Lines Matching refs:GREP
20 match ; Eigenvalue 1 at k-pt 1 ; GREP(WFN.out, "kpoint 1", 2, 1); -0.1283435360829054
21 match ; Eigenvalue 10 at k-pt 1 ; GREP(WFN.out, "kpoint 1", 2, 10); 1.3282472551260550
22 match ; Eigenvalue 18 at k-pt 2 ; GREP(WFN.out, "kpoint 2", 2, 18); 2.3490532646407310
27 match ; Eigenvalue 1 at k-pt 1 ; GREP(WFNq.out, "kpoint 1", 2, 1); -0.12788720338384…
28 match ; Eigenvalue 1 at k-pt 2 ; GREP(WFNq.out, "kpoint 2", 2, 1); -0.12879838317552…
29 match ; Eigenvalue 4 at k-pt 3 ; GREP(WFNq.out, "kpoint 3", 2, 4); 0.68008178114825…
34 match ; Eigenvalue 1 at k-pt 1 ; GREP(WFN_co.out, "kpoint 1", 2, 1); -0.18757839949530…
35 match ; Eigenvalue 1 at k-pt 3 ; GREP(WFN_co.out, "kpoint 3", 2, 1); 0.12232255603135…
36 match ; Eigenvalue 18 at k-pt 3 ; GREP(WFN_co.out, "kpoint 3", 2, 18); 2.28920138561102…
41 match ; Eigenvalue 1 at k-pt 1 ; GREP(WFN_fi.out, "kpoint 1", 2, 1); -0.16990645580097…
42 match ; Eigenvalue 4 at k-pt 1 ; GREP(WFN_fi.out, "kpoint 1", 2, 4); 0.72227369454995…
43 match ; Eigenvalue 6 at k-pt 7 ; GREP(WFN_fi.out, "kpoint 7", 2, 6); 1.05730907012314…
48 match ; Eigenvalue 1 at k-pt 2 ; GREP(WFNq_fi.out, "kpoint 2", 2, 1); -0.0628178651675…
49 match ; Eigenvalue 4 at k-pt 5 ; GREP(WFNq_fi.out, "kpoint 5", 2, 4); 0.5510534752750…
50 match ; Eigenvalue 3 at k-pt 20 ; GREP(WFNq_fi.out, "kpoint 20", 2, 3); 0.4468196210876…
58 match ; Max number of wfn G-vectors ; GREP(WFN_info.out, "Max number of wfn G-vectors", 6, 0); 171
59 match ; Real-space metric (0, 0) ; GREP(WFN_info.out, "Metric (real space", 1, 1); 52.6…
67 match ; Overlap ik 1, bands 1 1 ; GREP(dotproduct.out, "k-point 1:", 6, 4); 1.0
68 match ; Overlap ik 1, bands 3 2 ; GREP(dotproduct.out, "k-point 1:", 6, 21); 0.0
69 match ; Overlap ik 10, bands 4 4 ; GREP(dotproduct.out, "k-point 4:", 6, 35); 1.0
75 match ; Highest allowed number of bands ; GREP(degeneracy.out, "numbers of bands", 1, 3); 10
76 match ; Highest allowed number of valence bands ; GREP(degeneracy.out, "numbers of valence bands", …
77 match ; Highest allowed number of conduction bands ; GREP(degeneracy.out, "numbers of conduction ba…
107 match ; epsilon q1 ; GREP(eps_static_skip_chi.out, "q-pt 1: Head of Epsilon", 7, 0); 1…
109 match ; eps inv q1 ; GREP(eps_static_skip_chi.out, "q-pt 1: Head of Epsilon Inverse", 8, 0); 0…
110 match ; epsilon q2 ; GREP(eps_static_skip_chi.out, "q-pt 2: Head of Epsilon", 7, 0); 3…
111 match ; eps inv q2 ; GREP(eps_static_skip_chi.out, "q-pt 2: Head of Epsilon Inverse", 8, 0); 0…
112 match ; epsilon q3 ; GREP(eps_static_skip_chi.out, "q-pt 3: Head of Epsilon", 7, 0); 2…
113 match ; eps inv q3 ; GREP(eps_static_skip_chi.out, "q-pt 3: Head of Epsilon Inverse", 8, 0); 0…
