Program PWSCF v.5.1.1 starts on 19Jun2016 at 6: 4:23 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./MgGeP2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 98 59 16 3086 1460 217 Max 99 60 17 3088 1492 219 Sum 4705 2861 809 148203 70717 10487 bravais-lattice index = 14 lattice parameter (alat) = 12.6318 a.u. unit-cell volume = 1156.2610 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.631783 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.642021 celldm(5)= -0.642021 celldm(6)= 0.284043 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.284043 0.958812 0.000000 ) a(3) = ( -0.642021 -0.479406 0.598313 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.296245 0.835683 ) b(2) = ( 0.000000 1.042958 0.835683 ) b(3) = ( 0.000000 0.000000 1.671365 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mg read from file: /home/autes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Mg 10.00 24.30500 Mg( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.1420213 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4794058 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2991566 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 278 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0000000 0.0000000 0.0208921), wk = 0.0035971 k( 3) = ( 0.0000000 0.0000000 0.0417841), wk = 0.0035971 k( 4) = ( 0.0000000 0.0000000 0.0626762), wk = 0.0035971 k( 5) = ( 0.0000000 0.0000000 0.0835683), wk = 0.0035971 k( 6) = ( 0.0000000 0.0000000 0.1044603), wk = 0.0035971 k( 7) = ( 0.0000000 0.0000000 0.1253524), wk = 0.0035971 k( 8) = ( 0.0000000 0.0000000 0.1462445), wk = 0.0035971 k( 9) = ( 0.0000000 0.0000000 0.1671365), wk = 0.0035971 k( 10) = ( 0.0000000 0.0000000 0.1880286), wk = 0.0035971 k( 11) = ( 0.0000000 0.0000000 0.2089207), wk = 0.0035971 k( 12) = ( 0.0000000 0.0000000 0.2298128), wk = 0.0035971 k( 13) = ( 0.0000000 0.0000000 0.2507048), wk = 0.0035971 k( 14) = ( 0.0000000 0.0000000 0.2715969), wk = 0.0035971 k( 15) = ( 0.0000000 0.0000000 0.2924890), wk = 0.0035971 k( 16) = ( 0.0000000 0.0000000 0.3133810), wk = 0.0035971 k( 17) = ( 0.0000000 0.0000000 0.3342731), wk = 0.0035971 k( 18) = ( 0.0000000 0.0000000 0.3551652), wk = 0.0035971 k( 19) = ( 0.0000000 0.0000000 0.3760572), wk = 0.0035971 k( 20) = ( 0.0000000 0.0000000 0.3969493), wk = 0.0035971 k( 21) = ( 0.0000000 0.0000000 0.4178414), wk = 0.0035971 k( 22) = ( 0.0000000 0.0000000 0.4387334), wk = 0.0035971 k( 23) = ( 0.0000000 0.0000000 0.4596255), wk = 0.0035971 k( 24) = ( 0.0000000 0.0000000 0.4805176), wk = 0.0035971 k( 25) = ( 0.0000000 0.0000000 0.5014096), wk = 0.0035971 k( 26) = ( 0.0000000 0.0000000 0.5223017), wk = 0.0035971 k( 27) = ( 0.0000000 0.0000000 0.5431938), wk = 0.0035971 k( 28) = ( 0.0000000 0.0000000 0.5640859), wk = 0.0035971 k( 29) = ( 0.0000000 0.0000000 0.5849779), wk = 0.0035971 k( 30) = ( 0.0000000 0.0000000 0.6058700), wk = 0.0035971 k( 31) = ( 0.0000000 0.0000000 0.6267621), wk = 0.0035971 k( 32) = ( 0.0000000 0.0000000 0.6476541), wk = 0.0035971 k( 33) = ( 0.0000000 0.0000000 0.6685462), wk = 0.0035971 k( 34) = ( 0.0000000 0.0000000 0.6894383), wk = 0.0035971 k( 35) = ( 0.0000000 0.0000000 0.7103303), wk = 0.0035971 k( 36) = ( 0.0000000 0.0000000 0.7312224), wk = 0.0035971 k( 37) = ( 0.0000000 0.0000000 0.7521145), wk = 0.0035971 k( 38) = ( 0.0000000 0.0000000 0.7730065), wk = 0.0035971 k( 39) = ( 0.0000000 0.0000000 0.7938986), wk = 0.0035971 k( 40) = ( 0.0000000 0.0000000 0.8147907), wk = 0.0035971 k( 41) = ( 0.0000000 0.0000000 0.8356827), wk = 0.0035971 k( 42) = ( 0.0000000 0.0000000 0.8356827), wk = 0.0035971 k( 43) = ( -0.0126723 0.0169708 0.8356827), wk = 0.0035971 k( 44) = ( -0.0253446 0.0339415 0.8356827), wk = 0.0035971 k( 45) = ( -0.0380169 0.0509123 0.8356827), wk = 0.0035971 k( 46) = ( -0.0506892 0.0678830 0.8356827), wk = 0.0035971 k( 47) = ( -0.0633614 0.0848538 0.8356827), wk = 0.0035971 k( 48) = ( -0.0760337 0.1018245 0.8356827), wk = 0.0035971 k( 49) = ( -0.0887060 0.1187953 0.8356827), wk = 0.0035971 k( 50) = ( -0.1013783 0.1357660 0.8356827), wk = 0.0035971 k( 51) = ( -0.1140506 0.1527368 0.8356827), wk = 0.0035971 k( 52) = ( -0.1267229 0.1697076 0.8356827), wk = 0.0035971 k( 53) = ( -0.1393951 0.1866783 0.8356827), wk = 0.0035971 k( 54) = ( -0.1393951 0.1866783 0.8356827), wk = 0.0035971 k( 55) = ( -0.1479810 0.1981765 0.8213327), wk = 0.0035971 k( 56) = ( -0.1565668 0.2096746 0.8069826), wk = 0.0035971 k( 57) = ( -0.1651526 0.2211728 0.7926326), wk = 0.0035971 k( 58) = ( -0.1737385 0.2326709 0.7782825), wk = 0.0035971 k( 59) = ( -0.1823243 0.2441691 0.7639324), wk = 0.0035971 k( 60) = ( -0.1909101 0.2556673 0.7495824), wk = 0.0035971 k( 61) = ( -0.1994960 0.2671654 0.7352323), wk = 0.0035971 k( 62) = ( -0.2080818 0.2786636 0.7208823), wk = 0.0035971 k( 63) = ( -0.2166676 0.2901618 0.7065322), wk = 0.0035971 k( 64) = ( -0.2252534 0.3016599 0.6921821), wk = 0.0035971 k( 65) = ( -0.2338393 0.3131581 0.6778321), wk = 0.0035971 k( 66) = ( -0.2424251 0.3246562 0.6634820), wk = 0.0035971 k( 67) = ( -0.2510109 0.3361544 0.6491320), wk = 0.0035971 k( 68) = ( -0.2595968 0.3476526 0.6347819), wk = 0.0035971 k( 69) = ( -0.2681826 0.3591507 0.6204319), wk = 0.0035971 k( 70) = ( -0.2767684 0.3706489 0.6060818), wk = 0.0035971 k( 71) = ( -0.2853543 0.3821471 0.5917317), wk = 0.0035971 k( 72) = ( -0.2939401 0.3936452 0.5773817), wk = 0.0035971 k( 73) = ( -0.3025259 0.4051434 0.5630316), wk = 0.0035971 k( 74) = ( -0.3111118 0.4166416 0.5486816), wk = 0.0035971 k( 75) = ( -0.3196976 0.4281397 0.5343315), wk = 0.0035971 k( 76) = ( -0.3196976 0.4281397 0.5343315), wk = 0.0035971 k( 77) = ( -0.3108171 0.4162469 0.5194890), wk = 0.0035971 k( 78) = ( -0.3019366 0.4043542 0.5046464), wk = 0.0035971 k( 79) = ( -0.2930561 0.3924614 0.4898039), wk = 0.0035971 k( 80) = ( -0.2841756 0.3805686 0.4749613), wk = 0.0035971 k( 81) = ( -0.2752951 0.3686759 0.4601188), wk = 0.0035971 k( 82) = ( -0.2664146 0.3567831 0.4452763), wk = 0.0035971 k( 83) = ( -0.2575342 0.3448903 0.4304337), wk = 0.0035971 k( 84) = ( -0.2486537 0.3329976 0.4155912), wk = 0.0035971 k( 85) = ( -0.2397732 0.3211048 0.4007486), wk = 0.0035971 k( 86) = ( -0.2308927 0.3092120 0.3859061), wk = 0.0035971 k( 87) = ( -0.2220122 0.2973192 0.3710635), wk = 0.0035971 k( 88) = ( -0.2131317 0.2854265 0.3562210), wk = 0.0035971 k( 89) = ( -0.2042512 0.2735337 0.3413785), wk = 0.0035971 k( 90) = ( -0.1953707 0.2616409 0.3265359), wk = 0.0035971 k( 91) = ( -0.1864902 0.2497482 0.3116934), wk = 0.0035971 k( 92) = ( -0.1776098 0.2378554 0.2968508), wk = 0.0035971 k( 93) = ( -0.1687293 0.2259626 0.2820083), wk = 0.0035971 k( 94) = ( -0.1598488 0.2140699 0.2671658), wk = 0.0035971 k( 95) = ( -0.1509683 0.2021771 0.2523232), wk = 0.0035971 k( 96) = ( -0.1420878 0.1902843 0.2374807), wk = 0.0035971 k( 97) = ( -0.1332073 0.1783915 0.2226381), wk = 0.0035971 k( 98) = ( -0.1243268 0.1664988 0.2077956), wk = 0.0035971 k( 99) = ( -0.1154464 0.1546060 0.1929530), wk = 0.0035971 k( 100) = ( -0.1065659 0.1427132 0.1781105), wk = 0.0035971 k( 101) = ( -0.0976854 0.1308205 0.1632680), wk = 0.0035971 k( 102) = ( -0.0888049 0.1189277 0.1484254), wk = 0.0035971 k( 103) = ( -0.0799244 0.1070349 0.1335829), wk = 0.0035971 k( 104) = ( -0.0710439 0.0951422 0.1187403), wk = 0.0035971 k( 105) = ( -0.0621634 0.0832494 0.1038978), wk = 0.0035971 k( 106) = ( -0.0532829 0.0713566 0.0890553), wk = 0.0035971 k( 107) = ( -0.0444024 0.0594638 0.0742127), wk = 0.0035971 k( 108) = ( -0.0355219 0.0475711 0.0593702), wk = 0.0035971 k( 109) = ( -0.0266415 0.0356783 0.0445276), wk = 0.0035971 k( 110) = ( -0.0177610 0.0237855 0.0296851), wk = 0.0035971 k( 111) = ( -0.0088805 0.0118928 0.0148425), wk = 0.0035971 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 114) = ( 0.0166667 0.0124452 0.0000000), wk = 0.0035971 k( 115) = ( 0.0333333 0.0248904 0.0000000), wk = 0.0035971 k( 116) = ( 0.0500000 0.0373357 0.0000000), wk = 0.0035971 k( 117) = ( 0.0666667 0.0497809 0.0000000), wk = 0.0035971 k( 118) = ( 0.0833333 0.0622261 0.0000000), wk = 0.0035971 k( 119) = ( 0.1000000 0.0746713 0.0000000), wk = 0.0035971 k( 120) = ( 0.1166667 0.0871165 0.0000000), wk = 0.0035971 k( 121) = ( 0.1333333 0.0995618 0.0000000), wk = 0.0035971 k( 122) = ( 0.1500000 0.1120070 0.0000000), wk = 0.0035971 k( 123) = ( 0.1666667 0.1244522 0.0000000), wk = 0.0035971 k( 124) = ( 0.1833333 0.1368974 0.0000000), wk = 0.0035971 k( 125) = ( 0.2000000 0.1493426 0.0000000), wk = 0.0035971 k( 126) = ( 0.2166667 0.1617879 0.0000000), wk = 0.0035971 k( 127) = ( 0.2333333 0.1742331 0.0000000), wk = 0.0035971 k( 128) = ( 0.2500000 0.1866783 0.0000000), wk = 0.0035971 k( 129) = ( 0.2666667 0.1991235 0.0000000), wk = 0.0035971 k( 130) = ( 0.2833333 0.2115687 0.0000000), wk = 0.0035971 k( 131) = ( 0.3000000 0.2240140 0.0000000), wk = 0.0035971 k( 132) = ( 0.3166667 0.2364592 0.0000000), wk = 0.0035971 k( 133) = ( 0.3333333 0.2489044 0.0000000), wk = 0.0035971 k( 134) = ( 0.3500000 0.2613496 0.0000000), wk = 0.0035971 k( 135) = ( 0.3666667 0.2737948 0.0000000), wk = 0.0035971 k( 136) = ( 0.3833333 0.2862401 0.0000000), wk = 0.0035971 k( 137) = ( 0.4000000 0.2986853 0.0000000), wk = 0.0035971 k( 138) = ( 0.4166667 0.3111305 0.0000000), wk = 0.0035971 k( 139) = ( 0.4333333 0.3235757 0.0000000), wk = 0.0035971 k( 140) = ( 0.4500000 0.3360209 0.0000000), wk = 0.0035971 k( 141) = ( 0.4666667 0.3484662 0.0000000), wk = 0.0035971 k( 142) = ( 0.4833333 0.3609114 0.0000000), wk = 0.0035971 k( 143) = ( 0.5000000 0.3733566 0.0000000), wk = 0.0035971 k( 144) = ( 0.5000000 0.3733566 0.0000000), wk = 0.0035971 k( 145) = ( 0.4914142 0.3848548 0.0143501), wk = 0.0035971 k( 146) = ( 0.4828283 0.3963529 0.0287001), wk = 0.0035971 k( 147) = ( 0.4742425 0.4078511 0.0430502), wk = 0.0035971 k( 148) = ( 0.4656567 0.4193493 0.0574002), wk = 0.0035971 k( 149) = ( 0.4570708 0.4308474 0.0717503), wk = 0.0035971 k( 150) = ( 0.4484850 0.4423456 0.0861004), wk = 0.0035971 k( 151) = ( 0.4398992 0.4538437 0.1004504), wk = 0.0035971 k( 152) = ( 0.4313134 0.4653419 0.1148005), wk = 0.0035971 k( 153) = ( 0.4227275 0.4768401 0.1291505), wk = 0.0035971 k( 154) = ( 0.4141417 0.4883382 0.1435006), wk = 0.0035971 k( 155) = ( 0.4055559 0.4998364 0.1578507), wk = 0.0035971 k( 156) = ( 0.3969700 0.5113346 0.1722007), wk = 0.0035971 k( 157) = ( 0.3883842 0.5228327 0.1865508), wk = 0.0035971 k( 158) = ( 0.3797984 0.5343309 0.2009008), wk = 0.0035971 k( 159) = ( 0.3712126 0.5458290 0.2152509), wk = 0.0035971 k( 160) = ( 0.3626267 0.5573272 0.2296009), wk = 0.0035971 k( 161) = ( 0.3540409 0.5688254 0.2439510), wk = 0.0035971 k( 162) = ( 0.3454551 0.5803235 0.2583011), wk = 0.0035971 k( 163) = ( 0.3368692 0.5918217 0.2726511), wk = 0.0035971 k( 164) = ( 0.3282834 0.6033198 0.2870012), wk = 0.0035971 k( 165) = ( 0.3196976 0.6148180 0.3013512), wk = 0.0035971 k( 166) = ( 0.3196976 0.6148180 0.3013512), wk = 0.0035971 k( 167) = ( 0.3008918 0.6093275 0.3082036), wk = 0.0035971 k( 168) = ( 0.2820861 0.6038369 0.3150560), wk = 0.0035971 k( 169) = ( 0.2632804 0.5983464 0.3219083), wk = 0.0035971 k( 170) = ( 0.2444746 0.5928559 0.3287607), wk = 0.0035971 k( 171) = ( 0.2256689 0.5873653 0.3356130), wk = 0.0035971 k( 172) = ( 0.2068631 0.5818748 0.3424654), wk = 0.0035971 k( 173) = ( 0.1880574 0.5763842 0.3493178), wk = 0.0035971 k( 174) = ( 0.1692517 0.5708937 0.3561701), wk = 0.0035971 k( 175) = ( 0.1504459 0.5654032 0.3630225), wk = 0.0035971 k( 176) = ( 0.1316402 0.5599126 0.3698748), wk = 0.0035971 k( 177) = ( 0.1128344 0.5544221 0.3767272), wk = 0.0035971 k( 178) = ( 0.0940287 0.5489315 0.3835796), wk = 0.0035971 k( 179) = ( 0.0752230 0.5434410 0.3904319), wk = 0.0035971 k( 180) = ( 0.0564172 0.5379505 0.3972843), wk = 0.0035971 k( 181) = ( 0.0376115 0.5324599 0.4041367), wk = 0.0035971 k( 182) = ( 0.0188057 0.5269694 0.4109890), wk = 0.0035971 k( 183) = ( 0.0000000 0.5214789 0.4178414), wk = 0.0035971 k( 184) = ( 0.0000000 0.5214789 0.4178414), wk = 0.0035971 k( 185) = ( 0.0089286 0.5095217 0.4327643), wk = 0.0035971 k( 186) = ( 0.0178571 0.4975645 0.4476872), wk = 0.0035971 k( 187) = ( 0.0267857 0.4856074 0.4626101), wk = 0.0035971 k( 188) = ( 0.0357143 0.4736502 0.4775330), wk = 0.0035971 k( 189) = ( 0.0446429 0.4616930 0.4924559), wk = 0.0035971 k( 190) = ( 0.0535714 0.4497359 0.5073788), wk = 0.0035971 k( 191) = ( 0.0625000 0.4377787 0.5223017), wk = 0.0035971 k( 192) = ( 0.0714286 0.4258216 0.5372246), wk = 0.0035971 k( 193) = ( 0.0803571 0.4138644 0.5521475), wk = 0.0035971 k( 194) = ( 0.0892857 0.4019072 0.5670704), wk = 0.0035971 k( 195) = ( 0.0982143 0.3899501 0.5819933), wk = 0.0035971 k( 196) = ( 0.1071429 0.3779929 0.5969163), wk = 0.0035971 k( 197) = ( 0.1160714 0.3660357 0.6118392), wk = 0.0035971 k( 198) = ( 0.1250000 0.3540786 0.6267621), wk = 0.0035971 k( 199) = ( 0.1339286 0.3421214 0.6416850), wk = 0.0035971 k( 200) = ( 0.1428571 0.3301643 0.6566079), wk = 0.0035971 k( 201) = ( 0.1517857 0.3182071 0.6715308), wk = 0.0035971 k( 202) = ( 0.1607143 0.3062499 0.6864537), wk = 0.0035971 k( 203) = ( 0.1696429 0.2942928 0.7013766), wk = 0.0035971 k( 204) = ( 0.1785714 0.2823356 0.7162995), wk = 0.0035971 k( 205) = ( 0.1875000 0.2703784 0.7312224), wk = 0.0035971 k( 206) = ( 0.1964286 0.2584213 0.7461453), wk = 0.0035971 k( 207) = ( 0.2053571 0.2464641 0.7610682), wk = 0.0035971 k( 208) = ( 0.2142857 0.2345070 0.7759911), wk = 0.0035971 k( 209) = ( 0.2232143 0.2225498 0.7909140), wk = 0.0035971 k( 210) = ( 0.2321429 0.2105926 0.8058369), wk = 0.0035971 k( 211) = ( 0.2410714 0.1986355 0.8207598), wk = 0.0035971 k( 212) = ( 0.2500000 0.1866783 0.8356827), wk = 0.0035971 k( 213) = ( 0.2500000 0.1866783 0.8356827), wk = 0.0035971 k( 214) = ( 0.2631579 0.1965035 0.8234206), wk = 0.0035971 k( 215) = ( 0.2763158 0.2063287 0.8111585), wk = 0.0035971 k( 216) = ( 0.2894737 0.2161538 0.7988964), wk = 0.0035971 k( 217) = ( 0.3026316 0.2259790 0.7866343), wk = 0.0035971 k( 218) = ( 0.3157895 0.2358042 0.7743721), wk = 0.0035971 k( 219) = ( 0.3289474 0.2456293 0.7621100), wk = 0.0035971 k( 220) = ( 0.3421053 0.2554545 0.7498479), wk = 0.0035971 k( 221) = ( 0.3552632 0.2652797 0.7375858), wk = 0.0035971 k( 222) = ( 0.3684211 0.2751049 0.7253237), wk = 0.0035971 k( 223) = ( 0.3815789 0.2849300 0.7130616), wk = 0.0035971 k( 224) = ( 0.3947368 0.2947552 0.7007994), wk = 0.0035971 k( 225) = ( 0.4078947 0.3045804 0.6885373), wk = 0.0035971 k( 226) = ( 0.4210526 0.3144056 0.6762752), wk = 0.0035971 k( 227) = ( 0.4342105 0.3242307 0.6640131), wk = 0.0035971 k( 228) = ( 0.4473684 0.3340559 0.6517510), wk = 0.0035971 k( 229) = ( 0.4605263 0.3438811 0.6394889), wk = 0.0035971 k( 230) = ( 