2.8439 4363 3.9966 3.9966 4.0022 4.0022 6.2000 6.2000 7.6256 7.6256 4364 7.9047 7.9047 12.4425 12.4425 18.3190 18.3190 20.4528 20.4528 4365 21.6302 21.6302 26.3719 26.3719 28.6549 28.6549 29.5248 29.5248 4366 31.7364 31.7364 33.9486 33.9486 35.3319 35.3319 37.9875 37.9875 4367 39.7095 39.7095 40.2968 40.2968 4368 4369 k = 0.0462 0.0266 0.0962 band energies (ev): 4370 4371 -114.1638-114.1638 -68.8280 -68.8280 -68.8172 -68.8172 -68.8169 -68.8169 4372 -8.8222 -8.8222 2.4443 2.4443 2.8507 2.8507 2.8544 2.8544 4373 3.9965 3.9965 4.0029 4.0029 6.1891 6.1891 7.5734 7.5734 4374 7.8773 7.8773 12.5090 12.5090 18.2920 18.2920 20.3680 20.3680 4375 21.6515 21.6515 26.2795 26.2795 28.6790 28.6790 29.7110 29.7110 4376 31.6960 31.6960 34.0282 34.0282 35.4861 35.4861 38.0636 38.0636 4377 39.7232 39.7232 40.3147 40.3147 4378 4379 k = 0.0492 0.0284 0.0962 band energies (ev): 4380 4381 -114.1638-114.1638 -68.8280 -68.8280 -68.8173 -68.8173 -68.8169 -68.8169 4382 -8.8101 -8.8101 2.4355 2.4355 2.8607 2.8607 2.8653 2.8653 4383 3.9965 3.9965 4.0037 4.0037 6.1756 6.1756 7.5221 7.5221 4384 7.8487 7.8487 12.5770 12.5770 18.2603 18.2603 20.2890 20.2890 4385 21.6733 21.6733 26.1805 26.1805 28.7069 28.7069 29.8983 29.8983 4386 31.6696 31.6696 34.1099 34.1099 35.6357 35.6357 38.1230 38.1230 4387 39.7596 39.7596 40.3343 40.3343 4388 4389 k = 0.0523 0.0302 0.0962 band energies (ev): 4390 4391 -114.1638-114.1638 -68.8280 -68.8280 -68.8174 -68.8174 -68.8170 -68.8170 4392 -8.7974 -8.7974 2.4267 2.4267 2.8712 2.8712 2.8768 2.8768 4393 3.9965 3.9965 4.0046 4.0046 6.1590 6.1590 7.4723 7.4723 4394 7.8188 7.8188 12.6461 12.6461 18.2237 18.2237 20.2164 20.2164 4395 21.6953 21.6953 26.0770 26.0770 28.7388 28.7388 30.0796 30.0796 4396 31.6620 31.6620 34.1930 34.1930 35.7794 35.7794 38.1657 38.1657 4397 39.8190 39.8190 40.3555 40.3555 4398 4399 k = 0.0554 0.0320 0.0962 band energies (ev): 4400 4401 -114.1638-114.1638 -68.8280 -68.8280 -68.8174 -68.8174 -68.8170 -68.8170 4402 -8.7843 -8.7843 2.4179 2.4179 2.8821 2.8821 2.8887 2.8887 4403 3.9967 3.9967 4.0056 4.0056 6.1391 6.1391 7.4246 7.4246 4404 7.7879 7.7879 12.7158 12.7158 18.1823 18.1823 20.1507 20.1507 4405 21.7173 21.7173 25.9707 25.9707 28.7748 28.7748 30.2462 30.2462 4406 31.6796 31.6796 34.2769 34.2769 35.9156 35.9156 38.1947 38.1947 4407 39.8992 39.8992 40.3785 40.3785 4408 4409 k = 0.0585 0.0338 0.0962 band energies (ev): 4410 4411 -114.1638-114.1638 -68.8280 -68.8280 -68.8175 -68.8175 -68.8170 -68.8170 4412 -8.7707 -8.7707 2.4092 2.4092 2.8934 2.8934 2.9010 2.9010 4413 3.9970 3.9970 4.0068 4.0068 6.1153 6.1153 7.3796 7.3796 4414 7.7559 7.7559 12.7860 12.7860 18.1361 18.1361 20.0921 20.0921 4415 21.7392 21.7392 25.8631 25.8631 28.8153 28.8153 30.3884 30.3884 4416 31.7300 31.7300 34.3610 34.3610 36.0424 36.0424 38.2148 38.2148 4417 39.9967 39.9967 40.4032 40.4032 4418 4419 k = 0.0615 0.0355 0.0962 band energies (ev): 4420 4421 -114.1638-114.1638 -68.8280 -68.8280 -68.8175 -68.8175 -68.8170 -68.8170 4422 -8.7568 -8.7568 2.4006 2.4006 2.9051 2.9051 2.9137 2.9137 4423 3.9974 3.9974 4.0081 4.0081 6.0875 6.0875 7.3378 7.3378 4424 7.7231 7.7231 12.8562 12.8562 18.0853 18.0853 20.0406 20.0406 4425 21.7609 21.7609 25.7555 25.7555 28.8604 28.8604 30.4981 30.4981 4426 31.8196 31.8196 34.4445 34.4445 36.1577 36.1577 38.2320 38.2320 4427 40.1070 40.1070 40.4296 40.4296 4428 4429 k = 0.0646 0.0373 0.0962 band energies (ev): 4430 4431 -114.1638-114.1638 -68.8280 -68.8280 -68.8176 -68.8176 -68.8170 -68.8170 4432 -8.7425 -8.7425 2.3922 2.3922 2.9173 2.9173 2.9266 2.9266 4433 3.9980 3.9980 4.0096 4.0096 6.0555 6.0555 7.2996 7.2996 4434 7.6895 7.6895 12.9262 12.9262 18.0303 18.0303 19.9958 19.9958 4435 21.7822 21.7822 25.6491 25.6491 28.9102 28.9102 30.5723 30.5723 4436 31.9490 31.9490 34.5269 34.5269 36.2595 36.2595 38.2525 38.2525 4437 40.2262 40.2262 40.4577 40.4577 4438 4439 k = 0.0677 0.0391 0.0962 band energies (ev): 4440 4441 -114.1638-114.1638 -68.8280 -68.8280 -68.8177 -68.8177 -68.8170 -68.8170 4442 -8.7279 -8.7279 2.3840 2.3840 2.9298 2.9298 2.9398 2.9398 4443 3.9988 3.9988 4.0113 4.0113 6.0191 6.0191 7.2653 7.2653 4444 7.6552 7.6552 12.9957 12.9957 17.9718 17.9718 19.9574 19.9574 4445 21.8030 21.8030 25.5447 25.5447 28.9648 28.9648 30.6148 30.6148 4446 32.1128 32.1128 34.6075 34.6075 36.3465 36.3465 38.2815 38.2815 4447 40.3509 40.3509 40.4875 40.4875 4448 4449 k = 0.0708 0.0409 0.0962 band energies (ev): 4450 4451 -114.1638-114.1638 -68.8280 -68.8280 -68.8177 -68.8177 -68.8171 -68.8171 4452 -8.7131 -8.7131 2.3761 2.3761 2.9426 2.9426 2.9532 2.9532 4453 3.9998 3.9998 4.0131 4.0131 5.9784 5.9784 7.2350 7.2350 4454 7.6205 7.6205 13.0645 13.0645 17.9103 17.9103 19.9247 19.9247 4455 21.8232 21.8232 25.4434 25.4434 29.0243 29.0243 30.6327 30.6327 4456 32.3014 32.3014 34.6855 34.6855 36.4180 36.4180 38.3230 38.3230 4457 40.4789 40.4789 40.5188 40.5188 4458 4459 k = 0.0738 0.0426 0.0962 band energies (ev): 4460 4461 -114.1638-114.1638 -68.8280 -68.8280 -68.8178 -68.8178 -68.8171 -68.8171 4462 -8.6981 -8.6981 2.3685 2.3685 2.9558 2.9558 2.9668 2.9668 4463 4.0009 4.0009 4.0152 4.0152 5.9335 5.9335 7.2087 7.2087 4464 7.5853 7.5853 13.1323 13.1323 17.8466 17.8466 19.8970 19.8970 4465 21.8426 21.8426 25.3457 25.3457 29.0887 29.0887 30.6334 30.6334 4466 32.5051 32.5051 34.7602 34.7602 36.4753 36.4753 38.3791 38.3791 4467 40.5515 40.5515 40.6087 40.6087 4468 4469 k = 0.0769 0.0444 0.0962 band energies (ev): 4470 4471 -114.1638-114.1638 -68.8280 -68.8280 -68.8179 -68.8179 -68.8171 -68.8171 4472 -8.6830 -8.6830 2.3613 2.3613 2.9693 2.9693 2.9804 2.9804 4473 4.0023 4.0023 4.0175 4.0175 5.8847 5.8847 7.1863 7.1863 4474 7.5499 7.5499 13.1990 13.1990 17.7813 17.7813 19.8736 19.8736 4475 21.8613 21.8613 25.2523 25.2523 29.1580 29.1580 30.6226 30.6226 4476 32.7153 32.7153 34.8310 34.8310 36.5210 36.5210 38.4502 38.4502 4477 40.5853 40.5853 40.7396 40.7396 4478 4479 k = 0.0800 0.0462 0.0962 band energies (ev): 4480 4481 -114.1638-114.1638 -68.8280 -68.8280 -68.8179 -68.8179 -68.8171 -68.8171 4482 -8.6679 -8.6679 2.3545 2.3545 2.9831 2.9831 2.9940 2.9940 4483 4.0039 4.0039 4.0200 4.0200 5.8324 5.8324 7.1677 7.1677 4484 7.5144 7.5144 13.2642 13.2642 17.7151 17.7151 19.8537 19.8537 4485 21.8790 21.8790 25.1639 25.1639 29.2321 29.2321 30.6042 30.6042 4486 32.9249 32.9249 34.8971 34.8971 36.5596 36.5596 38.5350 38.5350 4487 40.6198 40.6198 40.8718 40.8718 4488 4489 k = 0.0831 0.0480 0.0962 band energies (ev): 4490 4491 -114.1638-114.1638 -68.8280 -68.8280 -68.8180 -68.8180 -68.8171 -68.8171 4492 -8.6528 -8.6528 2.3481 2.3481 2.9973 2.9973 3.0076 3.0076 4493 4.0057 4.0057 4.0227 4.0227 5.7769 5.7769 7.1525 7.1525 4494 7.4788 7.4788 13.3279 13.3279 17.6488 17.6488 19.8367 19.8367 4495 21.8959 21.8959 25.0808 25.0808 29.3110 29.3110 30.5809 30.5809 4496 33.1277 33.1277 34.9580 34.9580 36.5967 36.5967 38.6313 38.6313 4497 40.6548 40.6548 41.0057 41.0057 4498 4499 k = 0.0862 0.0497 0.0962 band energies (ev): 4500 4501 -114.1637-114.1637 -68.8280 -68.8280 -68.8180 -68.8180 -68.8172 -68.8172 4502 -8.6377 -8.6377 2.3422 2.3422 3.0117 3.0117 3.0212 3.0212 4503 4.0078 4.0078 4.0257 4.0257 5.7187 5.7187 7.1404 7.1404 4504 7.4434 7.4434 13.3899 13.3899 17.5829 17.5829 19.8218 19.8218 4505 21.9117 21.9117 25.0034 25.0034 29.3944 29.3944 30.5544 30.5544 4506 33.3178 33.3178 35.0129 35.0129 36.6384 36.6384 38.7365 38.7365 4507 40.6896 40.6896 41.1421 41.1421 4508 4509 k = 0.0892 0.0515 0.0962 band energies (ev): 4510 4511 -114.1637-114.1637 -68.8280 -68.8280 -68.8181 -68.8181 -68.8172 -68.8172 4512 -8.6228 -8.6228 2.3367 2.3367 3.0263 3.0263 3.0345 3.0345 4513 4.0101 4.0101 4.0291 4.0291 5.6584 5.6584 7.1311 7.1311 4514 7.4082 7.4082 13.4499 13.4499 17.5179 17.5179 19.8085 19.8085 4515 21.9266 21.9266 24.9320 24.9320 29.4823 29.4823 30.5260 30.5260 4516 33.4901 