114 match ; epsilonInv Head ; GREP(epsilon.log, "inverse epsilon", 7, 1); 0.06501987
135 match ; Re chi(q1,0,0) ; GREP(chi_converge.dat, "(qpt 1)", 2, 15) ; -0.71438266E-06
136 match ; Re chi(q1,Gmax,Gmax) ; GREP(chi_converge.dat, "(qpt 1)", 4, 15) ; -0.17070033E-02
152 match ; Re chi(q3,0,0) ; GREP(chi_converge.dat, "(qpt 3)", 2, 15) ; -0.28262692E-01
153 match ; Re chi(q3,Gmax,Gmax) ; GREP(chi_converge.dat, "(qpt 3)", 4, 15) ; -0.74153363E-03
168 match ; epsilon q1 ; GREP(eps_static_skip_chi_restart_1.out, "q-pt 1: Head of Epsilon", …
170 match ; eps inv q1 ; GREP(eps_static_skip_chi_restart_1.out, "q-pt 1: Head of Epsilon Inverse"…
171 match ; epsilon q2 ; GREP(eps_static_skip_chi_restart_1.out, "q-pt 2: Head of Epsilon", …
172 match ; eps inv q2 ; GREP(eps_static_skip_chi_restart_1.out, "q-pt 2: Head of Epsilon Inverse"…
186 match ; epsilon q3 ; GREP(eps_static_skip_chi_restart_2.out, "q-pt 3: Head of Epsilon", …
187 match ; eps inv q3 ; GREP(eps_static_skip_chi_restart_2.out, "q-pt 3: Head of Epsilon Inverse"…
200 match ; n2, k1 Exchange ; GREP(sigma_hp.log, "ik = 1", 4, 4); -14.234329
201 match ; n5, k2 Exchange ; GREP(sigma_hp.log, "ik = 2", 4, 7); -4.919106
213 match ; n2, k1 Exchange ; GREP(sigma_hp.log, "ik = 1", 4, 4); -14.234329
214 match ; n2, k1 Screened Exchange ; GREP(sigma_hp.log, "ik = 1", 5, 4); 9.436203
215 match ; n2, k1 Coulomb Hole ; GREP(sigma_hp.log, "ik = 1", 6, 4); -8.650859
216 match ; n2, k1 Linear QP Correction ; GREP(sigma_hp.log, "ik = 1", 10, 4); -3.413123
218 match ; n5, k2 Exchange ; GREP(sigma_hp.log, "ik = 2", 4, 7); -4.919106
219 match ; n5, k2 Screened Exchange ; GREP(sigma_hp.log, "ik = 2", 5, 7); 2.372129
220 match ; n5, k2 Coulomb Hole ; GREP(sigma_hp.log, "ik = 2", 6, 7); -7.929344
221 match ; n5, k2 Linear QP Correction ; GREP(sigma_hp.log, "ik = 2", 10, 7); 1.513581
229 match ; n1 x n1 k1 Exchange ; GREP(sigma_hp.log, "1 1 3 real", 5, 0); -16.677015
230 match ; n1 x n1 k1 Screened Exchange; GREP(sigma_hp.log, "1 1 3 real", 6, 0); 11.480658
231 match ; n1 x n1 k1 Coulomb Hole ; GREP(sigma_hp.log, "1 1 3 real", 7, 0); -8.423929
232 match ; n1 x n5 k1 Exchange ; GREP(sigma_hp.log, "1 5 3 real", 5, 0); -0.001542
233 match ; n1 x n5 k1 Screened Exchange; GREP(sigma_hp.log, "1 5 3 real", 6, 0); 0.001797
234 match ; n1 x n5 k1 Coulomb Hole ; GREP(sigma_hp.log, "1 5 3 real", 7, 0); -0.000133
235 match ; n2 x n5 k1 Exchange ; GREP(sigma_hp.log, "2 5 3 real", 5, 0); -1.542806
236 match ; n2 x n5 k1 Screened Exchange; GREP(sigma_hp.log, "2 5 3 real", 6, 0); 0.797644
237 match ; n2 x n5 k1 Coulomb Hole ; GREP(sigma_hp.log, "2 5 3 real", 7, 0); -0.530405