0.4736842 0.3537063 0.6272267), wk = 0.0035971 k( 231) = ( 0.4868421 0.3635314 0.6149646), wk = 0.0035971 k( 232) = ( 0.5000000 0.3733566 0.6027025), wk = 0.0035971 k( 233) = ( 0.5000000 0.3733566 0.6027025), wk = 0.0035971 k( 234) = ( 0.5000000 0.3733566 0.5819197), wk = 0.0035971 k( 235) = ( 0.5000000 0.3733566 0.5611368), wk = 0.0035971 k( 236) = ( 0.5000000 0.3733566 0.5403540), wk = 0.0035971 k( 237) = ( 0.5000000 0.3733566 0.5195711), wk = 0.0035971 k( 238) = ( 0.5000000 0.3733566 0.4987883), wk = 0.0035971 k( 239) = ( 0.5000000 0.3733566 0.4780054), wk = 0.0035971 k( 240) = ( 0.5000000 0.3733566 0.4572226), wk = 0.0035971 k( 241) = ( 0.5000000 0.3733566 0.4364397), wk = 0.0035971 k( 242) = ( 0.5000000 0.3733566 0.4156569), wk = 0.0035971 k( 243) = ( 0.5000000 0.3733566 0.3948741), wk = 0.0035971 k( 244) = ( 0.5000000 0.3733566 0.3740912), wk = 0.0035971 k( 245) = ( 0.5000000 0.3733566 0.3533084), wk = 0.0035971 k( 246) = ( 0.5000000 0.3733566 0.3325255), wk = 0.0035971 k( 247) = ( 0.5000000 0.3733566 0.3117427), wk = 0.0035971 k( 248) = ( 0.5000000 0.3733566 0.2909598), wk = 0.0035971 k( 249) = ( 0.5000000 0.3733566 0.2701770), wk = 0.0035971 k( 250) = ( 0.5000000 0.3733566 0.2493941), wk = 0.0035971 k( 251) = ( 0.5000000 0.3733566 0.2286113), wk = 0.0035971 k( 252) = ( 0.5000000 0.3733566 0.2078284), wk = 0.0035971 k( 253) = ( 0.5000000 0.3733566 0.1870456), wk = 0.0035971 k( 254) = ( 0.5000000 0.3733566 0.1662628), wk = 0.0035971 k( 255) = ( 0.5000000 0.3733566 0.1454799), wk = 0.0035971 k( 256) = ( 0.5000000 0.3733566 0.1246971), wk = 0.0035971 k( 257) = ( 0.5000000 0.3733566 0.1039142), wk = 0.0035971 k( 258) = ( 0.5000000 0.3733566 0.0831314), wk = 0.0035971 k( 259) = ( 0.5000000 0.3733566 0.0623485), wk = 0.0035971 k( 260) = ( 0.5000000 0.3733566 0.0415657), wk = 0.0035971 k( 261) = ( 0.5000000 0.3733566 0.0207828), wk = 0.0035971 k( 262) = ( 0.5000000 0.3733566 0.0000000), wk = 0.0035971 k( 263) = ( 0.0000000 0.0000000 0.8356827), wk = 0.0035971 k( 264) = ( 0.0166667 0.0124452 0.8356827), wk = 0.0035971 k( 265) = ( 0.0333333 0.0248904 0.8356827), wk = 0.0035971 k( 266) = ( 0.0500000 0.0373357 0.8356827), wk = 0.0035971 k( 267) = ( 0.0666667 0.0497809 0.8356827), wk = 0.0035971 k( 268) = ( 0.0833333 0.0622261 0.8356827), wk = 0.0035971 k( 269) = ( 0.1000000 0.0746713 0.8356827), wk = 0.0035971 k( 270) = ( 0.1166667 0.0871165 0.8356827), wk = 0.0035971 k( 271) = ( 0.1333333 0.0995618 0.8356827), wk = 0.0035971 k( 272) = ( 0.1500000 0.1120070 0.8356827), wk = 0.0035971 k( 273) = ( 0.1666667 0.1244522 0.8356827), wk = 0.0035971 k( 274) = ( 0.1833333 0.1368974 0.8356827), wk = 0.0035971 k( 275) = ( 0.2000000 0.1493426 0.8356827), wk = 0.0035971 k( 276) = ( 0.2166667 0.1617879 0.8356827), wk = 0.0035971 k( 277) = ( 0.2333333 0.1742331 0.8356827), wk = 0.0035971 k( 278) = ( 0.2500000 0.1866783 0.8356827), wk = 0.0035971 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0035971 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0035971 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0035971 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0035971 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0035971 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0035971 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0035971 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0035971 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0035971 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0035971 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0035971 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0035971 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0035971 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0035971 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0035971 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0035971 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0035971 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0035971 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0035971 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035971 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0035971 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0035971 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0035971 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0035971 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0035971 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0035971 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0035971 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0035971 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0035971 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0035971 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0035971 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0035971 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0035971 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0035971 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0035971 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0035971 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0035971 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0035971 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0035971 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035971 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035971 k( 43) = ( -0.0126723 0.0126723 0.5000000), wk = 0.0035971 k( 44) = ( -0.0253446 0.0253446 0.5000000), wk = 0.0035971 k( 45) = ( -0.0380169 0.0380169 0.5000000), wk = 0.0035971 k( 46) = ( -0.0506892 0.0506892 0.5000000), wk = 0.0035971 k( 47) = ( -0.0633614 0.0633614 0.5000000), wk = 0.0035971 k( 48) = ( -0.0760337 0.0760337 0.5000000), wk = 0.0035971 k( 49) = ( -0.0887060 0.0887060 0.5000000), wk = 0.0035971 k( 50) = ( -0.1013783 0.1013783 0.5000000), wk = 0.0035971 k( 51) = ( -0.1140506 0.1140506 0.5000000), wk = 0.0035971 k( 52) = ( -0.1267229 0.1267229 0.5000000), wk = 0.0035971 k( 53) = ( -0.1393951 0.1393951 0.5000000), wk = 0.0035971 k( 54) = ( -0.1393951 0.1393951 0.5000000), wk = 0.0035971 k( 55) = ( -0.1479810 0.1479810 0.4914142), wk = 0.0035971 k( 56) = ( -0.1565668 0.1565668 0.4828283), wk = 0.0035971 k( 57) = ( -0.1651526 0.1651526 0.4742425), wk = 0.0035971 k( 58) = ( -0.1737385 0.1737385 0.4656567), wk = 0.0035971 k( 59) = ( -0.1823243 0.1823243 0.4570709), wk = 0.0035971 k( 60) = ( -0.1909101 0.1909101 0.4484850), wk = 0.0035971 k( 61) = ( -0.1994960 0.1994960 0.4398992), wk = 0.0035971 k( 62) = ( -0.2080818 0.2080818 0.4313134), wk = 0.0035971 k( 63) = ( -0.2166676 0.2166676 0.4227275), wk = 0.0035971 k( 64) = ( -0.2252534 0.2252535 0.4141417), wk = 0.0035971 k( 65) = ( -0.2338393 0.2338393 0.4055559), wk = 0.0035971 k( 66) = ( -0.2424251 0.2424251 0.3969700), wk = 0.0035971 k( 67) = ( -0.2510109 0.2510109 0.3883842), wk = 0.0035971 k( 68) = ( -0.2595968 0.2595968 0.3797984), wk = 0.0035971 k( 69) = ( -0.2681826 0.2681826 0.3712126), wk = 0.0035971 k( 70) = ( -0.2767684 0.2767684 0.3626267), wk = 0.0035971 k( 71) = ( -0.2853543 0.2853543 0.3540409), wk = 0.0035971 k( 72) = ( -0.2939401 0.2939401 0.3454551), wk = 0.0035971 k( 73) = ( -0.3025259 0.3025259 0.3368692), wk = 0.0035971 k( 74) = ( -0.3111118 0.3111118 0.3282834), wk = 0.0035971 k( 75) = ( -0.3196976 0.3196976 0.3196976), wk = 0.0035971 k( 76) = ( -0.3196976 0.3196976 0.3196976), wk = 0.0035971 k( 77) = ( -0.3108171 0.3108171 0.3108171), wk = 0.0035971 k( 78) = ( -0.3019366 0.3019366 0.3019366), wk = 0.0035971 k( 79) = ( -0.2930561 0.2930561 0.2930561), wk = 0.0035971 k( 80) = ( -0.2841756 0.2841756 0.2841756), wk = 0.0035971 k( 81) = ( -0.2752951 0.2752951 0.2752951), wk = 0.0035971 k( 82) = ( -0.2664146 0.2664146 0.2664147), wk = 0.0035971 k( 83) = ( -0.2575342 0.2575342 0.2575342), wk = 0.0035971 k( 84) = ( -0.2486537 0.2486537 0.2486537), wk = 0.0035971 k( 85) = ( -0.2397732 0.2397732 0.2397732), wk = 0.0035971 k( 86) = ( -0.2308927 0.2308927 0.2308927), wk = 0.0035971 k( 87) = ( -0.2220122 0.2220122 0.2220122), wk = 0.0035971 k( 88) = ( -0.2131317 0.2131317 0.2131317), wk = 0.0035971 k( 89) = ( -0.2042512 0.2042512 0.2042512), wk = 0.0035971 k( 90) = ( -0.1953707 0.1953707 0.1953707), wk = 0.0035971 k( 91) = ( -0.1864902 0.1864902 0.1864903), wk = 0.0035971 k( 92) = ( -0.1776098 0.1776098 0.1776098), wk = 0.0035971 k( 93) = ( -0.1687293 0.1687293 0.1687293), wk = 0.0035971 k( 94) = ( -0.1598488 0.1598488 0.1598488), wk = 0.0035971 k( 95) = ( -0.1509683 0.1509683 0.1509683), wk = 0.0035971 k( 96) = ( -0.1420878 0.1420878 0.1420878), wk = 0.0035971 k( 97) = ( -0.1332073 0.1332073 0.1332073), wk = 0.0035971 k( 98) = ( -0.1243268 0.1243268 0.1243268), wk = 0.0035971 k( 99) = ( -0.1154464 0.1154464 0.1154464), wk = 0.0035971 k( 100) = ( -0.1065659 0.1065659 0.1065659), wk = 0.0035971 k( 101) = ( -0.0976854 0.0976854 0.0976854), wk = 0.0035971 k( 102) = ( -0.0888049 0.0888049 0.0888049), wk = 0.0035971 k( 103) = ( -0.0799244 0.0799244 0.0799244), wk = 0.0035971 k( 104) = ( -0.0710439 0.0710439 0.0710439), wk = 0.0035971 k( 105) = ( -0.0621634 0.0621634 0.0621634), wk = 0.0035971 k( 106) = ( -0.0532829 0.0532829 0.0532829), wk = 0.0035971 k( 107) = ( -0.0444024 0.0444024 0.0444024), wk = 0.0035971 k( 108) = ( -0.0355219 0.0355219 0.0355219), wk = 0.0035971 k( 109) = ( -0.0266415 0.0266415 0.0266415), wk = 0.0035971 k( 110) = ( -0.0177610 0.0177610 0.0177610), wk = 0.0035971 k( 111) = ( -0.0088805 0.0088805 0.0088805), wk = 0.0035971 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 114) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0035971 k( 115) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0035971 k( 116) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0035971 k( 117) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0035971 k( 118) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0035971 k( 119) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0035971 k( 120) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0035971 k( 121) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0035971 k( 122) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0035971 k( 123) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0035971 k( 124) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0035971 k( 125) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0035971 k( 126) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0035971 k( 127) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0035971 k( 128) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0035971 k( 129) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0035971 k( 130) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0035971 k( 131) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0035971 k( 132) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0035971 k( 133) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0035971 k( 134) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0035971 k( 135) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0035971 k( 136) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0035971 k( 137) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0035971 k( 138) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0035971 k( 139) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0035971 k( 140) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0035971 k( 141) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0035971 k( 142) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0035971 k( 143) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035971 k( 144) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035971 k( 145) = ( 0.4914142 0.5085858 -0.4914142), wk = 0.0035971 k( 146) = ( 0.4828283 0.5171717 -0.4828283), wk = 0.0035971 k( 147) = ( 0.4742425 0.5257575 -0.4742425), wk = 0.0035971 k( 148) = ( 0.4656567 0.5343433 -0.4656567), wk = 0.0035971 k( 149) = ( 0.4570708 0.5429291 -0.4570708), wk = 0.0035971 k( 150) = ( 0.4484850 0.5515150 -0.4484850), wk = 0.0035971 k( 151) = ( 0.4398992 0.5601008 -0.4398992), wk = 0.0035971 k( 152) = ( 0.4313134 0.5686866 -0.4313134), wk = 0.0035971 k( 153) = ( 0.4227275 0.5772725 -0.4227275), wk = 0.0035971 k( 154) = ( 0.4141417 0.5858583 -0.4141417), wk = 0.0035971 k( 155) = ( 0.4055559 0.5944441 -0.4055559), wk = 0.0035971 k( 156) = ( 0.3969700 0.6030300 -0.3969700), wk = 0.0035971 k( 157) = ( 0.3883842 0.6116158 -0.3883842), wk = 0.0035971 k( 158) = ( 0.3797984 0.6202016 -0.3797984), wk = 0.0035971 k( 159) = ( 0.3712126 0.6287874 -0.3712126), wk = 0.0035971 k( 160) = ( 0.3626267 0.6373733 -0.3626267), wk = 0.0035971 k( 161) = ( 0.3540409 0.6459591 -0.3540409), wk = 0.0035971 k( 162) = ( 0.3454551 0.6545449 -0.3454551), wk = 0.0035971 k( 163) = ( 0.3368692 0.6631308 -0.3368692), wk = 0.0035971 k( 164) = ( 0.3282834 0.6717166 -0.3282834), wk = 0.0035971 k( 165) = ( 0.3196976 0.6803024 -0.3196976), wk = 0.0035971 k( 166) = ( 0.3196976 0.6803024 -0.3196976), wk = 0.0035971 k( 167) = ( 0.3008918 0.6696964 -0.3008918), wk = 0.0035971 k( 168) = ( 0.2820861 0.6590904 -0.2820861), wk = 0.0035971 k( 169) = ( 0.2632804 0.6484843 -0.2632804), wk = 0.0035971 k( 170) = ( 0.2444746 0.6378783 -0.2444746), wk = 0.0035971 k( 171) = ( 0.2256689 0.6272723 -0.2256689), wk = 0.0035971 k( 172) = ( 0.2068631 0.6166663 -0.2068631), wk = 0.0035971 k( 173) = ( 0.1880574 0.6060602 -0.1880574), wk = 0.0035971 k( 174) = ( 0.1692517 0.5954542 -0.1692517), wk = 0.0035971 k( 175) = ( 0.1504459 0.5848482 -0.1504459), wk = 0.0035971 k( 176) = ( 0.1316402 0.5742422 -0.1316402), wk = 0.0035971 k( 177) = ( 0.1128344 0.5636362 -0.1128344), wk = 0.0035971 k( 178) = ( 0.0940287 0.5530301 -0.0940287), wk = 0.0035971 k( 179) = ( 0.0752230 0.5424241 -0.0752230), wk = 0.0035971 k( 180) = ( 0.0564172 0.5318181 -0.0564172), wk = 0.0035971 k( 181) = ( 0.0376115 0.5212120 -0.0376115), wk = 0.0035971 k( 182) = ( 0.0188057 0.5106060 -0.0188057), wk = 0.0035971 k( 183) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035971 k( 184) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035971 k( 185) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0035971 k( 186) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0035971 k( 187) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0035971 k( 188) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0035971 k( 189) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0035971 k( 190) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0035971 k( 191) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0035971 k( 192) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0035971 