*********************************************************** *********************************************************** This calculation was performed by OpenMX Ver. 3.7.33 using 1 MPI processes and 1 OpenMP threads. Sun Mar 27 18:28:40 2016 *********************************************************** *********************************************************** # # File Name # System.CurrrentDirectory ./ # default=./ System.Name Ndia2 level.of.stdout 1 # default=1 (1-3) level.of.fileout 1 # default=1 (0-2) # # Definition of Atomic Species # Species.Number 1 # # Atoms # Atoms.Number 2 Atoms.SpeciesAndCoordinates.Unit Ang # Ang|AU Atoms.UnitVectors.Unit Ang # Ang|AU # # SCF or Electronic System # scf.XcType LDA # LDA|LSDA-CA|LSDA-PW|GGA-PBE scf.SpinPolarization off # On|Off|NC scf.ElectronicTemperature 300.0 # default=300 (K) scf.energycutoff 100.0 # default=150 (Ry) scf.maxIter 100 # default=40 scf.EigenvalueSolver band # DC|GDC|Cluster|Band scf.Kgrid 7 7 7 # means n1 x n2 x n3 scf.Mixing.Type rmm-diisk # Simple|Rmm-Diis|Gr-Pulay|Kerker|Rmm-Diisk scf.Init.Mixing.Weight 0.30 # default=0.30 scf.Min.Mixing.Weight 0.001 # default=0.001 scf.Max.Mixing.Weight 0.700 # default=0.40 scf.Mixing.History 7 # default=5 scf.Mixing.StartPulay 5 # default=6 scf.criterion 1.0e-10 # default=1.0e-6 (Hartree) scf.lapack.dste dstevx # dstegr|dstedc|dstevx, default=dstevx # # MD or Geometry Optimization # MD.Type nomd # Nomd|Opt|NVE|NVT_VS|NVT_NH MD.maxIter 1 # default=1 MD.TimeStep 1 # default=0.5 (fs) MD.Opt.criterion 1.0e-5 # default=1.0e-4 (Hartree/bohr) *********************************************************** *********************************************************** Required cutoff energy (Ryd) for 3D-grids = 100.0000 Used cutoff energy (Ryd) for 3D-grids = 94.2076, 94.2076, 94.2076 Num. of grids of a-, b-, and c-axes = 12, 12, 12 Num.Grid1. 12 Num.Grid2. 12 Num.Grid3. 12 Cell_Volume = 76.117849485348 (Bohr^3) GridVol = 0.044049681415 (Bohr^3) Cell vectors (bohr) of the grid cell (gtv) gtv_a = 0.280309354973, 0.280309354973, 0.000000000000 gtv_b = 0.280309354973, 0.000000000000, 0.280309354973 gtv_c = 0.000000000000, 0.280309354973, 0.280309354973 |gtv_a| = 0.396417291462 |gtv_b| = 0.396417291462 |gtv_c| = 0.396417291462 *********************************************************** *********************************************************** *********************************************************** *********************************************************** SCF history at MD= 1 *********************************************************** *********************************************************** SCF= 1 NormRD= 1.000000000000 Uele= -2.927911640158 SCF= 2 NormRD= 0.391828418766 Uele= -3.043566546201 SCF= 3 NormRD= 0.255861278984 Uele= -3.132669394093 SCF= 4 NormRD= 0.101040787511 Uele= -3.232312838822 SCF= 5 NormRD= 0.031773981686 Uele= -3.276602992258 SCF= 6 NormRD= 0.000048918029 Uele= -3.297164674912 SCF= 7 NormRD= 0.000004964813 Uele= -3.297183940510 SCF= 8 NormRD= 0.000000190473 Uele= -3.297188362088 SCF= 9 NormRD= 0.000000008008 Uele= -3.297188338968 SCF= 10 NormRD= 0.000000000315 Uele= -3.297188339469 SCF= 11 NormRD= 0.000000000004 Uele= -3.297188339521 ******************************************************* Total energy (Hartree) at MD = 1 ******************************************************* Uele. -3.297188339521 Ukin. 7.708092539789 UH0. -267.084357403855 UH1. 0.071892262108 Una. -5.252376733805 Unl. -0.788716356599 Uxc0. -1.905513137826 Uxc1. -1.905513137826 Ucore. 257.584823537260 Uhub. 0.000000000000 Ucs. 0.000000000000 Uzs. 0.000000000000 Uzo. 0.000000000000 Uef. 0.000000000000 UvdW 0.000000000000 Utot. -11.571668430754 Note: Utot = Ukin+UH0+UH1+Una+Unl+Uxc0+Uxc1+Ucore+Uhub+Ucs+Uzs+Uzo+Uef+UvdW Uene: band energy Ukin: kinetic energy UH0: electric part of screened Coulomb energy UH1: difference electron-electron Coulomb energy Una: neutral atom potential energy Unl: non-local potential energy Uxc0: exchange-correlation energy for alpha spin Uxc1: exchange-correlation energy for beta spin Ucore: core-core Coulomb energy Uhub: LDA+U energy Ucs: constraint energy for spin orientation Uzs: Zeeman term for spin magnetic moment Uzo: Zeeman term for orbital magnetic moment Uef: electric energy by electric field UvdW: semi-empirical vdW energy (see also PRB 72, 045121(2005) for the energy contributions) Chemical potential (Hartree) 0.000000000000 *********************************************************** *********************************************************** Eigenvalues (Hartree) of SCF KS-eq. *********************************************************** *********************************************************** Chemical Potential (Hatree) = 0.00000000000000 Number of States = 7.99999999999997 Eigenvalues Up-spin Down-spin kloop=0 k1= -0.42857 k2= -0.42857 k3= -0.42857 1 -0.68816911995055 -0.68816911995055 2 -0.52490877271437 -0.52490877271437 3 -0.22012528645660 -0.22012528645660 4 -0.15614427849657 -0.15614427849657 5 0.22843744909064 0.22843744909064 6 0.30970573456846 0.30970573456846 7 0.41546164283407 0.41546164283407 8 0.64134765238657 0.64134765238657 kloop=1 k1= -0.42857 k2= -0.42857 k3= -0.28571 1 -0.70366338754182 -0.70366338754182 2 -0.46703395833739 -0.46703395833739 3 -0.25740049333518 -0.25740049333518 4 -0.20344927844368 -0.20344927844368 5 0.27619018931474 0.27619018931474 6 0.32904620527951 0.32904620527951 7 0.43581563038182 0.43581563038182 8 0.58483271344456 0.58483271344456 kloop=2 k1= -0.42857 k2= -0.42857 k3= -0.14286 1 -0.68232380868268 -0.68232380868268 2 -0.40276921477178 -0.40276921477178 3 -0.33591819948930 -0.33591819948930 4 -0.25988112519985 -0.25988112519985 5 0.22010432860922 0.22010432860922 6 0.41068786003981 0.41068786003981 7 0.44910081717542 0.44910081717542 8 0.55175320129693 0.55175320129693 kloop=3 k1= -0.42857 k2= -0.42857 k3= 0.00000 1 -0.62558899893469 -0.62558899893469 2 -0.46182344527603 -0.46182344527603 3 -0.32466782771695 -0.32466782771695 4 -0.28860726167962 -0.28860726167962 5 0.18301181287996 0.18301181287996 6 0.31352207244767 0.31352207244767 7 0.51180009901408 0.51180009901408 8 0.60058156258039 0.60058156258039 kloop=4 k1= -0.42857 k2= -0.42857 k3= 0.14286 1 -0.55416249877682 -0.55416249877682 2 -0.52639606103270 -0.52639606103270 3 -0.38094466527872 -0.38094466527872 4 -0.28402324556948 -0.28402324556948 5 0.28278189084774 0.28278189084774 6 0.30802947960144 0.30802947960144 7 0.50186711421740 0.50186711421740 8 0.60898052558062 0.60898052558062 kloop=5 k1= -0.42857 k2= -0.42857 k3= 0.28572 1 -0.59536920116163 -0.59536920116163 2 -0.51304673268795 -0.51304673268795 3 -0.38816876155311 -0.38816876155311 4 -0.24675065713880 -0.24675065713880 5 0.29408477024850 0.29408477024850 6 0.41995662826574 0.41995662826574 7 0.48360050650537 0.48360050650537 8 0.58348208564272 0.58348208564272 kloop=6 k1= -0.42857 k2= -0.42857 k3= 0.42857 1 -0.64448561171123 -0.64448561171123 2 -0.54468406894474 -0.54468406894474 3 -0.28529986126772 -0.28529986126772 4 -0.18686863440107 -0.18686863440107 5 0.27961747281440 0.27961747281440 6 0.32508498449147 0.32508498449147 7 0.47141606305803 0.47141606305803 8 0.62538956553737 0.62538956553737 kloop=7 k1= -0.42857 k2= -0.28572 k3= -0.42857 1 -0.70266985014373 -0.70266985014373 2 -0.47210123511370 -0.47210123511370 3 -0.25043624194588 -0.25043624194588 4 -0.20054764471630 -0.20054764471630 5 0.21397605794237 0.21397605794237 6 0.35571198616673 0.35571198616673 7 0.45516976056962 0.45516976056962 8 0.61546641694867 0.61546641694867 kloop=8 k1= -0.42857 k2= -0.28572 k3= -0.28571 1 -0.73487363063615 -0.73487363063615 2 -0.42106559729795 -0.42106559729795 3 -0.27009607752664 -0.27009607752664 4 -0.16870205527511 -0.16870205527511 5 0.22627959449418 0.22627959449418 6 0.36715551807574 0.36715551807574 7 0.40156140866452 0.40156140866452 8 0.58705169569213 0.58705169569213 kloop=9 k1= -0.42857 k2= -0.28572 k3= -0.14286 1 -0.72799362171359 -0.72799362171359 2 -0.36487908687629 -0.36487908687629 3 -0.32293882021232 -0.32293882021232 4 -0.21551595950238 -0.21551595950238 5 0.22519507395802 0.22519507395802 6 0.37832881387257 0.37832881387257 7 0.47472890161488 0.47472890161488 8 0.51285623506866 0.51285623506866 kloop=10 k1= -0.42857 k2= -0.28572 k3= 0.00000 1 -0.68280038381638 -0.68280038381638 2 -0.40455258332905 -0.40455258332905 3 -0.30277563604225 -0.30277563604225 4 -0.29137103760148 -0.29137103760148 5 0.18398442087866 