33.4901 35.0613 35.0613 36.6909 36.6909 38.8478 38.8478 4517 40.7236 40.7236 41.2819 41.2819 4518 4519 k = 0.0923 0.0533 0.0962 band energies (ev): 4520 4521 -114.1637-114.1637 -68.8280 -68.8280 -68.8182 -68.8182 -68.8172 -68.8172 4522 -8.6081 -8.6081 2.3317 2.3317 3.0412 3.0412 3.0477 3.0477 4523 4.0126 4.0126 4.0327 4.0327 5.5963 5.5963 7.1243 7.1243 4524 7.3735 7.3735 13.5079 13.5079 17.4544 17.4544 19.7963 19.7963 4525 21.9404 21.9404 24.8669 24.8669 29.5742 29.5742 30.4964 30.4964 4526 33.6399 33.6399 35.1027 35.1027 36.7596 36.7596 38.9631 38.9631 4527 40.7560 40.7560 41.4263 41.4263 4528 4529 k = 0.0954 0.0551 0.0962 band energies (ev): 4530 4531 -114.1637-114.1637 -68.8280 -68.8280 -68.8182 -68.8182 -68.8172 -68.8172 4532 -8.5936 -8.5936 2.3272 2.3272 3.0562 3.0562 3.0606 3.0606 4533 4.0153 4.0153 4.0366 4.0366 5.5331 5.5331 7.1195 7.1195 4534 7.3392 7.3392 13.5637 13.5637 17.3927 17.3927 19.7846 19.7846 4535 21.9532 21.9532 24.8081 24.8081 29.6701 29.6701 30.4662 30.4662 4536 33.7638 33.7638 35.1366 35.1366 36.8486 36.8486 39.0804 39.0804 4537 40.7862 40.7862 41.5759 41.5759 4538 4539 k = 0.0985 0.0568 0.0962 band energies (ev): 4540 4541 -114.1637-114.1637 -68.8280 -68.8280 -68.8183 -68.8183 -68.8172 -68.8172 4542 -8.5795 -8.5795 2.3231 2.3231 3.0714 3.0714 3.0731 3.0731 4543 4.0182 4.0182 4.0409 4.0409 5.4691 5.4691 7.1164 7.1164 4544 7.3056 7.3056 13.6171 13.6171 17.3332 17.3332 19.7732 19.7732 4545 21.9650 21.9650 24.7557 24.7557 29.7694 29.7694 30.4358 30.4358 4546 33.8602 33.8602 35.1626 35.1626 36.9598 36.9598 39.1987 39.1987 4547 40.8133 40.8133 41.7316 41.7316 4548 4549 k = 0.1015 0.0586 0.0962 band energies (ev): 4550 4551 -114.1637-114.1637 -68.8280 -68.8280 -68.8184 -68.8184 -68.8172 -68.8172 4552 -8.5657 -8.5657 2.3196 2.3196 3.0853 3.0853 3.0867 3.0867 4553 4.0213 4.0213 4.0456 4.0456 5.4047 5.4047 7.1149 7.1149 4554 7.2729 7.2729 13.6681 13.6681 17.2761 17.2761 19.7617 19.7617 4555 21.9758 21.9758 24.7096 24.7096 29.8718 29.8718 30.4055 30.4055 4556 33.9293 33.9293 35.1805 35.1805 37.0928 37.0928 39.3175 39.3175 4557 40.8363 40.8363 41.8936 41.8936 4558 4559 k = 0.1046 0.0604 0.0962 band energies (ev): 4560 4561 -114.1637-114.1637 -68.8280 -68.8280 -68.8184 -68.8184 -68.8173 -68.8173 4562 -8.5523 -8.5523 2.3164 2.3164 3.0970 3.0970 3.1020 3.1020 4563 4.0246 4.0246 4.0507 4.0507 5.3404 5.3404 7.1145 7.1145 4564 7.2411 7.2411 13.7166 13.7166 17.2218 17.2218 19.7500 19.7500 4565 21.9856 21.9856 24.6697 24.6697 29.9767 29.9767 30.3756 30.3756 4566 33.9731 33.9731 35.1902 35.1902 37.2450 37.2450 39.4368 39.4368 4567 40.8547 40.8547 42.0620 42.0620 4568 4569 k = 0.1077 0.0622 0.0962 band energies (ev): 4570 4571 -114.1637-114.1637 -68.8280 -68.8280 -68.8185 -68.8185 -68.8173 -68.8173 4572 -8.5394 -8.5394 2.3138 2.3138 3.1083 3.1083 3.1173 3.1173 4573 4.0281 4.0281 4.0563 4.0563 5.2766 5.2766 7.1152 7.1152 4574 7.2103 7.2103 13.7624 13.7624 17.1704 17.1704 19.7380 19.7380 4575 21.9946 21.9946 24.6357 24.6357 30.0837 30.0837 30.3462 30.3462 4576 33.9949 33.9949 35.1916 35.1916 37.4120 37.4120 39.5574 39.5574 4577 40.8679 40.8679 42.2360 42.2360 4578 4579 k = 0.1108 0.0640 0.0962 band energies (ev): 4580 4581 -114.1637-114.1637 -68.8280 -68.8280 -68.8185 -68.8185 -68.8173 -68.8173 4582 -8.5271 -8.5271 2.3115 2.3115 3.1190 3.1190 3.1325 3.1325 4583 4.0316 4.0316 4.0623 4.0623 5.2137 5.2137 7.1166 7.1166 4584 7.1808 7.1808 13.8055 13.8055 17.1222 17.1222 19.7257 19.7257 4585 22.0026 22.0026 24.6074 24.6074 30.1921 30.1921 30.3174 30.3174 4586 33.9987 33.9987 35.1850 35.1850 37.5884 37.5884 39.6807 39.6807 4587 40.8754 40.8754 42.4148 42.4148 4588 4589 k = 0.1138 0.0657 0.0962 band energies (ev): 4590 4591 -114.1637-114.1637 -68.8280 -68.8280 -68.8186 -68.8186 -68.8173 -68.8173 4592 -8.5153 -8.5153 2.3097 2.3097 3.1291 3.1291 3.1475 3.1475 4593 4.0352 4.0352 4.0688 4.0688 5.1520 5.1520 7.1185 7.1185 4594 7.1526 7.1526 13.8458 13.8458 17.0771 17.0771 19.7131 19.7131 4595 22.0098 22.0098 24.5843 24.5843 30.2896 30.2896 30.3012 30.3012 4596 33.9884 33.9884 35.1708 35.1708 37.7681 37.7681 39.8086 39.8086 4597 40.8774 40.8774 42.5965 42.5965 4598 4599 k = 0.1169 0.0675 0.0962 band energies (ev): 4600 4601 -114.1637-114.1637 -68.8279 -68.8279 -68.8186 -68.8186 -68.8173 -68.8173 4602 -8.5042 -8.5042 2.3082 2.3082 3.1386 3.1386 3.1623 3.1623 4603 4.0388 4.0388 4.0759 4.0759 5.0918 5.0918 7.1209 7.1209 4604 7.1258 7.1258 13.8833 13.8833 17.0353 17.0353 19.7002 19.7002 4605 22.0162 22.0162 24.5660 24.5660 30.2627 30.2627 30.4102 30.4102 4606 33.9678 33.9678 35.1494 35.1494 37.9453 37.9453 39.9431 39.9431 4607 40.8742 40.8742 42.7788 42.7788 4608 4609 k = 0.1200 0.0693 0.0962 band energies (ev): 4610 4611 -114.1637-114.1637 -68.8279 -68.8279 -68.8186 -68.8186 -68.8173 -68.8173 4612 -8.4938 -8.4938 2.3070 2.3070 3.1475 3.1475 3.1767 3.1767 4613 4.0424 4.0424 4.0835 4.0835 5.0336 5.0336 7.1007 7.1007 4614 7.1236 7.1236 13.9179 13.9179 16.9968 16.9968 19.6873 19.6873 4615 22.0219 22.0219 24.5520 24.5520 30.2371 30.2371 30.5181 30.5181 4616 33.9400 33.9400 35.1216 35.1216 38.1146 38.1146 40.0861 40.0861 4617 40.8661 40.8661 42.9581 42.9581 4618 4619 k = 0.1231 0.0711 0.0962 band energies (ev): 4620 4621 -114.1637-114.1637 -68.8279 -68.8279 -68.8187 -68.8187 -68.8173 -68.8173 4622 -8.4841 -8.4841 2.3061 2.3061 3.1557 3.1557 3.1906 3.1906 4623 4.0459 4.0459 4.0917 4.0917 4.9777 4.9777 7.0773 7.0773 4624 7.1264 7.1264 13.9495 13.9495 16.9618 16.9618 19.6744 19.6744 4625 22.0269 22.0269 24.5418 24.5418 30.2128 30.2128 30.6238 30.6238 4626 33.9077 33.9077 35.0884 35.0884 38.2713 38.2713 40.2392 40.2392 4627 40.8543 40.8543 43.1297 43.1297 4628 4629 k = 0.1262 0.0728 0.0962 band energies (ev): 4630 4631 -114.1637-114.1637 -68.8279 -68.8279 -68.8187 -68.8187 -68.8173 -68.8173 4632 -8.4753 -8.4753 2.3054 2.3054 3.1631 3.1631 3.2038 3.2038 4633 4.0493 4.0493 4.1003 4.1003 4.9245 4.9245 7.0557 7.0557 4634 7.1292 7.1292 13.9782 13.9782 16.9302 16.9302 19.6619 19.6619 4635 22.0312 22.0312 24.5349 24.5349 30.1900 30.1900 30.7263 30.7263 4636 33.8733 33.8733 35.0509 35.0509 38.4120 38.4120 40.4027 40.4027 4637 40.8395 40.8395 43.2874 43.2874 4638 4639 k = 0.1292 0.0746 0.0962 band energies (ev): 4640 4641 -114.1637-114.1637 -68.8279 -68.8279 -68.8188 -68.8188 -68.8174 -68.8174 4642 -8.4672 -8.4672 2.3050 2.3050 3.1699 3.1699 3.2162 3.2162 4643 4.0526 4.0526 4.1094 4.1094 4.8745 4.8745 7.0361 7.0361 4644 7.1320 7.1320 14.0039 14.0039 16.9020 16.9020 19.6499 19.6499 4645 22.0349 22.0349 24.5306 24.5306 30.1689 30.1689 30.8243 30.8243 4646 33.8385 33.8385 35.0105 35.0105 38.5349 38.5349 40.5754 40.5754 4647 40.8229 40.8229 43.4230 43.4230 4648 4649 k = 0.1323 0.0764 0.0962 band energies (ev): 4650 4651 -114.1637-114.1637 -68.8279 -68.8279 -68.8188 -68.8188 -68.8174 -68.8174 4652 -8.4600 -8.4600 2.3047 2.3047 3.1758 3.1758 3.2277 3.2277 4653 4.0556 4.0556 4.1189 4.1189 4.8279 4.8279 7.0185 7.0185 4654 7.1346 7.1346 14.0266 14.0266 16.8772 16.8772 19.6386 19.6386 4655 22.0381 22.0381 24.5284 24.5284 30.1497 30.1497 30.9162 30.9162 4656 33.8049 33.8049 34.9688 34.9688 38.6393 38.6393 40.7546 40.7546 4657 40.8055 40.8055 43.5282 43.5282 4658 4659 k = 0.1354 0.0782 0.0962 band energies (ev): 4660 4661 -114.1637-114.1637 -68.8279 -68.8279 -68.8188 -68.8188 -68.8174 -68.8174 4662 -8.4537 -8.4537 2.3045 2.3045 3.1811 3.1811 3.2381 3.2381 4663 4.0583 4.0583 4.1284 4.1284 4.7855 4.7855 7.0030 7.0030 4664 7.1370 7.1370 14.0462 14.0462 16.8558 16.8558 19.6283 19.6283 4665 22.0408 22.0408 24.5277 24.5277 30.1326 30.1326 31.0006 31.0006 4666 33.7737 33.7737 34.9273 34.9273 38.7259 38.7259 40.7884 40.7884 4667 40.9360 40.9360 43.5962 43.5962 4668 4669 k = 0.1385 0.0799 0.0962 band energies (ev): 4670 4671 -114.1637-114.1637 -68.8279 -68.8279 -68.8188 -68.8188 -68.8174 -68.8174 4672 -8.4483 -8.4483 2.3045 2.3045 3.1855 3.1855 3.2472 3.2472 4673 4.0607 4.0607 4.1377 4.1377 4.7477 4.7477 6.9898 6.9898 4674 7.1391 7.1391 14.0629 14.0629 16.8377 16.8377 19.6192 19.6192 4675 22.0430 22.0430 24.5281 24.5281 30.1178 30.1178 31.0758 31.0758 4676 33.7458 33.7458 34.8879 34.8879 38.7957 38.7957 40.7724 40.7724 4677 41.1136 41.1136 43.6260 43.6260 4678 4679 k = 0.1415 0.0817 0.0962 band energies (ev): 4680 4681 -114.1637-114.1637 -68.8279 -68.8279 -68.8189 -68.8189 -68.8174 -68.8174 4682 -8.4439 -8.4439 2.3045 2.3045 3.1891 3.1891 3.2549 3.2549 4683 4.0627 4.0627 4.1465 4.1465 4.7153 4.7153 6.9789 6.9789 4684 7.1409 7.1409 14.0765 14.0765 16.8230 16.8230 19.6114 19.6114 4685 22.0447 22.0447 24.5291 24.5291 30.1054 30.1054 31.1403 31.1403 4686 33.7221 33.7221 34.8525 34.8525 38.8504 38.8504 40.7583 40.7583 4687 41.2802 41.2802 43.6236 43.6236 4688 4689 k = 0.1446 0.0835 0.0962 band energies (ev): 4690 4691 -114.1637-114.1637 -68.8279 -68.8279 -68.8189 -68.8189 -68.8174 -68.8174 4692 -8.4404 -8.4404 2.3045 2.3045 3.1920 3.1920 3.2611 3.2611 4693 4.0643 4.0643 4.1542 4.1542 4.6889 4.6889 6.9703 6.9703 4694 7.1424 7.1424 14.0871 14.0871 16.8116 16.8116 19.6052 19.6052 4695 22.0461 22.0461 24.5303 24.5303 30.0956 30.0956 31.1925 31.1925 4696 33.7030 33.7030 34.8227 34.8227 38.8913 38.8913 40.7468 40.7468 4697 41.4268 41.4268 43.6002 43.6002 4698 4699 k = 0.1477 0.0853 0.0962 band energies (ev): 4700 4701 -114.1637-114.1637 -68.8279 -68.8279 -68.8189 -68.8189 -68.8174 -68.8174 4702 -8.4379 -8.4379 2.3045 2.3045 3.1940 3.1940 3.2656 3.2656 4703 4.0655 4.0655 4.1603 4.1603 4.6694 4.6694 6.9642 6.9642 4704 7.1434 7.1434 14.0946 14.0946 16.8035 16.8035 19.6007 19.6007 4705 22.0470 22.0470 24.5314 24.5314 30.0885 30.0885 31.2308 31.2308 4706 33.6891 33.6891 34.8002 34.8002 38.9196 38.9196 40.7382 40.7382 4707 41.5434 41.5434 43.5694 43.5694 4708 4709 k = 0.1508 0.0870 0.0962 band energies (ev): 4710 4711 -114.1637-114.1637 -68.8279 -68.8279 -68.8189 -68.8189 -68.8174 -68.8174 4712 -8.4364 -8.4364 2.3046 2.3046 3.1952 3.1952 3.2683 3.2683 4713 4.0662 4.0662 4.1642 4.1642 4.6573 4.6573 6.9604 6.9604 4714 7.1441 7.1441 14.0992 14.0992 16.7986 16.7986 19.5979 19.5979 4715 22.0476 22.0476 24.5322 24.5322 30.0841 30.0841 31.2544 31.2544 4716 33.6806 33.6806 34.7862 34.7862 38.9362 38.9362 40.7329 40.7329 4717 41.6192 41.6192 43.5441 43.5441 4718 4719 k = 0.1538 0.0888 0.0962 band energies (ev): 4720 4721 -114.1637-114.1637 -68.8279 -68.8279 -68.8189 -68.8189 -68.8174 -68.8174 4722 -8.4359 -8.4359 2.3046 2.3046 3.1956 3.1956 3.2692 3.2692 4723 4.0664 4.0664 4.1656 4.1656 4.6532 4.6532 6.9592 6.9592 4724 7.1443 7.1443 14.1007 14.1007 16.7970 16.7970 19.5970 19.5970 4725 22.0478 22.0478 24.5324 24.5324 30.0827 30.0827 31.2623 31.2623 4726 33.6778 33.6778 34.7814 34.7814 38.9417 38.9417 40.7311 40.7311 4727 41.6456 41.6456 43.5343 43.5343 4728 4729 k = 0.1538 0.0888 0.0926 band energies (ev): 4730 4731 -114.1637-114.1637 -68.8280 -68.8279 -68.8189 -68.8189 -68.8174 -68.8174 4732 -8.4429 -8.4289 2.3028 2.3081 3.1809 3.2106 3.2671 3.2717 4733 4.0643 4.0686 4.1591 4.1716 4.6474 4.6596 6.9184 6.9997 4734 7.0937 7.1906 14.0530 14.1521 16.7745 16.8179 19.4994 19.6995 4735 22.0198 22.0759 24.3503 24.7196 30.0168 30.1406 31.0939 31.4350 4736 33.5588 33.7973 34.7419 34.8231 38.8730 39.0058 40.6541 40.8051 4737 41.6040 41.6794 43.2690 43.8148 4738 4739 k = 0.1538 0.0888 0.0890 band energies (ev): 4740 4741 -114.1637-114.1637 -68.8280 -68.8279 -68.8189 -68.8189 -68.8174 -68.8173 4742 -8.4500 -8.4221 2.3028 2.3134 3.1664 3.2259 3.2656 3.2747 4743 4.0624 4.0709 4.1521 4.1770 4.6422 4.6666 6.8775 7.0391 4744 7.0399 7.2324 14.0094 14.2066 16.7505 16.8372 19.4074 19.8061 4745 21.9922 22.1042 24.1741 24.9108 29.9450 30.1881 30.9303 31.6120 4746 33.4424 33.9156 34.7048 34.8668 38.8019 39.0625 40.5745 40.8752 4747 41.5604 41.6956 43.0342 44.0974 4748 4749 k = 0.1538 0.0888 0.0855 band energies (ev): 4750 4751 -114.1637-114.1637 -68.8280 -68.8278 -68.8189 -68.8189 -68.8175 -68.8173 4752 -8.4571 -8.4153 2.3044 2.3205 3.1522 3.2412 3.2645 3.2782 4753 4.0605 4.0733 4.1445 4.1820 4.6377 4.6740 6.8366 6.9809 4754 7.0795 7.2694 13.9704 14.2636 16.7251 16.8548 19.3214 19.9161 4755 21.9650 22.1326 24.0051 25.1049 29.8696 30.2228 30.7714 31.7928 4756 33.3306 34.0315 34.6700 34.9126 38.7300 39.1077 40.4930 40.9410 4757 41.5183 41.6799 42.8496 44.3671 4758 4759 k = 0.1538 0.0888 0.0819 band energies (ev): 4760 4761 -114.1637-114.1637 -68.8281 -68.8278 -68.8189 -68.8188 -68.8175 -68.8173 4762 -8.4642 -8.4087 2.3076 2.3294 3.1385 3.2567 3.2639 3.2821 4763 4.0587 4.0758 4.1365 4.1864 4.6338 4.6819 6.7957 6.9193 4764 7.1186 7.3015 13.9363 14.3227 16.6983 16.8705 19.2421 20.0283 4765 21.9383 22.1609 23.8443 25.3007 29.7925 30.2421 30.6176 31.9773 4766 33.2261 34.1437 34.6377 34.9601 38.6584 39.1364 40.4102 41.0017 4767 41.4796 41.6195 42.7335 44.6009 4768 4769 k = 0.1538 0.0888 0.0783 band energies (ev): 4770 4771 -114.1637-114.1637 -68.8281 -68.8278 -68.8190 -68.8188 -68.8175 -68.8173 4772 -8.4712 -8.4023 2.3122 2.3401 3.1251 3.2639 3.2722 3.2864 4773 4.0570 4.0784 4.1279 4.1905 4.6307 4.6903 6.7552 6.8548 4774 7.1569 7.3286 13.9074 14.3833 16.6701 16.8842 19.1698 20.1416 4775 21.9122 22.1890 23.6932 25.4970 29.7158 30.2433 30.4690 32.1650 4776 33.1312 34.2512 34.6081 35.0094 38.5879 39.1421 40.3267 41.0568 4777 41.4457 41.5170 42.6898 44.7654 4778 4779 k = 0.1538 0.0888 0.0748 band energies (ev): 4780 4781 -114.1637-114.1637 -68.8281 -68.8277 -68.8190 -68.8188 -68.8175 -68.8173 4782 -8.4782 -8.3960 2.3182 2.3525 3.1121 3.2643 3.2877 3.2912 4783 4.0553 4.0811 4.1187 4.1940 4.6283 4.6991 6.7150 6.7878 4784 7.1944 7.3507 13.8840 14.4446 16.6407 16.8958 19.1048 20.2547 4785 21.8868 22.2168 23.5531 25.6923 29.6419 30.2244 30.3258 32.3555 4786 33.0485 34.3532 34.5811 35.0601 38.5192 39.1177 40.2432 41.1055 4787 41.3944 41.4173 42.7033 44.6425 4788 4789 k = 0.1538 0.0888 0.0712 band energies (ev): 4790 4791 -114.1637-114.1637 -68.8281 -68.8277 -68.8190 -68.8188 -68.8176 -68.8172 4792 -8.4851 -8.3899 2.3254 2.3665 3.0996 3.2653 3.2963 3.3031 4793 4.0538 4.0839 4.1091 4.1972 4.6267 4.7082 6.6753 6.7186 4794 7.2309 7.3678 13.8663 14.5063 16.6099 16.9051 19.0475 20.3656 4795 21.8621 22.2443 23.4260 25.8846 29.5731 30.1835 30.1881 32.5483 4796 32.9799 34.4488 34.5570 35.1122 38.4525 39.0565 40.1601 41.1472 4797 41.2775 41.3948 42.7539 44.4895 4798 4799 k = 0.1538 0.0888 0.0677 band energies (ev): 4800 4801 -114.1637-114.1637 -68.8282 -68.8277 -68.8190 -68.8188 -68.8176 -68.8172 4802 -8.4919 -8.3841 2.3337 2.3821 3.0876 3.2668 3.3018 3.3184 4803 4.0523 4.0868 4.0990 4.2000 4.6258 4.7176 6.6362 6.6477 4804 7.2664 7.3800 13.8542 14.5677 16.5778 16.9121 18.9980 20.4724 4805 21.8382 22.2713 23.3138 26.0719 29.5122 30.0561 30.1199 32.7429 4806 32.9265 34.5360 34.5371 35.1654 38.3881 38.9547 40.0782 41.1813 4807 41.1845 41.3785 42.8257 44.3449 4808 4809 k = 0.1538 0.0888 0.0641 band energies (ev): 4810 4811 -114.1637-114.1637 -68.8282 -68.8276 -68.8190 -68.8188 -68.8176 -68.8172 4812 -8.4986 -8.3785 2.3429 2.3991 3.0761 3.2689 3.3076 3.3335 4813 4.0510 4.0884 4.0898 4.2023 4.6258 4.7273 6.5756 6.5980 4814 7.3008 7.3876 13.8477 14.6282 16.5445 16.9167 18.9564 20.5726 4815 21.8152 22.2976 23.2190 26.2516 29.4623 29.9299 30.0336 32.8885 4816 32.9385 34.5183 34.6170 35.2195 38.3261 38.8134 39.9979 41.1233 4817 41.2074 41.3683 42.9081 44.2100 4818 4819 k = 0.1538 0.0888 0.0605 band energies (ev): 4820 4821 -114.1637-114.1637 -68.8282 -68.8276 -68.8190 -68.8188 -68.8176 -68.8172 4822 -8.5050 -8.3731 2.3529 2.4174 3.0651 3.2715 3.3137 3.3483 4823 4.0497 4.0773 4.0929 4.2044 4.6267 4.7372 6.5026 6.5606 4824 7.3339 7.3907 13.8468 14.6875 16.5101 16.9190 18.9226 20.6635 4825 21.7932 22.3233 