k( 193) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0035971 k( 194) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0035971 k( 195) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0035971 k( 196) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0035971 k( 197) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0035971 k( 198) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0035971 k( 199) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0035971 k( 200) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0035971 k( 201) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0035971 k( 202) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0035971 k( 203) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0035971 k( 204) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0035971 k( 205) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0035971 k( 206) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0035971 k( 207) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0035971 k( 208) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0035971 k( 209) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0035971 k( 210) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0035971 k( 211) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0035971 k( 212) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035971 k( 213) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035971 k( 214) = ( 0.2631579 0.2631579 0.2295055), wk = 0.0035971 k( 215) = ( 0.2763158 0.2763158 0.2090110), wk = 0.0035971 k( 216) = ( 0.2894737 0.2894737 0.1885166), wk = 0.0035971 k( 217) = ( 0.3026316 0.3026316 0.1680221), wk = 0.0035971 k( 218) = ( 0.3157895 0.3157895 0.1475276), wk = 0.0035971 k( 219) = ( 0.3289474 0.3289474 0.1270331), wk = 0.0035971 k( 220) = ( 0.3421053 0.3421053 0.1065386), wk = 0.0035971 k( 221) = ( 0.3552632 0.3552632 0.0860442), wk = 0.0035971 k( 222) = ( 0.3684211 0.3684211 0.0655497), wk = 0.0035971 k( 223) = ( 0.3815789 0.3815789 0.0450552), wk = 0.0035971 k( 224) = ( 0.3947368 0.3947368 0.0245607), wk = 0.0035971 k( 225) = ( 0.4078947 0.4078947 0.0040662), wk = 0.0035971 k( 226) = ( 0.4210526 0.4210526 -0.0164283), wk = 0.0035971 k( 227) = ( 0.4342105 0.4342105 -0.0369227), wk = 0.0035971 k( 228) = ( 0.4473684 0.4473684 -0.0574172), wk = 0.0035971 k( 229) = ( 0.4605263 0.4605263 -0.0779117), wk = 0.0035971 k( 230) = ( 0.4736842 0.4736842 -0.0984062), wk = 0.0035971 k( 231) = ( 0.4868421 0.4868421 -0.1189007), wk = 0.0035971 k( 232) = ( 0.5000000 0.5000000 -0.1393952), wk = 0.0035971 k( 233) = ( 0.5000000 0.5000000 -0.1393952), wk = 0.0035971 k( 234) = ( 0.5000000 0.5000000 -0.1518298), wk = 0.0035971 k( 235) = ( 0.5000000 0.5000000 -0.1642645), wk = 0.0035971 k( 236) = ( 0.5000000 0.5000000 -0.1766991), wk = 0.0035971 k( 237) = ( 0.5000000 0.5000000 -0.1891337), wk = 0.0035971 k( 238) = ( 0.5000000 0.5000000 -0.2015684), wk = 0.0035971 k( 239) = ( 0.5000000 0.5000000 -0.2140031), wk = 0.0035971 k( 240) = ( 0.5000000 0.5000000 -0.2264377), wk = 0.0035971 k( 241) = ( 0.5000000 0.5000000 -0.2388724), wk = 0.0035971 k( 242) = ( 0.5000000 0.5000000 -0.2513070), wk = 0.0035971 k( 243) = ( 0.5000000 0.5000000 -0.2637416), wk = 0.0035971 k( 244) = ( 0.5000000 0.5000000 -0.2761763), wk = 0.0035971 k( 245) = ( 0.5000000 0.5000000 -0.2886109), wk = 0.0035971 k( 246) = ( 0.5000000 0.5000000 -0.3010456), wk = 0.0035971 k( 247) = ( 0.5000000 0.5000000 -0.3134803), wk = 0.0035971 k( 248) = ( 0.5000000 0.5000000 -0.3259149), wk = 0.0035971 k( 249) = ( 0.5000000 0.5000000 -0.3383495), wk = 0.0035971 k( 250) = ( 0.5000000 0.5000000 -0.3507842), wk = 0.0035971 k( 251) = ( 0.5000000 0.5000000 -0.3632188), wk = 0.0035971 k( 252) = ( 0.5000000 0.5000000 -0.3756535), wk = 0.0035971 k( 253) = ( 0.5000000 0.5000000 -0.3880882), wk = 0.0035971 k( 254) = ( 0.5000000 0.5000000 -0.4005228), wk = 0.0035971 k( 255) = ( 0.5000000 0.5000000 -0.4129575), wk = 0.0035971 k( 256) = ( 0.5000000 0.5000000 -0.4253921), wk = 0.0035971 k( 257) = ( 0.5000000 0.5000000 -0.4378267), wk = 0.0035971 k( 258) = ( 0.5000000 0.5000000 -0.4502614), wk = 0.0035971 k( 259) = ( 0.5000000 0.5000000 -0.4626961), wk = 0.0035971 k( 260) = ( 0.5000000 0.5000000 -0.4751307), wk = 0.0035971 k( 261) = ( 0.5000000 0.5000000 -0.4875654), wk = 0.0035971 k( 262) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035971 k( 263) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035971 k( 264) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0035971 k( 265) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0035971 k( 266) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0035971 k( 267) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0035971 k( 268) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0035971 k( 269) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0035971 k( 270) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0035971 k( 271) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0035971 k( 272) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0035971 k( 273) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0035971 k( 274) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0035971 k( 275) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0035971 k( 276) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0035971 k( 277) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0035971 k( 278) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035971 Dense grid: 148203 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 70717 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 376, 58) NL pseudopotentials 0.55 Mb ( 188, 192) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.02 Mb ( 3087) G-vector shells 0.01 Mb ( 1416) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.33 Mb ( 376, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.34 Mb ( 192, 2, 58) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./MgGeP2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.5 secs Computing kpt #: 2 total cpu time spent up to now is 49.7 secs Computing kpt #: 3 total cpu time spent up to now is 54.2 secs Computing kpt #: 4 total cpu time spent up to now is 58.7 secs Computing kpt #: 5 total cpu time spent up to now is 63.0 secs Computing kpt #: 6 total cpu time spent up to now is 67.4 secs Computing kpt #: 7 total cpu time spent up to now is 71.2 secs Computing kpt #: 8 total cpu time spent up to now is 75.3 secs Computing kpt #: 9 total cpu time spent up to now is 79.0 secs Computing kpt #: 10 total cpu time spent up to now is 82.7 secs Computing kpt #: 11 total cpu time spent up to now is 86.5 secs Computing kpt #: 12 total cpu time spent up to now is 90.4 secs Computing kpt #: 13 total cpu time spent up to now is 94.3 secs Computing kpt #: 14 total cpu time spent up to now is 98.3 secs Computing kpt #: 15 total cpu time spent up to now is 102.5 secs Computing kpt #: 16 total cpu time spent up to now is 106.9 secs Computing kpt #: 17 total cpu time spent up to now is 111.5 secs Computing kpt #: 18 total cpu time spent up to now is 116.2 secs Computing kpt #: 19 total cpu time spent up to now is 120.7 secs Computing kpt #: 20 total cpu time spent up to now is 125.4 secs Computing kpt #: 21 total cpu time spent up to now is 130.2 secs Computing kpt #: 22 total cpu time spent up to now is 135.0 secs Computing kpt #: 23 total cpu time spent up to now is 139.7 secs Computing kpt #: 24 total cpu time spent up to now is 144.6 secs Computing kpt #: 25 total cpu time spent up to now is 149.7 secs Computing kpt #: 26 total cpu time spent up to now is 154.6 secs Computing kpt #: 27 total cpu time spent up to now is 159.5 secs Computing kpt #: 28 total cpu time spent up to now is 166.6 secs Computing kpt #: 29 total cpu time spent up to now is 171.4 secs Computing kpt #: 30 total cpu time spent up to now is 176.5 secs Computing kpt #: 31 total cpu time spent up to now is 181.2 secs Computing kpt #: 32 total cpu time spent up to now is 185.8 secs Computing kpt #: 33 total cpu time spent up to now is 190.5 secs Computing kpt #: 34 total cpu time spent up to now is 195.3 secs Computing kpt #: 35 total cpu time spent up to now is 200.1 secs Computing kpt #: 36 total cpu time spent up to now is 205.6 secs Computing kpt #: 37 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 213.1 secs Computing kpt #: 38 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.5 secs Computing kpt #: 39 total cpu time spent up to now is 226.9 secs Computing kpt #: 40 total cpu time spent up to now is 231.7 secs Computing kpt #: 41 total cpu time spent up to now is 236.3 secs Computing kpt #: 42 total cpu time spent up to now is 241.0 secs Computing kpt #: 43 total cpu time spent up to now is 245.7 secs Computing kpt #: 44 total cpu time spent up to now is 250.4 secs Computing kpt #: 45 total cpu time spent up to now is 255.2 secs Computing kpt #: 46 total cpu time spent up to now is 260.0 secs Computing kpt #: 47 total cpu time spent up to now is 264.9 secs Computing kpt #: 48 total cpu time spent up to now is 270.4 secs Computing kpt #: 49 total cpu time spent up to now is 276.7 secs Computing kpt #: 50 total cpu time spent up to now is 281.3 secs Computing kpt #: 51 total cpu time spent up to now is 286.2 secs Computing kpt #: 52 total cpu time spent up to now is 291.1 secs Computing kpt #: 53 total cpu time spent up to now is 295.9 secs Computing kpt #: 54 total cpu time spent up to now is 301.3 secs Computing kpt #: 55 total cpu time spent up to now is 306.7 secs Computing kpt #: 56 total cpu time spent up to now is 312.2 secs Computing kpt #: 57 total cpu time spent up to now is 317.1 secs Computing kpt #: 58 total cpu time spent up to now is 322.0 secs Computing kpt #: 59 total cpu time spent up to now is 326.8 secs Computing kpt #: 60 total cpu time spent up to now is 331.5 secs Computing kpt #: 61 total cpu time spent up to now is 335.8 secs Computing kpt #: 62 total cpu time spent up to now is 339.9 secs Computing kpt #: 63 total cpu time spent up to now is 343.8 secs Computing kpt #: 64 total cpu time spent up to now is 348.0 secs Computing kpt #: 65 total cpu time spent up to now is 352.1 secs Computing kpt #: 66 total cpu time spent up to now is 356.2 secs Computing kpt #: 67 total cpu time spent up to now is 360.3 secs Computing kpt #: 68 total cpu time spent up to now is 364.5 secs Computing kpt #: 69 total cpu time spent up to now is 368.6 secs Computing kpt #: 70 total cpu time spent up to now is 372.8 secs Computing kpt #: 71 total cpu time spent up to now is 376.9 secs Computing kpt #: 72 total cpu time spent up to now is 381.0 secs Computing kpt #: 73 total cpu time spent up to now is 385.2 secs Computing kpt #: 74 total cpu time spent up to now is 389.5 secs Computing kpt #: 75 total cpu time spent up to now is 393.7 secs Computing kpt #: 76 total cpu time spent up to now is 397.8 secs Computing kpt #: 77 total cpu time spent up to now is 402.3 secs Computing kpt #: 78 total cpu time spent up to now is 407.0 secs Computing kpt #: 79 total cpu time spent up to now is 413.3 secs Computing kpt #: 80 total cpu time spent up to now is 418.3 secs Computing kpt #: 81 total cpu time spent up to now is 423.1 secs Computing kpt #: 82 total cpu time spent up to now is 427.9 secs Computing kpt #: 83 total cpu time spent up to now is 432.2 secs Computing kpt #: 84 total cpu time spent up to now is 436.6 secs Computing kpt #: 85 total cpu time spent up to now is 440.9 secs Computing kpt #: 86 total cpu time spent up to now is 445.6 secs Computing kpt #: 87 total cpu time spent up to now is 450.4 secs Computing kpt #: 88 total cpu time spent up to now is 455.4 secs Computing kpt #: 89 total cpu time spent up to now is 460.5 secs Computing kpt #: 90 total cpu time spent up to now is 465.4 secs Computing kpt #: 91 total cpu time spent up to now is 470.0 secs Computing kpt #: 92 total cpu time spent up to now is 474.1 secs Computing kpt #: 93 total cpu time spent up to now is 478.3 secs Computing kpt #: 94 total cpu time spent up to now is 482.3 secs Computing kpt #: 95 total cpu time spent up to now is 486.2 secs Computing kpt #: 96 total cpu time spent up to now is 490.0 secs Computing kpt #: 97 total cpu time spent up to now is 493.9 secs Computing kpt #: 98 total cpu time spent up to now is 497.9 secs Computing kpt #: 99 total cpu time spent up to now is 501.9 secs Computing kpt #: 100 total cpu time spent up to now is 505.7 secs Computing kpt #: 101 total cpu time spent up to now is 509.6 secs Computing kpt #: 102 total cpu time spent up to now is 513.4 secs Computing kpt #: 103 total cpu time spent up to now is 517.7 secs Computing kpt #: 104 total cpu time spent up to now is 521.5 secs Computing kpt #: 105 total cpu time spent up to now is 525.9 secs Computing kpt #: 106 total cpu time spent up to now is 530.0 secs Computing kpt #: 107 total cpu time spent up to now is 534.4 secs Computing kpt #: 108 total cpu time spent up to now is 538.9 secs Computing kpt #: 109 total cpu time spent up to now is 543.2 secs Computing kpt #: 110 total cpu time spent up to now is 547.1 secs Computing kpt #: 111 total cpu time spent up to now is 551.4 secs Computing kpt #: 112 total cpu time spent up to now is 555.1 secs Computing kpt #: 113 total cpu time spent up to now is 558.8 secs Computing kpt #: 114 total cpu time spent up to now is 562.8 secs Computing kpt #: 115 total cpu time spent up to now is 566.7 secs Computing kpt #: 116 total cpu time spent up to now is 570.5 secs Computing kpt #: 117 total cpu time spent up to now is 574.9 secs Computing kpt #: 118 total cpu time spent up to now is 579.3 secs Computing kpt #: 119 total cpu time spent up to now is 583.7 secs Computing kpt #: 120 total cpu time spent up to now is 588.3 secs Computing kpt #: 121 total cpu time spent up to now is 592.6 secs Computing kpt #: 122 total cpu time spent up to now is 596.6 secs Computing kpt #: 123 total cpu time spent up to now is 600.5 secs Computing kpt #: 124 total cpu time spent up to now is 604.5 secs Computing kpt #: 125 total cpu time spent up to now is 609.3 secs Computing kpt #: 126 total cpu time spent up to now is 614.2 secs Computing kpt #: 127 total cpu time spent up to now is 617.8 secs Computing kpt #: 128 total cpu time spent up to now is 621.2 secs Computing kpt #: 129 total cpu time spent up to now is 624.7 secs Computing kpt #: 130 total cpu time spent up to now is 628.2 secs Computing kpt #: 131 total cpu time spent up to now is 631.8 secs Computing kpt #: 132 total cpu time spent up to now is 635.4 secs Computing kpt #: 133 total