0.18398442087866 6 0.40453554775506 0.40453554775506 7 0.49041949893199 0.49041949893199 8 0.54289518932596 0.54289518932596 kloop=11 k1= -0.42857 k2= -0.28572 k3= 0.14286 1 -0.60631403199981 -0.60631403199981 2 -0.46668372941749 -0.46668372941749 3 -0.36607752129838 -0.36607752129838 4 -0.31923407887119 -0.31923407887119 5 0.28400496290870 0.28400496290870 6 0.38892492651075 0.38892492651075 7 0.48864738276286 0.48864738276286 8 0.57904096946515 0.57904096946515 kloop=12 k1= -0.42857 k2= -0.28572 k3= 0.28572 1 -0.55013490575209 -0.55013490575209 2 -0.52116535684075 -0.52116535684075 3 -0.41301766987876 -0.41301766987876 4 -0.30255759696379 -0.30255759696379 5 0.36128914890864 0.36128914890864 6 0.42047602321505 0.42047602321505 7 0.48243328652316 0.48243328652316 8 0.57285784098152 0.57285784098152 kloop=13 k1= -0.42857 k2= -0.28572 k3= 0.42857 1 -0.63638439185843 -0.63638439185843 2 -0.49656880001513 -0.49656880001513 3 -0.34383877971435 -0.34383877971435 4 -0.24684534399124 -0.24684534399124 5 0.29396803200998 0.29396803200998 6 0.36723418131043 0.36723418131043 7 0.52445470294677 0.52445470294677 8 0.59347298713948 0.59347298713948 kloop=14 k1= -0.42857 k2= -0.14286 k3= -0.42857 1 -0.68131124582460 -0.68131124582460 2 -0.42407430245495 -0.42407430245495 3 -0.29614650184901 -0.29614650184901 4 -0.27328958539689 -0.27328958539689 5 0.18003124880577 0.18003124880577 6 0.36714522250896 0.36714522250896 7 0.53261541318064 0.53261541318064 8 0.56635488025080 0.56635488025080 kloop=15 k1= -0.42857 k2= -0.14286 k3= -0.28571 1 -0.72811103661224 -0.72811103661224 2 -0.37045845835396 -0.37045845835396 3 -0.31817982939734 -0.31817982939734 4 -0.21165756771165 -0.21165756771165 5 0.20693631485534 0.20693631485534 6 0.40523053247721 0.40523053247721 7 0.44344740974106 0.44344740974106 8 0.53538340836463 0.53538340836463 kloop=16 k1= -0.42857 k2= -0.14286 k3= -0.14286 1 -0.73640913791855 -0.73640913791855 2 -0.40386773203253 -0.40386773203253 3 -0.29358779259703 -0.29358779259703 4 -0.15999935151151 -0.15999935151151 5 0.20877823569894 0.20877823569894 6 0.36852450400285 0.36852450400285 7 0.41629649125569 0.41629649125569 8 0.54032352007371 0.54032352007371 kloop=17 k1= -0.42857 k2= -0.14286 k3= 0.00000 1 -0.70622226757338 -0.70622226757338 2 -0.45347975359514 -0.45347975359514 3 -0.26412631573786 -0.26412631573786 4 -0.20803670690599 -0.20803670690599 5 0.20524456674506 0.20524456674506 6 0.36824731473612 0.36824731473612 7 0.44457158802962 0.44457158802962 8 0.54901799877947 0.54901799877947 kloop=18 k1= -0.42857 k2= -0.14286 k3= 0.14286 1 -0.64384082591515 -0.64384082591515 2 -0.47270617740004 -0.47270617740004 3 -0.34636524658457 -0.34636524658457 4 -0.26760655141665 -0.26760655141665 5 0.27921773981455 0.27921773981455 6 0.39432151893263 0.39432151893263 7 0.52016066303831 0.52016066303831 8 0.52258508385062 0.52258508385062 kloop=19 k1= -0.42857 k2= -0.14286 k3= 0.28572 1 -0.56511354015273 -0.56511354015273 2 -0.50170931056120 -0.50170931056120 3 -0.40741485680470 -0.40741485680470 4 -0.31419154821250 -0.31419154821250 5 0.32250802276648 0.32250802276648 6 0.44711401403054 0.44711401403054 7 0.48336567438893 0.48336567438893 8 0.56253188981417 0.56253188981417 kloop=20 k1= -0.42857 k2= -0.14286 k3= 0.42857 1 -0.60172780489170 -0.60172780489170 2 -0.48564440168586 -0.48564440168586 3 -0.35281303022005 -0.35281303022005 4 -0.31368771518897 -0.31368771518897 5 0.26444478796815 0.26444478796815 6 0.36146703125842 0.36146703125842 7 0.56258256605084 0.56258256605084 8 0.56913671112607 0.56913671112607 kloop=21 k1= -0.42857 k2= -0.00000 k3= -0.42857 1 -0.62546231302305 -0.62546231302305 2 -0.46945014296259 -0.46945014296259 3 -0.30476235834072 -0.30476235834072 4 -0.29607844241651 -0.29607844241651 5 0.17523816872925 0.17523816872925 6 0.27731984722873 0.27731984722873 7 0.57208884876016 0.57208884876016 8 0.57957922005241 0.57957922005241 kloop=22 k1= -0.42857 k2= -0.00000 k3= -0.28571 1 -0.68413976998161 -0.68413976998161 2 -0.39182193169118 -0.39182193169118 3 -0.33864641556391 -0.33864641556391 4 -0.26529173580669 -0.26529173580669 5 0.19659437144202 0.19659437144202 6 0.38256658333233 0.38256658333233 7 0.50570013984322 0.50570013984322 8 0.51839709488080 0.51839709488080 kloop=23 k1= -0.42857 k2= -0.00000 k3= -0.14286 1 -0.70730081899961 -0.70730081899961 2 -0.44879670230870 -0.44879670230870 3 -0.27448974673709 -0.27448974673709 4 -0.20299048065945 -0.20299048065945 5 0.22526475168294 0.22526475168294 6 0.38634101608349 0.38634101608349 7 0.41590286056348 0.41590286056348 8 0.52631987737308 0.52631987737308 kloop=24 k1= -0.42857 k2= -0.00000 k3= 0.00000 1 -0.69494258459012 -0.69494258459012 2 -0.50499440661891 -0.50499440661891 3 -0.23712915277678 -0.23712915277678 4 -0.15565976730658 -0.15565976730658 5 0.19983930956599 0.19983930956599 6 0.34223518394861 0.34223518394861 7 0.38285622670741 0.38285622670741 8 0.56908539203185 0.56908539203185 kloop=25 k1= -0.42857 k2= -0.00000 k3= 0.14286 1 -0.65641404816388 -0.65641404816388 2 -0.51905579800931 -0.51905579800931 3 -0.29588051916363 -0.29588051916363 4 -0.19421699842084 -0.19421699842084 5 0.23112811852954 0.23112811852954 6 0.38696911227099 0.38696911227099 7 0.44257950935379 0.44257950935379 8 0.55003592031286 0.55003592031286 kloop=26 k1= -0.42857 k2= -0.00000 k3= 0.28572 1 -0.60767694832571 -0.60767694832571 2 -0.48662591932606 -0.48662591932606 3 -0.39467253415076 -0.39467253415076 4 -0.25613188218668 -0.25613188218668 5 0.24172420497979 0.24172420497979 6 0.46128906239077 0.46128906239077 7 0.48583809900058 0.48583809900058 8 0.54593151848805 0.54593151848805 kloop=27 k1= -0.42857 k2= -0.00000 k3= 0.42857 1 -0.54832473158708 -0.54832473158708 2 -0.53880546512267 -0.53880546512267 3 -0.36306254621198 -0.36306254621198 4 -0.29277761381734 -0.29277761381734 5 0.22838319441832 0.22838319441832 6 0.30945381480665 0.30945381480665 7 0.56446993212612 0.56446993212612 8 0.59138937654371 0.59138937654371 kloop=28 k1= -0.42857 k2= 0.14286 k3= -0.42857 1 -0.55337100857422 -0.55337100857422 2 -0.53390035923385 -0.53390035923385 3 -0.35531434057220 -0.35531434057220 4 -0.30128005263728 -0.30128005263728 5 0.22322679678431 0.22322679678431 6 0.31043159380819 0.31043159380819 7 0.57303426306661 0.57303426306661 8 0.58370177094590 0.58370177094590 kloop=29 k1= -0.42857 k2= 0.14286 k3= -0.28571 1 -0.61148114278770 -0.61148114278770 2 -0.45374335401930 -0.45374335401930 3 -0.35159296553675 -0.35159296553675 4 -0.34257692632979 -0.34257692632979 5 0.29581453758010 0.29581453758010 6 0.35118419653222 0.35118419653222 7 0.50336320142228 0.50336320142228 8 0.56009664644054 0.56009664644054 kloop=30 k1= -0.42857 k2= 0.14286 k3= -0.14286 1 -0.64699990234351 -0.64699990234351 2 -0.46406202716729 -0.46406202716729 3 -0.33181185837338 -0.33181185837338 4 -0.29254076482156 -0.29254076482156 5 0.30678261968444 0.30678261968444 6 0.38083653120247 0.38083653120247 7 0.48799460559376 0.48799460559376 8 0.51442428603560 0.51442428603560 kloop=31 k1= -0.42857 k2= 0.14286 k3= 0.00000 1 -0.65732650018990 -0.65732650018990 2 -0.51833682281467 -0.51833682281467 3 -0.25550035851753 -0.25550035851753 4 -0.24297334360990 -0.24297334360990 5 0.24125340562522 0.24125340562522 6 0.37192407895758 0.37192407895758 7 0.43018700292307 0.43018700292307 8 0.55929733878659 0.55929733878659 kloop=32 k1= -0.42857 k2= 0.14286 k3= 0.14286 1 -0.65651169644375 -0.65651169644375 2 -0.51898535279079 -0.51898535279079 3 -0.29463066681359 -0.29463066681359 4 -0.19567022414445 -0.19567022414445 5 0.22669041843852 0.22669041843852 6 0.39986323236713 0.39986323236713 7 0.43225132708350 0.43225132708350 8 0.55081114966106 0.55081114966106 kloop=33 k1= -0.42857 k2= 0.14286 k3= 0.28572 1 -0.64450822280829 -0.64450822280829 2 -0.46742867738023 -0.46742867738023 3 -0.36711427348081 -0.36711427348081 4 -0.24738801534489 -0.24738801534489 5 0.26177375646714 0.26177375646714 6 0.45474671948297 0.45474671948297 7 0.48724905320366 0.48724905320366 8 0.51721059277969 0.51721059277969 kloop=34 k1= -0.42857 k2= 0.14286 k3= 0.42857 1 -0.60648025057228 -0.60648025057228 2 -0.47291740386899 -0.47291740386899 3 -0.35491943946850 -0.35491943946850 4 -0.32153922182120 -0.32153922182120 5 0.26525337454893 0.26525337454893 6 0.35856488177985 0.35856488177985 7 0.54812605049984 0.54812605049984 8 0.57003062164104 0.57003062164104 kloop=35 k1= -0.42857 k2= 0.28571 k3= -0.42857 1 -0.59599878295111 -0.59599878295111 