23.1441 26.4204 29.4271 29.8098 29.9258 32.8654 4826 33.1339 34.5046 34.6872 35.2741 38.2667 38.6386 39.9201 41.0936 4827 41.2249 41.3643 42.9928 44.0853 4828 4829 k = 0.1538 0.0888 0.0570 band energies (ev): 4830 4831 -114.1637-114.1637 -68.8282 -68.8276 -68.8190 -68.8188 -68.8176 -68.8171 4832 -8.5113 -8.3680 2.3635 2.4368 3.0547 3.2746 3.3200 3.3627 4833 4.0485 4.0659 4.0960 4.2061 4.6284 4.7473 6.4293 6.5244 4834 7.3656 7.3897 13.8512 14.7450 16.4745 16.9189 18.8964 20.7423 4835 21.7721 22.3482 23.0919 26.5750 29.4106 29.6957 29.7987 32.8556 4836 33.3277 34.4957 34.7463 35.3291 38.2098 38.4394 39.8452 41.0904 4837 41.2337 41.3661 43.0728 43.9716 4838 4839 k = 0.1538 0.0888 0.0534 band energies (ev): 4840 4841 -114.1637-114.1637 -68.8283 -68.8275 -68.8191 -68.8188 -68.8177 -68.8171 4842 -8.5174 -8.3631 2.3745 2.4571 3.0448 3.2783 3.3265 3.3767 4843 4.0474 4.0541 4.0992 4.2075 4.6310 4.7575 6.3560 6.4893 4844 7.3850 7.3960 13.8607 14.8004 16.4379 16.9166 18.8775 20.8063 4845 21.7521 22.3722 23.0647 26.7116 29.4166 29.5879 29.6546 32.8571 4846 33.5176 34.4932 34.7922 35.3841 38.1554 38.2256 39.7740 41.1073 4847 41.2337 41.3735 43.1410 43.8694 4848 4849 k = 0.1538 0.0888 0.0499 band energies (ev): 4850 4851 -114.1637-114.1637 -68.8283 -68.8275 -68.8191 -68.8188 -68.8177 -68.8171 4852 -8.5232 -8.3585 2.3858 2.4781 3.0355 3.2825 3.3332 3.3903 4853 4.0421 4.0463 4.1024 4.2087 4.6344 4.7677 6.2834 6.4556 4854 7.3769 7.4248 13.8748 14.8532 16.4004 16.9123 18.8654 20.8539 4855 21.7332 22.3951 23.0640 26.8270 29.4491 29.4864 29.4965 32.8680 4856 33.6998 34.5000 34.8224 35.4387 38.0067 38.1037 39.7072 41.1384 4857 41.2252 41.3861 43.1909 43.7787 4858 4859 k = 0.1538 0.0888 0.0463 band energies (ev): 4860 4861 -114.1637-114.1637 -68.8283 -68.8275 -68.8191 -68.8188 -68.8177 -68.8171 4862 -8.5287 -8.3542 2.3972 2.4995 3.0268 3.2873 3.3400 3.4033 4863 4.0297 4.0453 4.1057 4.2096 4.6387 4.7779 6.2118 6.4234 4864 7.3661 7.4520 13.8930 14.9032 16.3623 16.9063 18.8595 20.8845 4865 21.7154 22.4169 23.0899 26.9189 29.3273 29.3913 29.5104 32.8859 4866 33.8676 34.5217 34.8338 35.4925 37.7911 38.0547 39.6453 41.1789 4867 41.2087 41.4034 43.2176 43.6994 4868 4869 k = 0.1538 0.0888 0.0427 band energies (ev): 4870 4871 -114.1637-114.1637 -68.8283 -68.8275 -68.8191 -68.8188 -68.8177 -68.8171 4872 -8.5339 -8.3502 2.4086 2.5211 3.0187 3.2926 3.3467 3.4156 4873 4.0173 4.0444 4.1089 4.2103 4.6439 4.7880 6.1418 6.3928 4874 7.3529 7.4776 13.9149 14.9500 16.3237 16.8989 18.8590 20.8988 4875 21.6988 22.4376 23.1409 26.9868 29.1499 29.3029 29.6014 32.9090 4876 34.0104 34.5679 34.8229 35.5453 37.5865 38.0084 39.5893 41.1851 4877 41.2252 41.4247 43.2195 43.3965 4878 4879 k = 0.1538 0.0888 0.0392 band energies (ev): 4880 4881 -114.1637-114.1637 -68.8283 -68.8274 -68.8191 -68.8188 -68.8177 -68.8171 4882 -8.5388 -8.3465 2.4197 2.5425 3.0112 3.2983 3.3534 3.4272 4883 4.0047 4.0436 4.1121 4.2108 4.6498 4.7979 6.0739 6.3641 4884 7.3379 7.5013 13.9398 14.9935 16.2850 16.8904 18.8632 20.8992 4885 21.6835 22.4569 23.2142 27.0320 28.9671 29.2211 29.7210 32.9355 4886 34.1161 34.6492 34.7861 35.5964 37.3997 37.9648 39.5398 41.1556 4887 41.2745 41.4495 43.0986 43.1991 4888 4889 k = 0.1538 0.0888 0.0356 band energies (ev): 4890 4891 -114.1637-114.1637 -68.8283 -68.8274 -68.8191 -68.8188 -68.8177 -68.8170 4892 -8.5433 -8.3431 2.4304 2.5635 3.0043 3.3044 3.3599 3.4381 4893 3.9923 4.0428 4.1152 4.2112 4.6564 4.8074 6.0087 6.3372 4894 7.3218 7.5233 13.9669 15.0335 16.2466 16.8812 18.8711 20.8885 4895 21.6693 22.4749 23.3060 27.0574 28.7816 29.1461 29.8661 32.9639 4896 34.1825 34.7203 34.7663 35.6455 37.2362 37.9243 39.4976 41.1215 4897 41.3247 41.4769 42.8089 43.1613 4898 4899 k = 0.1538 0.0888 0.0321 band energies (ev): 4900 4901 -114.1637-114.1637 -68.8283 -68.8274 -68.8191 -68.8188 -68.8177 -68.8170 4902 -8.5475 -8.3400 2.4405 2.5837 2.9981 3.3109 3.3662 3.4481 4903 3.9800 4.0422 4.1182 4.2114 4.6637 4.8166 5.9467 6.3124 4904 7.3050 7.5434 13.9955 15.0699 16.2089 16.8717 18.8819 20.8698 4905 21.6565 22.4914 23.4117 27.0667 28.5962 29.0780 30.0329 32.9929 4906 34.2201 34.6240 34.9070 35.6920 37.0995 37.8868 39.4635 41.0843 4907 41.3742 41.5060 42.5291 43.1119 4908 4909 k = 0.1538 0.0888 0.0285 band energies (ev): 4910 4911 -114.1637-114.1637 -68.8284 -68.8274 -68.8191 -68.8188 -68.8178 -68.8170 4912 -8.5513 -8.3373 2.4500 2.6028 2.9925 3.3176 3.3721 3.4573 4913 3.9680 4.0416 4.1210 4.2115 4.6714 4.8253 5.8885 6.2899 4914 7.2882 7.5615 14.0249 15.1026 16.1724 16.8622 18.8946 20.8463 4915 21.6449 22.5064 23.5267 27.0642 28.4137 29.0168 30.2165 33.0214 4916 34.2410 34.4983 35.0567 35.7355 36.9907 37.8525 39.4382 41.0457 4917 41.4218 41.5361 42.2612 43.0563 4918 4919 k = 0.1538 0.0888 0.0249 band energies (ev): 4920 4921 -114.1637-114.1637 -68.8284 -68.8274 -68.8192 -68.8188 -68.8178 -68.8170 4922 -8.5547 -8.3348 2.4587 2.6206 2.9875 3.3243 3.3776 3.4655 4923 3.9567 4.0410 4.1236 4.2115 4.6793 4.8333 5.8348 6.2696 4924 7.2718 7.5776 14.0539 15.1314 16.1377 16.8530 18.9083 20.8204 4925 21.6347 22.5198 23.6465 27.0537 28.2374 28.9626 30.4121 33.0485 4926 34.2530 34.3468 35.2055 35.7755 36.9080 37.8217 39.4221 41.0073 4927 41.4665 41.5662 42.0075 42.9987 4928 4929 k = 0.1538 0.0888 0.0214 band energies (ev): 4930 4931 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8188 -68.8178 -68.8170 4932 -8.5576 -8.3327 2.4665 2.6366 2.9832 3.3308 3.3826 3.4727 4933 3.9461 4.0406 4.1260 4.2115 4.6873 4.8405 5.7862 6.2518 4934 7.2565 7.5917 14.0818 15.1564 16.1055 16.8444 18.9221 20.7944 4935 21.6258 22.5315 23.7664 27.0386 28.0705 28.9155 30.6147 33.0734 4936 34.1757 34.2601 35.3465 35.8114 36.8480 37.7945 39.4155 40.9706 4937 41.5074 41.5951 41.7708 42.9425 4938 4939 k = 0.1538 0.0888 0.0178 band energies (ev): 4940 4941 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8188 -68.8178 -68.8170 4942 -8.5602 -8.3309 2.4732 2.6506 2.9796 3.3370 3.3870 3.4788 4943 3.9364 4.0402 4.1281 4.2114 4.6949 4.8469 5.7435 6.2365 4944 7.2426 7.6036 14.1076 15.1776 16.0766 16.8368 18.9353 20.7700 4945 21.6182 22.5415 23.8813 27.0215 27.9171 28.8755 30.8185 33.0955 4946 33.9931 34.2645 35.4747 35.8427 36.8061 37.7711 39.4180 40.9369 4947 41.5437 41.5547 41.6219 42.8905 4948 4949 k = 0.1538 0.0888 0.0142 band energies (ev): 4950 4951 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8188 -68.8178 -68.8170 4952 -8.5623 -8.3294 2.4789 2.6625 2.9766 3.3426 3.3907 3.4839 4953 3.9281 4.0398 4.1298 4.2114 4.7019 4.8523 5.7073 6.2239 4954 7.2306 7.6135 14.1302 15.1949 16.0516 16.8302 18.9472 20.7485 4955 21.6120 22.5498 23.9863 27.0048 27.7815 28.8428 31.0164 33.1143 4956 33.8084 34.2673 35.5859 35.8691 36.7781 37.7517 39.4284 40.9076 4957 41.3638 41.5747 41.6456 42.8449 4958 4959 k = 0.1538 0.0888 0.0107 band energies (ev): 4960 4961 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8188 -68.8178 -68.8170 4962 -8.5639 -8.3283 2.4833 2.6719 2.9743 3.3473 3.3937 3.4879 4963 3.9213 4.0396 4.1313 4.2113 4.7079 4.8566 5.6783 6.2140 4964 7.2208 7.6212 14.1490 15.2083 16.0312 16.8249 18.9571 20.7308 4965 21.6071 22.5563 24.0759 26.9901 27.6685 28.8173 31.1988 33.1293 4966 33.6338 34.2690 35.6766 35.8900 36.7601 37.7364 39.4441 40.8837 4967 41.2037 41.5997 41.6652 42.8075 4968 4969 k = 0.1538 0.0888 0.0071 band energies (ev): 4970 4971 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8188 -68.8178 -68.8170 4972 -8.5651 -8.3274 2.4865 2.6788 2.9726 3.3509 3.3958 3.4908 4973 3.9162 4.0394 4.1323 4.2112 4.7125 4.8598 5.6570 6.2068 4974 7.2137 7.6267 14.1629 15.2179 16.0161 16.8210 18.9645 20.7177 4975 21.6037 22.5609 24.1449 26.9788 27.5831 28.7990 31.3519 33.1402 4976 33.4850 34.2701 35.7438 35.9052 36.7493 37.7254 39.4611 40.8661 4977 41.0813 41.6181 41.6799 42.7797 4978 4979 k = 0.1538 0.0888 0.0036 band energies (ev): 