245 match ; Eigenvalue 1 Re ; GREP(offdiag.out, "Sig(Eo)", 2, 2); -13.862077
246 match ; Eigenvalue 1 Im ; GREP(offdiag.out, "Sig(Eo)", 3, 2); 0.000000
247 match ; Eigenvalue 5 Re ; GREP(offdiag.out, "Sig(Eo)", 2, 6); 1.653623
248 match ; Eigenvalue 5 Im ; GREP(offdiag.out, "Sig(Eo)", 3, 6); 0.000000
262 match ; k-point 1 z-coordinate ; GREP(sigma_hp.log, "ik = 1", 5, 0); 0.000000
263 match ; n2, k1 Initial Eigenvalue ; GREP(sigma_hp.log, "ik = 1", 2, 4); 10.035862
264 match ; n2, k1 Exchange ; GREP(sigma_hp.log, "ik = 1", 4, 4); -14.234668
265 match ; n2, k1 Screened Exchange ; GREP(sigma_hp.log, "ik = 1", 5, 4); 9.582573
266 match ; n2, k1 Coulomb Hole ; GREP(sigma_hp.log, "ik = 1", 11, 4); -6.836764
267 match ; n2, k1 CH + Static Remainder; GREP(sigma_hp.log, "ik = 1", 6, 4); -7.628986
268 match ; n2, k1 Linear QP Correction ; GREP(sigma_hp.log, "ik = 1", 10, 4); 0.163878
269 match ; n2, k1 Znk ; GREP(sigma_hp.log, "ik = 1", 15, 4); 0.803837
273 match ; n1 x n1 k1 Exchange ; GREP(sigma_hp.log, "1 1 1 real", 5, 0); -17.224976
274 match ; n1 x n1 k1 Screened Exchange; GREP(sigma_hp.log, "1 1 1 real", 6, 0); 12.367894
275 match ; n1 x n1 k1 Coulomb Hole ; GREP(sigma_hp.log, "1 1 1 real", 10, 0); -6.360950
277 match ; n1 x n8 k1 Exchange ; GREP(sigma_hp.log, "1 8 1 real", 5, 0); 0.000026
278 match ; n1 x n8 k1 Screened Exchange; GREP(sigma_hp.log, "1 8 1 real", 6, 0); 0.003215
279 match ; n1 x n8 k1 Coulomb Hole ; GREP(sigma_hp.log, "1 8 1 real", 10, 0); -0.000765
282 match ; n2 x n1 k1 Exchange ; GREP(sigma_hp.log, "2 1 2 real", 5, 0); 0.000000
283 match ; n2 x n1 k1 Screened Exchange; GREP(sigma_hp.log, "2 1 2 real", 6, 0); 0.000000
284 match ; n2 x n1 k1 Coulomb Hole ; GREP(sigma_hp.log, "2 1 2 real", 10, 0); 0.000000
286 match ; k-point 2 z-coordinate ; GREP(sigma_hp.log, "ik = 2", 5, 0); 0.500000
287 match ; n5, k2 Initial Eigenvalue ; GREP(sigma_hp.log, "ik = 2", 2, 7); 11.989902
288 match ; n5, k2 Exchange ; GREP(sigma_hp.log, "ik = 2", 4, 7); -4.919330
289 match ; n5, k2 Screened Exchange ; GREP(sigma_hp.log, "ik = 2", 5, 7); 2.770033
290 match ; n5, k2 Coulomb Hole ; GREP(sigma_hp.log, "ik = 2", 11, 7); -6.456372
291 match ; n5, k2 CH + Static Remainder; GREP(sigma_hp.log, "ik = 2", 6, 7); -7.200217
292 match ; n5, k2 Linear QP Correction ; GREP(sigma_hp.log, "ik = 2", 10, 7); 4.516284
301 match ; number of symmetries ; GREP(sig2wan.out, "nsym = ", 3, 0) ; 48
303 match ; eigenvalue band 2 k 2 ; GREP(Si.eig, "2 2 ", 3, 0) ; -5.975508000000
304 match ; eigenvalue band 3 k 4 ; GREP(Si.eig, "3 4 ", 3, 0) ; -0.821639000000
305 match ; eigenvalue band 1 k 6 ; GREP(Si.eig, "1 6 ", 3, 0) ; -7.253629000000