cpu time spent up to now is 639.0 secs Computing kpt #: 134 total cpu time spent up to now is 642.6 secs Computing kpt #: 135 total cpu time spent up to now is 646.1 secs Computing kpt #: 136 total cpu time spent up to now is 649.7 secs Computing kpt #: 137 total cpu time spent up to now is 653.3 secs Computing kpt #: 138 total cpu time spent up to now is 656.8 secs Computing kpt #: 139 total cpu time spent up to now is 660.5 secs Computing kpt #: 140 total cpu time spent up to now is 664.1 secs Computing kpt #: 141 total cpu time spent up to now is 667.8 secs Computing kpt #: 142 total cpu time spent up to now is 672.2 secs Computing kpt #: 143 total cpu time spent up to now is 675.8 secs Computing kpt #: 144 total cpu time spent up to now is 679.4 secs Computing kpt #: 145 total cpu time spent up to now is 685.0 secs Computing kpt #: 146 total cpu time spent up to now is 689.7 secs Computing kpt #: 147 total cpu time spent up to now is 694.5 secs Computing kpt #: 148 total cpu time spent up to now is 699.4 secs Computing kpt #: 149 total cpu time spent up to now is 704.1 secs Computing kpt #: 150 total cpu time spent up to now is 708.8 secs Computing kpt #: 151 total cpu time spent up to now is 713.4 secs Computing kpt #: 152 total cpu time spent up to now is 718.1 secs Computing kpt #: 153 total cpu time spent up to now is 722.7 secs Computing kpt #: 154 total cpu time spent up to now is 727.3 secs Computing kpt #: 155 total cpu time spent up to now is 732.0 secs Computing kpt #: 156 total cpu time spent up to now is 736.7 secs Computing kpt #: 157 total cpu time spent up to now is 741.3 secs Computing kpt #: 158 total cpu time spent up to now is 745.9 secs Computing kpt #: 159 total cpu time spent up to now is 750.2 secs Computing kpt #: 160 total cpu time spent up to now is 754.7 secs Computing kpt #: 161 total cpu time spent up to now is 759.0 secs Computing kpt #: 162 total cpu time spent up to now is 763.1 secs Computing kpt #: 163 total cpu time spent up to now is 767.4 secs Computing kpt #: 164 total cpu time spent up to now is 771.5 secs Computing kpt #: 165 total cpu time spent up to now is 775.6 secs Computing kpt #: 166 total cpu time spent up to now is 779.8 secs Computing kpt #: 167 total cpu time spent up to now is 784.0 secs Computing kpt #: 168 total cpu time spent up to now is 788.2 secs Computing kpt #: 169 total cpu time spent up to now is 792.5 secs Computing kpt #: 170 total cpu time spent up to now is 797.2 secs Computing kpt #: 171 total cpu time spent up to now is 802.5 secs Computing kpt #: 172 total cpu time spent up to now is 807.6 secs Computing kpt #: 173 total cpu time spent up to now is 812.6 secs Computing kpt #: 174 total cpu time spent up to now is 817.6 secs Computing kpt #: 175 total cpu time spent up to now is 822.5 secs Computing kpt #: 176 total cpu time spent up to now is 827.3 secs Computing kpt #: 177 total cpu time spent up to now is 832.2 secs Computing kpt #: 178 total cpu time spent up to now is 837.1 secs Computing kpt #: 179 total cpu time spent up to now is 841.9 secs Computing kpt #: 180 total cpu time spent up to now is 846.7 secs Computing kpt #: 181 total cpu time spent up to now is 851.6 secs Computing kpt #: 182 total cpu time spent up to now is 856.1 secs Computing kpt #: 183 total cpu time spent up to now is 860.7 secs Computing kpt #: 184 total cpu time spent up to now is 865.3 secs Computing kpt #: 185 total cpu time spent up to now is 870.1 secs Computing kpt #: 186 total cpu time spent up to now is 874.8 secs Computing kpt #: 187 total cpu time spent up to now is 879.5 secs Computing kpt #: 188 total cpu time spent up to now is 884.2 secs Computing kpt #: 189 total cpu time spent up to now is 889.0 secs Computing kpt #: 190 total cpu time spent up to now is 893.8 secs Computing kpt #: 191 total cpu time spent up to now is 898.9 secs Computing kpt #: 192 total cpu time spent up to now is 904.5 secs Computing kpt #: 193 total cpu time spent up to now is 913.4 secs Computing kpt #: 194 total cpu time spent up to now is 918.5 secs Computing kpt #: 195 total cpu time spent up to now is 923.5 secs Computing kpt #: 196 total cpu time spent up to now is 928.6 secs Computing kpt #: 197 total cpu time spent up to now is 933.6 secs Computing kpt #: 198 total cpu time spent up to now is 938.2 secs Computing kpt #: 199 total cpu time spent up to now is 943.1 secs Computing kpt #: 200 total cpu time spent up to now is 948.0 secs Computing kpt #: 201 total cpu time spent up to now is 952.9 secs Computing kpt #: 202 total cpu time spent up to now is 957.8 secs Computing kpt #: 203 total cpu time spent up to now is 962.6 secs Computing kpt #: 204 total cpu time spent up to now is 967.3 secs Computing kpt #: 205 total cpu time spent up to now is 971.8 secs Computing kpt #: 206 total cpu time spent up to now is 976.4 secs Computing kpt #: 207 total cpu time spent up to now is 981.0 secs Computing kpt #: 208 total cpu time spent up to now is 985.7 secs Computing kpt #: 209 total cpu time spent up to now is 990.6 secs Computing kpt #: 210 total cpu time spent up to now is 996.8 secs Computing kpt #: 211 total cpu time spent up to now is 1003.1 secs Computing kpt #: 212 total cpu time spent up to now is 1009.4 secs Computing kpt #: 213 total cpu time spent up to now is 1016.5 secs Computing kpt #: 214 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1023.9 secs Computing kpt #: 215 total cpu time spent up to now is 1030.1 secs Computing kpt #: 216 total cpu time spent up to now is 1035.6 secs Computing kpt #: 217 total cpu time spent up to now is 1041.0 secs Computing kpt #: 218 total cpu time spent up to now is 1046.4 secs Computing kpt #: 219 total cpu time spent up to now is 1051.8 secs Computing kpt #: 220 total cpu time spent up to now is 1056.7 secs Computing kpt #: 221 total cpu time spent up to now is 1062.1 secs Computing kpt #: 222 total cpu time spent up to now is 1067.6 secs Computing kpt #: 223 total cpu time spent up to now is 1073.0 secs Computing kpt #: 224 total cpu time spent up to now is 1078.5 secs Computing kpt #: 225 total cpu time spent up to now is 1084.2 secs Computing kpt #: 226 total cpu time spent up to now is 1089.9 secs Computing kpt #: 227 total cpu time spent up to now is 1095.5 secs Computing kpt #: 228 total cpu time spent up to now is 1101.2 secs Computing kpt #: 229 total cpu time spent up to now is 1106.8 secs Computing kpt #: 230 total cpu time spent up to now is 1112.4 secs Computing kpt #: 231 total cpu time spent up to now is 1117.4 secs Computing kpt #: 232 total cpu time spent up to now is 1122.2 secs Computing kpt #: 233 total cpu time spent up to now is 1127.0 secs Computing kpt #: 234 total cpu time spent up to now is 1131.9 secs Computing kpt #: 235 total cpu time spent up to now is 1136.8 secs Computing kpt #: 236 total cpu time spent up to now is 1141.6 secs Computing kpt #: 237 total cpu time spent up to now is 1146.6 secs Computing kpt #: 238 total cpu time spent up to now is 1151.9 secs Computing kpt #: 239 total cpu time spent up to now is 1156.7 secs Computing kpt #: 240 total cpu time spent up to now is 1161.5 secs Computing kpt #: 241 total cpu time spent up to now is 1166.1 secs Computing kpt #: 242 total cpu time spent up to now is 1170.8 secs Computing kpt #: 243 total cpu time spent up to now is 1175.5 secs Computing kpt #: 244 total cpu time spent up to now is 1180.2 secs Computing kpt #: 245 total cpu time spent up to now is 1184.9 secs Computing kpt #: 246 total cpu time spent up to now is 1189.5 secs Computing kpt #: 247 total cpu time spent up to now is 1194.5 secs Computing kpt #: 248 total cpu time spent up to now is 1199.1 secs Computing kpt #: 249 total cpu time spent up to now is 1204.0 secs Computing kpt #: 250 total cpu time spent up to now is 1210.7 secs Computing kpt #: 251 total cpu time spent up to now is 1215.7 secs Computing kpt #: 252 total cpu time spent up to now is 1220.3 secs Computing kpt #: 253 total cpu time spent up to now is 1224.9 secs Computing kpt #: 254 total cpu time spent up to now is 1229.5 secs Computing kpt #: 255 total cpu time spent up to now is 1234.1 secs Computing kpt #: 256 total cpu time spent up to now is 1238.7 secs Computing kpt #: 257 total cpu time spent up to now is 1243.5 secs Computing kpt #: 258 total cpu time spent up to now is 1248.3 secs Computing kpt #: 259 total cpu time spent up to now is 1253.1 secs Computing kpt #: 260 total cpu time spent up to now is 1257.8 secs Computing kpt #: 261 total cpu time spent up to now is 1263.3 secs Computing kpt #: 262 total cpu time spent up to now is 1266.9 secs Computing kpt #: 263 total cpu time spent up to now is 1271.6 secs Computing kpt #: 264 total cpu time spent up to now is 1276.3 secs Computing kpt #: 265 total cpu time spent up to now is 1281.9 secs Computing kpt #: 266 total cpu time spent up to now is 1287.3 secs Computing kpt #: 267 total cpu time spent up to now is 1292.8 secs Computing kpt #: 268 total cpu time spent up to now is 1298.4 secs Computing kpt #: 269 total cpu time spent up to now is 1304.0 secs Computing kpt #: 270 total cpu time spent up to now is 1309.5 secs Computing kpt #: 271 total cpu time spent up to now is 1316.5 secs Computing kpt #: 272 total cpu time spent up to now is 1322.0 secs Computing kpt #: 273 total cpu time spent up to now is 1328.5 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1335.8 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1343.3 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1350.9 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1358.5 secs Computing kpt #: 278 total cpu time spent up to now is 1364.9 secs ethr = 2.08E-11, avg # of iterations = 48.2 total cpu time spent up to now is 1365.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8845 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4589 -36.4589 -36.4577 -36.4577 -36.1796 -36.1796 -36.1782 -36.1782 -36.1615 -36.1615 -36.1606 -36.1606 -7.3677 -7.3677 -4.3027 -4.3027 -4.2851 -4.2851 -4.2565 -4.2565 -3.8302 -3.8302 -0.3503 -0.3503 1.2129 1.2129 1.2757 1.2757 1.4978 1.4978 1.9727 1.9727 2.1602 2.1602 3.3746 3.3746 3.3831 3.3831 4.9986 4.9986 5.0551 5.0551 5.1609 5.1609 6.6902 6.6902 7.1987 7.1987 7.4623 7.4623 8.7855 8.7855 8.9161 8.9161 k = 0.0000 0.0000 0.0209 ( 8841 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4589 -36.4589 -36.4577 -36.4577 -36.1796 -36.1796 -36.1782 -36.1782 -36.1615 -36.1615 -36.1606 -36.1606 -7.3669 -7.3669 -4.3092 -4.3071 -4.2896 -4.2891 -4.2575 -4.2552 -3.8218 -3.8217 -0.3516 -0.3509 1.2083 1.2147 1.2725 1.2745 1.5015 1.5062 1.9720 1.9741 2.1617 2.1633 3.3727 3.3744 3.3824 3.3834 4.9922 4.9941 5.0501 5.0502 5.1573 5.1584 6.6939 6.6960 7.2059 7.2059 7.4663 7.4674 8.7779 8.7920 8.9144 8.9144 k = 0.0000 0.0000 0.0418 ( 8839 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4589 -36.4589 -36.4578 -36.4578 -36.1796 -36.1796 -36.1782 -36.1782 -36.1614 -36.1614 -36.1606 -36.1606 -7.3643 -7.3643 -4.3303 -4.3269 -4.2964 -4.2949 -4.2580 -4.2547 -3.7980 -3.7979 -0.3547 -0.3534 1.2016 1.2137 1.2656 1.2695 1.5167 1.5253 1.9719 1.9763 2.1677 2.1708 3.3665 3.3699 3.3840 3.3861 4.9712 4.9750 5.0392 5.0400 5.1480 5.1497 6.7068 6.7111 7.2269 7.2269 7.4794 7.4816 8.7707 8.7966 8.9093 8.9109 k = 0.0000 0.0000 0.0627 ( 8841 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4589 -36.4589 -36.4578 -36.4578 -36.1796 -36.1796 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.3600 -7.3599 -4.3642 -4.3610 -4.3025 -4.3006 -4.2586 -4.2550 -3.7625 -3.7623 -0.3598 -0.3579 1.1940 1.2104 1.2568 1.2620 1.5414 1.5530 1.9720 1.9787 2.1782 2.1825 3.3555 3.3604 3.3889 3.3924 4.9304 4.9354 5.0298 5.0310 5.1332 5.1350 6.7282 6.7346 7.2595 7.2596 7.5020 7.5051 8.7649 8.7992 8.9032 8.9071 k = 0.0000 0.0000 0.0836 ( 8839 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4589 -36.4588 -36.4578 -36.4578 -36.1796 -36.1796 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.3539 -7.3539 -4.4066 -4.4037 -4.3096 -4.3074 -4.2596 -4.2557 -3.7190 -3.7187 -0.3669 -0.3644 1.1866 1.2054 1.2482 1.2535 1.5732 1.5871 1.9715 1.9806 2.1930 2.1983 3.3413 3.3479 3.3965 3.4013 4.8714 4.8769 5.0226 5.0238 5.1134 5.1148 6.7567 6.7649 7.3008 7.3011 7.5344 7.5384 8.7620 8.8000 8.8984 8.9039 k = 0.0000 0.0000 0.1045 ( 8839 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4589 -36.4588 -36.4578 -36.4578 -36.1796 -36.1796 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.3462 -7.3461 -4.4542 -4.4515 -4.3181 -4.3157 -4.2609 -4.2568 -3.6700 -3.6697 -0.3763 -0.3732 1.1799 1.1986 1.2423 1.2457 1.6104 1.6259 1.9694 1.9811 2.2121 2.2179 3.3259 3.3341 3.4063 3.4123 4.7984 4.8042 5.0156 5.0166 5.0889 5.0898 6.7906 6.8004 7.3474 7.3481 7.5770 7.5818 8.7629 8.8001 8.8961 8.9018 k = 0.0000 0.0000 0.1254 ( 8839 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4589 -36.4588 -36.4578 -36.4578 -36.1796 -36.1795 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.3367 -7.3366 -4.5052 -4.5027 -4.3283 -4.3255 -4.2627 -4.2583 -3.6176 -3.6172 -0.3881 -0.3844 1.1736 1.1894 1.2407 1.2417 1.6515 1.6683 1.9645 1.9789 2.2354 2.2415 3.3109 3.3206 3.4177 3.4252 4.7150 4.7212 5.0064 5.0071 5.0611 5.0617 6.8283 6.8394 7.3957 7.3972 7.6303 7.6355 8.7682 8.8007 8.8966 8.9011 k = 0.0000 0.0000 0.1462 ( 8849 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4589 -36.4588 -36.4578 -36.4578 -36.1796 -36.1795 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.3256 -7.3255 -4.5583 -4.5560 -4.3399 -4.3368 -4.2649 -4.2602 -3.5627 -3.5623 -0.4025 -0.3982 1.1664 1.1780 1.2409 1.2475 1.6956 1.7132 1.9556 1.9727 2.2630 2.2689 3.2981 3.3093 3.4304 3.4392 4.6244 4.6311 4.9903 4.9904 5.0346 5.0353 6.8680 6.8801 7.4427 7.4452 7.6940 7.6995 8.7781 8.8027 8.9001 8.9028 k = 0.0000 0.0000 0.1671 ( 8855 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4589 -36.4588 -36.4578 -36.4578 -36.1796 -36.1795 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.3127 -7.3127 -4.6128 -4.6105 -4.3529 -4.3494 -4.2675 -4.2625 -3.5063 -3.5059 -0.4194 -0.4146 1.1575 1.1654 1.2482 1.2599 1.7417 1.7602 1.9417 1.9615 2.2948 2.3003 3.2890 3.3015 3.4435 3.4538 4.5296 4.5371 4.9595 4.9602 5.0165 5.0174 6.9085 6.9213 7.4858 7.4896 7.7678 7.7733 8.7914 8.8062 8.9073 8.9080 k = 0.0000 0.0000 0.1880 ( 8855 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4589 -36.4588 -36.4578 -36.4578 -36.1796 -36.1795 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.2983 -7.2982 -4.6681 -4.6659 -4.3671 -4.3633 -4.2706 -4.2653 -3.4488 -3.4484 -0.4390 -0.4336 1.1474 1.1528 1.2630 1.2785 1.7894 1.8085 1.9220 1.9441 2.3309 2.3358 3.2850 