2 -0.51934178071397 -0.51934178071397 3 -0.35972690765001 -0.35972690765001 4 -0.27050341486268 -0.27050341486268 5 0.23618877591962 0.23618877591962 6 0.41195147259053 0.41195147259053 7 0.51768332242280 0.51768332242280 8 0.60243989485455 0.60243989485455 kloop=36 k1= -0.42857 k2= 0.28571 k3= -0.28571 1 -0.56973433940687 -0.56973433940687 2 -0.49483846022852 -0.49483846022852 3 -0.40177400870620 -0.40177400870620 4 -0.32357709450189 -0.32357709450189 5 0.32790262936126 0.32790262936126 6 0.42927060720731 0.42927060720731 7 0.48755068590538 0.48755068590538 8 0.56017340811970 0.56017340811970 kloop=37 k1= -0.42857 k2= 0.28571 k3= -0.14286 1 -0.57814006036441 -0.57814006036441 2 -0.47724143100523 -0.47724143100523 3 -0.39195759985939 -0.39195759985939 4 -0.34607178236080 -0.34607178236080 5 0.32524508993577 0.32524508993577 6 0.43129316394543 0.43129316394543 7 0.48433255227706 0.48433255227706 8 0.54487468181050 0.54487468181050 kloop=38 k1= -0.42857 k2= 0.28571 k3= 0.00000 1 -0.60879951925275 -0.60879951925275 2 -0.49064306547290 -0.49064306547290 3 -0.35871080685571 -0.35871080685571 4 -0.29445923250394 -0.29445923250394 5 0.22981885491413 0.22981885491413 6 0.43163150928368 0.43163150928368 7 0.52954219570030 0.52954219570030 8 0.53076014902105 0.53076014902105 kloop=39 k1= -0.42857 k2= 0.28571 k3= 0.14286 1 -0.64413097223199 -0.64413097223199 2 -0.47228493161328 -0.47228493161328 3 -0.34422227397740 -0.34422227397740 4 -0.27025431047199 -0.27025431047199 5 0.27364293257731 0.27364293257731 6 0.40184025799045 0.40184025799045 7 0.51419471376873 0.51419471376873 8 0.52387002631503 0.52387002631503 kloop=40 k1= -0.42857 k2= 0.28571 k3= 0.28572 1 -0.65751825056949 -0.65751825056949 2 -0.44553213507188 -0.44553213507188 3 -0.38954270255314 -0.38954270255314 4 -0.21989312778542 -0.21989312778542 5 0.24372319684698 0.24372319684698 6 0.44481922183593 0.44481922183593 7 0.47870566828604 0.47870566828604 8 0.56278970845778 0.56278970845778 kloop=41 k1= -0.42857 k2= 0.28571 k3= 0.42857 1 -0.63901135064584 -0.63901135064584 2 -0.49324572863478 -0.49324572863478 3 -0.32210951430675 -0.32210951430675 4 -0.27347090026297 -0.27347090026297 5 0.26326626744528 0.26326626744528 6 0.40947698017980 0.40947698017980 7 0.48269102998013 0.48269102998013 8 0.60259953620747 0.60259953620747 kloop=42 k1= -0.42857 k2= 0.42857 k3= -0.42857 1 -0.64574126577781 -0.64574126577781 2 -0.54367050294603 -0.54367050294603 3 -0.26017254459126 -0.26017254459126 4 -0.21712583453572 -0.21712583453572 5 0.24951397725505 0.24951397725505 6 0.36446248722812 0.36446248722812 7 0.44359958215835 0.44359958215835 8 0.63301996456769 0.63301996456769 kloop=43 k1= -0.42857 k2= 0.42857 k3= -0.28571 1 -0.64005063268858 -0.64005063268858 2 -0.48661670899431 -0.48661670899431 3 -0.33954691086908 -0.33954691086908 4 -0.26303884558284 -0.26303884558284 5 0.33254336338947 0.33254336338947 6 0.36536184085549 0.36536184085549 7 0.47907640826376 0.47907640826376 8 0.57290974073302 0.57290974073302 kloop=44 k1= -0.42857 k2= 0.42857 k3= -0.14286 1 -0.60808917458055 -0.60808917458055 2 -0.46045324732189 -0.46045324732189 3 -0.36589432008514 -0.36589432008514 4 -0.32502073185382 -0.32502073185382 5 0.29283872414309 0.29283872414309 6 0.38838519578424 0.38838519578424 7 0.47370683217468 0.47370683217468 8 0.57606573411336 0.57606573411336 kloop=45 k1= -0.42857 k2= 0.42857 k3= 0.00000 1 -0.56521667670998 -0.56521667670998 2 -0.51547667872298 -0.51547667872298 3 -0.34630648489122 -0.34630648489122 4 -0.32165316411064 -0.32165316411064 5 0.21261089993294 0.21261089993294 6 0.35364592187590 0.35364592187590 7 0.52374911923856 0.52374911923856 8 0.59611302805428 0.59611302805428 kloop=46 k1= -0.42857 k2= 0.42857 k3= 0.14286 1 -0.60686325443771 -0.60686325443771 2 -0.46477885208761 -0.46477885208761 3 -0.36730379621893 -0.36730379621893 4 -0.31954827420798 -0.31954827420798 5 0.28342247899453 0.28342247899453 6 0.38966397457873 0.38966397457873 7 0.48839749922082 0.48839749922082 8 0.57689135847102 0.57689135847102 kloop=47 k1= -0.42857 k2= 0.42857 k3= 0.28572 1 -0.63937152470021 -0.63937152470021 2 -0.48740683515272 -0.48740683515272 3 -0.34819309377313 -0.34819309377313 4 -0.25180482906943 -0.25180482906943 5 0.29993413811901 0.29993413811901 6 0.40344961042690 0.40344961042690 7 0.48523294295876 0.48523294295876 8 0.56923539974187 0.56923539974187 kloop=48 k1= -0.42857 k2= 0.42857 k3= 0.42857 1 -0.64548486861121 -0.64548486861121 2 -0.54389178620817 -0.54389178620817 3 -0.27080238856479 -0.27080238856479 4 -0.20416474643164 -0.20416474643164 5 0.24060169129121 0.24060169129121 6 0.37774829306605 0.37774829306605 7 0.44289770465645 0.44289770465645 8 0.63140690846098 0.63140690846098 kloop=49 k1= -0.28571 k2= -0.42857 k3= -0.42857 1 -0.70289457676466 -0.70289457676466 2 -0.47114714535815 -0.47114714535815 3 -0.25287384632745 -0.25287384632745 4 -0.19938060629354 -0.19938060629354 5 0.21800832398327 0.21800832398327 6 0.35836975316060 0.35836975316060 7 0.45240516677634 0.45240516677634 8 0.60809603686636 0.60809603686636 kloop=50 k1= -0.28571 k2= -0.42857 k3= -0.28571 1 -0.73519364817324 -0.73519364817324 2 -0.41989817092371 -0.41989817092371 3 -0.25957086730561 -0.25957086730561 4 -0.18528097291055 -0.18528097291055 5 0.25030179490462 0.25030179490462 6 0.34346606887682 0.34346606887682 7 0.39791805370013 0.39791805370013 8 0.58281920564755 0.58281920564755 kloop=51 k1= -0.28571 k2= -0.42857 k3= -0.14286 1 -0.72847789259425 -0.72847789259425 2 -0.35912327144474 -0.35912327144474 3 -0.31849935466644 -0.31849935466644 4 -0.22913122120979 -0.22913122120979 5 0.24357593349422 0.24357593349422 6 0.36572471815355 0.36572471815355 7 0.46056486639654 0.46056486639654 8 0.50696116618412 0.50696116618412 kloop=52 k1= -0.28571 k2= -0.42857 k3= 0.00000 1 -0.68357093342756 -0.68357093342756 2 -0.39563280224718 -0.39563280224718 3 -0.30343310485384 -0.30343310485384 4 -0.30078186105074 -0.30078186105074 5 0.19061017309171 0.19061017309171 6 0.41986430193793 0.41986430193793 7 0.46173699233055 0.46173699233055 8 0.53550695104769 0.53550695104769 kloop=53 k1= -0.28571 k2= -0.42857 k3= 0.14286 1 -0.60755285065458 -0.60755285065458 2 -0.46251822531335 -0.46251822531335 3 -0.36446089549808 -0.36446089549808 4 -0.32472043293213 -0.32472043293213 5 0.29282980515762 0.29282980515762 6 0.38758531194565 0.38758531194565 7 0.47442062378884 0.47442062378884 8 0.57874292800391 0.57874292800391 kloop=54 k1= -0.28571 k2= -0.42857 k3= 0.28572 1 -0.55001315162845 -0.55001315162845 2 -0.52137638368509 -0.52137638368509 3 -0.41293150579716 -0.41293150579716 4 -0.30253214465127 -0.30253214465127 5 0.35953923006631 0.35953923006631 6 0.42264183921827 0.42264183921827 7 0.48119805668543 0.48119805668543 8 0.57396098043692 0.57396098043692 kloop=55 k1= -0.28571 k2= -0.42857 k3= 0.42857 1 -0.63647727327041 -0.63647727327041 2 -0.49559358785940 -0.49559358785940 3 -0.34885387602066 -0.34885387602066 4 -0.24163605384503 -0.24163605384503 5 0.28551369063975 0.28551369063975 6 0.38131288300308 0.38131288300308 7 0.52876440832303 0.52876440832303 8 0.58471681007423 0.58471681007423 kloop=56 k1= -0.28571 k2= -0.28572 k3= -0.42857 1 -0.73365048817900 -0.73365048817900 2 -0.42672689933871 -0.42672689933871 3 -0.28198679927889 -0.28198679927889 4 -0.14066023124187 -0.14066023124187 5 0.22624956846555 0.22624956846555 6 0.30857809066571 0.30857809066571 7 0.47680554699575 0.47680554699575 8 0.60006843313591 0.60006843313591 kloop=57 k1= -0.28571 k2= -0.28572 k3= -0.28571 1 -0.78059436858897 -0.78059436858897 2 -0.38151657374497 -0.38151657374497 3 -0.19243620202686 -0.19243620202686 4 -0.12884575156072 -0.12884575156072 5 0.20459143902258 0.20459143902258 6 0.27214985338909 0.27214985338909 7 0.37409799494890 0.37409799494890 8 0.58979170206758 0.58979170206758 kloop=58 k1= -0.28571 k2= -0.28572 k3= -0.14286 1 -0.78735823343982 -0.78735823343982 2 -0.31996571487187 -0.31996571487187 3 -0.21002409134021 -0.21002409134021 4 -0.18582908618360 -0.18582908618360 5 0.19338171583928 0.19338171583928 6 0.30680602241008 0.30680602241008 7 0.39530577559784 0.39530577559784 8 0.52723164436121 0.52723164436121 kloop=59 k1= -0.28571 k2= -0.28572 k3= 0.00000 1 -0.75306683541460 -0.75306683541460 2 -0.29713260853680 -0.29713260853680 3 -0.28369676878257 -0.28369676878257 4 -0.23905929992639 -0.23905929992639 5 0.13967778324936 0.13967778324936 6 0.40183565757272 0.40183565757272 7 0.45163766244875 