316 match ; Norm of head (res); GREP(kernel_res.out, " - Head :", 4); 2.3132138684155E+0001
317 match ; Norm of wing (res); GREP(kernel_res.out, " - Wing :", 4); 3.3151235078540E+0000
318 match ; Norm of body (res); GREP(kernel_res.out, " - Body :", 4); 2.7187084608215E+0001
319 match ; Norm of x (res); GREP(kernel_res.out, " - X :", 4); 2.9710126990925E+0001
357 match ; Number of eigenvalues ; GREP(eigenvalues.dat, "# neig = ", 4); 864
368 match ; Sum rule ; GREP(absp.out, "Sum rule (BSE)", 5); 0.88770513193490552
378 match ; Number of eigenvalues ; GREP(eigenvalues.dat, "# neig = ", 4); 864
389 match ; Sum rule ; GREP(absp_mom.out, "Sum rule (BSE)", 5); 0.88655632851108246
397 match ; Number of eigenvalues ; GREP(eigenvalues.dat, "# neig = ", 4); 864
408 match ; Sum rule ; GREP(absp_mom_ca.out, "Sum rule (BSE)", 5); 0.88655632851108246
415 match ; Static epsilon 1 ; GREP(absorption_eh.dat, " 0.000000000 ", 3); 15.632659506
416 match ; Peak epsilon 2 ; GREP(absorption_eh.dat, " 3.850000000 ", 2); 43.276848310
417 match ; Peak epsilon 1 ; GREP(absorption_eh.dat, " 3.850000000 ", 3); -1.139756049
477 match ; Re eps q1 ; GREP(eps_ff.out, "q-pt 1: Head of Epsilon", 7, 0); 7.475…
479 match ; Im eps q1 ; GREP(eps_ff.out, "q-pt 1: Head of Epsilon", 8, 0); 0.0
480 match ; Re epsinv q1 ; GREP(eps_ff.out, "q-pt 1: Head of Epsilon Inverse", 8, 0); 0.143…
481 match ; Im epsinv q1 ; GREP(eps_ff.out, "q-pt 1: Head of Epsilon Inverse", 9, 0); 0.0
497 match ; n2, k1 Initial Eigenvalue ; GREP(sigma_hp.log, "ik = 1", 2, 6); 10.035862
498 match ; n2, k1 Exchange ; GREP(sigma_hp.log, "ik = 1", 4, 6); -14.234668
499 match ; n2, k1 Screened Exchange ; GREP(sigma_hp.log, "ik = 1", 5, 6); 8.725202
500 match ; n2, k1 Coulomb Hole ; GREP(sigma_hp.log, "ik = 1", 13, 6); -4.93979
501 match ; n2, k1 Imag SX ; GREP(sigma_hp.log, "ik = 1", 1, 7); 1.329838
502 match ; n2, k1 Imag CH ; GREP(sigma_hp.log, "ik = 1", 2, 7); -2.277567
506 match ; n1 x n1 k1 Exchange ; GREP(sigma_hp.log, "1 1 1 real", 5, 0); -17.224976
507 match ; n1 x n1 k1 Screened Exchange; GREP(sigma_hp.log, "1 1 1 real", 6, 0); 11.399726
508 match ; n1 x n1 k1 Coulomb Hole ; GREP(sigma_hp.log, "1 1 1 real", 10, 0); -5.663441
509 match ; n1 x n1 k1 Imag SX ; GREP(sigma_hp.log, "1 1 1 imag", 6, 0); 6.998630
510 match ; n1 x n1 k1 Imag CH ; GREP(sigma_hp.log, "1 1 1 imag", 7, 0); -6.056120
512 match ; n1 x n8 k1 Exchange ; GREP(sigma_hp.log, "1 8 1 real", 5, 0); 0.000026
513 match ; n1 x n8 k1 Screened Exchange; GREP(sigma_hp.log, "1 8 1 real", 6, 0); 0.002917
514 match ; n1 x n8 k1 Coulomb Hole ; GREP(sigma_hp.log, "1 8 1 real", 10, 0); -0.001523