3.2985 3.4559 3.4679 4.4335 4.4419 4.9170 4.9181 5.0049 5.0059 6.9488 6.9619 7.5232 7.5285 7.8505 7.8559 8.8061 8.8111 8.9186 8.9188 k = 0.0000 0.0000 0.2089 ( 8849 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4579 -36.4578 -36.1796 -36.1795 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.2822 -7.2820 -4.7238 -4.7217 -4.3823 -4.3782 -4.2741 -4.2685 -3.3905 -3.3901 -0.4612 -0.4553 1.1367 1.1407 1.2848 1.3031 1.8376 1.8573 1.8966 1.9206 2.3714 2.3756 3.2869 3.3012 3.4662 3.4798 4.3391 4.3487 4.8677 4.8690 4.9952 4.9962 6.9883 7.0014 7.5538 7.5608 7.9405 7.9457 8.8167 8.8198 8.9347 8.9372 k = 0.0000 0.0000 0.2298 ( 8853 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4579 -36.4578 -36.1796 -36.1795 -36.1784 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.2644 -7.2643 -4.7798 -4.7777 -4.3985 -4.3940 -4.2783 -4.2724 -3.3318 -3.3314 -0.4859 -0.4796 1.1264 1.1298 1.3128 1.3333 1.8619 1.8767 1.9002 1.9100 2.4162 2.4196 3.2950 3.3098 3.4721 3.4873 4.2500 4.2610 4.8133 4.8147 4.9858 4.9868 7.0266 7.0396 7.5773 7.5860 8.0356 8.0405 8.8228 8.8312 8.9557 8.9635 k = 0.0000 0.0000 0.2507 ( 8853 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4579 -36.4578 -36.1795 -36.1795 -36.1784 -36.1783 -36.1614 -36.1614 -36.1607 -36.1607 -7.2451 -7.2450 -4.8357 -4.8337 -4.4153 -4.4106 -4.2831 -4.2768 -3.2727 -3.2723 -0.5129 -0.5062 1.1173 1.1204 1.3465 1.3686 1.8240 1.8487 1.9412 1.9604 2.4653 2.4680 3.3093 3.3243 3.4706 3.4869 4.1706 4.1828 4.7549 4.7562 4.9762 4.9771 7.0637 7.0765 7.5940 7.6042 8.1330 8.1377 8.8297 8.8414 8.9809 8.9960 k = 0.0000 0.0000 0.2716 ( 8857 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4579 -36.4578 -36.1795 -36.1795 -36.1784 -36.1783 -36.1614 -36.1614 -36.1607 -36.1607 -7.2243 -7.2241 -4.8914 -4.8895 -4.4327 -4.4277 -4.2885 -4.2819 -3.2134 -3.2131 -0.5422 -0.5351 1.1097 1.1130 1.3848 1.4084 1.7802 1.8061 1.9913 2.0117 2.5186 2.5206 3.3290 3.3443 3.4581 3.4745 4.1060 4.1188 4.6931 4.6941 4.9660 4.9669 7.0996 7.1120 7.6045 7.6159 8.2294 8.2343 8.8384 8.8523 9.0094 9.0323 k = 0.0000 0.0000 0.2925 ( 8865 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4579 -36.4578 -36.1795 -36.1795 -36.1784 -36.1783 -36.1614 -36.1614 -36.1607 -36.1607 -7.2019 -7.2017 -4.9469 -4.9451 -4.4505 -4.4452 -4.2946 -4.2878 -3.1541 -3.1538 -0.5734 -0.5660 1.1040 1.1078 1.4268 1.4518 1.7320 1.7581 2.0422 2.0635 2.5760 2.5773 3.3528 3.3689 3.4321 3.4468 4.0605 4.0730 4.6284 4.6291 4.9552 4.9561 7.1342 7.1461 7.6095 7.6219 8.3212 8.3266 8.8503 8.8664 9.0400 9.0701 k = 0.0000 0.0000 0.3134 ( 8871 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4587 -36.4579 -36.4579 -36.1795 -36.1794 -36.1784 -36.1784 -36.1614 -36.1614 -36.1607 -36.1607 -7.1780 -7.1778 -5.0021 -5.0003 -4.4685 -4.4629 -4.3015 -4.2944 -3.0947 -3.0944 -0.6063 -0.5987 1.1007 1.1051 1.4715 1.4977 1.6804 1.7063 2.0935 2.1157 2.6373 2.6380 3.3698 3.3922 3.4018 3.4077 4.0361 4.0471 4.5615 4.5616 4.9439 4.9447 7.1676 7.1790 7.6098 7.6229 8.4042 8.4108 8.8672 8.8860 9.0717 9.1073 k = 0.0000 0.0000 0.3343 ( 8863 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4587 -36.4579 -36.4579 -36.1795 -36.1794 -36.1785 -36.1784 -36.1613 -36.1613 -36.1607 -36.1607 -7.1527 -7.1525 -5.0569 -5.0551 -4.4865 -4.4807 -4.3092 -4.3018 -3.0353 -3.0350 -0.6407 -0.6329 1.0998 1.1050 1.5174 1.5446 1.6263 1.6518 2.1452 2.1684 2.7023 2.7026 3.3273 3.3415 3.4211 3.4315 4.0309 4.0398 4.4923 4.4929 4.9319 4.9328 7.1996 7.2105 7.6062 7.6197 8.4751 8.4832 8.8906 8.9127 9.1033 9.1421 k = 0.0000 0.0000 0.3552 ( 8857 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4587 -36.4580 -36.4579 -36.1795 -36.1794 -36.1785 -36.1784 -36.1613 -36.1613 -36.1607 -36.1607 -7.1259 -7.1257 -5.1112 -5.1095 -4.5044 -4.4984 -4.3177 -4.3100 -2.9759 -2.9757 -0.6765 -0.6685 1.1015 1.1078 1.5609 1.5729 1.5885 1.5981 2.1976 2.2217 2.7707 2.7710 3.2641 3.2736 3.4546 3.4657 4.0409 4.0475 4.4218 4.4232 4.9194 4.9203 7.2302 7.2405 7.5992 7.6130 8.5317 8.5415 8.9212 8.9470 9.1336 9.1717 k = 0.0000 0.0000 0.3761 ( 8853 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4587 -36.4580 -36.4579 -36.1795 -36.1794 -36.1785 -36.1784 -36.1613 -36.1613 -36.1607 -36.1607 -7.0978 -7.0976 -5.1650 -5.1634 -4.5221 -4.5158 -4.3270 -4.3191 -2.9166 -2.9164 -0.7134 -0.7053 1.1059 1.1134 1.5142 1.5379 1.6071 1.6356 2.2510 2.2761 2.8423 2.8430 3.1960 3.2011 3.4906 3.5016 4.0618 4.0662 4.3509 4.3532 4.9065 4.9073 7.2590 7.2687 7.5894 7.6031 8.5745 8.5858 8.9579 8.9871 9.1613 9.1916 k = 0.0000 0.0000 0.3969 ( 8845 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4587 -36.4580 -36.4579 -36.1794 -36.1794 -36.1785 -36.1784 -36.1613 -36.1613 -36.1607 -36.1607 -7.0683 -7.0682 -5.2184 -5.2168 -4.5393 -4.5329 -4.3372 -4.3290 -2.8574 -2.8572 -0.7512 -0.7430 1.1130 1.1221 1.4586 1.4808 1.6462 1.6749 2.3058 2.3319 2.9172 2.9183 3.1278 3.1286 3.5274 3.5382 4.0902 4.0927 4.2803 4.2837 4.8932 4.8940 7.2857 7.2948 7.5770 7.5906 8.6061 8.6184 8.9977 9.0298 9.1844 9.2005 k = 0.0000 0.0000 0.4178 ( 8848 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4587 -36.4580 -36.4579 -36.1794 -36.1793 -36.1785 -36.1784 -36.1613 -36.1613 -36.1607 -36.1607 -7.0376 -7.0374 -5.2712 -5.2696 -4.5559 -4.5493 -4.3482 -4.3398 -2.7982 -2.7981 -0.7898 -0.7815 1.1226 1.1338 1.4044 1.4247 1.6787 1.7069 2.3628 2.3896 2.9947 2.9962 3.0595 3.0632 3.5642 3.5747 4.1236 4.1241 4.2115 4.2156 4.8796 4.8804 7.3100 7.3185 7.5622 7.5756 8.6298 8.6428 9.0376 9.0720 9.2005 9.2036 k = 0.0000 0.0000 0.4387 ( 8854 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4586 -36.4580 -36.4579 -36.1794 -36.1793 -36.1785 -36.1784 -36.1613 -36.1613 -36.1607 -36.1607 -7.0056 -7.0054 -5.3234 -5.3220 -4.5719 -4.5651 -4.3600 -4.3514 -2.7391 -2.7390 -0.8290 -0.8208 1.1341 1.1482 1.3527 1.3702 1.7023 1.7293 2.4225 2.4496 2.9950 3.0034 3.0760 3.0777 3.6000 3.6104 4.1382 4.1483 4.1621 4.1659 4.8659 4.8667 7.3313 7.3392 7.5451 7.5582 8.6484 8.6618 9.0752 9.1111 9.2054 9.2092 k = 0.0000 0.0000 0.4596 ( 8870 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4586 -36.4580 -36.4579 -36.1794 -36.1793 -36.1786 -36.1785 -36.1613 -36.1613 -36.1608 -36.1608 -6.9724 -6.9722 -5.3752 -5.3738 -4.5870 -4.5801 -4.3726 -4.3639 -2.6802 -2.6801 -0.8688 -0.8606 1.1459 1.1648 1.3060 1.3187 1.7149 1.7400 2.4852 2.5123 2.9386 2.9518 3.1588 3.1608 3.6342 3.6445 4.0782 4.0873 4.2000 4.2004 4.8523 4.8530 7.3491 7.3563 7.5257 7.5385 8.6636 8.6774 9.1094 9.1456 9.2081 9.2129 k = 0.0000 0.0000 0.4805 ( 8882 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4586 -36.4581 -36.4580 -36.1794 -36.1793 -36.1786 -36.1785 -36.1613 -36.1613 -36.1608 -36.1608 -6.9381 -6.9379 -5.4264 -5.4250 -4.6012 -4.5942 -4.3860 -4.3771 -2.6213 -2.6213 -0.9090 -0.9009 1.1532 1.1810 1.2693 1.2733 1.7151 1.7378 2.5511 2.5776 2.8899 2.9078 3.2438 3.2460 3.6660 3.6764 4.0197 4.0301 4.2397 4.2402 4.8389 4.8396 7.3628 7.3694 7.5040 7.5163 8.6765 8.6907 9.1397 9.1731 9.2145 9.2147 k = 0.0000 0.0000 0.5014 ( 8886 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4586 -36.4581 -36.4580 -36.1794 -36.1793 -36.1786 -36.1785 -36.1613 -36.1613 -36.1608 -36.1608 -6.9028 -6.9026 -5.4771 -5.4758 -4.6144 -4.6073 -4.4001 -4.3911 -2.5626 -2.5626 -0.9497 -0.9417 1.1452 1.1830 1.2481 1.2540 1.7027 1.7226 2.6196 2.6448 2.8490 2.8709 3.3305 3.3329 3.6948 3.7055 3.9676 3.9795 4.2800 4.2810 4.8260 4.8267 7.3718 7.3776 7.4797 7.4917 8.6876 8.7024 9.1655 9.1899 9.2163 9.2294 k = 0.0000 0.0000 0.5223 ( 8902 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4586 -36.4581 -36.4580 -36.1794 -36.1793 -36.1787 -36.1786 -36.1613 -36.1613 -36.1608 -36.1608 -6.8664 -6.8662 -5.5273 -5.5261 -4.6265 -4.6192 -4.4148 -4.4057 -2.5041 -2.5040 -0.9907 -0.9829 1.1190 1.1545 1.2599 1.2634 1.6783 1.6955 2.6895 2.7111 2.8164 2.8398 3.4184 3.4210 3.7200 3.7312 3.9241 3.9372 4.3205 4.3217 4.8137 4.8145 7.3754 7.3804 7.4527 7.4643 8.6967 8.7122 9.1852 9.1983 9.2209 9.2506 k = 0.0000 0.0000 0.5432 ( 8910 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4586 -36.4582 -36.4580 -36.1794 -36.1792 -36.1787 -36.1786 -36.1613 -36.1613 -36.1609 -36.1609 -6.8290 -6.8288 -5.5770 -5.5759 -4.6373 -4.6299 -4.4301 -4.4210 -2.4457 -2.4455 -1.0321 -1.0244 1.0854 1.1168 1.2867 1.2874 1.6435 1.6583 2.7527 2.7559 2.8128 2.8157 3.5071 3.5097 3.7410 3.7532 3.8911 3.9051 4.3607 4.3618 4.8023 4.8031 7.3728 7.3770 7.4229 7.4341 8.7034 8.7200 9.1951 9.2040 9.2325 9.2733 k = 0.0000 0.0000 0.5641 ( 8908 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4586 -36.4582 -36.4581 -36.1793 -36.1792 -36.1787 -36.1786 -36.1612 -36.1612 -36.1609 -36.1609 -6.7907 -6.7905 -5.6263 -5.6252 -4.6469 -4.6394 -4.4459 -4.4366 -2.3874 -2.3872 -1.0739 -1.0664 1.0516 1.0801 1.3172 1.3209 1.6004 1.6131 2.7343 2.7693 2.8442 2.8697 3.5960 3.5983 3.7574 3.7710 3.8706 3.8847 4.4000 4.4010 4.7920 4.7927 7.3636 7.3668 7.3903 7.4009 8.7074 8.7253 9.1962 9.2094 9.2497 9.2953 k = 0.0000 0.0000 0.5850 ( 8894 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4582 -36.4581 -36.1793 -36.1792 -36.1787 -36.1786 -36.1612 -36.1612 -36.1609 -36.1609 -6.7516 -6.7514 -5.6752 -5.6741 -4.6551 -4.6474 -4.4620 -4.4527 -2.3294 -2.3291 -1.1161 -1.1088 1.0200 1.0465 1.3525 1.3585 1.5511 1.5623 2.7020 2.7399 2.9113 2.9375 3.6841 3.6854 3.7690 3.7851 3.8638 3.8775 4.4382 4.4388 4.7828 4.7836 7.3473 7.3487 7.3554 7.3649 8.7084 8.7279 9.1918 9.2148 9.2681 9.2873 k = 0.0000 0.0000 0.6059 ( 8882 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4582 -36.4581 -36.1793 -36.1792 -36.1787 -36.1786 -36.1612 -36.1612 -36.1609 -36.1609 -6.7117 -6.7115 -5.7236 -5.7226 -4.6618 -4.6541 -4.4783 -4.4690 -2.2717 -2.2712 -1.1586 -1.1516 0.9918 1.0165 1.3916 1.3993 1.4979 1.5080 2.6642 2.7028 2.9792 3.0048 3.7631 3.7661 3.7808 3.8022 3.8709 3.8840 4.4749 4.4750 4.7748 4.7756 7.3151 7.3232 7.3259 7.3265 8.7069 8.7280 9.1814 9.2190 9.2662 9.2745 k = 0.0000 0.0000 0.6268 ( 8870 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4582 -36.4581 -36.1792 -36.1791 -36.1787 -36.1786 -36.1612 -36.1612 -36.1609 -36.1609 -6.6711 -6.6708 -5.7717 -5.7707 -4.6671 -4.6593 -4.4948 -4.4855 -2.2142 -2.2136 -1.2017 -1.1949 0.9674 0.9907 1.4294 1.4381 1.4472 1.4572 2.6210 2.6594 3.0448 3.0697 3.7761 3.7864 3.8577 3.8663 3.8911 3.9040 4.5093 4.5099 4.7679 4.7688 7.2743 7.2841 7.2936 7.2941 8.7036 8.7263 9.1634 9.2110 9.2454 9.2647 k = 0.0000 0.0000 0.6477 ( 8870 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4582 -36.4581 -36.1792 -36.1791 -36.1788 -36.1786 -36.1612 -36.1612 -36.1609 -36.1609 -6.6298 -6.6295 -5.8194 -5.8185 -4.6710 -4.6630 -4.5113 -4.5020 -2.1571 -2.1563 -1.2452 -1.2388 0.9473 0.9694 1.3841 1.3930 1.4818 1.4928 2.5726 2.6101 3.1074 3.1316 3.7734 3.7856 3.9229 3.9361 3.9395 3.9462 4.5415 4.5428 4.7622 4.7631 7.2312 7.2406 7.2561 7.2568 8.7000 8.7240 9.1375 9.1772 9.2472 9.2592 k = 0.0000 0.0000 0.6685 ( 8870 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4584 -36.4582 -36.4581 -36.1792 -36.1791 -36.1788 -36.1787 -36.1612 -36.1612 -36.1609 -36.1609 -6.5878 -6.5876 -5.8668 -5.8659 -4.6733 -4.6653 -4.5276 -4.5184 -2.1004 -2.0994 -1.2893 -1.2832 0.9316 0.9526 1.3283 1.3371 1.5305 1.5427 2.5193 2.5554 3.1667 3.1901 3.7654 3.7782 3.9649 3.9780 4.0169 4.0234 4.5714 4.5735 4.7574 4.7582 7.1867 7.1957 7.2131 7.2149 8.6974 8.7224 9.1057 9.1350 9.2559 9.2574 k = 0.0000 0.0000 0.6894 ( 8862 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1792 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5454 -6.5451 -5.9139 -5.9131 -4.6740 -4.6659 -4.5437 -4.5345 -2.0442 -2.0430 -1.3340 -1.3283 0.9207 0.9405 1.2737 1.2826 1.5821 1.5956 2.4617 2.4962 3.2229 3.2455 3.7523 3.7655 4.0139 4.0271 4.0888 4.0954 4.5988 4.6018 4.7533 4.7540 7.1418 7.1505 7.1668 7.1699 8.6974 8.7228 9.0701 9.0904 9.2584 9.2664 k = 0.0000 0.0000 0.7103 ( 8862 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4583 -36.4581 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5024 -6.5021 -5.9607 -5.9599 -4.6733 -4.6651 -4.5594 -4.5502 -1.9885 -1.9871 -1.3795 -1.3741 0.9146 0.9334 1.2213 1.2305 1.6364 1.6512 2.4008 2.4335 3.2764 3.2980 3.7346 3.7481 4.0669 4.0804 4.1536 4.1606 4.6236 4.6276 4.7497 4.7501 7.0978 7.1062 7.1195 7.1236 8.7008 8.7262 9.0327 9.0453 9.2613 9.2779 k = 0.0000 0.0000 0.7312 ( 8866 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4583 -36.4582 -36.1791 -36.1790 -36.1789 -36.1787 -36.1611 -36.1611 -36.1610 -36.1610 -6.4590 -6.4586 -6.0072 -6.0065 -4.6710 -4.6627 -4.5745 -4.5654 -1.9334 -1.9318 -1.4256 -1.4206 0.9134 0.9312 1.1717 1.1814 1.6932 1.7092 2.3373 2.3682 3.3274 3.3480 3.7126 3.7264 4.1210 4.1347 4.2096 4.2172 4.6457 4.6506 4.7462 4.7463 7.0563 7.0644 7.0735 7.0786 8.7084 8.7333 8.9948 9.0009 9.2654 9.2898 k = 0.0000 0.0000 0.7521 ( 8860 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4583 -36.4583 -36.4582 -36.1791 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.4151 -6.4148 -6.0535 -6.0529 -4.6672 -4.6588 -4.5890 -4.5799 -1.8790 -1.8771 -1.4726 -1.4679 0.9173 0.9340 1.1256 1.1358 1.7521 1.7695 2.2719 2.3011 3.3762 3.3959 3.6866 3.7009 4.1731 4.1870 4.2552 4.2637 4.6652 4.6708 4.7420 4.7430 7.0188 7.0267 7.0315 7.0374 8.7204 8.7444 8.9576 8.9579 9.2705 9.3019 k = 0.0000 0.0000 0.7730 ( 8866 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1791 -36.1789 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.3709 -6.3705 -6.0996 -6.0990 -4.6619 -4.6534 -4.6026 -4.5937 -1.8253 -1.8231 -1.5204 -1.5161 0.9261 0.9420 1.0834 1.0942 1.8131 1.8317 2.2056 2.2330 3.4229 3.4416 3.6571 3.6718 4.2204 4.2346 4.2889 4.2986 4.6820 4.6881 4.7373 4.7394 6.9872 6.9950 6.9957 7.0023 8.7369 8.7594 8.9170 8.9216 9.2761 9.3097 k = 0.0000 0.0000 0.7939 ( 8874 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4582 -36.1790 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.3264 -6.3260 -6.1454 -6.1449 -4.6552 -4.6466 -4.6154 -4.6065 -1.7723 -1.7698 -1.5690 -1.5651 0.9401 0.9550 1.0454 1.0569 1.8758 1.8958 2.1387 2.1645 3.4675 3.4855 3.6244 3.6396 4.2605 4.2747 4.3097 4.3206 4.6961 4.7025 4.7319 4.7351 6.9633 6.9684 6.9710 6.9754 8.7576 8.7784 8.8787 8.8876 9.2820 9.3049 k = 0.0000 0.0000 0.8148 ( 8870 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.2815 -6.2811 -6.1910 -6.1905 -4.6471 -4.6384 -4.6271 -4.6183 -1.7202 -1.7173 -1.6185 -1.6150 0.9591 0.9731 1.0119 1.0242 1.9401 1.9614 2.0719 2.0961 3.5102 3.5273 3.5888 3.6046 4.2911 4.3049 4.3167 4.3289 4.7079 4.7140 4.7254 4.7298 6.9487 6.9510 6.9563 6.9583 8.7824 8.8010 8.8433 8.8559 9.2880 9.2996 k = 0.0000 0.0000 0.8357 ( 8874 PWs) bands (ev): -69.5146 -69.5146 -69.5146 -69.5146 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2364 -6.2364 -6.2359 -6.2359 -4.6377 -4.6377 -4.6290 -4.6290 -1.6689 -1.6689 -1.6657 -1.6657 0.9830 0.9830 0.9962 0.9962 2.0055 2.0055 2.0283 2.0283 3.5507 3.5507 3.5671 3.5671 4.3103 4.3103 4.3235 4.3235 4.7175 4.7175 4.7230 4.7230 6.9443 6.9443 6.9518 6.9518 8.8111 8.8111 8.8269 8.8269 9.2939 9.2939 k = 0.0000 0.0000 0.8357 ( 8874 PWs) bands (ev): -69.5146 -69.5146 -69.5146 -69.5146 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2364 -6.2364 -6.2359 -6.2359 -4.6377 -4.6377 -4.6290 -4.6290 -1.6689 -1.6689 -1.6657 -1.6657 0.9830 0.9830 0.9962 0.9962 2.0055 2.0055 2.0283 2.0283 3.5507 3.5507 3.5671 3.5671 4.3103 4.3103 4.3235 4.3235 4.7175 4.7175 4.7230 4.7230 6.9443 6.9443 6.9518 6.9518 8.8111 8.8111 8.8269 8.8269 9.2939 9.2939 k =-0.0127 0.0170 0.8357 ( 8870 PWs) bands (ev): -69.5146 -69.5146 -69.5146 -69.5146 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2366 -6.2366 -6.2361 -6.2361 -4.6380 -4.6380 -4.6292 -4.6292 -1.6674 -1.6674 -1.6640 -1.6640 0.9836 0.9836 0.9969 0.9969 2.0060 2.0060 2.0288 2.0288 3.5469 3.5469 3.5636 3.5636 4.3092 4.3092 4.3226 4.3226 4.7157 4.7157 4.7214 4.7214 6.9479 6.9479 6.9554 6.9554 8.8154 8.8154 8.8312 8.8312 9.2929 9.2929 k =-0.0253 0.0339 0.8357 ( 8874 PWs) bands (ev): -69.5146 -69.5146 -69.5146 -69.5146 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2373 -6.2373 -6.2367 -6.2367 -4.6386 -4.6386 -4.6298 -4.6298 -1.6626 -1.6626 -1.6589 -1.6589 0.9854 0.9854 0.9990 0.9990 2.0072 2.0072 2.0302 2.0302 3.5358 3.5358 3.5532 3.5532 4.3060 4.3060 4.3199 4.3199 4.7102 4.7102 4.7167 4.7167 6.9583 6.9583 6.9660 6.9660 8.8279 8.8279 8.8438 8.8438 9.2896 9.2896 k =-0.0380 0.0509 0.8357 ( 8866 PWs) bands (ev): -69.5146 -69.5146 -69.5146 -69.5146 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2384 -6.2384 -6.2376 -6.2376 -4.6397 -4.6397 -4.6309 -4.6309 -1.6548 -1.6548 -1.6506 -1.6506 0.9883 0.9883 1.0026 1.0026 2.0094 2.0094 2.0324 2.0324 3.5177 3.5177 3.5361 3.5361 4.3007 4.3007 4.3156 4.3156 4.7013 4.7013 4.7088 4.7088 6.9755 6.9755 6.9834 6.9834 8.8479 8.8479 8.8640 8.8640 9.2837 9.2837 k =-0.0507 0.0679 0.8357 ( 8866 PWs) bands (ev): -69.5146 -69.5146 -69.5146 -69.5146 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2399 -6.2399 -6.2389 -6.2389 -4.6411 -4.6411 -4.6322 -4.6322 -1.6441 -1.6441 -1.6391 -1.6391 0.9925 0.9925 1.0075 1.0075 2.0123 2.0123 2.0356 2.0356 3.4933 3.4933 3.5130 3.5130 4.2934 4.2934 4.3094 4.3094 4.6891 4.6891 4.6978 4.6978 6.9989 6.9989 7.0070 7.0070 8.8738 8.8738 8.8902 8.8902 9.2753 9.2753 k =-0.0634 0.0849 0.8357 ( 8866 PWs) bands (ev): -69.5146 -69.5146 -69.5146 -69.5146 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2419 -6.2419 -6.2407 -6.2407 -4.6427 -4.6427 -4.6337 -4.6337 -1.6306 -1.6306 -1.6249 -1.6249 0.9979 0.9979 1.0139 1.0139 2.0160 2.0160 2.0396 2.0396 3.4634 3.4634 3.4843 3.4843 4.2841 4.2841 4.3015 4.3015 4.6740 4.6740 4.6838 4.6838 7.0280 7.0280 7.0364 7.0364 8.9026 8.9026 8.9204 8.9204 9.2650 9.2650 k =-0.0760 0.1018 0.8357 ( 8860 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2443 -6.2443 -6.2430 -6.2430 -4.6444 -4.6444 -4.6353 -4.6353 -1.6146 -1.6146 -1.6081 -1.6081 1.0046 1.0046 1.0217 1.0217 2.0205 2.0205 2.0444 2.0444 3.4287 3.4287 3.4511 3.4511 4.2729 4.2729 4.2917 4.2917 4.6561 4.6561 4.6672 4.6672 7.0620 7.0620 7.0706 7.0706 8.9296 8.9296 8.9512 8.9512 9.2548 9.2548 k =-0.0887 0.1188 0.8357 ( 8856 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2472 -6.2472 -6.2457 -6.2457 -4.6460 -4.6460 -4.6368 -4.6368 -1.5964 -1.5964 -1.5892 -1.5892 1.0127 1.0127 1.0309 1.0309 2.0256 2.0256 2.0500 2.0500 3.3903 3.3903 3.4140 3.4140 4.2598 4.2598 4.2802 4.2802 4.6359 4.6359 4.6483 4.6483 7.0999 7.0999 7.1088 7.1088 8.9473 8.9473 8.9774 8.9774 9.2488 9.2488 k =-0.1014 0.1358 0.8357 ( 8862 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2506 -6.2506 -6.2489 -6.2489 -4.6474 -4.6474 -4.6380 -4.6380 -1.5764 -1.5764 -1.5684 -1.5684 1.0221 1.0221 1.0416 1.0416 2.0314 2.0314 2.0563 2.0563 3.3492 3.3492 3.3741 3.3741 4.2449 4.2449 4.2668 4.2668 4.6139 4.6139 4.6275 4.6275 7.1407 7.1407 7.1499 7.1499 8.9480 8.9480 8.9901 8.9901 9.2423 9.2423 k =-0.1141 0.1527 0.8357 ( 8862 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2545 -6.2545 -6.2527 -6.2527 -4.6483 -4.6483 -4.6389 -4.6389 -1.5551 -1.5551 -1.5463 -1.5463 1.0330 1.0330 1.0538 1.0538 2.0377 2.0377 2.0632 2.0632 3.3063 3.3063 3.3323 3.3323 4.2280 4.2280 4.2516 4.2516 4.5905 4.5905 4.6053 4.6053 7.1833 7.1833 7.1926 7.1926 8.9283 8.9283 8.9797 8.9797 9.2441 9.2441 k =-0.1267 0.1697 0.8357 ( 8852 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2589 -6.2589 -6.2570 -6.2570 -4.6487 -4.6487 -4.6392 -4.6392 -1.5327 -1.5327 -1.5232 -1.5232 1.0455 1.0455 1.0675 1.0675 2.0444 2.0444 2.0706 2.0706 3.2626 3.2626 3.2895 3.2895 4.2094 4.2094 4.2345 4.2345 4.5663 4.5663 4.5822 4.5822 7.2261 7.2261 7.2355 7.2355 8.8909 8.8909 8.9455 8.9455 9.2600 9.2600 k =-0.1394 0.1867 0.8357 ( 8856 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2639 -6.2639 -6.2619 -6.2619 -4.6484 -4.6484 -4.6388 -4.6388 -1.5099 -1.5099 -1.4997 -1.4997 1.0595 1.0595 1.0829 1.0829 2.0516 2.0516 2.0786 2.0786 3.2190 3.2190 3.2466 3.2466 4.1888 4.1888 4.2153 4.2153 4.5418 4.5418 4.5587 4.5587 7.2678 7.2678 7.2771 7.2771 8.8411 8.8411 8.8947 8.8947 9.2812 9.2812 k =-0.1394 0.1867 0.8357 ( 8856 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2639 -6.2639 -6.2619 -6.2619 -4.6484 -4.6484 -4.6388 -4.6388 -1.5099 -1.5099 -1.4997 -1.4997 1.0595 1.0595 1.0829 1.0829 2.0516 2.0516 2.0786 2.0786 3.2190 3.2190 3.2466 3.2466 4.1888 4.1888 4.2153 4.2153 4.5418 4.5418 4.5587 4.5587 7.2678 7.2678 7.2771 7.2771 8.8411 8.8411 8.8947 8.8947 9.2812 9.2812 k =-0.1480 0.1982 0.8213 ( 8856 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2924 -6.2912 -6.2419 -6.2406 -4.6582 -4.6506 -4.6348 -4.6267 -1.5318 -1.5238 -1.4547 -1.4466 1.0602 1.0817 1.0845 1.1060 2.0184 2.0445 2.0949 2.1236 3.1719 3.1900 3.2170 3.2352 4.1504 4.1615 4.2088 4.2201 4.5025 4.5066 4.5623 4.5650 7.2870 7.2941 7.3073 7.3145 8.7757 8.8117 8.8478 8.8819 9.2811 9.3092 k =-0.1566 0.2097 0.8070 ( 8852 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4582 -36.1790 -36.1790 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.3202 -6.3191 -6.2218 -6.2204 -4.6684 -4.6609 -4.6209 -4.6124 -1.5557 -1.5474 -1.4009 -1.3924 1.0651 1.0901 1.1052 1.1302 1.9871 2.0126 2.1358 2.1665 3.1255 3.1448 3.2038 3.2234 4.1013 4.1128 4.2134 4.2253 4.4564 4.4614 4.5765 4.5787 7.3040 7.3112 7.3483 7.3558 8.7043 8.7446 8.8359 8.8734 9.2770 9.3158 k =-0.1652 0.2212 0.7926 ( 8854 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1790 -36.1789 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.3469 -6.3458 -6.2032 -6.2017 -4.6783 -4.6711 -4.6050 -4.5963 -1.5806 -1.5720 -1.3471 -1.3382 1.0742 1.1000 1.1295 1.1554 1.9579 1.9828 2.1737 2.2064 3.0816 3.1005 3.1906 3.2101 4.0469 4.0579 4.2143 4.2256 4.4105 4.4168 4.5925 4.5943 7.3175 7.3247 7.3926 7.3999 8.6308 8.6702 8.8316 8.8680 9.2676 9.3047 k =-0.1737 0.2327 0.7783 ( 8856 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1790 -36.1789 -36.1789 -36.1788 -36.1611 -36.1610 -36.1610 -36.1610 -6.3724 -6.3714 -6.1861 -6.1845 -4.6881 -4.6811 -4.5876 -4.5785 -1.6063 -1.5975 -1.2935 -1.2843 1.0873 1.1139 1.1543 1.1813 1.9310 1.9553 2.2077 2.2424 3.0414 3.0595 3.1760 3.1949 3.9891 3.9996 4.2071 4.2169 4.3695 4.3777 4.6090 4.6108 7.3262 7.3333 7.4391 7.4462 8.5574 8.5949 8.8304 8.8654 9.2525 9.2879 k =-0.1823 0.2442 0.7639 ( 8850 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1791 -36.1790 -36.1789 -36.1788 -36.1611 -36.1610 -36.1610 -36.1610 -6.3968 -6.3957 -6.1705 -6.1688 -4.6976 -4.6909 -4.5686 -4.5593 -1.6329 -1.6239 -1.2404 -1.2309 1.1043 1.1317 1.1796 1.2076 1.9066 1.9304 2.2367 2.2732 3.0058 3.0227 3.1595 3.1778 3.9295 3.9395 4.1870 4.1943 4.3392 4.3496 4.6258 4.6276 7.3287 7.3358 7.4871 7.4939 8.4857 8.5209 8.8314 8.8652 9.2325 9.2667 k =-0.1909 0.2557 0.7496 ( 8852 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1791 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.4198 -6.4188 -6.1564 -6.1547 -4.7068 -4.7004 -4.5483 -4.5387 -1.6601 -1.6509 -1.1880 -1.1782 1.1250 1.1532 1.2049 1.2339 1.8850 1.9082 2.2597 2.2979 2.9757 2.9910 3.1411 3.1586 3.8696 3.8792 4.1524 4.1575 4.3220 4.3342 4.6424 4.6444 7.3241 7.3313 7.5359 7.5424 8.4168 8.4495 8.8332 8.8665 9.2100 9.2440 k =-0.1995 0.2672 0.7352 ( 8850 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1791 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.4416 -6.4406 -6.1439 -6.1420 -4.7156 -4.7096 -4.5270 -4.5170 -1.6878 -1.6785 -1.1365 -1.1265 1.1490 1.1780 1.2300 1.2600 1.8664 1.8890 2.2761 2.3153 2.9514 2.9650 3.1202 3.1371 3.8106 3.8198 4.1079 4.1121 4.3141 4.3274 4.6588 4.6610 7.3119 7.3193 7.5849 7.5910 8.3516 8.3816 8.8340 8.8674 9.1892 9.2239 k =-0.2081 0.2787 0.7209 ( 8854 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4583 -36.4582 -36.1791 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1609 -6.4619 -6.4611 -6.1327 -6.1308 -4.7240 -4.7183 -4.5048 -4.4945 -1.7157 -1.7062 -1.0864 -1.0762 1.1760 1.2057 1.2547 1.2854 1.8509 1.8730 2.2853 2.3252 2.9324 2.9449 3.0966 3.1133 3.7538 3.7627 4.0592 4.0635 4.3107 4.3246 4.6747 4.6771 7.2922 7.2999 7.6335 7.6390 8.2907 8.3179 8.8313 8.8650 9.1746 9.2108 k =-0.2167 0.2902 0.7065 ( 8847 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4583 -36.4582 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.4810 -6.4801 -6.1228 -6.1208 -4.7320 -4.7266 -4.4822 -4.4714 -1.7436 -1.7340 -1.0378 -1.0274 1.2055 1.2360 1.2785 1.3098 1.8387 1.8604 2.2877 2.3275 2.9171 2.9307 3.0699 3.0875 3.7004 3.7091 4.0102 4.0153 4.3092 4.3234 4.6902 4.6928 7.2657 7.2737 7.6810 7.6859 8.2342 8.2588 8.8229 8.8566 9.1708 9.2083 k =-0.2253 0.3017 0.6922 ( 8844 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4583 -36.4582 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.4986 -6.4978 -6.1142 -6.1121 -4.7395 -4.7343 -4.4593 -4.4482 -1.7711 -1.7614 -0.9912 -0.9807 1.2369 1.2683 1.3015 1.3329 1.8301 1.8512 2.2841 2.3232 2.9031 2.9211 3.0398 3.0602 3.6515 3.6601 3.9634 3.9695 4.3082 4.3227 4.7051 4.7079 7.2336 7.2418 7.7268 7.7311 8.1823 8.2044 8.8078 8.8410 9.1797 9.2182 k =-0.2338 0.3132 0.6778 ( 8837 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4582 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5147 -6.5140 -6.1067 -6.1046 -4.7464 -4.7416 -4.4367 -4.4252 -1.7980 -1.7882 -0.9468 -0.9362 1.2692 1.3016 1.3235 1.3547 1.8251 1.8456 2.2759 2.3140 2.8882 2.9133 3.0071 3.0323 3.6082 3.6167 3.9205 3.9276 4.3072 4.3218 4.7193 4.7222 7.1971 7.2056 7.7703 7.7740 8.1351 8.1548 8.7871 8.8193 9.2007 9.2398 k =-0.2424 0.3247 0.6635 ( 8843 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4582 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5294 -6.5287 -6.1003 -6.0982 -4.7528 -4.7483 -4.4145 -4.4027 -1.8239 -1.8140 -0.9051 -0.8944 1.3008 1.3340 1.3457 1.3759 1.8233 1.8432 2.2650 2.3016 2.8698 2.9025 2.9741 3.0050 3.5714 3.5798 3.8823 3.8904 4.3058 4.3206 4.7327 4.7358 7.1580 7.1667 7.8108 7.8139 8.0925 8.1102 8.7628 8.7939 9.2311 9.2709 k =-0.2510 0.3362 0.6491 ( 8846 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4582 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5426 -6.5420 -6.0948 -6.0927 -4.7586 -4.7544 -4.3933 -4.3812 -1.8484 -1.8384 -0.8663 -0.8556 1.3288 1.3610 1.3715 1.3989 1.8242 1.8435 2.2533 2.2882 2.8456 2.8818 2.9465 2.9797 3.5414 3.5496 3.8495 3.8586 4.3041 4.3189 4.7453 4.7486 7.1180 7.1267 7.8473 7.8501 8.0550 8.0710 8.7369 8.7670 9.2679 9.3086 k =-0.2596 0.3477 0.6348 ( 8842 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5543 -6.5537 -6.0903 -6.0881 -4.7638 -4.7598 -4.3735 -4.3610 -1.8712 -1.8611 -0.8310 -0.8203 1.3503 1.3807 1.4008 1.4270 1.8270 1.8457 2.2429 2.2757 2.8147 2.8474 2.9279 2.9573 3.5182 3.5261 3.8223 3.8322 4.3019 4.3168 4.7569 4.7603 7.0786 7.0873 7.8783 7.8810 8.0238 8.0384 8.7112 8.7406 9.3085 9.3503 k =-0.2682 0.3592 0.6204 ( 8836 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5645 -6.5639 -6.0865 -6.0843 -4.7683 -4.7646 -4.3553 -4.3425 -1.8919 -1.8817 -0.7995 -0.7887 1.3657 1.3942 1.4320 1.4587 1.8304 1.8486 2.2358 2.2660 2.7781 2.8043 2.9141 2.9376 3.5012 3.5086 3.8007 3.8113 4.2996 4.3144 4.7673 4.7709 7.0412 7.0499 7.9004 7.9036 8.0018 8.0152 8.6869 8.7158 9.3503 9.3934 k =-0.2768 0.3706 0.6061 ( 8838 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5731 -6.5726 -6.0835 -6.0812 -4.7721 -4.7687 -4.3392 -4.3261 -1.9101 -1.8998 -0.7721 -0.7614 1.3769 1.4032 1.4635 1.4908 1.8329 1.8510 2.2337 2.2605 2.7380 2.7581 2.9014 2.9202 3.4895 3.4962 3.7842 3.7953 4.2970 4.3119 4.7765 4.7802 7.0074 7.0159 7.9091 7.9121 7.9946 8.0058 8.6649 8.6935 9.3910 9.4356 k =-0.2854 0.3821 0.5917 ( 8835 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5802 -6.5797 -6.0811 -6.0788 -4.7753 -4.7721 -4.3255 -4.3122 -1.9255 -1.9151 -0.7491 -0.7385 1.3853 1.4092 1.4934 1.5208 1.8335 1.8517 2.2374 2.2600 2.6971 2.7123 2.8894 2.9052 3.4819 3.4877 3.7723 3.7837 4.2946 4.3095 4.7843 4.7881 6.9780 6.9864 7.9043 7.9066 8.0018 8.0099 8.6460 8.6744 9.4284 9.4745 k =-0.2939 0.3936 0.5774 ( 8826 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5857 -6.5852 -6.0792 -6.0770 -4.7778 -4.7748 -4.3145 -4.3010 -1.9378 -1.9274 -0.7309 -0.7203 1.3913 1.4131 1.5198 1.5471 1.8318 1.8506 2.2463 2.2641 2.6585 2.6699 2.8788 2.8927 3.4772 3.4822 3.7641 3.7757 4.2925 4.3073 4.7906 4.7944 6.9542 6.9625 7.8942 7.8961 8.0140 8.0199 8.6307 8.6590 9.4604 9.5079 k =-0.3025 0.4051 0.5630 ( 8817 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5897 -6.5892 -6.0780 -6.0757 -4.7796 -4.7767 -4.3065 -4.2929 -1.9468 -1.9363 -0.7177 -0.7072 1.3955 1.4155 1.5408 1.5679 1.8287 1.8481 2.2582 2.2706 2.6257 2.6346 2.8703 2.8833 3.4746 3.4787 3.7589 3.7706 4.2908 4.3056 4.7951 4.7991 6.9367 6.9448 7.8848 7.8864 8.0248 8.0295 8.6194 8.6476 9.4850 9.5336 k =-0.3111 0.4166 0.5487 ( 8829 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5921 -6.5916 -6.0772 -6.0750 -4.7807 -4.7778 -4.3016 -4.2879 -1.9522 -1.9417 -0.7098 -0.6992 1.3980 1.4167 1.5545 1.5814 1.8258 1.8457 2.2695 2.2759 2.6030 2.6107 2.8649 2.8775 3.4734 3.4768 3.7561 3.7679 4.2897 4.3045 4.7979 4.8019 6.9259 6.9340 7.8787 7.8799 8.0319 8.0359 8.6124 8.6407 9.5005 9.5499 k =-0.3197 0.4281 0.5343 ( 8825 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5928 -6.5924 -6.0770 -6.0748 -4.7810 -4.7782 -4.2999 -4.2862 -1.9541 -1.9436 -0.7071 -0.6966 1.3988 1.4170 1.5593 1.5861 1.8245 1.8447 2.2757 2.2764 2.5948 2.6022 2.8630 2.8755 3.4730 3.4762 3.7552 3.7670 4.2893 4.3041 4.7988 4.8028 6.9223 6.9303 7.8766 7.8776 8.0343 8.0382 8.6101 8.6383 9.5059 9.5555 k =-0.3197 0.4281 