0.45163766244875 8 0.49096807635834 0.49096807635834 kloop=60 k1= -0.28571 k2= -0.28572 k3= 0.14286 1 -0.68196409039670 -0.68196409039670 2 -0.40693264024474 -0.40693264024474 3 -0.33132079826138 -0.33132079826138 4 -0.26026641296902 -0.26026641296902 5 0.21973752556898 0.21973752556898 6 0.40880985972041 0.40880985972041 7 0.45072623110554 0.45072623110554 8 0.55719927231650 0.55719927231650 kloop=61 k1= -0.28571 k2= -0.28572 k3= 0.28572 1 -0.59323912681332 -0.59323912681332 2 -0.51743813641148 -0.51743813641148 3 -0.38536361314651 -0.38536361314651 4 -0.24719374577658 -0.24719374577658 5 0.29431806111175 0.29431806111175 6 0.42229547359967 0.42229547359967 7 0.47788210740684 0.47788210740684 8 0.59160651053754 0.59160651053754 kloop=62 k1= -0.28571 k2= -0.28572 k3= 0.42857 1 -0.65244248986226 -0.65244248986226 2 -0.46702307004276 -0.46702307004276 3 -0.38456176693058 -0.38456176693058 4 -0.20201216741002 -0.20201216741002 5 0.30125692311728 0.30125692311728 6 0.34759542384602 0.34759542384602 7 0.55013135416889 0.55013135416889 8 0.58755589710187 0.58755589710187 kloop=63 k1= -0.28571 k2= -0.14286 k3= -0.42857 1 -0.72626641887202 -0.72626641887202 2 -0.39277629892507 -0.39277629892507 3 -0.30935038751798 -0.30935038751798 4 -0.19154803850894 -0.19154803850894 5 0.20700052939143 0.20700052939143 6 0.35434482872923 0.35434482872923 7 0.51807019371897 0.51807019371897 8 0.55741621282181 0.55741621282181 kloop=64 k1= -0.28571 k2= -0.14286 k3= -0.28571 1 -0.78691500408570 -0.78691500408570 2 -0.33055921884097 -0.33055921884097 3 -0.22464186960982 -0.22464186960982 4 -0.14684583072406 -0.14684583072406 5 0.15013576135364 0.15013576135364 6 0.32567249919620 0.32567249919620 7 0.40850809182304 0.40850809182304 8 0.55135347597361 0.55135347597361 kloop=65 k1= -0.28571 k2= -0.14286 k3= -0.14286 1 -0.80812898035190 -0.80812898035190 2 -0.27582661559799 -0.27582661559799 3 -0.24081750571269 -0.24081750571269 4 -0.11213790851612 -0.11213790851612 5 0.16788483803999 0.16788483803999 6 0.29589777989136 0.29589777989136 7 0.34180786218348 0.34180786218348 8 0.53364642790232 0.53364642790232 kloop=66 k1= -0.28571 k2= -0.14286 k3= 0.00000 1 -0.78756481311326 -0.78756481311326 2 -0.30508616494461 -0.30508616494461 3 -0.24751539774289 -0.24751539774289 4 -0.15763713121436 -0.15763713121436 5 0.15726292697865 0.15726292697865 6 0.32679550457815 0.32679550457815 7 0.40393609631302 0.40393609631302 8 0.51785182940483 0.51785182940483 kloop=67 k1= -0.28571 k2= -0.14286 k3= 0.14286 1 -0.72775597511000 -0.72775597511000 2 -0.36880283196181 -0.36880283196181 3 -0.32037435783657 -0.32037435783657 4 -0.21364217043953 -0.21364217043953 5 0.22665852870232 0.22665852870232 6 0.37517874563044 0.37517874563044 7 0.47256656394809 0.47256656394809 8 0.52200402120852 0.52200402120852 kloop=68 k1= -0.28571 k2= -0.14286 k3= 0.28572 1 -0.63824590407298 -0.63824590407298 2 -0.49078915974933 -0.49078915974933 3 -0.34575858084134 -0.34575858084134 4 -0.25168051958985 -0.25168051958985 5 0.30560023607605 0.30560023607605 6 0.40087440264597 0.40087440264597 7 0.47683731137240 0.47683731137240 8 0.58233991925917 0.58233991925917 kloop=69 k1= -0.28571 k2= -0.14286 k3= 0.42857 1 -0.63565819140175 -0.63565819140175 2 -0.49797708996615 -0.49797708996615 3 -0.34661823206497 -0.34661823206497 4 -0.24238572744558 -0.24238572744558 5 0.29093518924187 0.29093518924187 6 0.37982683375398 0.37982683375398 7 0.51812924016708 0.51812924016708 8 0.59676232198685 0.59676232198685 kloop=70 k1= -0.28571 k2= -0.00000 k3= -0.42857 1 -0.68132237187249 -0.68132237187249 2 -0.42301551541133 -0.42301551541133 3 -0.30434852515894 -0.30434852515894 4 -0.26633984487191 -0.26633984487191 5 0.18626719372227 0.18626719372227 6 0.36944049438993 0.36944049438993 7 0.52320997339227 0.52320997339227 8 0.56660893214522 0.56660893214522 kloop=71 k1= -0.28571 k2= -0.00000 k3= -0.28571 1 -0.75322725039545 -0.75322725039545 2 -0.32030746902336 -0.32030746902336 3 -0.25792317317897 -0.25792317317897 4 -0.23588732475840 -0.23588732475840 5 0.12843401754709 0.12843401754709 6 0.37488142308698 0.37488142308698 7 0.47217330673179 0.47217330673179 8 0.50345461919536 0.50345461919536 kloop=72 k1= -0.28571 k2= -0.00000 k3= -0.14286 1 -0.78813901953644 -0.78813901953644 2 -0.29675837098579 -0.29675837098579 3 -0.24127040321059 -0.24127040321059 4 -0.17829770743211 -0.17829770743211 5 0.17358268492891 0.17358268492891 6 0.33782867112014 0.33782867112014 7 0.37015506426257 0.37015506426257 8 0.50746840219541 0.50746840219541 kloop=73 k1= -0.28571 k2= -0.00000 k3= 0.00000 1 -0.78210581221836 -0.78210581221836 2 -0.36117163553578 -0.36117163553578 3 -0.21513091020263 -0.21513091020263 4 -0.13101598641858 -0.13101598641858 5 0.18282981083285 0.18282981083285 6 0.30787215791690 0.30787215791690 7 0.34065916223639 0.34065916223639 8 0.54364919317029 0.54364919317029 kloop=74 k1= -0.28571 k2= -0.00000 k3= 0.14286 1 -0.73624974573851 -0.73624974573851 2 -0.40460216159990 -0.40460216159990 3 -0.29459820063541 -0.29459820063541 4 -0.15730336987334 -0.15730336987334 5 0.21032040863754 0.21032040863754 6 0.35788716586497 0.35788716586497 7 0.42718722470302 0.42718722470302 8 0.54179504636458 0.54179504636458 kloop=75 k1= -0.28571 k2= -0.00000 k3= 0.28572 1 -0.65690839923827 -0.65690839923827 2 -0.44852607559153 -0.44852607559153 3 -0.38833022268370 -0.38833022268370 4 -0.21819672966574 -0.21819672966574 5 0.25064592737523 0.25064592737523 6 0.43297275844574 0.43297275844574 7 0.48048863376091 0.48048863376091 8 0.57247969218600 0.57247969218600 kloop=76 k1= -0.28571 k2= -0.00000 k3= 0.42857 1 -0.59348705898569 -0.59348705898569 2 -0.52228908736134 -0.52228908736134 3 -0.36799147906380 -0.36799147906380 4 -0.25971167406940 -0.25971167406940 5 0.24024157266719 0.24024157266719 6 0.42473980812973 0.42473980812973 7 0.50680393705385 0.50680393705385 8 0.60610840845185 0.60610840845185 kloop=77 k1= -0.28571 k2= 0.14286 k3= -0.42857 1 -0.60718081393734 -0.60718081393734 2 -0.47089017843832 -0.47089017843832 3 -0.34902121709166 -0.34902121709166 4 -0.32956745153710 -0.32956745153710 5 0.27407337068726 0.27407337068726 6 0.35377178785874 0.35377178785874 7 0.53309995469565 0.53309995469565 8 0.57625636664848 0.57625636664848 kloop=78 k1= -0.28571 k2= 0.14286 k3= -0.28571 1 -0.68453422505827 -0.68453422505827 2 -0.38881054051464 -0.38881054051464 3 -0.33315453552202 -0.33315453552202 4 -0.27481099276706 -0.27481099276706 5 0.19731129729877 0.19731129729877 6 0.38126853934246 0.38126853934246 7 0.50613630407844 0.50613630407844 8 0.50999115752427 0.50999115752427 kloop=79 k1= -0.28571 k2= 0.14286 k3= -0.14286 1 -0.73012230020748 -0.73012230020748 2 -0.33281980985796 -0.33281980985796 3 -0.31456080649643 -0.31456080649643 4 -0.26475881308211 -0.26475881308211 5 0.25889595951825 0.25889595951825 6 0.35216868682250 0.35216868682250 7 0.44901297002972 0.44901297002972 8 0.47912451589021 0.47912451589021 kloop=80 k1= -0.28571 k2= 0.14286 k3= 0.00000 1 -0.73776189344721 -0.73776189344721 2 -0.39885134054256 -0.39885134054256 3 -0.25122501549309 -0.25122501549309 4 -0.22385907165375 -0.22385907165375 5 0.26758454306714 0.26758454306714 6 0.33916698824819 0.33916698824819 7 0.37031316996103 0.37031316996103 8 0.53096536850838 0.53096536850838 kloop=81 k1= -0.28571 k2= 0.14286 k3= 0.14286 1 -0.70719974021925 -0.70719974021925 2 -0.44930282100359 -0.44930282100359 3 -0.27407646637968 -0.27407646637968 4 -0.20240277666980 -0.20240277666980 5 0.21943764528056 0.21943764528056 6 0.39761035402547 0.39761035402547 7 0.40936418449688 0.40936418449688 8 0.52842206380318 0.52842206380318 kloop=82 k1= -0.28571 k2= 0.14286 k3= 0.28572 1 -0.64419302004565 -0.64419302004565 2 -0.46849159496886 -0.46849159496886 3 -0.36692598934585 -0.36692598934585 4 -0.24643632044117 -0.24643632044117 5 0.26114868711430 0.26114868711430 6 0.45047314150533 0.45047314150533 7 0.48861314628375 0.48861314628375 8 0.52321411979396 0.52321411979396 kloop=83 k1= -0.28571 k2= 0.14286 k3= 0.42857 1 -0.56365508695995 -0.56365508695995 2 -0.50652602411662 -0.50652602411662 3 -0.40395309849823 -0.40395309849823 4 -0.31358173667290 -0.31358173667290 5 0.30634746244906 0.30634746244906 6 0.42413508290300 0.42413508290300 7 0.51737188730646 0.51737188730646 8 0.57652815035138 0.57652815035138 kloop=84 k1= -0.28571 k2= 0.28571 k3= -0.42857 1 -0.56861648163144 -0.56861648163144 2 -0.49945609298799 -0.49945609298799 3 -0.39795286820085 -0.39795286820085 