4980 4981 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8188 -68.8178 -68.8170 4982 -8.5658 -8.3269 2.4885 2.6829 2.9716 3.3531 3.3972 3.4925 4983 3.9131 4.0393 4.1329 4.2112 4.7154 4.8617 5.6441 6.2025 4984 7.2093 7.6300 14.1716 15.2236 16.0069 16.8187 18.9691 20.7097 4985 21.6016 22.5637 24.1885 26.9716 27.5296 28.7881 31.4571 33.1469 4986 33.3819 34.2707 35.7851 35.9145 36.7436 37.7187 39.4744 40.8552 4987 41.0038 41.6294 41.6889 42.7625 4988 4989 k = 0.1538 0.0888 0.0000 band energies (ev): 4990 4991 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8188 -68.8178 -68.8170 4992 -8.5660 -8.3268 2.4891 2.6843 2.9713 3.3539 3.3976 3.4931 4993 3.9120 4.0393 4.1331 4.2112 4.7164 4.8623 5.6397 6.2011 4994 7.2078 7.6311 14.1745 15.2256 16.0037 16.8179 18.9707 20.7070 4995 21.6009 22.5646 24.2035 26.9692 27.5115 28.7844 31.4951 33.1491 4996 33.3444 34.2708 35.7991 35.9176 36.7418 37.7165 39.4794 40.8516 4997 40.9771 41.6332 41.6920 42.7568 4998 4999 k = 0.1521 0.0919 0.0000 band energies (ev): 5000 5001 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8188 -68.8178 -68.8170 5002 -8.5657 -8.3268 2.4898 2.6857 2.9710 3.3529 3.3981 3.4938 5003 3.9119 4.0386 4.1334 4.2111 4.7166 4.8631 5.6392 6.1987 5004 7.2066 7.6287 14.1783 15.2295 16.0041 16.8181 18.9708 20.7076 5005 21.5887 22.5588 24.2092 26.9758 27.5193 28.7818 31.4928 33.1582 5006 33.3455 34.2634 35.8022 35.9147 36.7282 37.7139 39.5001 40.7714 5007 40.9076 41.6841 41.7759 42.7841 5008 5009 k = 0.1503 0.0949 0.0000 band energies (ev): 5010 5011 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8188 -68.8178 -68.8170 5012 -8.5648 -8.3268 2.4917 2.6900 2.9702 3.3500 3.3994 3.4957 5013 3.9114 4.0367 4.1341 4.2107 4.7174 4.8654 5.6375 6.1917 5014 7.2029 7.6217 14.1896 15.2413 16.0051 16.8187 18.9713 20.7096 5015 21.5529 22.5416 24.2254 26.9955 27.5429 28.7741 31.4857 33.1852 5016 33.3484 34.2411 35.8117 35.9060 36.6886 37.7060 39.5606 40.5875 5017 40.7427 41.7947 41.9708 42.8646 5018 5019 k = 0.1485 0.0980 0.0000 band energies (ev): 5020 5021 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8188 -68.8178 -68.8170 5022 -8.5634 -8.3268 2.4949 2.6971 2.9688 3.3453 3.4017 3.4988 5023 3.9107 4.0337 4.1353 4.2102 4.7185 4.8693 5.6344 6.1805 5024 7.1968 7.6101 14.2082 15.2606 16.0067 16.8197 18.9721 20.7129 5025 21.4955 22.5134 24.2495 27.0278 27.5827 28.7622 31.4741 33.2293 5026 33.3529 34.2044 35.8273 35.8918 36.6270 37.6925 39.6573 40.3653 5027 40.5346 41.9174 42.2112 42.9927 5028 5029 k = 0.1468 0.1011 0.0000 band energies (ev): 5030 5031 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8188 -68.8178 -68.8170 5032 -8.5614 -8.3269 2.4994 2.7071 2.9670 3.3391 3.4048 3.5028 5033 3.9096 4.0295 4.1370 4.2093 4.7201 4.8747 5.6295 6.1657 5034 7.1882 7.5941 14.2341 15.2872 16.0090 16.8211 18.9732 20.7173 5035 21.4198 22.4751 24.2776 27.0721 27.6395 28.7472 31.4583 33.2894 5036 33.3581 34.1545 35.8490 35.8723 36.5484 37.6730 39.7851 40.1313 5037 40.3069 42.0372 42.4701 43.1592 5038 5039 k = 0.1450 0.1041 0.0000 band energies (ev): 5040 5041 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8188 -68.8178 -68.8170 5042 -8.5588 -8.3270 2.5051 2.7198 2.9648 3.3317 3.4089 3.5075 5043 3.9083 4.0243 4.1391 4.2081 4.7221 4.8813 5.6221 6.1483 5044 7.1771 7.5741 14.2668 15.3207 16.0118 16.8229 18.9746 20.7225 5045 21.3295 22.4279 24.3053 27.1274 27.7141 28.7306 31.4384 33.3625 5046 33.3640 34.0930 35.8478 35.8763 36.4581 37.6467 39.8961 39.9376 5047 40.0704 42.1534 42.7364 43.2203 5048 5049 k = 0.1432 0.1072 0.0000 band energies (ev): 5050 5051 -114.1637-114.1637 -68.8284 -68.8273 -68.8192 -68.8187 -68.8179 -68.8170 5052 -8.5556 -8.3271 2.5119 2.7353 2.9623 3.3232 3.4137 3.5126 5053 3.9067 4.0183 4.1417 4.2064 4.7245 4.8893 5.6114 6.1295 5054 7.1634 7.5504 14.3063 15.3603 16.0153 16.8250 18.9764 20.7281 5055 21.2283 22.3729 24.3283 27.1926 27.8072 28.7139 31.4149 33.3636 5056 33.4513 34.0230 35.8186 35.9090 36.3607 37.6127 39.6650 39.8254 5057 40.1151 42.2694 43.0031 43.1703 5058 5059 k = 0.1415 0.1103 0.0000 band energies (ev): 5060 5061 -114.1637-114.1637 -68.8284 -68.8273 -68.8191 -68.8187 -68.8179 -68.8171 5062 -8.5519 -8.3272 2.5198 2.7536 2.9595 3.3139 3.4193 3.5181 5063 3.9047 4.0116 4.1445 4.2043 4.7271 4.8982 5.5964 6.1107 5064 7.1471 7.5235 14.3520 15.4055 16.0192 16.8274 18.9785 20.7327 5065 21.1209 22.3117 24.3428 27.2667 27.9192 28.6991 31.3882 33.3568 5066 33.5493 33.9499 35.7853 35.9463 36.2603 37.5697 39.4413 39.5814 5067 40.3069 42.3880 43.1135 43.2678 5068 5069 k = 0.1397 0.1133 0.0000 band energies (ev): 5070 5071 -114.1637-114.1637 -68.8284 -68.8273 -68.8191 -68.8187 -68.8179 -68.8171 5072 -8.5477 -8.3275 2.5286 2.7745 2.9566 3.3040 3.4257 3.5239 5073 3.9026 4.0044 4.1476 4.2015 4.7301 4.9082 5.5761 6.0934 5074 7.1282 7.4937 14.4036 15.4555 16.0236 16.8300 18.9810 20.7326 5075 21.0136 22.2457 24.3458 27.3486 28.0501 28.6879 31.3588 33.3347 5076 33.6559 33.8818 35.7483 35.9874 36.1599 37.5162 39.2279 39.3371 5077 40.5131 42.5106 43.0555 43.5204 5078 5079 k = 0.1379 0.1164 0.0000 band energies (ev): 5080 5081 -114.1637-114.1637 -68.8283 -68.8273 -68.8191 -68.8187 -68.8179 -68.8171 5082 -8.5430 -8.3278 2.5384 2.7981 2.9537 3.2935 3.4329 3.5297 5083 3.9001 3.9967 4.1509 4.1981 4.7332 4.9188 5.5493 6.0793 5084 7.1066 7.4616 14.4606 15.5093 16.0285 16.8327 18.9839 20.7163 5085 20.9204 22.1765 24.3352 27.4370 28.1989 28.6825 31.3271 33.2874 5086 33.7690 33.8296 35.7081 36.0285 36.0647 37.4504 39.0275 39.0944 5087 40.7309 42.6379 42.9944 43.7587 5088 5089 k = 0.1362 0.1195 0.0000 band energies (ev): 5090 5091 -114.1637-114.1637 -68.8283 -68.8274 -68.8191 -68.8187 -68.8179 -68.8172 5092 -8.5378 -8.3282 2.5489 2.8242 2.9510 3.2826 3.4407 3.5357 5093 3.8974 3.9887 4.1543 4.1941 4.7365 4.9299 5.5157 6.0694 5094 7.0825 7.4275 14.5226 15.5662 16.0336 16.8353 18.9872 20.6594 5095 20.8676 22.1057 24.3098 27.5310 28.3624 28.6870 31.2937 33.2082 5096 33.8011 33.8864 35.6652 35.9636 36.0811 37.3706 38.8427 38.8544 5097 40.9584 42.7694 42.9321 43.9801 5098 5099 k = 0.1344 0.1225 0.0000 band energies (ev): 5100 5101 -114.1637-114.1637 -68.8283 -68.8274 -68.8191 -68.8187 -68.8180 -68.8172 5102 -8.5322 -8.3288 2.5601 2.8529 2.9484 3.2715 3.4492 3.5417 5103 3.8944 3.9806 4.1577 4.1893 4.7400 4.9414 5.4750 6.0644 5104 7.0559 7.3920 14.5891 15.6251 16.0391 16.8376 18.9909 20.5624 5105 20.8565 22.0349 24.2691 27.6295 28.5258 28.7159 31.2589 33.0981 5106 33.7965 34.0058 35.6201 35.8734 36.1282 37.2753 38.6186 38.6756 5107 41.1940 42.8698 42.9041 44.1868 5108 5109 k = 0.1326 0.1256 0.0000 band energies (ev): 5110 5111 -114.1637-114.1637 -68.8283 -68.8274 -68.8191 -68.8187 -68.8180 -68.8172 5112 -8.5261 -8.3294 2.5717 2.8839 2.9463 3.2601 3.4585 3.5477 5113 3.8912 3.9724 4.1608 4.1837 4.7436 4.9529 5.4276 6.0648 5114 7.0270 7.3554 14.6596 15.6850 16.0447 16.8394 18.9950 20.4495 5115 20.8642 21.9657 24.2135 27.7318 28.6298 28.8281 31.2234 32.9635 5116 33.8104 34.1250 35.5733 35.7880 36.1750 37.1643 38.3884 38.5273 5117 41.4366 42.8088 43.0406 44.3839 5118 5119 k = 0.1309 0.1286 0.0000 band energies (ev): 5120 5121 -114.1637-114.1637 -68.8283 -68.8274 -68.8191 -68.8187 -68.8180 -68.8173 5122 -8.5196 -8.3303 2.5836 2.9172 2.9448 3.2485 3.4684 3.5538 5123 3.8877 3.9644 4.1635 4.1773 4.7474 4.9641 5.3744 6.0702 5124 6.9962 7.3178 14.7337 15.7450 16.0505 16.8403 18.9996 20.3327 5125 20.8799 21.8997 24.1436 27.8369 28.6709 29.0263 31.1875 32.8111 5126 33.8373 34.2414 35.5252 35.7080 36.2191 37.0387 38.1656 38.3978 5127 41.6850 42.7505 43.1771 44.5769 5128 5129 k = 0.1291 0.1317 0.0000 band energies (ev): 5130 5131 -114.1637-114.1637 -68.8283 -68.8274 -68.8190 -68.8186 -68.8181 -68.8173 5132 -8.5128 -8.3313 2.5956 2.9440 2.9527 3.2369 3.4789 3.5601 5133 3.8840 3.9565 4.1655 4.1700 4.7513 4.9749 5.3164 