515 match ; n1 x n8 k1 Imag SX ; GREP(sigma_hp.log, "1 8 1 imag", 6, 0); 0.000000
516 match ; n1 x n8 k1 Imag CH ; GREP(sigma_hp.log, "1 8 1 imag", 7, 0); -0.000653
519 match ; n2 x n1 k1 Exchange ; GREP(sigma_hp.log, "2 1 2 real", 5, 0); 0.000000
520 match ; n2 x n1 k1 Screened Exchange; GREP(sigma_hp.log, "2 1 2 real", 6, 0); 0.000000
521 match ; n2 x n1 k1 Imag SX ; GREP(sigma_hp.log, "2 1 2 imag", 6, 0); 0.000000
522 match ; n2 x n1 k1 Coulomb Hole ; GREP(sigma_hp.log, "2 1 2 real", 10, 0); 0.000000
523 match ; n2 x n1 k1 Imag CH ; GREP(sigma_hp.log, "2 1 2 imag", 7, 0); 0.000000
533 match ; Re eps q1 ; GREP(eps_ff_parallel_freq.out, "q-pt 1: Head of Epsilon", …
535 match ; Im eps q1 ; GREP(eps_ff_parallel_freq.out, "q-pt 1: Head of Epsilon", …
536 match ; Re epsinv q1 ; GREP(eps_ff_parallel_freq.out, "q-pt 1: Head of Epsilon Inverse",…
537 match ; Im epsinv q1 ; GREP(eps_ff_parallel_freq.out, "q-pt 1: Head of Epsilon Inverse",…
553 match ; Re eps q1 ; GREP(eps_ff_elements.out, "q-pt 1: Head of Epsilon", 7, …
555 match ; Im eps q1 ; GREP(eps_ff_elements.out, "q-pt 1: Head of Epsilon", 8, …
556 match ; Re epsinv q1 ; GREP(eps_ff_elements.out, "q-pt 1: Head of Epsilon Inverse", 8, …
557 match ; Im epsinv q1 ; GREP(eps_ff_elements.out, "q-pt 1: Head of Epsilon Inverse", 9, …
573 match ; Re eps q1 ; GREP(eps_ff_parallel_freq_elements.out, "q-pt 1: Head of Epsilon"…
575 match ; Im eps q1 ; GREP(eps_ff_parallel_freq_elements.out, "q-pt 1: Head of Epsilon"…
576 match ; Re epsinv q1 ; GREP(eps_ff_parallel_freq_elements.out, "q-pt 1: Head of Epsilon …
577 match ; Im epsinv q1 ; GREP(eps_ff_parallel_freq_elements.out, "q-pt 1: Head of Epsilon …
593 match ; Re eps q1 ; GREP(eps_ff1_elements.out, "q-pt 1: Head of Epsilon", 7,…
595 match ; Im eps q1 ; GREP(eps_ff1_elements.out, "q-pt 1: Head of Epsilon", 8,…
596 match ; Re epsinv q1 ; GREP(eps_ff1_elements.out, "q-pt 1: Head of Epsilon Inverse", 8,…
597 match ; Im epsinv q1 ; GREP(eps_ff1_elements.out, "q-pt 1: Head of Epsilon Inverse", 9,…
619 match ; Re eps q1 ; GREP(eps_cd.out, "q-pt 1: Head of Epsilon", 7, 0); 1.126…
621 match ; Im eps q1 ; GREP(eps_cd.out, "q-pt 1: Head of Epsilon", 8, 0); 0.0
622 match ; Re epsinv q1 ; GREP(eps_cd.out, "q-pt 1: Head of Epsilon Inverse", 8, 0); 9.648…
623 match ; Im epsinv q1 ; GREP(eps_cd.out, "q-pt 1: Head of Epsilon Inverse", 9, 0); 0.0
638 match ; n2, k1 Initial Eigenvalue ; GREP(sigma_hp.log, "ik = 1", 2, 6); 10.035862
639 match ; n2, k1 Exchange ; GREP(sigma_hp.log, "ik = 1", 4, 6); -14.234668
640 match ; n2, k1 Re Cor ; GREP(sigma_hp.log, "ik = 1", 8, 6); 2.089547
641 match ; n2, k1 Imag Cor ; GREP(sigma_hp.log, "ik = 1", 4, 7); 0.000000