4 -0.32323486886170 -0.32323486886170 5 0.31127951445743 0.31127951445743 6 0.41202845906373 0.41202845906373 7 0.51875240980620 0.51875240980620 8 0.57157786234621 0.57157786234621 kloop=85 k1= -0.28571 k2= 0.28571 k3= -0.28571 1 -0.61096726999111 -0.61096726999111 2 -0.47844249927467 -0.47844249927467 3 -0.39208828586192 -0.39208828586192 4 -0.26638044959969 -0.26638044959969 5 0.24214595494927 0.24214595494927 6 0.45114645639776 0.45114645639776 7 0.49019255211434 0.49019255211434 8 0.53240886544617 0.53240886544617 kloop=86 k1= -0.28571 k2= 0.28571 k3= -0.14286 1 -0.64841572520826 -0.64841572520826 2 -0.45733307223431 -0.45733307223431 3 -0.33340280169944 -0.33340280169944 4 -0.29728512631342 -0.29728512631342 5 0.31059793642659 0.31059793642659 6 0.38001626544768 0.38001626544768 7 0.48611634171043 0.48611634171043 8 0.49773120328792 0.49773120328792 kloop=87 k1= -0.28571 k2= 0.28571 k3= 0.00000 1 -0.66274728966527 -0.66274728966527 2 -0.41791219241650 -0.41791219241650 3 -0.38376214943229 -0.38376214943229 4 -0.26235626227103 -0.26235626227103 5 0.26347618951111 0.26347618951111 6 0.43474001680123 0.43474001680123 7 0.45713590767461 0.45713590767461 8 0.51350063759392 0.51350063759392 kloop=88 k1= -0.28571 k2= 0.28571 k3= 0.14286 1 -0.64697224718695 -0.64697224718695 2 -0.46466966525143 -0.46466966525143 3 -0.32774278837054 -0.32774278837054 4 -0.29604691388525 -0.29604691388525 5 0.29696680313855 0.29696680313855 6 0.39213773947248 0.39213773947248 7 0.48279012825144 0.48279012825144 8 0.51787497661248 0.51787497661248 kloop=89 k1= -0.28571 k2= 0.28571 k3= 0.28572 1 -0.60776754385904 -0.60776754385904 2 -0.48724248733552 -0.48724248733552 3 -0.39270625597513 -0.39270625597513 4 -0.25737482383109 -0.25737482383109 5 0.23410219364843 0.23410219364843 6 0.46347631218419 0.46347631218419 7 0.49763018653240 0.49763018653240 8 0.53828670490703 0.53828670490703 kloop=90 k1= -0.28571 k2= 0.28571 k3= 0.42857 1 -0.56529020506740 -0.56529020506740 2 -0.50400981707863 -0.50400981707863 3 -0.40379462029798 -0.40379462029798 4 -0.31476295679588 -0.31476295679588 5 0.30074201643297 0.30074201643297 6 0.42595977978391 0.42595977978391 7 0.52865414196347 0.52865414196347 8 0.56625902213117 0.56625902213117 kloop=91 k1= -0.28571 k2= 0.42857 k3= -0.42857 1 -0.63978156187908 -0.63978156187908 2 -0.49145045257185 -0.49145045257185 3 -0.31497482232258 -0.31497482232258 4 -0.28311697528993 -0.28311697528993 5 0.27132966421229 0.27132966421229 6 0.40849987157735 0.40849987157735 7 0.47376456084797 0.47376456084797 8 0.59765722090450 0.59765722090450 kloop=92 k1= -0.28571 k2= 0.42857 k3= -0.28571 1 -0.65882399746630 -0.65882399746630 2 -0.44065094479356 -0.44065094479356 3 -0.38581275528066 -0.38581275528066 4 -0.23142068459522 -0.23142068459522 5 0.25791933014913 0.25791933014913 6 0.43288252406166 0.43288252406166 7 0.46403689556906 0.46403689556906 8 0.55803285725559 0.55803285725559 kloop=93 k1= -0.28571 k2= 0.42857 k3= -0.14286 1 -0.64632904928644 -0.64632904928644 2 -0.46319853497461 -0.46319853497461 3 -0.34526567641785 -0.34526567641785 4 -0.27853495857118 -0.27853495857118 5 0.29207814129374 0.29207814129374 6 0.39298736210692 0.39298736210692 7 0.49548777365618 0.49548777365618 8 0.51090694398632 0.51090694398632 kloop=94 k1= -0.28571 k2= 0.42857 k3= 0.00000 1 -0.61174315158948 -0.61174315158948 2 -0.48088885589910 -0.48088885589910 3 -0.36731671613810 -0.36731671613810 4 -0.29341465444014 -0.29341465444014 5 0.23343239693320 0.23343239693320 6 0.44828547712483 0.44828547712483 7 0.50347612702575 0.50347612702575 8 0.52228439762482 0.52228439762482 kloop=95 k1= -0.28571 k2= 0.42857 k3= 0.14286 1 -0.57811811488741 -0.57811811488741 2 -0.47739297665171 -0.47739297665171 3 -0.39178363742611 -0.39178363742611 4 -0.34610044864982 -0.34610044864982 5 0.32460434512935 0.32460434512935 6 0.43165373479675 0.43165373479675 7 0.48383809166147 0.48383809166147 8 0.54591187227533 0.54591187227533 kloop=96 k1= -0.28571 k2= 0.42857 k3= 0.28572 1 -0.56658234790711 -0.56658234790711 2 -0.49937756061822 -0.49937756061822 3 -0.40726728764372 -0.40726728764372 4 -0.31531217738645 -0.31531217738645 5 0.31481669310563 0.31481669310563 6 0.44972309036063 0.44972309036063 7 0.49339953007775 0.49339953007775 8 0.55512068099406 0.55512068099406 kloop=97 k1= -0.28571 k2= 0.42857 k3= 0.42857 1 -0.59576149100104 -0.59576149100104 2 -0.51844182837760 -0.51844182837760 3 -0.36888090775311 -0.36888090775311 4 -0.26049073367644 -0.26049073367644 5 0.23271595394027 0.23271595394027 6 0.42647738978193 0.42647738978193 7 0.51738437698700 0.51738437698700 8 0.59504096627755 0.59504096627755 kloop=98 k1= -0.14286 k2= -0.42857 k3= -0.42857 1 -0.68156814938932 -0.68156814938932 2 -0.42151612926296 -0.42151612926296 3 -0.30578896427871 -0.30578896427871 4 -0.26613346921427 -0.26613346921427 5 0.18283700532648 0.18283700532648 6 0.37069428319408 0.37069428319408 7 0.53114576621002 0.53114576621002 8 0.55727317621268 0.55727317621268 kloop=99 k1= -0.14286 k2= -0.42857 k3= -0.28571 1 -0.72859389575101 -0.72859389575101 2 -0.36554936623700 -0.36554936623700 3 -0.31291418853092 -0.31291418853092 4 -0.22541969011796 -0.22541969011796 5 0.22154478054606 0.22154478054606 6 0.40276302063914 0.40276302063914 7 0.42607386894550 0.42607386894550 8 0.52651444443833 0.52651444443833 kloop=100 k1= -0.14286 k2= -0.42857 k3= -0.14286 1 -0.73719891863536 -0.73719891863536 2 -0.39635935709189 -0.39635935709189 3 -0.29177955417213 -0.29177955417213 4 -0.17455804378267 -0.17455804378267 5 0.23137999118064 0.23137999118064 6 0.35339043406655 0.35339043406655 7 0.39957206797998 0.39957206797998 8 0.52504649556149 0.52504649556149 kloop=101 k1= -0.14286 k2= -0.42857 k3= 0.00000 1 -0.70753966811099 -0.70753966811099 2 -0.44595896003912 -0.44595896003912 3 -0.26111108293496 -0.26111108293496 4 -0.22096224981969 -0.22096224981969 5 0.21948249609770 0.21948249609770 6 0.36768039232232 0.36768039232232 7 0.42586461843954 0.42586461843954 8 0.52439586299402 0.52439586299402 kloop=102 k1= -0.14286 k2= -0.42857 k3= 0.14286 1 -0.64605316590159 -0.64605316590159 2 -0.46361882257137 -0.46361882257137 3 -0.34791075674552 -0.34791075674552 4 -0.27529660299274 -0.27529660299274 5 0.29796200888358 0.29796200888358 6 0.38544012282304 0.38544012282304 7 0.49416874408758 0.49416874408758 8 0.51676071611342 0.51676071611342 kloop=103 k1= -0.14286 k2= -0.42857 k3= 0.28572 1 -0.56833834419987 -0.56833834419987 2 -0.49741852850569 -0.49741852850569 3 -0.40180237896933 -0.40180237896933 4 -0.32215144770232 -0.32215144770232 5 0.33495619432737 0.33495619432737 6 0.42618278355508 0.42618278355508 7 0.47802448052335 0.47802448052335 8 0.56868204492278 0.56868204492278 kloop=104 k1= -0.14286 k2= -0.42857 k3= 0.42857 1 -0.60170973689877 -0.60170973689877 2 -0.48583393156667 -0.48583393156667 3 -0.35257056788907 -0.35257056788907 4 -0.31366965477783 -0.31366965477783 5 0.26346778084846 0.26346778084846 6 0.36182485010043 0.36182485010043 7 0.55775900689406 0.55775900689406 8 0.57472946136201 0.57472946136201 kloop=105 k1= -0.14286 k2= -0.28572 k3= -0.42857 1 -0.72626901623267 -0.72626901623267 2 -0.39285072958262 -0.39285072958262 3 -0.30931711284750 -0.30931711284750 4 -0.19138936131637 -0.19138936131637 5 0.20622719499547 0.20622719499547 6 0.35540371203869 0.35540371203869 7 0.51564292067313 0.51564292067313 8 0.55955843902810 0.55955843902810 kloop=106 k1= -0.14286 k2= -0.28572 k3= -0.28571 1 -0.78702215243838 -0.78702215243838 2 -0.32916716937777 -0.32916716937777 3 -0.22094604096410 -0.22094604096410 4 -0.15466827973126 -0.15466827973126 5 0.15780694525235 0.15780694525235 6 0.32223779817925 0.32223779817925 7 0.40579815333754 0.40579815333754 8 0.54639735283277 0.54639735283277 kloop=107 k1= -0.14286 k2= -0.28572 k3= -0.14286 1 -0.80833318376671 -0.80833318376671 2 -0.27233816047921 -0.27233816047921 3 -0.23202726587611 -0.23202726587611 4 -0.13206180667159 -0.13206180667159 5 0.19393952224322 0.19393952224322 6 0.27565081652286 0.27565081652286 7 0.33468786443242 0.33468786443242 8 0.52786540059224 0.52786540059224 kloop=108 k1= -0.14286 k2= -0.28572 k3= 0.00000 1 -0.78788932025915 -0.78788932025915 2 -0.29477256821730 -0.29477256821730 3 -0.24562695970267 -0.24562695970267 4 -0.17526638405461 -0.17526638405461 5 0.17197591453595 0.17197591453595 6 0.31927667121993 0.31927667121993 7 0.39372167377468 0.39372167377468 8 0.50643535751543 0.50643535751543 kloop=109 k1= -0.14286 