6.0803 5134 6.9638 7.2796 14.8108 15.8042 16.0562 16.8399 19.0046 20.2166 5135 20.9002 21.8383 24.0605 27.9443 28.7025 29.2559 31.1516 32.6459 5136 33.8730 34.3525 35.4762 35.6339 36.2575 36.9012 37.9528 38.2856 5137 41.9386 42.6963 43.3114 44.7698 5138 5139 k = 0.1273 0.1348 0.0000 band energies (ev): 5140 5141 -114.1637-114.1637 -68.8282 -68.8274 -68.8190 -68.8186 -68.8181 -68.8173 5142 -8.5056 -8.3326 2.6074 2.9442 2.9900 3.2253 3.4902 3.5665 5143 3.8800 3.9490 4.1619 4.1666 4.7554 4.9850 5.2548 6.0947 5144 6.9303 7.2407 14.8905 15.8617 16.0619 16.8377 19.0101 20.1031 5145 20.9237 21.7832 23.9654 28.0532 28.7372 29.5028 31.1160 32.4713 5146 33.9151 34.4553 35.4264 35.5659 36.2860 36.7560 37.7538 38.1883 5147 42.1966 42.6475 43.4411 44.9649 5148 5149 k = 0.1256 0.1378 0.0000 band energies (ev): 5150 5151 -114.1637-114.1637 -68.8282 -68.8275 -68.8190 -68.8186 -68.8181 -68.8174 5152 -8.4981 -8.3341 2.6189 2.9454 3.0290 3.2139 3.5022 3.5731 5153 3.8759 3.9420 4.1528 4.1664 4.7598 4.9939 5.1910 6.1129 5154 6.8963 7.2013 14.9723 15.9167 16.0675 16.8330 19.0161 19.9936 5155 20.9500 21.7356 23.8597 28.1633 28.7775 29.7632 31.0811 32.2897 5156 33.9618 34.5468 35.3759 35.5039 36.2985 36.6083 37.5746 38.1031 5157 42.4584 42.6057 43.5632 45.1635 5158 5159 k = 0.1238 0.1409 0.0000 band energies (ev): 5160 5161 -114.1637-114.1637 -68.8282 -68.8275 -68.8190 -68.8186 -68.8182 -68.8174 5162 -8.4903 -8.3359 2.6297 2.9479 3.0693 3.2026 3.5149 3.5801 5163 3.8715 3.9354 4.1429 4.1644 4.7645 5.0015 5.1260 6.1345 5164 6.8625 7.1613 15.0558 15.9686 16.0728 16.8251 19.0225 19.8890 5165 20.9789 21.6969 23.7446 28.2741 28.8240 30.0348 31.0469 32.1030 5166 34.0117 34.6235 35.3239 35.4482 36.2867 36.4641 37.4230 38.0273 5167 42.5721 42.7233 43.6740 45.3662 5168 5169 k = 0.1220 0.1440 0.0000 band energies (ev): 5170 5171 -114.1637-114.1637 -68.8282 -68.8275 -68.8189 -68.8186 -68.8182 -68.8175 5172 -8.4823 -8.3380 2.6398 2.9517 3.1100 3.1922 3.5284 3.5877 5173 3.8669 3.9295 4.1320 4.1602 4.7697 5.0075 5.0613 6.1591 5174 6.8295 7.1206 15.1405 16.0169 16.0777 16.8134 19.0293 19.7899 5175 21.0100 21.6683 23.6215 28.3852 28.8766 30.3162 31.0135 31.9131 5176 34.0639 34.6819 35.2689 35.3987 36.2416 36.3298 37.3078 37.9588 5177 42.5480 42.9907 43.7692 45.5729 5178 5179 k = 0.1202 0.1470 0.0000 band energies (ev): 5180 5181 -114.1637-114.1637 -68.8281 -68.8275 -68.8189 -68.8185 -68.8182 -68.8175 5182 -8.4741 -8.3404 2.6488 2.9569 3.1473 3.1860 3.5427 3.5960 5183 3.8621 3.9243 4.1201 4.1530 4.7754 4.9981 5.0115 6.1864 5184 6.7979 7.0791 15.2262 16.0612 16.0822 16.7972 19.0367 19.6969 5185 21.0434 21.6508 23.4917 28.4964 28.9352 30.6057 30.9805 31.7216 5186 34.1175 34.7192 35.2083 35.3554 36.1578 36.2126 37.2339 37.8958 5187 42.5347 43.2598 43.8434 45.6688 5188 5189 k = 0.1185 0.1501 0.0000 band energies (ev): 5190 5191 -114.1637-114.1637 -68.8281 -68.8276 -68.8189 -68.8185 -68.8183 -68.8176 5192 -8.4657 -8.3432 2.6568 2.9636 3.1591 3.2057 3.5578 3.6054 5193 3.8571 3.9200 4.1072 4.1423 4.7819 4.9377 5.0132 6.2162 5194 6.7684 7.0368 15.3123 16.0862 16.1009 16.7759 19.0446 19.6103 5195 21.0789 21.6452 23.3562 28.6076 28.9994 30.9021 30.9466 31.5308 5196 34.1715 34.7332 35.1395 35.3182 36.0383 36.1182 37.1984 37.8370 5197 42.5333 43.5292 43.8915 45.6116 5198 5199 k = 0.1167 0.1531 0.0000 band energies (ev): 5200 5201 -114.1637-114.1637 -68.8281 -68.8276 -68.8189 -68.8185 -68.8183 -68.8176 5202 -8.4572 -8.3464 2.6635 2.9717 3.1512 3.2445 3.5738 3.6163 5203 3.8518 3.9165 4.0934 4.1275 4.7891 4.8816 5.0125 6.2483 5204 6.7414 6.9936 15.3985 16.0897 16.1359 16.7491 19.0530 19.5305 5205 21.1164 21.6520 23.2163 28.7185 29.0687 30.9086 31.2037 31.3450 5206 34.2254 34.7227 35.0618 35.2870 35.8921 36.0500 37.1921 37.7816 5207 42.5446 43.7909 43.9150 45.5603 5208 5209 k = 0.1149 0.1562 0.0000 band energies (ev): 5210 5211 -114.1637-114.1637 -68.8280 -68.8276 -68.8188 -68.8185 -68.8183 -68.8176 5212 -8.4487 -8.3501 2.6691 2.9811 3.1409 3.2844 3.5907 3.6291 5213 3.8463 3.9141 4.0786 4.1081 4.7965 4.8317 5.0091 6.2824 5214 6.7175 6.9497 15.4846 16.0926 16.1655 16.7169 19.0621 19.4577 5215 21.1555 21.6714 23.0731 28.8291 29.1426 30.8566 31.1750 31.5085 5216 34.2783 34.6863 34.9798 35.2612 35.7293 36.0064 37.2050 37.7290 5217 42.5695 43.8709 44.0840 45.5298 5218 5219 k = 0.1132 0.1593 0.0000 band energies (ev): 5220 5221 -114.1637-114.1637 -68.8280 -68.8276 -68.8188 -68.8185 -68.8184 -68.8177 5222 -8.4401 -8.3542 2.6735 2.9915 3.1301 3.3222 3.6085 3.6445 5223 3.8404 3.9129 4.0627 4.0840 4.7823 4.8111 5.0029 6.3183 5224 6.6968 6.9050 15.5702 16.0948 16.1890 16.6799 19.0720 19.3922 5225 21.1961 21.7033 22.9277 28.9393 29.2206 30.7662 31.0458 31.8140 5226 34.3296 34.6231 34.9023 35.2394 35.5583 35.9820 37.2296 37.6787 5227 42.6083 43.8193 44.3491 45.5243 5228 5229 k = 0.1114 0.1623 0.0000 band energies (ev): 5230 5231 -114.1637-114.1637 -68.8280 -68.8277 -68.8188 -68.8185 -68.8184 -68.8177 5232 -8.4315 -8.3587 2.6769 3.0028 3.1191 3.3564 3.6272 3.6627 5233 3.8339 3.9129 4.0460 4.0557 4.7462 4.8210 4.9938 6.3560 5234 6.6793 6.8600 15.6550 16.0963 16.2049 16.6395 19.0827 19.3340 5235 21.2374 21.7474 22.7815 29.0490 29.3019 30.6214 30.9740 32.1160 5236 34.3790 34.5376 34.8352 35.2155 35.3899 35.9705 37.2608 37.6306 5237 42.6614 43.7356 44.6146 45.5407 5238 5239 k = 0.1096 0.1654 0.0000 band energies (ev): 5240 5241 -114.1637-114.1637 -68.8280 -68.8277 -68.8188 -68.8185 -68.8184 -68.8177 5242 -8.4229 -8.3638 2.6793 3.0147 3.1081 3.3855 3.6466 3.6839 5243 3.8266 3.9144 4.0246 4.0283 4.7160 4.8340 4.9818 6.3952 5244 6.6645 6.8155 15.7388 16.0973 16.2106 16.5986 19.0944 19.2833 5245 21.2788 21.8030 22.6360 29.1581 29.3860 30.4449 30.9376 32.4078 5246 34.4261 34.4433 34.7778 35.1460 35.2701 35.9660 37.2952 37.5849 5247 42.7288 43.6302 44.8762 45.5720 5248 5249 k = 0.1079 0.1685 0.0000 band energies (ev): 5250 5251 -114.1637-114.1637 -68.8279 -68.8277 -68.8187 -68.8185 -68.8185 -68.8177 5252 -8.4145 -8.3695 2.6810 3.0269 3.0970 3.4086 3.6667 3.7066 5253 3.8180 3.9175 3.9936 4.0097 4.6928 4.8490 4.9671 6.4359 5254 6.6505 6.7734 15.8214 16.0976 16.2021 16.5617 19.1073 19.2400 5255 21.3186 21.8694 22.4932 29.2662 29.4719 30.2571 30.9169 32.6770 5256 34.3602 34.4710 34.7267 34.9906 35.2405 35.9646 37.3308 37.5416 5257 42.8100 43.5113 45.1307 45.6104 5258 5259 k = 0.1061 0.1715 0.0000 band energies (ev): 5260 5261 -114.1637-114.1637 -68.8279 -68.8278 -68.8187 -68.8185 -68.8185 -68.8178 5262 -8.4062 -8.3758 2.6820 3.0392 3.0859 3.4253 3.6872 3.7273 5263 3.8077 3.9224 3.9677 3.9905 4.6766 4.8663 4.9496 6.4778 5264 6.6329 6.7381 15.9026 16.0974 16.1750 16.5338 19.1214 19.2041 5265 21.3543 21.9454 22.3561 29.3723 29.5590 30.0667 30.9047 32.9015 5266 34.3159 34.5137 34.6795 34.8171 35.2337 35.9638 37.3660 37.5011 5267 42.9047 43.3854 45.3734 45.6494 5268 5269 k = 0.1043 0.1746 0.0000 band energies (ev): 5270 5271 -114.1637-114.1637 -68.8279 -68.8278 -68.8187 -68.8185 -68.8185 -68.8178 5272 -8.3980 -8.3826 2.6826 3.0513 3.0746 3.4354 3.7077 3.7377 5273 3.7982 3.9291 3.9530 3.9709 4.6669 4.8858 4.9297 6.5209 5274 6.6050 6.7166 15.9822 16.0967 16.1270 16.5180 19.1370 19.1755 5275 21.3817 22.0300 22.2297 29.4723 29.6463 29.8809 30.8982 33.0487 5276 34.3453 34.5546 34.6354 34.6426 35.2322 35.9628 37.3997 37.4641 5277 43.0121 43.2574 45.5797 45.7013 5278 5279 k = 0.1026 0.1776 0.0000 band energies (ev): 5280 5281 -114.1637-114.1637 -68.8278 -68.8278 -68.8187 -68.8185 -68.8185 -68.8178 5282 -8.3901 -8.3901 2.6827 3.0632 3.0632 3.4388 3.7278 3.7278 5283 3.7952 3.9347 3.9545 3.9545 4.6637 4.9076 4.9076 6.5650 5284 6.5650 6.7104 16.0597 16.0597 16.0960 16.5133 19.1540 19.1540 5285 21.3930 22.1218 22.1218 29.5347 29.7327 29.7327 30.8962 33.0964 5286 34.4705 34.4705 34.5944 34.5944 35.2321 35.9621 37.4313 37.4313 5287 