0.5343 ( 8825 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5928 -6.5924 -6.0770 -6.0748 -4.7810 -4.7782 -4.2999 -4.2862 -1.9541 -1.9436 -0.7071 -0.6966 1.3988 1.4170 1.5593 1.5861 1.8245 1.8447 2.2757 2.2764 2.5948 2.6022 2.8630 2.8755 3.4730 3.4762 3.7552 3.7670 4.2893 4.3041 4.7988 4.8028 6.9223 6.9303 7.8766 7.8776 8.0343 8.0382 8.6101 8.6383 9.5059 9.5555 k =-0.3108 0.4162 0.5195 ( 8827 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1792 -36.1791 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.6140 -6.6136 -6.0397 -6.0374 -4.7899 -4.7868 -4.2957 -4.2815 -1.9971 -1.9867 -0.6709 -0.6600 1.3634 1.3824 1.5620 1.5888 1.8400 1.8598 2.2387 2.2387 2.6017 2.6103 2.8203 2.8333 3.5059 3.5099 3.7245 3.7371 4.3154 4.3300 4.8098 4.8135 6.9535 6.9620 7.9165 7.9168 8.0798 8.0849 8.7247 8.7540 9.5607 9.6076 k =-0.3019 0.4044 0.5046 ( 8821 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1792 -36.1791 -36.1787 -36.1786 -36.1611 -36.1611 -36.1609 -36.1609 -6.6369 -6.6365 -6.0009 -5.9985 -4.7956 -4.7923 -4.2916 -4.2770 -2.0420 -2.0316 -0.6387 -0.6276 1.3280 1.3477 1.5683 1.5951 1.8602 1.8798 2.2030 2.2037 2.6055 2.6155 2.7802 2.7935 3.5372 3.5409 3.7014 3.7139 4.3365 4.3509 4.8169 4.8204 6.9837 6.9927 7.9559 7.9562 8.1135 8.1197 8.8374 8.8679 9.6246 9.6702 k =-0.2931 0.3925 0.4898 ( 8837 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4585 -36.4582 -36.4581 -36.1792 -36.1791 -36.1787 -36.1786 -36.1611 -36.1611 -36.1609 -36.1609 -6.6613 -6.6610 -5.9606 -5.9580 -4.7982 -4.7945 -4.2875 -4.2725 -2.0886 -2.0783 -0.6105 -0.5993 1.2930 1.3134 1.5780 1.6048 1.8843 1.9038 2.1692 2.1708 2.6062 2.6175 2.7437 2.7574 3.5627 3.5635 3.6919 3.7018 4.3522 4.3664 4.8199 4.8232 7.0127 7.0220 7.9953 7.9961 8.1364 8.1437 8.9467 8.9787 9.6602 9.6881 k =-0.2842 0.3806 0.4750 ( 8835 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4582 -36.4581 -36.1792 -36.1791 -36.1787 -36.1786 -36.1611 -36.1611 -36.1609 -36.1609 -6.6872 -6.6869 -5.9188 -5.9162 -4.7977 -4.7938 -4.2836 -4.2683 -2.1367 -2.1266 -0.5864 -0.5751 1.2588 1.2797 1.5907 1.6174 1.9109 1.9303 2.1375 2.1401 2.6035 2.6161 2.7124 2.7263 3.5703 3.5760 3.7033 3.7070 4.3623 4.3761 4.8190 4.8220 7.0402 7.0500 8.0357 8.0367 8.1507 8.1586 9.0507 9.0848 9.6038 9.6243 k =-0.2753 0.3687 0.4601 ( 8831 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4581 -36.4580 -36.1792 -36.1791 -36.1787 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7144 -6.7142 -5.8756 -5.8729 -4.7943 -4.7901 -4.2798 -4.2642 -2.1863 -2.1764 -0.5659 -0.5547 1.2256 1.2471 1.6061 1.6327 1.9380 1.9572 2.1078 2.1120 2.5979 2.6114 2.6882 2.7017 3.5635 3.5756 3.7310 3.7331 4.3664 4.3798 4.8142 4.8170 7.0666 7.0766 8.0772 8.0778 8.1590 8.1670 9.1464 9.1843 9.5391 9.5560 k =-0.2664 0.3568 0.4453 ( 8831 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4581 -36.4580 -36.1792 -36.1792 -36.1787 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7427 -6.7425 -5.8310 -5.8282 -4.7881 -4.7836 -4.2763 -4.2604 -2.2372 -2.2276 -0.5490 -0.5379 1.1936 1.2157 1.6238 1.6502 1.9631 1.9807 2.0802 2.0876 2.5899 2.6039 2.6731 2.6855 3.5513 3.5677 3.7670 3.7731 4.3644 4.3775 4.8059 4.8085 7.0920 7.1023 8.1178 8.1195 8.1657 8.1717 9.2264 9.2723 9.4762 9.4854 k =-0.2575 0.3449 0.4304 ( 8835 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4581 -36.4580 -36.1793 -36.1792 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7719 -6.7718 -5.7851 -5.7822 -4.7793 -4.7745 -4.2729 -4.2568 -2.2893 -2.2800 -0.5351 -0.5244 1.1632 1.1857 1.6436 1.6697 1.9828 1.9951 2.0553 2.0701 2.5803 2.5941 2.6692 2.6795 3.5377 3.5572 3.8097 3.8184 4.3562 4.3690 4.7946 4.7969 7.1171 7.1276 8.1459 8.1569 8.1805 8.1836 9.2621 9.3200 9.4395 9.4422 k =-0.2487 0.3330 0.4156 ( 8835 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4581 -36.4580 -36.1793 -36.1792 -36.1786 -36.1785 -36.1612 -36.1612 -36.1608 -36.1608 -6.8019 -6.8018 -5.7378 -5.7349 -4.7680 -4.7629 -4.2697 -4.2534 -2.3426 -2.3336 -0.5240 -0.5137 1.1344 1.1574 1.6649 1.6906 1.9914 1.9928 2.0364 2.0642 2.5692 2.5822 2.6789 2.6866 3.5242 3.5461 3.8563 3.8670 4.3420 4.3544 4.7809 4.7831 7.1423 7.1530 8.1536 8.1673 8.2168 8.2225 9.2169 9.2650 9.4728 9.4795 k =-0.2398 0.3211 0.4007 ( 8845 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4586 -36.4581 -36.4580 -36.1793 -36.1792 -36.1786 -36.1785 -36.1612 -36.1612 -36.1608 -36.1608 -6.8324 -6.8324 -5.6894 -5.6864 -4.7546 -4.7492 -4.2668 -4.2504 -2.3969 -2.3882 -0.5152 -0.5054 1.1074 1.1308 1.6873 1.7126 1.9765 1.9815 2.0291 2.0654 2.5564 2.5686 2.7037 2.7088 3.5107 3.5347 3.9055 3.9179 4.3218 4.3339 4.7657 4.7679 7.1682 7.1791 8.1561 8.1694 8.2626 8.2678 9.1284 9.1687 9.5301 9.5439 k =-0.2309 0.3092 0.3859 ( 8845 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4586 -36.4581 -36.4580 -36.1793 -36.1792 -36.1786 -36.1785 -36.1612 -36.1612 -36.1608 -36.1608 -6.8633 -6.8633 -5.6398 -5.6367 -4.7391 -4.7335 -4.2641 -4.2476 -2.4521 -2.4437 -0.5083 -0.4991 1.0824 1.1062 1.7103 1.7349 1.9540 1.9595 2.0268 2.0658 2.5420 2.5536 2.7434 2.7464 3.4969 3.5225 3.9569 3.9707 4.2962 4.3080 4.7500 4.7522 7.1954 7.2065 8.1587 8.1716 8.3097 8.3145 9.0239 9.0601 9.5874 9.6042 k =-0.2220 0.2973 0.3711 ( 8841 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4586 -36.4580 -36.4580 -36.1794 -36.1793 -36.1786 -36.1785 -36.1612 -36.1612 -36.1608 -36.1608 -6.8943 -6.8943 -5.5890 -5.5859 -4.7219 -4.7160 -4.2616 -4.2451 -2.5080 -2.5000 -0.5028 -0.4943 1.0595 1.0837 1.7333 1.7569 1.9285 1.9329 2.0231 2.0627 2.5266 2.5379 2.7965 2.7981 3.4821 3.5090 4.0099 4.0251 4.2656 4.2771 4.7347 4.7372 7.2243 7.2356 8.1623 8.1749 8.3565 8.3610 8.9108 8.9442 9.6377 9.6559 k =-0.2131 0.2854 0.3562 ( 8847 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4586 -36.4580 -36.4580 -36.1794 -36.1793 -36.1786 -36.1785 -36.1612 -36.1612 -36.1608 -36.1608 -6.9254 -6.9253 -5.5372 -5.5340 -4.7032 -4.6971 -4.2594 -4.2428 -2.5647 -2.5571 -0.4984 -0.4907 1.0388 1.0634 1.7557 1.7778 1.9013 1.9035 2.0174 2.0571 2.5112 2.5224 2.8607 2.8613 3.4658 3.4935 4.0643 4.0807 4.2308 4.2420 4.7210 4.7239 7.2550 7.2665 8.1669 8.1793 8.4019 8.4061 8.7925 8.8236 9.6786 9.6975 k =-0.2043 0.2735 0.3414 ( 8853 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4586 -36.4580 -36.4580 -36.1794 -36.1793 -36.1786 -36.1785 -36.1612 -36.1612 -36.1608 -36.1608 -6.9562 -6.9562 -5.4844 -5.4811 -4.6832 -4.6768 -4.2575 -4.2409 -2.6220 -2.6148 -0.4948 -0.4878 1.0205 1.0453 1.7768 1.7957 1.8719 1.8733 2.0111 2.0501 2.4964 2.5076 2.9336 2.9337 3.4474 3.4756 4.1196 4.1371 4.1930 4.2038 4.7097 4.7133 7.2877 7.2994 8.1722 8.1845 8.4446 8.4482 8.6717 8.7005 9.7084 9.7280 k =-0.1954 0.2616 0.3265 ( 8859 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4586 -36.4580 -36.4579 -36.1794 -36.1793 -36.1785 -36.1785 -36.1613 -36.1613 -36.1608 -36.1608 -6.9868 -6.9867 -5.4306 -5.4273 -4.6621 -4.6554 -4.2558 -4.2393 -2.6799 -2.6730 -0.4915 -0.4854 1.0046 1.0297 1.7958 1.8056 1.8383 1.8494 2.0050 2.0431 2.4830 2.4942 3.0125 3.0132 3.4268 3.4548 4.1505 4.1600 4.1791 4.1967 4.7017 4.7062 7.3220 7.3341 8.1775 8.1896 8.4795 8.4799 8.5569 8.5799 9.6979 9.7147 k =-0.1865 0.2497 0.3117 ( 8847 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4586 -36.4580 -36.4579 -36.1794 -36.1793 -36.1785 -36.1784 -36.1613 -36.1613 -36.1607 -36.1607 -7.0168 -7.0167 -5.3759 -5.3726 -4.6401 -4.6332 -4.2544 -4.2380 -2.7382 -2.7317 -0.4883 -0.4831 0.9912 1.0166 1.7920 1.8031 1.8119 1.8443 1.9997 2.0367 2.4715 2.4826 3.0959 3.0972 3.4041 3.4313 4.1096 4.1203 4.2343 4.2545 4.6976 4.7033 7.3576 7.3700 8.1816 8.1938 8.4118 8.4362 8.5338 8.5367 9.5991 9.6302 k =-0.1776 0.2379 0.2969 ( 8841 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4586 -36.4580 -36.4579 -36.1794 -36.1793 -36.1785 -36.1784 -36.1613 -36.1613 -36.1607 -36.1607 -7.0462 -7.0461 -5.3204 -5.3171 -4.6175 -4.6104 -4.2532 -4.2369 -2.7968 -2.7908 -0.4850 -0.4806 0.9804 1.0061 1.7621 1.7668 1.8247 1.8507 1.9955 2.0314 2.4620 2.4731 3.1810 3.1837 3.3800 3.4054 4.0687 4.0794 4.2919 4.3134 4.6978 4.7050 7.3936 7.4066 8.1831 8.1956 8.2924 8.3161 8.5599 8.5641 9.5032 9.5360 k =-0.1687 0.2260 0.2820 ( 8849 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4587 -36.4580 -36.4579 -36.1794 -36.1794 -36.1785 -36.1784 -36.1613 -36.1613 -36.1607 -36.1607 -7.0748 -7.0747 -5.2642 -5.2608 -4.5945 -4.5872 -4.2522 -4.2361 -2.8558 -2.8502 -0.4813 -0.4778 0.9722 0.9982 1.7281 1.7298 1.8334 1.8561 1.9924 2.0271 2.4546 2.4655 3.2630 3.2700 3.3578 3.3779 4.0308 4.0413 4.3499 4.3727 4.7025 4.7113 7.4287 7.4425 8.1683 8.1849 8.1926 8.1948 8.5842 8.5885 9.4118 9.4461 k =-0.1598 0.2141 0.2672 ( 8847 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4587 -36.4579 -36.4579 -36.1795 -36.1794 -36.1785 -36.1784 -36.1613 -36.1613 -36.1607 -36.1607 -7.1025 -7.1024 -5.2072 -5.2039 -4.5712 -4.5638 -4.2514 -4.2356 -2.9151 -2.9099 -0.4770 -0.4745 0.9668 0.9930 1.6924 1.6927 1.8379 1.8578 1.9903 2.0238 2.4486 2.4595 3.3086 3.3482 3.3544 3.3683 3.9992 4.0093 4.4079 4.4321 4.7114 4.7223 7.4608 7.4760 8.0550 8.0745 8.1741 8.1861 8.6026 8.6068 9.3266 9.3626 k =-0.1510 0.2022 0.2523 ( 8851 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4587 -36.4579 -36.4579 -36.1795 -36.1794 -36.1784 -36.1784 -36.1613 -36.1613 -36.1607 -36.1607 -7.1293 -7.1292 -5.1497 -5.1463 -4.5480 -4.5404 -4.2509 -4.2353 -2.9745 -2.9697 -0.4721 -0.4704 0.9642 0.9905 1.6550 1.6569 1.8379 1.8553 1.9891 2.0213 2.4434 2.4542 3.2931 3.3222 3.4278 3.4326 3.9790 3.9885 4.4655 4.4914 4.7244 4.7376 7.4866 7.5039 7.9455 7.9612 8.1591 8.1716 8.6143 8.6183 9.2492 9.2872 k =-0.1421 0.1903 0.2375 ( 8851 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4587 -36.4579 -36.4579 -36.1795 -36.1794 -36.1784 -36.1784 -36.1614 -36.1614 -36.1607 -36.1607 -7.1550 -7.1549 -5.0916 -5.0883 -4.5249 -4.5171 -4.2506 -4.2353 -3.0341 -3.0297 -0.4665 -0.4656 0.9643 0.9908 1.6179 1.6210 1.8338 1.8486 1.9885 2.0194 2.4375 2.4485 3.2722 3.2971 3.4874 3.4895 3.9773 3.9858 4.5225 4.5501 4.7411 4.7569 7.4996 7.5206 7.8482 7.8586 8.1359 8.1486 8.6197 8.6235 9.1808 9.2211 k =-0.1332 0.1784 0.2226 ( 8845 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4587 -36.4579 -36.4578 -36.1795 -36.1794 -36.1784 -36.1783 -36.1614 -36.1614 -36.1607 -36.1607 -7.1795 -7.1794 -5.0332 -5.0298 -4.5022 -4.4943 -4.2504 -4.2355 -3.0937 -3.0898 -0.4600 -0.4599 0.9672 0.9939 1.5814 1.5853 1.8257 1.8380 1.9882 2.0178 2.4298 2.4411 3.2542 3.2758 3.5252 3.5252 4.0011 4.0080 4.5784 4.6081 4.7609 4.7796 7.4893 7.5152 7.7724 7.7762 8.1037 8.1165 8.6200 8.6236 9.1219 9.1647 k =-0.1243 0.1665 0.2078 ( 8849 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4587 -36.4579 -36.4578 -36.1795 -36.1795 -36.1784 -36.1783 -36.1614 -36.1614 -36.1607 -36.1607 -7.2028 -7.2026 -4.9743 -4.9711 -4.4800 -4.4719 -4.2504 -4.2358 -3.1533 -3.1498 -0.4533 -0.4527 0.9730 0.9998 1.5455 1.5502 1.8141 1.8240 1.9882 2.0163 2.4190 2.4308 3.2412 3.2596 3.5378 3.5395 4.0516 4.0567 4.6328 4.6649 4.7834 4.8055 7.4460 7.4749 7.7251 7.7260 8.0627 8.0754 8.6175 8.6209 9.0724 9.1178 k =-0.1154 0.1546 0.1930 ( 8849 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4579 -36.4578 -36.1795 -36.1795 -36.1784 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.2247 -7.2246 -4.9153 -4.9121 -4.4585 -4.4503 -4.2506 -4.2364 -3.2129 -3.2097 -0.4459 -0.4447 0.9815 1.0084 1.5106 1.5158 1.7993 1.8069 1.9881 2.0146 2.4044 2.4167 3.2340 3.2495 3.5328 3.5358 4.1229 4.1266 4.6851 4.7199 4.8081 4.8340 7.3759 7.4041 7.6991 7.7010 8.0139 8.0263 8.6150 8.6183 9.0313 9.0793 k =-0.1066 0.1427 0.1781 ( 8837 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4579 -36.4578 -36.1795 -36.1795 -36.1784 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.2452 -7.2451 -4.8561 -4.8530 -4.4378 -4.4296 -4.2510 -4.2371 -3.2723 -3.2695 -0.4378 -0.4360 0.9928 1.0197 1.4768 1.4824 1.7818 1.7871 1.9878 2.0126 2.3858 2.3985 3.2331 3.2457 3.5178 3.5214 4.2073 4.2099 4.7346 4.7724 4.8350 4.8647 7.2939 7.3198 7.6796 7.6811 7.9590 7.9708 8.6156 8.6189 8.9972 9.0477 k =-0.0977 0.1308 0.1633 ( 8835 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4578 -36.4578 -36.1795 -36.1795 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.2643 -7.2642 -4.7969 -4.7939 -4.4181 -4.4098 -4.2514 -4.2379 -3.3314 -3.3291 -0.4290 -0.4267 1.0067 1.0336 1.4445 1.4502 1.7619 1.7649 1.9871 2.0102 2.3635 2.3764 3.2381 3.2481 3.4982 3.5020 4.2988 4.3007 4.7809 4.8207 4.8648 4.8974 7.2093 7.2328 7.6551 7.6562 7.9000 7.9112 8.6215 8.6251 8.9688 9.0211 k =-0.0888 0.1189 0.1484 ( 8829 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4578 -36.4578 -36.1795 -36.1795 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.2819 -7.2818 -4.7380 -4.7351 -4.3996 -4.3912 -4.2520 -4.2390 -3.3902 -3.3882 -0.4196 -0.4170 1.0232 1.0500 1.4137 1.4194 1.7398 1.7406 1.9861 2.0072 2.3383 2.3512 3.2481 3.2560 3.4776 3.4813 4.3932 4.3946 4.8234 4.8618 4.8993 4.9314 7.1268 7.1481 7.6215 7.6223 7.8391 7.8495 8.6337 8.6380 8.9447 8.9983 k =-0.0799 0.1070 0.1336 ( 8833 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4578 -36.4578 -36.1795 -36.1795 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.2980 -7.2979 -4.6794 -4.6766 -4.3822 -4.3739 -4.2527 -4.2401 -3.4484 -3.4468 -0.4100 -0.4071 1.0421 1.0687 1.3848 1.3902 1.7144 1.7158 1.9846 2.0038 2.3115 2.3240 3.2620 3.2681 3.4578 3.4613 4.4880 4.4889 4.8618 4.8946 4.9389 4.9663 7.0488 7.0679 7.5785 7.5790 7.7784 7.7878 8.6517 8.6573 8.9244 8.9782 k =-0.0710 0.0951 0.1187 ( 8829 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4578 -36.4578 -36.1796 -36.1795 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.3125 -7.3124 -4.6216 -4.6189 -4.3662 -4.3578 -4.2535 -4.2415 -3.5059 -3.5046 -0.4002 -0.3972 1.0632 1.0895 1.3581 1.3630 1.6866 1.6900 1.9828 1.9999 2.2843 2.2960 3.2787 3.2833 3.4399 3.4429 4.5808 4.5813 4.8962 4.9222 4.9795 5.0009 6.9766 6.9937 7.5277 7.5281 7.7195 7.7279 8.6738 8.6815 8.9079 8.9602 k =-0.0622 0.0832 0.1039 ( 8833 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4578 -36.4578 -36.1796 -36.1795 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.3253 -7.3252 -4.5647 -4.5622 -4.3515 -4.3433 -4.2544 -4.2429 -3.5622 -3.5613 -0.3906 -0.3876 1.0861 1.1120 1.3339 1.3381 1.6574 1.6627 1.9807 1.9957 2.2578 2.2685 3.2966 3.3001 3.4244 3.4269 4.6697 4.6699 4.9268 4.9466 5.0181 5.0342 6.9112 6.9262 7.4718 7.4721 7.6640 7.6715 8.6975 8.7086 8.8958 8.9443 k =-0.0533 0.0714 0.0891 ( 8843 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4578 -36.4578 -36.1796 -36.1795 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.3365 -7.3364 -4.5095 -4.5072 -4.3383 -4.3302 -4.2554 -4.2446 -3.6170 -3.6163 -0.3815 -0.3786 1.1103 1.1356 