k2= -0.28572 k3= 0.14286 1 -0.72824309239756 -0.72824309239756 2 -0.36325211291603 -0.36325211291603 3 -0.31613393051619 -0.31613393051619 4 -0.22678421955311 -0.22678421955311 5 0.24420893810622 0.24420893810622 6 0.36548090954319 0.36548090954319 7 0.45569115899184 0.45569115899184 8 0.51664279045287 0.51664279045287 kloop=110 k1= -0.14286 k2= -0.28572 k3= 0.28572 1 -0.63894317264804 -0.63894317264804 2 -0.48998013262051 -0.48998013262051 3 -0.33709526687220 -0.33709526687220 4 -0.26284445939952 -0.26284445939952 5 0.33925022948914 0.33925022948914 6 0.36329069572118 0.36329069572118 7 0.46953023082620 0.46953023082620 8 0.58577110324085 0.58577110324085 kloop=111 k1= -0.14286 k2= -0.28572 k3= 0.42857 1 -0.63556245426025 -0.63556245426025 2 -0.49898916069657 -0.49898916069657 3 -0.34153741698059 -0.34153741698059 4 -0.24750465788201 -0.24750465788201 5 0.29711516151143 0.29711516151143 6 0.36833952943093 0.36833952943093 7 0.51372377894592 0.51372377894592 8 0.60557209052613 0.60557209052613 kloop=112 k1= -0.14286 k2= -0.14286 k3= -0.42857 1 -0.73341689261951 -0.73341689261951 2 -0.42849548521219 -0.42849548521219 3 -0.27949027183612 -0.27949027183612 4 -0.14211805775414 -0.14211805775414 5 0.23013665791701 0.23013665791701 6 0.31024882772753 0.31024882772753 7 0.46956931785208 0.46956931785208 8 0.60852250803285 0.60852250803285 kloop=113 k1= -0.14286 k2= -0.14286 k3= -0.28571 1 -0.80735861893463 -0.80735861893463 2 -0.30346689375008 -0.30346689375008 3 -0.22706886198633 -0.22706886198633 4 -0.08051826318184 -0.08051826318184 5 0.15190714501000 0.15190714501000 6 0.26709229137328 0.26709229137328 7 0.39176581525535 0.39176581525535 8 0.55763682444019 0.55763682444019 kloop=114 k1= -0.14286 k2= -0.14286 k3= -0.14286 1 -0.84278997140907 -0.84278997140907 2 -0.23141457489437 -0.23141457489437 3 -0.13893129604921 -0.13893129604921 4 -0.07454840565038 -0.07454840565038 5 0.14147043003568 0.14147043003568 6 0.19477337775072 0.19477337775072 7 0.28999445438478 0.28999445438478 8 0.52348796934937 0.52348796934937 kloop=115 k1= -0.14286 k2= -0.14286 k3= 0.00000 1 -0.83580117191645 -0.83580117191645 2 -0.21078096123218 -0.21078096123218 3 -0.15715920320810 -0.15715920320810 4 -0.13526184067196 -0.13526184067196 5 0.13357348934147 0.13357348934147 6 0.23432678025895 0.23432678025895 7 0.32045646741290 0.32045646741290 8 0.50778007251679 0.50778007251679 kloop=116 k1= -0.14286 k2= -0.14286 k3= 0.14286 1 -0.78719219295140 -0.78719219295140 2 -0.32327657094834 -0.32327657094834 3 -0.20564238828257 -0.20564238828257 4 -0.18612826912515 -0.18612826912515 5 0.19362372844747 0.19362372844747 6 0.30998131662024 0.30998131662024 7 0.39082828813641 0.39082828813641 8 0.53419480705716 0.53419480705716 kloop=117 k1= -0.14286 k2= -0.14286 k3= 0.28572 1 -0.70301641814269 -0.70301641814269 2 -0.46965166564067 -0.46965166564067 3 -0.25365899202038 -0.25365899202038 4 -0.20482211804230 -0.20482211804230 5 0.27798796070435 0.27798796070435 6 0.33432961395408 0.33432961395408 7 0.42742822949220 0.42742822949220 8 0.59724417798827 0.59724417798827 kloop=118 k1= -0.14286 k2= -0.14286 k3= 0.42857 1 -0.64258114434278 -0.64258114434278 2 -0.54812291164503 -0.54812291164503 3 -0.28230648168831 -0.28230648168831 4 -0.18854941269450 -0.18854941269450 5 0.28444610649244 0.28444610649244 6 0.32828424804746 0.32828424804746 7 0.46224580617572 0.46224580617572 8 0.63786845056402 0.63786845056402 kloop=119 k1= -0.14286 k2= -0.00000 k3= -0.42857 1 -0.70235100852910 -0.70235100852910 2 -0.47326151194777 -0.47326151194777 3 -0.24953350795704 -0.24953350795704 4 -0.20132833358774 -0.20132833358774 5 0.22486164654994 0.22486164654994 6 0.36016890264923 0.36016890264923 7 0.44365955677235 0.44365955677235 8 0.61830717667763 0.61830717667763 kloop=120 k1= -0.14286 k2= -0.00000 k3= -0.28571 1 -0.78691017676258 -0.78691017676258 2 -0.33126562366375 -0.33126562366375 3 -0.21792737384231 -0.21792737384231 4 -0.15568171962206 -0.15568171962206 5 0.16038412379180 0.16038412379180 6 0.32384229648363 0.32384229648363 7 0.40144122246010 0.40144122246010 8 0.55124729941971 0.55124729941971 kloop=121 k1= -0.14286 k2= -0.00000 k3= -0.14286 1 -0.83583609301197 -0.83583609301197 2 -0.21446912151009 -0.21446912151009 3 -0.16812222605897 -0.16812222605897 4 -0.11367509951554 -0.11367509951554 5 0.11499329521970 0.11499329521970 6 0.25686118207877 0.25686118207877 7 0.30714307123784 0.30714307123784 8 0.51118920162685 0.51118920162685 kloop=122 k1= -0.14286 k2= -0.00000 k3= 0.00000 1 -0.84312562920207 -0.84312562920207 2 -0.19338087339513 -0.19338087339513 3 -0.17804861633060 -0.17804861633060 4 -0.08187013081959 -0.08187013081959 5 0.13302776311591 0.13302776311591 6 0.22562540972452 0.22562540972452 7 0.26441691827508 0.26441691827508 8 0.51105716485451 0.51105716485451 kloop=123 k1= -0.14286 k2= -0.00000 k3= 0.14286 1 -0.80802202112355 -0.80802202112355 2 -0.28016224013976 -0.28016224013976 3 -0.23787381185036 -0.23787381185036 4 -0.10940149360630 -0.10940149360630 5 0.16796387629906 0.16796387629906 6 0.29594785139297 0.29594785139297 7 0.34170312084110 0.34170312084110 8 0.53733661625461 0.53733661625461 kloop=124 k1= -0.14286 k2= -0.00000 k3= 0.28572 1 -0.73447944778360 -0.73447944778360 2 -0.42354164105532 -0.42354164105532 3 -0.26855848072852 -0.26855848072852 4 -0.16749878246973 -0.16749878246973 5 0.23145480148090 0.23145480148090 6 0.36752070110600 0.36752070110600 7 0.39654593979549 0.39654593979549 8 0.59651404170882 0.59651404170882 kloop=125 k1= -0.14286 k2= -0.00000 k3= 0.42857 1 -0.64349801648554 -0.64349801648554 2 -0.54738785246413 -0.54738785246413 3 -0.26873062156603 -0.26873062156603 4 -0.20469115209786 -0.20469115209786 5 0.24860383687491 0.24860383687491 6 0.38039435802113 0.38039435802113 7 0.43297945417999 0.43297945417999 8 0.64309771776274 0.64309771776274 kloop=126 k1= -0.14286 k2= 0.14286 k3= -0.42857 1 -0.63870044324816 -0.63870044324816 2 -0.49422249411339 -0.49422249411339 3 -0.31550972651456 -0.31550972651456 4 -0.28046119700955 -0.28046119700955 5 0.27824184307651 0.27824184307651 6 0.40942410348844 0.40942410348844 7 0.46380667439284 0.46380667439284 8 0.60803743956927 0.60803743956927 kloop=127 k1= -0.14286 k2= 0.14286 k3= -0.28571 1 -0.72835949944853 -0.72835949944853 2 -0.36870411324017 -0.36870411324017 3 -0.31157084378694 -0.31157084378694 4 -0.22303697706880 -0.22303697706880 5 0.22200772168881 0.22200772168881 6 0.40700487616785 0.40700487616785 7 0.41970987561365 0.41970987561365 8 0.53331585781846 0.53331585781846 kloop=128 k1= -0.14286 k2= 0.14286 k3= -0.14286 1 -0.78830315208726 -0.78830315208726 2 -0.28937038899028 -0.28937038899028 3 -0.24013384204850 -0.24013384204850 4 -0.18894510444235 -0.18894510444235 5 0.17899603828254 0.17899603828254 6 0.33659384565538 0.33659384565538 7 0.36136604950194 0.36136604950194 8 0.50256600932510 0.50256600932510 kloop=129 k1= -0.14286 k2= 0.14286 k3= 0.00000 1 -0.80902208823542 -0.80902208823542 2 -0.23844669103911 -0.23844669103911 3 -0.22667065589726 -0.22667065589726 4 -0.18571396644141 -0.18571396644141 5 0.23627935906748 0.23627935906748 6 0.27226390891402 0.27226390891402 7 0.29027100105473 0.29027100105473 8 0.51092790471977 0.51092790471977 kloop=130 k1= -0.14286 k2= 0.14286 k3= 0.14286 1 -0.78808633918071 -0.78808633918071 2 -0.29814300702833 -0.29814300702833 3 -0.24148002762137 -0.24148002762137 4 -0.17577088973963 -0.17577088973963 5 0.17042440813930 0.17042440813930 6 0.34567279279963 0.34567279279963 7 0.36438494938260 0.36438494938260 8 0.50973492484700 0.50973492484700 kloop=131 k1= -0.14286 k2= 0.14286 k3= 0.28572 1 -0.72787646273629 -0.72787646273629 2 -0.37380438310064 -0.37380438310064 3 -0.31629479472336 -0.31629479472336 4 -0.20951446300601 -0.20951446300601 5 0.20687086060740 0.20687086060740 6 0.40796494262714 0.40796494262714 7 0.43779764130720 0.43779764130720 8 0.54363994307641 0.54363994307641 kloop=132 k1= -0.14286 k2= 0.14286 k3= 0.42857 1 -0.63790871370230 -0.63790871370230 2 -0.49606825642083 -0.49606825642083 3 -0.32194198784676 -0.32194198784676 4 -0.27146865094830 -0.27146865094830 5 0.26935086680358 0.26935086680358 6 0.41030652058148 0.41030652058148 7 0.47332625346681 0.47332625346681 8 0.61343162355195 0.61343162355195 kloop=133 k1= -0.14286 k2= 0.28571 k3= -0.42857 1 -0.56716627851064 -0.56716627851064 2 -0.50189486622328 -0.50189486622328 3 -0.39823014780703 -0.39823014780703 4 -0.32176588988791 -0.32176588988791 5 