43.1311 43.1312 45.6390 45.8633 5288 5289 k = 0.1026 0.1776 0.0036 band energies (ev): 5290 5291 -114.1637-114.1637 -68.8278 -68.8278 -68.8187 -68.8185 -68.8185 -68.8178 5292 -8.3900 -8.3900 2.6831 3.0619 3.0619 3.4372 3.7239 3.7239 5293 3.7956 3.9346 3.9589 3.9589 4.6661 4.9070 4.9070 6.5675 5294 6.5675 6.7086 16.0601 16.0602 16.0967 16.5132 19.1451 19.1451 5295 21.3967 22.1313 22.1313 29.5042 29.7255 29.7255 30.9129 33.0920 5296 34.4153 34.4153 34.6614 34.6614 35.2498 35.9704 37.4278 37.4278 5297 43.1335 43.1336 45.6245 45.8633 5298 5299 k = 0.1026 0.1776 0.0071 band energies (ev): 5300 5301 -114.1637-114.1637 -68.8278 -68.8278 -68.8187 -68.8185 -68.8185 -68.8178 5302 -8.3899 -8.3899 2.6841 3.0582 3.0582 3.4324 3.7130 3.7130 5303 3.7965 3.9343 3.9711 3.9711 4.6730 4.9049 4.9049 6.5752 5304 6.5752 6.7035 16.0615 16.0616 16.0990 16.5128 19.1186 19.1186 5305 21.4078 22.1595 22.1595 29.4176 29.7041 29.7041 30.9584 33.0789 5306 34.3347 34.3347 34.7771 34.7771 35.3024 35.9952 37.4176 37.4176 5307 43.1407 43.1407 45.5812 45.8633 5308 5309 k = 0.1026 0.1776 0.0107 band energies (ev): 5310 5311 -114.1637-114.1637 -68.8278 -68.8278 -68.8187 -68.8185 -68.8185 -68.8178 5312 -8.3897 -8.3897 2.6858 3.0520 3.0520 3.4245 3.6973 3.6973 5313 3.7980 3.9338 3.9891 3.9891 4.6845 4.9016 4.9016 6.5877 5314 6.5877 6.6950 16.0639 16.0639 16.1027 16.5122 19.0757 19.0757 5315 21.4262 22.2052 22.2052 29.2863 29.6691 29.6691 31.0223 33.0576 5316 34.2607 34.2607 34.9087 34.9087 35.3888 36.0361 37.4013 37.4013 5317 43.1523 43.1523 45.5100 45.8631 5318 5319 k = 0.1026 0.1776 0.0142 band energies (ev): 5320 5321 -114.1637-114.1637 -68.8278 -68.8278 -68.8187 -68.8185 -68.8185 -68.8178 5322 -8.3894 -8.3894 2.6882 3.0434 3.0434 3.4139 3.6788 3.6788 5323 3.7999 3.9332 4.0109 4.0109 4.7004 4.8971 4.8971 6.6050 5324 6.6050 6.6831 16.0672 16.0672 16.1079 16.5113 19.0181 19.0181 5325 21.4521 22.2667 22.2667 29.1221 29.6213 29.6213 31.0944 33.0288 5326 34.1964 34.1964 35.0513 35.0513 35.5075 36.0921 37.3800 37.3800 5327 43.1679 43.1679 45.4123 45.8624 5328 5329 k = 0.1026 0.1776 0.0178 band energies (ev): 5330 5331 -114.1637-114.1637 -68.8278 -68.8278 -68.8187 -68.8185 -68.8185 -68.8178 5332 -8.3891 -8.3891 2.6913 3.0325 3.0325 3.4006 3.6590 3.6590 5333 3.8023 3.9323 4.0350 4.0350 4.7204 4.8914 4.8914 6.6267 5334 6.6267 6.6679 16.0715 16.0715 16.1144 16.5102 18.9478 18.9478 5335 21.4853 22.3420 22.3420 28.9344 29.5617 29.5617 31.1674 32.9934 5336 34.1422 34.1422 35.2025 35.2025 35.6562 36.1625 37.3552 37.3552 5337 43.1871 43.1871 45.2903 45.8607 5338 5339 k = 0.1026 0.1776 0.0214 band energies (ev): 5340 5341 -114.1637-114.1637 -68.8278 -68.8278 -68.8187 -68.8185 -68.8185 -68.8178 5342 -8.3886 -8.3886 2.6951 3.0194 3.0194 3.3852 3.6391 3.6391 5343 3.8049 3.9313 4.0603 4.0603 4.7443 4.8848 4.8848 6.6495 5344 6.6525 6.6525 16.0768 16.0768 16.1222 16.5088 18.8669 18.8669 5345 21.5259 22.4290 22.4290 28.7298 29.4917 29.4917 31.2373 32.9525 5346 34.0976 34.0976 35.3596 35.3596 35.8324 36.2460 37.3293 37.3294 5347 43.2092 43.2092 45.1468 45.8571 5348 5349 k = 0.1026 0.1776 0.0249 band energies (ev): 5350 5351 -114.1637-114.1637 -68.8278 -68.8278 -68.8187 -68.8185 -68.8185 -68.8178 5352 -8.3881 -8.3881 2.6995 3.0042 3.0042 3.3679 3.6196 3.6196 5353 3.8078 3.9301 4.0862 4.0862 4.7718 4.8772 4.8772 6.6279 5354 6.6819 6.6819 16.0831 16.0831 16.1312 16.5072 18.7774 18.7775 5355 21.5739 22.5256 22.5256 28.5132 29.4126 29.4126 31.3019 32.9071 5356 34.0620 34.0620 35.5192 35.5192 36.0332 36.3417 37.3059 37.3059 5357 43.2335 43.2335 44.9849 45.8505 5358 5359 k = 0.1026 0.1776 0.0285 band energies (ev): 5360 5361 -114.1637-114.1637 -68.8278 -68.8278 -68.8187 -68.8184 -68.8184 -68.8178 5362 -8.3876 -8.3876 2.7047 2.9872 2.9872 3.3489 3.6011 3.6011 5363 3.8109 3.9287 4.1121 4.1121 4.8028 4.8689 4.8689 6.6033 5364 6.7146 6.7146 16.0905 16.0905 16.1412 16.5052 18.6814 18.6814 5365 21.6292 22.6299 22.6299 28.2878 29.3258 29.3258 31.3603 32.8581 5366 34.0348 34.0348 35.6762 35.6763 36.2559 36.4484 37.2897 37.2897 5367 43.2592 43.2592 44.8079 45.8393 5368 5369 k = 0.1026 0.1776 0.0321 band energies (ev): 5370 5371 -114.1637-114.1637 -68.8278 -68.8278 -68.8186 -68.8184 -68.8184 -68.8178 5372 -8.3869 -8.3869 2.7105 2.9686 2.9686 3.3287 3.5838 3.5838 5373 3.8140 3.9272 4.1378 4.1378 4.8368 4.8600 4.8600 6.5758 5374 6.7500 6.7500 16.0990 16.0990 16.1523 16.5029 18.5805 18.5805 5375 21.6920 22.7401 22.7401 28.0564 29.2327 29.2327 31.4127 32.8065 5376 34.0151 34.0151 35.8238 35.8238 36.4975 36.5651 37.2878 37.2878 5377 43.2856 43.2856 44.6189 45.8213 5378 5379 k = 0.1026 0.1776 0.0356 band energies (ev): 5380 5381 -114.1637-114.1637 -68.8279 -68.8279 -68.8186 -68.8184 -68.8184 -68.8179 5382 -8.3863 -8.3863 2.7170 2.9486 2.9486 3.3074 3.5678 3.5678 5383 3.8173 3.9255 4.1629 4.1629 4.8505 4.8505 4.8737 6.5454 5384 6.7876 6.7876 16.1087 16.1087 16.1642 16.5004 18.4762 18.4762 5385 21.7621 22.8545 22.8546 27.8208 29.1347 29.1347 31.4594 32.7531 5386 34.0022 34.0022 35.9527 35.9527 36.6910 36.7552 37.3096 37.3096 5387 43.3120 43.3120 44.4212 45.7935 5388 5389 k = 0.1026 0.1776 0.0392 band energies (ev): 5390 5391 -114.1637-114.1637 -68.8279 -68.8279 -68.8186 -68.8184 -68.8184 -68.8179 5392 -8.3856 -8.3856 2.7242 2.9276 2.9276 3.2854 3.5532 3.5532 5393 3.8206 3.9236 4.1874 4.1874 4.8407 4.8407 4.9132 6.5124 5394 6.8268 6.8268 16.1196 16.1196 16.1769 16.4975 18.3699 18.3699 5395 21.8396 22.9719 22.9719 27.5826 29.0330 29.0330 31.5013 32.6986 5396 33.9956 33.9956 36.0527 36.0528 36.8252 37.0264 37.3652 37.3652 5397 43.3377 43.3378 44.2175 45.7522 5398 5399 k = 0.1026 0.1776 0.0427 band energies (ev): 5400 5401 -114.1637-114.1637 -68.8279 -68.8279 -68.8186 -68.8184 -68.8184 -68.8179 5402 -8.3849 -8.3849 2.7321 2.9059 2.9059 3.2627 3.5400 3.5400 5403 3.8239 3.9215 4.2111 4.2111 4.8306 4.8306 4.9550 6.4768 5404 6.8672 6.8672 16.1318 16.1318 16.1902 16.4942 18.2628 18.2629 5405 21.9243 23.0908 23.0908 27.3432 28.9289 28.9289 31.5389 32.6436 5406 33.9946 33.9946 36.1167 36.1167 36.9669 37.3083 37.4622 37.4622 5407 43.3621 43.3621 44.0107 45.6927 5408 5409 k = 0.1026 0.1776 0.0463 band energies (ev): 5410 5411 -114.1637-114.1637 -68.8279 -68.8279 -68.8186 -68.8184 -68.8184 -68.8179 5412 -8.3842 -8.3842 2.7408 2.8839 2.8839 3.2396 3.5282 3.5282 5413 3.8273 3.9193 4.2340 4.2340 4.8203 4.8203 4.9989 6.4388 5414 6.9082 6.9082 16.1453 16.1453 16.2039 16.4906 18.1560 18.1560 5415 22.0164 23.2101 23.2102 27.1034 28.8236 28.8236 31.5730 32.5886 5416 33.9986 33.9986 36.1438 36.1438 37.1154 37.5983 37.6011 37.6011 5417 43.3845 43.3845 43.8035 45.6103 5418 5419 k = 0.1026 0.1776 0.0499 band energies (ev): 5420 5421 -114.1637-114.1637 -68.8279 -68.8279 -68.8186 -68.8184 -68.8184 -68.8179 5422 -8.3834 -8.3834 2.7501 2.8619 2.8619 3.2163 3.5176 3.5176 5423 3.8307 3.9170 4.2558 4.2558 4.8100 4.8100 5.0447 6.3985 5424 6.9493 6.9493 16.1600 16.1600 16.2181 16.4866 18.0504 18.0504 5425 22.1158 23.3288 23.3288 26.8641 28.7181 28.7181 31.6042 32.5341 5426 34.0070 34.0070 36.1400 36.1400 37.2700 37.7764 37.7764 37.8934 5427 43.4044 43.4044 43.5987 45.5007 5428 5429 k = 0.1026 0.1776 0.0534 band energies (ev): 5430 5431 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8184 -68.8184 -68.8179 5432 -8.3827 -8.3827 2.7601 2.8403 2.8403 3.1928 3.5082 3.5082 5433 3.8342 3.9145 4.2767 4.2767 4.7997 4.7997 5.0923 6.3561 5434 6.9899 6.9899 16.1762 16.1762 16.2324 16.4822 17.9467 17.9467 5435 22.2223 23.4456 23.4456 26.6261 28.6136 28.6136 31.6333 32.4804 5436 34.0192 34.0192 36.1135 36.1135 37.4302 37.9797 37.9797 38.1904 5437 43.3996 43.4211 43.4211 45.3618 5438 5439 k = 0.1026 0.1776 0.0570 band energies (ev): 5440 5441 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8184 -68.8184 -68.8180 5442 -8.3820 -8.3820 2.7708 2.8192 2.8192 3.1694 