642 match ; n2, k1 Eqp0 ; GREP(sigma_hp.log, "ik = 1", 10, 6); -2.109259
645 match ; n3, k1 Initial Eigenvalue ; GREP(sigma_hp.log, "ik = 1", 2, 8); 10.035862
646 match ; n3, k1 Exchange ; GREP(sigma_hp.log, "ik = 1", 4, 8); -14.234668
647 match ; n3, k1 Re Cor ; GREP(sigma_hp.log, "ik = 1", 8, 8); 2.089547
648 match ; n3, k1 Imag Cor ; GREP(sigma_hp.log, "ik = 1", 4, 9); 0.0
649 match ; n3, k1 Eqp0 ; GREP(sigma_hp.log, "ik = 1", 10, 8); -2.109259
651 match ; n5, k1 Initial Eigenvalue ; GREP(sigma_hp.log, "ik = 1", 2, 12); 13.331588
652 match ; n5, k1 Exchange ; GREP(sigma_hp.log, "ik = 1", 4, 12); -4.938779
653 match ; n5, k1 Re Cor ; GREP(sigma_hp.log, "ik = 1", 8, 12); -4.179383
654 match ; n5, k1 Imag Cor ; GREP(sigma_hp.log, "ik = 1", 4, 13); -0.037363
655 match ; n5, k1 Eqp0 ; GREP(sigma_hp.log, "ik = 1", 10, 12); 4.213426
659 match ; n1 x n8 k1 Exchange ; GREP(sigma_hp.log, "1 1 1 real", 5, 0); -17.224976
660 match ; n1 x n8 k1 Re Cor ; GREP(sigma_hp.log, "1 1 1 real", 8, 0); -11.639131
661 match ; n1 x n8 k1 Imag Cor ; GREP(sigma_hp.log, "1 1 1 imag", 8, 0); 1.386347
663 match ; n1 x n8 k1 Exchange ; GREP(sigma_hp.log, "1 8 1 real", 5, 0); 0.000026
664 match ; n1 x n8 k1 Re Cor ; GREP(sigma_hp.log, "1 8 1 real", 8, 0); 0.001612
665 match ; n1 x n8 k1 Imag Cor ; GREP(sigma_hp.log, "1 8 1 imag", 8, 0); -0.000001
668 match ; n2 x n1 k1 Re Cor ; GREP(sigma_hp.log, "2 1 2 real", 8, 0); 0.0
670 match ; n2 x n1 k1 Imag Cor ; GREP(sigma_hp.log, "2 1 2 imag", 8, 0); 0.0
671 match ; n2 x n1 k1 Exchange ; GREP(sigma_hp.log, "2 1 2 real", 5, 0); 0.0
681 match ; Re eps q1 ; GREP(eps_cd_parallel_freq.out, "q-pt 1: Head of Epsilon", …
683 match ; Im eps q1 ; GREP(eps_cd_parallel_freq.out, "q-pt 1: Head of Epsilon", …
684 match ; Re epsinv q1 ; GREP(eps_cd_parallel_freq.out, "q-pt 1: Head of Epsilon Inverse",…
685 match ; Im epsinv q1 ; GREP(eps_cd_parallel_freq.out, "q-pt 1: Head of Epsilon Inverse",…
700 match ; Re eps q1 ; GREP(eps_cd_elements.out, "q-pt 1: Head of Epsilon", 7, …
702 match ; Im eps q1 ; GREP(eps_cd_elements.out, "q-pt 1: Head of Epsilon", 8, …
703 match ; Re epsinv q1 ; GREP(eps_cd_elements.out, "q-pt 1: Head of Epsilon Inverse", 8, …
704 match ; Im epsinv q1 ; GREP(eps_cd_elements.out, "q-pt 1: Head of Epsilon Inverse", 9, …
720 match ; Re eps q1 ; GREP(eps_cd_parallel_freq_elements.out, "q-pt 1: Head of Epsilon"…
722 match ; Im eps q1 ; GREP(eps_cd_parallel_freq_elements.out, "q-pt 1: Head of Epsilon"…
723 match ; Re epsinv q1 ; GREP(eps_cd_parallel_freq_elements.out, "q-pt 1: Head of Epsilon …
724 match ; Im epsinv q1 ; GREP(eps_cd_parallel_freq_elements.out, "q-pt 1: Head of Epsilon …