0.31711123543512 0.31711123543512 6 0.40973233277749 0.40973233277749 7 0.50934791245499 0.50934791245499 8 0.58016366133625 0.58016366133625 kloop=134 k1= -0.14286 k2= 0.28571 k3= -0.28571 1 -0.64631356593291 -0.64631356593291 2 -0.46037869902352 -0.46037869902352 3 -0.36487668242534 -0.36487668242534 4 -0.25804336323307 -0.25804336323307 5 0.28063715809952 0.28063715809952 6 0.43083746737600 0.43083746737600 7 0.46901654794038 0.46901654794038 8 0.51979995088451 0.51979995088451 kloop=135 k1= -0.14286 k2= 0.28571 k3= -0.14286 1 -0.70828885712116 -0.70828885712116 2 -0.44274748769215 -0.44274748769215 3 -0.27079104559070 -0.27079104559070 4 -0.21443734430590 -0.21443734430590 5 0.23300734956161 0.23300734956161 6 0.38673077169319 0.38673077169319 7 0.39718815057976 0.39718815057976 8 0.51176295826607 0.51176295826607 kloop=136 k1= -0.14286 k2= 0.28571 k3= 0.00000 1 -0.73823107223370 -0.73823107223370 2 -0.39254271764700 -0.39254271764700 3 -0.26015214014079 -0.26015214014079 4 -0.22144939407104 -0.22144939407104 5 0.27700102498742 0.27700102498742 6 0.33603154956926 0.33603154956926 7 0.35832628640499 0.35832628640499 8 0.51952888383494 0.51952888383494 kloop=137 k1= -0.14286 k2= 0.28571 k3= 0.14286 1 -0.73012443404210 -0.73012443404210 2 -0.33347510784325 -0.33347510784325 3 -0.31389995281843 -0.31389995281843 4 -0.26469564699893 -0.26469564699893 5 0.25772841190695 0.25772841190695 6 0.35454907715533 0.35454907715533 7 0.44493775921495 0.44493775921495 8 0.48201136853823 0.48201136853823 kloop=138 k1= -0.14286 k2= 0.28571 k3= 0.28572 1 -0.68402755571153 -0.68402755571153 2 -0.39437619780777 -0.39437619780777 3 -0.33533574306069 -0.33533574306069 4 -0.26570353395422 -0.26570353395422 5 0.19216047431646 0.19216047431646 6 0.38533686405589 0.38533686405589 7 0.50533061401067 0.50533061401067 8 0.52166128011021 0.52166128011021 kloop=139 k1= -0.14286 k2= 0.28571 k3= 0.42857 1 -0.60590882638284 -0.60590882638284 2 -0.47479550371878 -0.47479550371878 3 -0.35372082082076 -0.35372082082076 4 -0.32114703356417 -0.32114703356417 5 0.26433016228820 0.26433016228820 6 0.35937314308174 0.35937314308174 7 0.54258631199248 0.54258631199248 8 0.57808837612486 0.57808837612486 kloop=140 k1= -0.14286 k2= 0.42857 k3= -0.42857 1 -0.60771186147996 -0.60771186147996 2 -0.46935411154154 -0.46935411154154 3 -0.34955589234668 -0.34955589234668 4 -0.33017933277360 -0.33017933277360 5 0.27372845687505 0.27372845687505 6 0.35324533931987 0.35324533931987 7 0.53571129398622 0.53571129398622 8 0.57208351829339 0.57208351829339 kloop=141 k1= -0.14286 k2= 0.42857 k3= -0.28571 1 -0.64661342491080 -0.64661342491080 2 -0.45934983674456 -0.45934983674456 3 -0.36490632888246 -0.36490632888246 4 -0.25911019783043 -0.25911019783043 5 0.28124825044553 0.28124825044553 6 0.43363211668225 0.43363211668225 7 0.46687135091861 0.46687135091861 8 0.51618482120352 0.51618482120352 kloop=142 k1= -0.14286 k2= 0.42857 k3= -0.14286 1 -0.65965754152362 -0.65965754152362 2 -0.51078887414843 -0.51078887414843 3 -0.29160156658347 -0.29160156658347 4 -0.20785673807836 -0.20785673807836 5 0.24492281028852 0.24492281028852 6 0.38475875124183 0.38475875124183 7 0.41846101700294 0.41846101700294 8 0.52916131315788 0.52916131315788 kloop=143 k1= -0.14286 k2= 0.42857 k3= 0.00000 1 -0.66023777024660 -0.66023777024660 2 -0.51034155085926 -0.51034155085926 3 -0.25532065371657 -0.25532065371657 4 -0.24987828219880 -0.24987828219880 5 0.25226663263065 0.25226663263065 6 0.37389219966913 0.37389219966913 7 0.41026883951066 0.41026883951066 8 0.53590617284801 0.53590617284801 kloop=144 k1= -0.14286 k2= 0.42857 k3= 0.14286 1 -0.64844188734148 -0.64844188734148 2 -0.45674684457893 -0.45674684457893 3 -0.33733322178120 -0.33733322178120 4 -0.29381498891634 -0.29381498891634 5 0.32168869191653 0.32168869191653 6 0.36835986598166 0.36835986598166 7 0.48557024516101 0.48557024516101 8 0.49935827303680 0.49935827303680 kloop=145 k1= -0.14286 k2= 0.42857 k3= 0.28572 1 -0.61146877310327 -0.61146877310327 2 -0.45405495204972 -0.45405495204972 3 -0.34997362963754 -0.34997362963754 4 -0.34381978599748 -0.34381978599748 5 0.29447383555507 0.29447383555507 6 0.35171799510862 0.35171799510862 7 0.50333894206441 0.50333894206441 8 0.56107466944488 0.56107466944488 kloop=146 k1= -0.14286 k2= 0.42857 k3= 0.42857 1 -0.54981154319770 -0.54981154319770 2 -0.53743608533305 -0.53743608533305 3 -0.36193689896410 -0.36193689896410 4 -0.29363852928767 -0.29363852928767 5 0.22062977982782 0.22062977982782 6 0.31513046056781 0.31513046056781 7 0.57347780306275 0.57347780306275 8 0.58357566368433 0.58357566368433 kloop=147 k1= 0.00000 k2= -0.42857 k3= -0.42857 1 -0.62545448324610 -0.62545448324610 2 -0.46966337742879 -0.46966337742879 3 -0.30375057464481 -0.30375057464481 4 -0.29672397129629 -0.29672397129629 5 0.17468269171303 0.17468269171303 6 0.27698358890131 0.27698358890131 7 0.57004801228969 0.57004801228969 8 0.58242182847764 0.58242182847764 kloop=148 k1= 0.00000 k2= -0.42857 k3= -0.28571 1 -0.68465009097041 -0.68465009097041 2 -0.38664210263460 -0.38664210263460 3 -0.33631543581215 -0.33631543581215 4 -0.27392872006140 -0.27392872006140 5 0.20100630955055 0.20100630955055 6 0.37801343842145 0.37801343842145 7 0.49842842092071 0.49842842092071 8 0.51598042330217 0.51598042330217 kloop=149 k1= 0.00000 k2= -0.42857 k3= -0.14286 1 -0.70838809135175 -0.70838809135175 2 -0.44225925760298 -0.44225925760298 3 -0.27132515377039 -0.27132515377039 4 -0.21476782622227 -0.21476782622227 5 0.23944713342393 0.23944713342393 6 0.37329326878818 0.37329326878818 7 0.40463336855118 0.40463336855118 8 0.51036201364012 0.51036201364012 kloop=150 k1= 0.00000 k2= -0.42857 k3= 0.00000 1 -0.69692216471700 -0.69692216471700 2 -0.49820186997748 -0.49820186997748 3 -0.23217025827948 -0.23217025827948 4 -0.16980460288581 -0.16980460288581 5 0.21869639410025 0.21869639410025 6 0.33413490199187 0.33413490199187 7 0.35799166431704 0.35799166431704 8 0.54815637920382 0.54815637920382 kloop=151 k1= 0.00000 k2= -0.42857 k3= 0.14286 1 -0.65956715554598 -0.65956715554598 2 -0.51085265537641 -0.51085265537641 3 -0.29324326922489 -0.29324326922489 4 -0.20591464343340 -0.20591464343340 5 0.25024417521557 0.25024417521557 6 0.37048795924005 0.37048795924005 7 0.42921643029271 0.42921643029271 8 0.52835934198861 0.52835934198861 kloop=152 k1= 0.00000 k2= -0.42857 k3= 0.28572 1 -0.61086727390127 -0.61086727390127 2 -0.47789457404019 -0.47789457404019 3 -0.39423645681929 -0.39423645681929 4 -0.26472940437868 -0.26472940437868 5 0.24938487377786 0.24938487377786 6 0.44795947252133 0.44795947252133 7 0.47813374015472 0.47813374015472 8 0.54174019802920 0.54174019802920 kloop=153 k1= 0.00000 k2= -0.42857 k3= 0.42857 1 -0.55147730231426 -0.55147730231426 2 -0.53604310615318 -0.53604310615318 3 -0.35617750075660 -0.35617750075660 4 -0.30007629619383 -0.30007629619383 5 0.23000352481522 0.23000352481522 6 0.30408410902200 0.30408410902200 7 0.56347323681803 0.56347323681803 8 0.59370217942441 0.59370217942441 kloop=154 k1= 0.00000 k2= -0.28572 k3= -0.42857 1 -0.68107107401571 -0.68107107401571 2 -0.42577725056110 -0.42577725056110 3 -0.29418314297210 -0.29418314297210 4 -0.27354923682024 -0.27354923682024 5 0.18230124167422 0.18230124167422 6 0.36622891736541 0.36622891736541 7 0.52386259280387 0.52386259280387 8 0.57726272266519 0.57726272266519 kloop=155 k1= 0.00000 k2= -0.28572 k3= -0.28571 1 -0.75323005828398 -0.75323005828398 2 -0.32066423709929 -0.32066423709929 3 -0.25772453992936 -0.25772453992936 4 -0.23554402829406 -0.23554402829406 5 0.12800775269379 0.12800775269379 6 0.37550148383252 0.37550148383252 7 0.46873636578847 0.46873636578847 8 0.50655821880777 0.50655821880777 kloop=156 k1= 0.00000 k2= -0.28572 k3= -0.14286 1 -0.78835651967256 -0.78835651967256 2 -0.28809128927553 -0.28809128927553 3 -0.23941103347249 -0.23941103347249 4 -0.19167572094375 -0.19167572094375 5 0.18171136372402 0.18171136372402 6 0.33221727244252 0.33221727244252 7 0.36326505179609 0.36326505179609 8 0.50107394916595 0.50107394916595 kloop=157 k1= 0.00000 k2= -0.28572 k3= 0.00000 1 -0.78256274286410 -0.78256274286410 2 -0.35409686806430 -0.35409686806430 3 -0.21134956105486 -0.21134956105486 4 -0.14683812599881 -0.14683812599881 5 0.20186005794787 0.20186005794787 6 0.29653736775049 0.29653736775049 7 0.32410747949247 0.32410747949247 8 0.53118261470158 0.53118261470158 kloop=158 k1= 0.00000 k2= -0.28572 k3= 0.14286 1 -0.73704142078515 -0.73704142078515 2 -0.39705731757188 -0.39705731757188 3 -0.29325188877890 -0.29325188877890 4 -0.17138126823155 -0.17138126823155 5 0.23321505783224 0.23321505783224 6 0.34285070455273 0.34285070455273 7 0.41003548282869 0.41003548282869 8 0.52629928481960 0.52629928481960 kloop=159 k1= 0.00000 k2= -0.28572 k3= 0.28572 1 -0.65823056627077 -0.65823056627077 2 -0.44367046539134 -0.44367046539134 3 -0.38484006668571 -0.38484006668571 4 -0.22930675273957 -0.22930675273957 5 0.26490616045824 0.26490616045824 6 0.42298488887584 0.42298488887584 7 0.46365073808538 0.46365073808538 8 0.56768212608419 0.56768212608419 kloop=160 k1= 0.00000 k2= -0.28572 k3= 0.42857 1 -0.59369845022943 -0.59369845022943 2 -0.52326816596498 -0.52326816596498 3 -0.35899053530693 -0.35899053530693 4 -0.26934253534688 -0.26934253534688 5 0.24276876520427 0.24276876520427 6 0.41038094193296 0.41038094193296 7 0.50774339841572 0.50774339841572 8 0.61368946518346 0.61368946518346 kloop=161 k1= 0.00000 k2= -0.14286 k3= -0.42857 1 -0.70212685734808 -0.70212685734808 2 -0.47422810943273 -0.47422810943273 3 -0.24711774195496 -0.24711774195496 4 -0.20232085390652 -0.20232085390652 5 0.21956272400863 0.21956272400863 6 0.35871274767664 0.35871274767664 7 0.44630366324049 0.44630366324049 8 0.62592127471532 0.62592127471532 kloop=162 k1= 0.00000 k2= -0.14286 k3= -0.28571 1 -0.78680502664624 -0.78680502664624 2 -0.33273375907313 -0.33273375907313 3 -0.22200096425825 -0.22200096425825 4 -0.14713256159707 -0.14713256159707 5 0.15164268004382 0.15164268004382 6 0.32928514447401 0.32928514447401 7 0.40239580577718 0.40239580577718 8 0.55689661233880 0.55689661233880 kloop=163 k1= 0.00000 k2= -0.14286 k3= -0.14286 1 -0.83583625386216 -0.83583625386216 2 -0.21450485266499 -0.21450485266499 3 -0.16848318788418 -0.16848318788418 4 -0.11305463504166 -0.11305463504166 5 0.11444293281458 0.11444293281458 6 0.25805437735488 0.25805437735488 7 0.30614902719793 0.30614902719793 8 0.51135214086952 0.51135214086952 kloop=164 k1= 0.00000 k2= -0.14286 k3= 0.00000 1 -0.84322565876048 -0.84322565876048 2 -0.18209606884576 -0.18209606884576 3 -0.17543861390234 -0.17543861390234 4 -0.10289670234838 -0.10289670234838 5 0.15258808643583 0.15258808643583 6 0.21287692981571 0.21287692981571 7 0.25894612399029 0.25894612399029 8 0.50786145198429 0.50786145198429 kloop=165 k1= 0.00000 k2= -0.14286 k3= 0.14286 1 -0.80822581941493 -0.80822581941493 2 -0.27625649843986 -0.27625649843986 3 -0.23000875055165 -0.23000875055165 4 -0.12886186371219 -0.12886186371219 5 0.19384725093789 0.19384725093789 6 0.27671137461318 0.27671137461318 7 0.33381995848869 0.33381995848869 8 0.53135490194969 0.53135490194969 kloop=166 k1= 0.00000 k2= -0.14286 k3= 0.28572 1 -0.73480107535141 -0.73480107535141 2 -0.42233782386361 -0.42233782386361 3 -0.25835878536328 -0.25835878536328 4 -0.18370084251320 -0.18370084251320 5 0.25634224011217 0.25634224011217 6 0.34410338022375 0.34410338022375 7 0.39176839998668 0.39176839998668 8 0.59198611372486 0.59198611372486 kloop=167 k1= 0.00000 k2= -0.14286 k3= 0.42857 1 -0.64376920034883 -0.64376920034883 2 -0.54715312365333 -0.54715312365333 3 -0.25778606564300 -0.25778606564300 4 -0.21784995497668 -0.21784995497668 5 0.25720445723399 0.25720445723399 6 0.36717205954568 0.36717205954568 7 0.43388007493311 0.43388007493311 8 0.64466019288842 0.64466019288842 kloop=168 k1= 0.00000 k2= -0.00000 k3= -0.42857 1 -0.68711756723076 -0.68711756723076 2 -0.52739431452420 -0.52739431452420 3 -0.21644413720619 -0.21644413720619 4 -0.15888821932746 -0.15888821932746 5 0.23641351630976 0.23641351630976 6 0.31392322253698 0.31392322253698 7 0.40618380494351 0.40618380494351 8 0.65269940047872 0.65269940047872 kloop=169 k1= 0.00000 k2= -0.00000 k3= -0.28571 1 -0.78035946684169 -0.78035946684169 2 -0.38369237237466 -0.38369237237466 3 -0.18836942630106 -0.18836942630106 4 -0.13111892513921 -0.13111892513921 5 0.21032261099193 0.21032261099193 6 0.27574759296570 0.27574759296570 7 0.36651662811071 0.36651662811071 8 0.59760409657780 0.59760409657780 kloop=170 k1= 0.00000 k2= -0.00000 k3= -0.14286 1 -0.84273647566661 -0.84273647566661 2 -0.23406073435147 -0.23406073435147 3 -0.13488039432168 -0.13488039432168 4 -0.07582672298121 -0.07582672298121 5 0.14390363531758 0.14390363531758 6 0.19574285916696 0.19574285916696 7 0.28717167294194 0.28717167294194 8 0.52585847475123 0.52585847475123 kloop=171 k1= 0.00000 k2= -0.00000 k3= 0.00000 1 -0.86428820748489 -0.86428820748489 2 -0.15684124140676 -0.15684124140676 3 -0.08914333844176 -0.08914333844176 4 -0.02477222949355 -0.02477222949355 5 0.08361793279297 0.08361793279297 6 0.14133956186519 0.14133956186519 7 0.21985161114549 0.21985161114549 8 0.49729705396527 0.49729705396527 *********************************************************** *********************************************************** Mulliken populations *********************************************************** *********************************************************** Total spin moment (muB) 0.000000000 Up spin Down spin Sum Diff 1 C 2.000000000 2.000000000 4.000000000 0.000000000 2 C 2.000000000 2.000000000 4.000000000 0.000000000 Sum of MulP: up = 4.00000 down = 4.00000 total= 8.00000 ideal(neutral)= 8.00000 Decomposed Mulliken populations 1 C Up spin Down spin Sum Diff multiple s 0 0.515216186 0.515216186 1.030432373 0.000000000 sum over m 0.515216186 0.515216186 1.030432373 0.000000000 sum over m+mul 0.515216186 0.515216186 1.030432373 0.000000000 px 0 0.493795100 0.493795100 0.987590200 0.000000000 py 0 0.495466396 0.495466396 0.990932791 0.000000000 pz 0 0.495522318 0.495522318 0.991044635 0.000000000 sum over m 1.484783814 1.484783814 2.969567627 0.000000000 sum over m+mul 1.484783814 1.484783814 2.969567627 0.000000000 2 C Up spin Down spin Sum Diff multiple s 0 0.515216186 0.515216186 1.030432373 0.000000000 sum over m 0.515216186 0.515216186 1.030432373 0.000000000 sum over m+mul 0.515216186 0.515216186 1.030432373 0.000000000 px 0 0.493795100 0.493795100 0.987590200 0.000000000 py 0 0.495466396 0.495466396 0.990932791 0.000000000 pz 0 0.495522318 0.495522318 0.991044635 0.000000000 sum over m 1.484783814 1.484783814 2.969567627 0.000000000 sum over m+mul 1.484783814 1.484783814 2.969567627 0.000000000 *********************************************************** *********************************************************** Dipole moment (Debye) *********************************************************** *********************************************************** Absolute D 0.00030219 Dx Dy Dz Total 0.00018746 0.00016473 0.00017041 Core 19.02069892 16.71515966 17.29154447 Electron -19.02051147 -16.71499493 -17.29137406 Back ground -0.00000000 -0.00000000 -0.00000000 *********************************************************** *********************************************************** xyz-coordinates (Ang) and forces (Hartree/Bohr) *********************************************************** *********************************************************** *********************************************************** *********************************************************** Fractional coordinates of the final structure *********************************************************** *********************************************************** 1 C 0.01966292134831 0.03651685393258 0.96910112359551 2 C 0.25000000000000 0.25000000000000 0.25000000000000 *********************************************************** *********************************************************** Computational Time (second) *********************************************************** *********************************************************** Elapsed.Time. 13.367 Min_ID Min_Time Max_ID Max_Time Total Computational Time = 0 13.367 0 13.367 readfile = 0 3.509 0 3.509 truncation = 0 0.000 0 0.000 MD_pac = 0 0.000 0 0.000 OutData = 0 0.045 0 0.045 DFT = 0 9.520 0 9.520 *** In DFT *** Set_OLP_Kin = 0 0.731 0 0.731 Set_Nonlocal = 0 2.473 0 2.473 Set_ProExpn_VNA = 0 1.705 0 1.705 Set_Hamiltonian = 0 0.130 0 0.130 Poisson = 0 0.001 0 0.001 Diagonalization = 0 0.718 0 0.718 Mixing_DM = 0 0.004 0 0.004 Force = 0 0.531 0 0.531 Total_Energy = 0 3.081 0 3.081 Set_Aden_Grid = 0 0.006 0 0.006 Set_Orbitals_Grid = 0 0.007 0 0.007 Set_Density_Grid = 0 0.112 0 0.112 RestartFileDFT = 0 0.000 0 0.000 Mulliken_Charge = 0 0.000 0 0.000 FFT(2D)_Density = 0 0.019 0 0.019 Others = 0 0.001 0 0.001