3.4999 3.4999 5443 3.8377 3.9119 4.2964 4.2964 4.7895 4.7895 5.1413 6.3118 5444 7.0295 7.0295 16.1936 16.1936 16.2470 16.4774 17.8460 17.8460 5445 22.3360 23.5595 23.5595 26.3899 28.5111 28.5111 31.6607 32.4278 5446 34.0348 34.0348 36.0718 36.0718 37.5953 38.2036 38.2036 38.4854 5447 43.2101 43.4339 43.4339 45.1945 5448 5449 k = 0.1026 0.1776 0.0605 band energies (ev): 5450 5451 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8184 -68.8184 -68.8180 5452 -8.3813 -8.3813 2.7822 2.7991 2.7991 3.1461 3.4926 3.4926 5453 3.8412 3.9092 4.3150 4.3150 4.7795 4.7795 5.1917 6.2656 5454 7.0676 7.0676 16.2123 16.2123 16.2615 16.4722 17.7488 17.7488 5455 22.4567 23.6696 23.6696 26.1561 28.4116 28.4116 31.6870 32.3766 5456 34.0531 34.0531 36.0207 36.0207 37.7649 38.4420 38.4420 38.7732 5457 43.0350 43.4418 43.4418 45.0027 5458 5459 k = 0.1026 0.1776 0.0641 band energies (ev): 5460 5461 -114.1637-114.1637 -68.8279 -68.8279 -68.8185 -68.8184 -68.8184 -68.8180 5462 -8.3807 -8.3807 2.7801 2.7801 2.7943 3.1230 3.4862 3.4862 5463 3.8447 3.9064 4.3323 4.3323 4.7699 4.7699 5.2434 6.2178 5464 7.1037 7.1037 16.2321 16.2321 16.2760 16.4665 17.6560 17.6560 5465 22.5845 23.7746 23.7746 25.9252 28.3164 28.3164 31.7126 32.3268 5466 34.0735 34.0735 35.9645 35.9645 37.9382 38.6903 38.6903 39.0472 5467 42.8809 43.4431 43.4431 44.7931 5468 5469 k = 0.1026 0.1776 0.0677 band energies (ev): 5470 5471 -114.1637-114.1637 -68.8279 -68.8279 -68.8184 -68.8184 -68.8184 -68.8180 5472 -8.3801 -8.3801 2.7626 2.7626 2.8070 3.1001 3.4807 3.4807 5473 3.8483 3.9034 4.3484 4.3484 4.7607 4.7607 5.2960 6.1685 5474 7.1374 7.1374 16.2530 16.2530 16.2903 16.4603 17.5683 17.5683 5475 22.7191 23.8735 23.8735 25.6975 28.2263 28.2263 31.7378 32.2788 5476 34.0954 34.0954 35.9065 35.9065 38.1147 38.9447 38.9447 39.2983 5477 42.7568 43.4350 43.4350 44.5744 5478 5479 k = 0.1026 0.1776 0.0712 band energies (ev): 5480 5481 -114.1637-114.1637 -68.8279 -68.8279 -68.8184 -68.8184 -68.8184 -68.8181 5482 -8.3795 -8.3795 2.7466 2.7466 2.8205 3.0777 3.4759 3.4759 5483 3.8518 3.9004 4.3630 4.3630 4.7520 4.7520 5.3496 6.1178 5484 7.1681 7.1682 16.2744 16.2744 16.3044 16.4536 17.4866 17.4866 5485 22.8606 23.9650 23.9650 25.4734 28.1428 28.1428 31.7630 32.2325 5486 34.1180 34.1180 35.8491 35.8491 38.2936 39.2015 39.2015 39.5149 5487 42.6741 43.4124 43.4124 44.3582 5488 5489 k = 0.1026 0.1776 0.0748 band energies (ev): 5490 5491 -114.1637-114.1637 -68.8279 -68.8279 -68.8184 -68.8184 -68.8184 -68.8181 5492 -8.3790 -8.3790 2.7325 2.7325 2.8347 3.0556 3.4719 3.4719 5493 3.8554 3.8972 4.3762 4.3762 4.7440 4.7440 5.4039 6.0660 5494 7.1957 7.1957 16.2961 16.2961 16.3182 16.4464 17.4117 17.4117 5495 23.0087 24.0480 24.0480 25.2533 28.0668 28.0668 31.7885 32.1881 5496 34.1405 34.1405 35.7945 35.7945 38.4742 39.4567 39.4567 39.6836 5497 42.6460 43.3662 43.3662 44.1600 5498 5499 k = 0.1026 0.1776 0.0783 band energies (ev): 5500 5501 -114.1637-114.1637 -68.8279 -68.8279 -68.8184 -68.8184 -68.8184 -68.8181 5502 -8.3786 -8.3786 2.7202 2.7202 2.8496 3.0340 3.4686 3.4686 5503 3.8590 3.8940 4.3876 4.3876 4.7368 4.7368 5.4589 6.0131 5504 7.2196 7.2196 16.3174 16.3174 16.3317 16.4387 17.3447 17.3447 5505 23.1634 24.1211 24.1211 25.0374 27.9997 27.9997 31.8146 32.1456 5506 34.1620 34.1620 35.7446 35.7446 38.6552 39.7054 39.7054 39.7923 5507 42.6844 43.2848 43.2848 43.9986 5508 5509 k = 0.1026 0.1776 0.0819 band energies (ev): 5510 5511 -114.1637-114.1637 -68.8279 -68.8279 -68.8184 -68.8184 -68.8183 -68.8181 5512 -8.3782 -8.3782 2.7100 2.7100 2.8651 3.0129 3.4659 3.4659 5513 3.8626 3.8907 4.3973 4.3973 4.7307 4.7307 5.5143 5.9594 5514 7.2396 7.2396 16.3373 16.3373 16.3447 16.4305 17.2869 17.2869 5515 23.3245 24.1831 24.1831 24.8260 27.9427 27.9427 31.8414 32.1049 5516 34.1815 34.1815 35.7010 35.7010 38.8356 39.8356 39.9408 39.9408 5517 42.7944 43.1637 43.1637 43.8869 5518 5519 k = 0.1026 0.1776 0.0855 band energies (ev): 5520 5521 -114.1637-114.1637 -68.8279 -68.8279 -68.8184 -68.8184 -68.8183 -68.8182 5522 -8.3779 -8.3779 2.7020 2.7020 2.8814 2.9923 3.4639 3.4639 5523 3.8662 3.8873 4.4051 4.4051 4.7256 4.7256 5.5701 5.9048 5524 7.2555 7.2555 16.3549 16.3549 16.3573 16.4217 17.2396 17.2396 5525 23.4920 24.2328 24.2328 24.6194 27.8969 27.8969 31.8693 32.0661 5526 34.1981 34.1981 35.6652 35.6652 39.0135 39.8172 40.1529 40.1529 5527 42.9722 43.0190 43.0190 43.8203 5528 5529 k = 0.1026 0.1776 0.0890 band energies (ev): 5530 5531 -114.1637-114.1637 -68.8279 -68.8279 -68.8184 -68.8184 -68.8183 -68.8182 5532 -8.3777 -8.3777 2.6962 2.6962 2.8982 2.9722 3.4624 3.4624 5533 3.8698 3.8839 4.4107 4.4107 4.7219 4.7219 5.6261 5.8497 5534 7.2669 7.2669 16.3688 16.3688 16.3693 16.4123 17.2043 17.2043 5535 23.6655 24.2691 24.2691 24.4178 27.8633 27.8634 31.8983 32.0292 5536 34.2108 34.2108 35.6386 35.6386 39.1867 39.7478 40.3274 40.3274 5537 42.8806 42.8806 43.2067 43.7841 5538 5539 k = 0.1026 0.1776 0.0926 band energies (ev): 5540 5541 -114.1637-114.1637 -68.8279 -68.8279 -68.8184 -68.8184 -68.8183 -68.8182 5542 -8.3776 -8.3776 2.6927 2.6927 2.9158 2.9528 3.4615 3.4615 5543 3.8733 3.8804 4.4142 4.4142 4.7196 4.7196 5.6822 5.7942 5544 7.2739 7.2739 16.3777 16.3777 16.3809 16.4024 17.1824 17.1824 5545 23.8451 24.2214 24.2913 24.2913 27.8429 27.8429 31.9287 31.9940 5546 34.2187 34.2187 35.6221 35.6221 39.3522 39.6401 40.4452 40.4452 5547 42.7802 42.7802 43.4847 43.7664 5548 5549 k = 0.1026 0.1776 0.0962 band energies (ev): 5550 5551 -114.1637-114.1637 -68.8279 -68.8279 -68.8184 -68.8184 -68.8182 -68.8182 5552 -8.3775 -8.3775 2.6916 2.6916 2.9340 2.9340 3.4613 3.4613 5553 3.8769 3.8769 4.4153 4.4153 4.7188 4.7188 5.7383 5.7383 5554 7.2762 7.2762 16.3809 16.3809 16.3919 16.3919 17.1749 17.1749 5555 24.0304 24.0304 24.2987 24.2987 27.8360 27.8360 31.9606 31.9606 5556 34.2214 34.2214 35.6166 35.6166 39.5054 39.5054 40.4873 40.4873 5557 42.7433 42.7433 43.7611 43.7611 5558 5559 Writing output data file Zn2O2.save 5560 5561 init_run : 3.09s CPU 3.89s WALL ( 1 calls) 5562 electrons : 727.67s CPU 734.33s WALL ( 1 calls) 5563 5564 Called by init_run: 5565 wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) 5566 potinit : 0.40s CPU 0.46s WALL ( 1 calls) 5567 5568 Called by electrons: 5569 c_bands : 727.57s CPU 734.22s WALL ( 1 calls) 5570 v_of_rho : 0.10s CPU 0.10s WALL ( 1 calls) 5571 v_h : 0.05s CPU 0.05s WALL ( 1 calls) 5572 v_xc : 0.05s CPU 0.05s WALL ( 1 calls) 5573 5574 Called by c_bands: 5575 init_us_2 : 0.06s CPU 0.08s WALL ( 13 calls) 5576 cegterg : 502.23s CPU 505.84s WALL ( 23 calls) 5577 5578 Called by sum_band: 5579 5580 Called by *egterg: 5581 h_psi : 440.82s CPU 442.08s WALL ( 321 calls) 5582 g_psi : 2.40s CPU 2.39s WALL ( 285 calls) 5583 cdiaghg : 8.65s CPU 8.49s WALL ( 298 calls) 5584 cegterg:over : 35.38s CPU 35.07s WALL ( 285 calls) 5585 cegterg:upda : 26.85s CPU 27.37s WALL ( 285 calls) 5586 cegterg:last : 14.52s CPU 14.68s WALL ( 62 calls) 5587 5588 Called by h_psi: 5589 h_psi:vloc : 433.94s CPU 435.05s WALL ( 321 calls) 5590 h_psi:vnl : 4.45s CPU 4.48s WALL ( 321 calls) 5591 add_vuspsi : 2.21s CPU 2.36s WALL ( 321 calls) 5592 5593 General routines 5594 calbec : 2.24s CPU 2.12s WALL ( 321 calls) 5595 fft : 0.14s CPU 0.15s WALL ( 4 calls) 5596 fftw : 389.20s CPU 388.47s WALL ( 20060 calls) 5597 davcio : 0.00s CPU 0.35s WALL ( 13 calls) 5598 5599 Parallel routines 5600 fft_scatter : 98.79s CPU 93.85s WALL ( 20064 calls) 5601 5602 PWSCF : 12m13.21s CPU 12m56.11s WALL 5603 5604 5605 This run was terminated on: 17:25:43 26Jun2013 5606 5607=------------------------------------------------------------------------------= 5608 JOB DONE. 5609=------------------------------------------------------------------------------= 5610Application 2753398 resources: utime ~110298s, stime ~606s, Rss ~133628, inblocks ~856415, outblocks ~31508458 5611