1.3127 1.3159 1.6272 1.6342 1.9785 1.9914 2.2332 2.2426 3.3147 3.3174 3.4114 3.4134 4.7525 4.7527 4.9538 4.9686 5.0533 5.0652 6.8534 6.8663 7.4140 7.4143 7.6134 7.6199 8.7199 8.7357 8.8889 8.9307 k =-0.0444 0.0595 0.0742 ( 8843 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4589 -36.4588 -36.4578 -36.4578 -36.1796 -36.1796 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.3460 -7.3459 -4.4566 -4.4546 -4.3265 -4.3188 -4.2564 -4.2464 -3.6694 -3.6690 -0.3730 -0.3704 1.1352 1.1595 1.2949 1.2971 1.5967 1.6050 1.9763 1.9871 2.2113 2.2192 3.3319 3.3341 3.4010 3.4023 4.8270 4.8277 4.9777 4.9882 5.0843 5.0930 6.8036 6.8144 7.3576 7.3578 7.5688 7.5742 8.7385 8.7604 8.8879 8.9199 k =-0.0355 0.0476 0.0594 ( 8845 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4589 -36.4589 -36.4578 -36.4578 -36.1796 -36.1796 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.3538 -7.3538 -4.4073 -4.4057 -4.3161 -4.3091 -4.2574 -4.2483 -3.7183 -3.7181 -0.3656 -0.3633 1.1595 1.1821 1.2812 1.2824 1.5669 1.5760 1.9745 1.9830 2.1928 2.1992 3.3472 3.3490 3.3930 3.3937 4.8907 4.8920 4.9989 5.0057 5.1106 5.1168 6.7624 6.7711 7.3057 7.3059 7.5311 7.5354 8.7523 8.7796 8.8925 8.9128 k =-0.0266 0.0357 0.0445 ( 8839 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4589 -36.4589 -36.4578 -36.4578 -36.1796 -36.1796 -36.1783 -36.1782 -36.1614 -36.1614 -36.1606 -36.1606 -7.3599 -7.3599 -4.3636 -4.3625 -4.3071 -4.3012 -4.2581 -4.2505 -3.7620 -3.7620 -0.3593 -0.3576 1.1813 1.2007 1.2727 1.2733 1.5394 1.5484 1.9730 1.9794 2.1782 2.1830 3.3596 3.3614 3.3873 3.3874 4.9407 4.9427 5.0182 5.0218 5.1318 5.1359 6.7302 6.7368 7.2614 7.2615 7.5010 7.5043 8.7623 8.7913 8.9005 8.9101 k =-0.0178 0.0238 0.0297 ( 8835 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4589 -36.4589 -36.4578 -36.4578 -36.1796 -36.1796 -36.1782 -36.1782 -36.1614 -36.1614 -36.1606 -36.1606 -7.3643 -7.3642 -4.3286 -4.3285 -4.2987 -4.2950 -4.2583 -4.2527 -3.7977 -3.7976 -0.3546 -0.3534 1.1979 1.2117 1.2703 1.2715 1.5165 1.5241 1.9721 1.9764 2.1677 2.1709 3.3684 3.3703 3.3833 3.3841 4.9743 4.9767 5.0361 5.0371 5.1474 5.1500 6.7073 6.7117 7.2274 7.2275 7.4793 7.4815 8.7703 8.7947 8.9086 8.9114 k =-0.0089 0.0119 0.0148 ( 8847 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4589 -36.4589 -36.4578 -36.4577 -36.1796 -36.1796 -36.1782 -36.1782 -36.1615 -36.1615 -36.1606 -36.1606 -7.3669 -7.3669 -4.3087 -4.3076 -4.2899 -4.2891 -4.2577 -4.2548 -3.8217 -3.8216 -0.3516 -0.3509 1.2080 1.2147 1.2730 1.2745 1.5016 1.5061 1.9720 1.9741 2.1617 2.1633 3.3730 3.3745 3.3822 3.3832 4.9925 4.9941 5.0499 5.0499 5.1572 5.1584 6.6939 6.6961 7.2060 7.2060 7.4663 7.4674 8.7779 8.7918 8.9143 8.9144 k = 0.0000 0.0000 0.0000 ( 8845 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4589 -36.4589 -36.4577 -36.4577 -36.1796 -36.1796 -36.1782 -36.1782 -36.1615 -36.1615 -36.1606 -36.1606 -7.3677 -7.3677 -4.3027 -4.3027 -4.2851 -4.2851 -4.2565 -4.2565 -3.8302 -3.8302 -0.3503 -0.3503 1.2129 1.2129 1.2757 1.2757 1.4978 1.4978 1.9727 1.9727 2.1602 2.1602 3.3746 3.3746 3.3831 3.3831 4.9986 4.9986 5.0551 5.0551 5.1609 5.1609 6.6902 6.6902 7.1987 7.1987 7.4623 7.4623 8.7855 8.7855 8.9161 8.9161 k = 0.0000 0.0000 0.0000 ( 8845 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4589 -36.4589 -36.4577 -36.4577 -36.1796 -36.1796 -36.1782 -36.1782 -36.1615 -36.1615 -36.1606 -36.1606 -7.3677 -7.3677 -4.3027 -4.3027 -4.2851 -4.2851 -4.2565 -4.2565 -3.8302 -3.8302 -0.3503 -0.3503 1.2129 1.2129 1.2757 1.2757 1.4978 1.4978 1.9727 1.9727 2.1602 2.1602 3.3746 3.3746 3.3831 3.3831 4.9986 4.9986 5.0551 5.0551 5.1609 5.1609 6.6902 6.6902 7.1987 7.1987 7.4623 7.4623 8.7855 8.7855 8.9161 8.9161 k = 0.0167 0.0124 0.0000 ( 8833 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4589 -36.4589 -36.4577 -36.4577 -36.1796 -36.1796 -36.1782 -36.1782 -36.1615 -36.1615 -36.1606 -36.1606 -7.3667 -7.3667 -4.3039 -4.3039 -4.2853 -4.2853 -4.2752 -4.2752 -3.8103 -3.8103 -0.3529 -0.3529 1.2144 1.2144 1.2771 1.2771 1.5013 1.5013 1.9659 1.9659 2.1685 2.1685 3.3753 3.3753 3.3838 3.3838 4.9957 4.9957 5.0524 5.0524 5.1519 5.1519 6.6931 6.6931 7.2060 7.2060 7.4625 7.4625 8.7838 8.7838 8.9142 8.9142 k = 0.0333 0.0249 0.0000 ( 8825 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4589 -36.4589 -36.4577 -36.4577 -36.1796 -36.1796 -36.1782 -36.1782 -36.1614 -36.1614 -36.1606 -36.1606 -7.3636 -7.3636 -4.3308 -4.3308 -4.2997 -4.2997 -4.2859 -4.2859 -3.7585 -3.7585 -0.3604 -0.3604 1.2188 1.2188 1.2813 1.2813 1.5117 1.5117 1.9486 1.9486 2.1905 2.1905 3.3775 3.3775 3.3861 3.3861 4.9871 4.9871 5.0444 5.0444 5.1255 5.1255 6.7020 6.7020 7.2272 7.2272 7.4630 7.4630 8.7783 8.7783 8.9079 8.9079 k = 0.0500 0.0373 0.0000 ( 8821 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4589 -36.4589 -36.4578 -36.4578 -36.1796 -36.1796 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.3584 -7.3584 -4.3976 -4.3976 -4.3020 -4.3020 -4.2868 -4.2868 -3.6886 -3.6886 -0.3727 -0.3727 1.2261 1.2261 1.2884 1.2884 1.5289 1.5289 1.9258 1.9258 2.2212 2.2212 3.3812 3.3812 3.3899 3.3899 4.9724 4.9724 5.0311 5.0311 5.0836 5.0836 6.7167 6.7167 7.2604 7.2604 7.4636 7.4636 8.7680 8.7680 8.8960 8.8960 k = 0.0667 0.0498 0.0000 ( 8817 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4578 -36.4578 -36.1796 -36.1796 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.3511 -7.3511 -4.4747 -4.4747 -4.3035 -4.3035 -4.2881 -4.2881 -3.6091 -3.6091 -0.3896 -0.3896 1.2362 1.2362 1.2981 1.2981 1.5524 1.5524 1.9008 1.9008 2.2571 2.2571 3.3862 3.3862 3.3952 3.3952 4.9498 4.9498 5.0129 5.0129 5.0304 5.0304 6.7372 6.7372 7.3023 7.3023 7.4643 7.4643 8.7512 8.7512 8.8765 8.8765 k = 0.0833 0.0622 0.0000 ( 8821 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4578 -36.4578 -36.1796 -36.1796 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.3418 -7.3418 -4.5565 -4.5565 -4.3050 -4.3050 -4.2897 -4.2897 -3.5246 -3.5246 -0.4107 -0.4107 1.2491 1.2491 1.3106 1.3106 1.5819 1.5819 1.8758 1.8758 2.2962 2.2962 3.3926 3.3926 3.4018 3.4018 4.9123 4.9123 4.9754 4.9754 4.9901 4.9901 6.7635 6.7635 7.3490 7.3490 7.4649 7.4649 8.7267 8.7267 8.8472 8.8472 k = 0.1000 0.0747 0.0000 ( 8845 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4578 -36.4578 -36.1796 -36.1796 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.3304 -7.3304 -4.6407 -4.6407 -4.3067 -4.3067 -4.2917 -4.2917 -3.4373 -3.4373 -0.4356 -0.4356 1.2648 1.2648 1.3257 1.3257 1.6168 1.6168 1.8519 1.8519 2.3374 2.3374 3.4001 3.4001 3.4096 3.4096 4.8490 4.8490 4.9322 4.9322 4.9631 4.9631 6.7954 6.7954 7.3961 7.3961 7.4652 7.4652 8.6941 8.6941 8.8060 8.8060 k = 0.1167 0.0871 0.0000 ( 8841 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4578 -36.4578 -36.1795 -36.1795 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.3169 -7.3169 -4.7260 -4.7260 -4.3087 -4.3087 -4.2940 -4.2940 -3.3483 -3.3483 -0.4639 -0.4639 1.2831 1.2831 1.3434 1.3434 1.6565 1.6565 1.8296 1.8296 2.3801 2.3801 3.4087 3.4087 3.4186 3.4186 4.7666 4.7666 4.8968 4.8968 4.9324 4.9324 6.8329 6.8329 7.4384 7.4384 7.4649 7.4649 8.6536 8.6536 8.7520 8.7520 k = 0.1333 0.0996 0.0000 ( 8833 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4578 -36.4578 -36.1795 -36.1795 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.3014 -7.3014 -4.8117 -4.8117 -4.3109 -4.3109 -4.2965 -4.2965 -3.2585 -3.2585 -0.4951 -0.4951 1.3040 1.3040 1.3634 1.3634 1.7005 1.7005 1.8096 1.8096 2.4238 2.4238 3.4182 3.4182 3.4285 3.4285 4.6744 4.6744 4.8619 4.8619 4.8985 4.8985 6.8759 6.8759 7.4610 7.4610 7.4736 7.4736 8.6034 8.6034 8.6853 8.6853 k = 0.1500 0.1120 0.0000 ( 8841 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4578 -36.4578 -36.1795 -36.1795 -36.1783 -36.1783 -36.1614 -36.1614 -36.1606 -36.1606 -7.2838 -7.2838 -4.8975 -4.8975 -4.3133 -4.3133 -4.2993 -4.2993 -3.1683 -3.1683 -0.5289 -0.5289 1.3272 1.3272 1.3859 1.3859 1.7474 1.7474 1.7927 1.7927 2.4682 2.4682 3.4284 3.4284 3.4392 3.4392 4.5765 4.5765 4.8258 4.8258 4.8620 4.8620 6.9242 6.9242 7.4585 7.4585 7.4920 7.4920 8.5401 8.5401 8.6069 8.6069 k = 0.1667 0.1245 0.0000 ( 8841 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4579 -36.4579 -36.1795 -36.1795 -36.1784 -36.1784 -36.1614 -36.1614 -36.1606 -36.1606 -7.2642 -7.2642 -4.9829 -4.9829 -4.3159 -4.3159 -4.3023 -4.3023 -3.0782 -3.0782 -0.5650 -0.5650 1.3528 1.3528 1.4105 1.4105 1.7734 1.7734 1.8027 1.8027 2.5130 2.5130 3.4390 3.4390 3.4505 3.4505 4.4749 4.4749 4.7885 4.7885 4.8236 4.8236 6.9775 6.9775 7.4530 7.4530 7.4946 7.4946 8.4637 8.4637 8.5190 8.5190 k = 0.1833 0.1369 0.0000 ( 8845 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4579 -36.4579 -36.1795 -36.1795 -36.1784 -36.1784 -36.1614 -36.1614 -36.1607 -36.1607 -7.2425 -7.2425 -5.0677 -5.0677 -4.3186 -4.3186 -4.3055 -4.3055 -2.9884 -2.9884 -0.6030 -0.6030 1.3805 1.3805 1.4371 1.4371 1.7631 1.7631 1.8543 1.8543 2.5579 2.5579 3.4499 3.4499 3.4620 3.4620 4.3708 4.3708 4.7501 4.7501 4.7838 4.7838 7.0355 7.0355 7.4447 7.4447 7.4801 7.4801 8.3771 8.3771 8.4237 8.4237 k = 0.2000 0.1493 0.0000 ( 8857 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4588 -36.4588 -36.4579 -36.4579 -36.1795 -36.1795 -36.1784 -36.1784 -36.1613 -36.1613 -36.1607 -36.1607 -7.2188 -7.2188 -5.1519 -5.1519 -4.3215 -4.3215 -4.3088 -4.3088 -2.8990 -2.8990 -0.6426 -0.6426 1.4101 1.4101 1.4656 1.4656 1.7545 1.7545 1.9094 1.9094 2.6028 2.6028 3.4605 3.4605 3.4734 3.4734 4.2655 4.2655 4.7114 4.7114 4.7435 4.7435 7.0979 7.0979 7.4329 7.4329 7.4502 7.4502 8.2834 8.2834 8.3233 8.3233 k = 0.2167 0.1618 0.0000 ( 8861 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4587 -36.4579 -36.4579 -36.1795 -36.1795 -36.1784 -36.1784 -36.1613 -36.1613 -36.1607 -36.1607 -7.1931 -7.1931 -5.2352 -5.2352 -4.3244 -4.3244 -4.3122 -4.3122 -2.8104 -2.8104 -0.6837 -0.6837 1.4415 1.4415 1.4957 1.4957 1.7490 1.7490 1.9659 1.9659 2.6473 2.6473 3.4707 3.4707 3.4843 3.4843 4.1597 4.1597 4.6729 4.6729 4.7032 4.7032 7.1634 7.1634 7.4050 7.4050 7.4209 7.4209 8.1851 8.1851 8.2197 8.2197 k = 0.2333 0.1742 0.0000 ( 8881 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4587 -36.4580 -36.4580 -36.1794 -36.1794 -36.1785 -36.1785 -36.1613 -36.1613 -36.1607 -36.1607 -7.1654 -7.1654 -5.3176 -5.3176 -4.3273 -4.3273 -4.3158 -4.3158 -2.7227 -2.7227 -0.7259 -0.7259 1.4745 1.4745 1.5272 1.5272 1.7469 1.7469 2.0230 2.0230 2.6913 2.6913 3.4800 3.4800 3.4944 3.4944 4.0544 4.0544 4.6354 4.6354 4.6638 4.6638 7.2293 7.2293 7.3532 7.3532 7.4052 7.4052 8.0844 8.0844 8.1147 8.1147 k = 0.2500 0.1867 0.0000 ( 8857 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4587 -36.4580 -36.4580 -36.1794 -36.1794 -36.1785 -36.1785 -36.1613 -36.1613 -36.1607 -36.1607 -7.1356 -7.1356 -5.3990 -5.3990 -4.3303 -4.3303 -4.3193 -4.3193 -2.6360 -2.6360 -0.7692 -0.7692 1.5088 1.5088 1.5599 1.5599 1.7485 1.7485 2.0800 2.0800 2.7344 2.7344 3.4879 3.4879 3.5032 3.5032 3.9503 3.9503 4.5994 4.5994 4.6260 4.6260 7.2830 7.2830 7.2956 7.2956 7.4006 7.4006 7.9830 7.9830 8.0096 8.0096 k = 0.2667 0.1991 0.0000 ( 8877 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4587 -36.4580 -36.4580 -36.1794 -36.1794 -36.1785 -36.1785 -36.1613 -36.1613 -36.1608 -36.1608 -7.1039 -7.1039 -5.4793 -5.4793 -4.3333 -4.3333 -4.3229 -4.3229 -2.5506 -2.5506 -0.8135 -0.8135 1.5442 1.5442 1.5935 1.5935 1.7539 1.7539 2.1361 2.1361 2.7766 2.7766 3.4940 3.4940 3.5101 3.5101 3.8481 3.8481 4.5658 4.5658 4.5904 4.5904 7.2323 7.2323 7.2958 7.2958 7.4374 7.4374 7.8823 7.8823 7.9058 7.9058 k = 0.2833 0.2116 0.0000 ( 8861 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4587 -36.4587 -36.4580 -36.4580 -36.1793 -36.1793 -36.1785 -36.1785 -36.1613 -36.1613 -36.1608 -36.1608 -7.0702 -7.0702 -5.5584 -5.5584 -4.3361 -4.3361 -4.3264 -4.3264 -2.4665 -2.4665 -0.8587 -0.8587 1.5803 1.5803 1.6277 1.6277 1.7632 1.7632 2.1903 2.1903 2.8174 2.8174 3.4979 3.4979 3.5148 3.5148 3.7487 3.7487 4.5351 4.5351 4.5578 4.5578 7.1689 7.1689 7.2709 7.2709 7.5088 7.5088 7.7836 7.7836 7.8042 7.8042 k = 0.3000 0.2240 0.0000 ( 8865 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4586 -36.4580 -36.4580 -36.1793 -36.1793 -36.1785 -36.1785 -36.1613 -36.1613 -36.1608 -36.1608 -7.0345 -7.0345 -5.6363 -5.6363 -4.3389 -4.3389 -4.3299 -4.3299 -2.3838 -2.3838 -0.9046 -0.9046 1.6168 1.6168 1.6620 1.6620 1.7766 1.7766 2.2418 2.2418 2.8566 2.8566 3.4992 3.4992 3.5167 3.5167 3.6531 3.6531 4.5080 4.5080 4.5288 4.5288 7.1058 7.1058 7.2325 7.2325 7.5912 7.5912 7.6888 7.6888 7.7059 7.7059 k = 0.3167 0.2365 0.0000 ( 8853 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4586 -36.4580 -36.4580 -36.1793 -36.1793 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.9968 -6.9968 -5.7129 -5.7129 -4.3416 -4.3416 -4.3332 -4.3332 -2.3028 -2.3028 -0.9514 -0.9514 1.6535 1.6535 1.6962 1.6962 1.7940 1.7940 2.2893 2.2893 2.8940 2.8940 3.4974 3.4974 3.5149 3.5149 3.5633 3.5633 4.4848 4.4848 4.5037 4.5037 7.0447 7.0447 7.1874 7.1874 7.5924 7.5924 7.6109 7.6109 7.6853 7.6853 k = 0.3333 0.2489 0.0000 ( 8845 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4586 -36.4580 -36.4580 -36.1793 -36.1793 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.9572 -6.9572 -5.7882 -5.7882 -4.3441 -4.3441 -4.3365 -4.3365 -2.2234 -2.2234 -0.9990 -0.9990 1.6898 1.6898 1.7298 1.7298 1.8155 1.8155 2.3314 2.3314 2.9292 2.9292 3.4704 3.4704 3.4969 3.4969 3.5148 3.5148 4.4659 4.4659 4.4829 4.4829 6.9865 6.9865 7.1381 7.1381 7.5061 7.5061 7.5216 7.5216 7.7769 7.7769 k = 0.3500 0.2613 0.0000 ( 8845 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4586 -36.4581 -36.4581 -36.1792 -36.1792 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.9157 -6.9157 -5.8620 -5.8620 -4.3465 -4.3465 -4.3395 -4.3395 -2.1457 -2.1457 -1.0474 -1.0474 1.7253 1.7253 1.7624 1.7624 1.8410 1.8410 2.3666 2.3666 2.9620 2.9620 3.3949 3.3949 3.4886 3.4886 3.5067 3.5067 4.4512 4.4512 4.4664 4.4664 6.9325 6.9325 7.0864 7.0864 7.4242 7.4242 7.4376 7.4376 7.8725 7.8725 k = 0.3667 0.2738 0.0000 ( 8845 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4585 -36.4581 -36.4581 -36.1792 -36.1792 -36.1786 -36.1786 -36.1612 -36.1612 -36.1609 -36.1609 -6.8723 -6.8723 -5.9345 -5.9345 -4.3486 -4.3486 -4.3424 -4.3424 -2.0699 -2.0699 -1.0967 -1.0967 1.7597 1.7597 1.7937 1.7937 1.8703 1.8703 2.3928 2.3928 2.9920 2.9920 3.3254 3.3254 3.4796 3.4796 3.4972 3.4972 4.4406 4.4406 4.4540 4.4540 6.8833 6.8833 7.0339 7.0339 7.3483 7.3483 7.3599 7.3599 7.9704 7.9704 k = 0.3833 0.2862 0.0000 ( 8868 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4585 -36.4581 -36.4581 -36.1792 -36.1792 -36.1787 -36.1787 -36.1612 -36.1612 -36.1609 -36.1609 -6.8270 -6.8270 -6.0055 -6.0055 -4.3505 -4.3505 -4.3450 -4.3450 -1.9960 -1.9960 -1.1469 -1.1469 1.7924 1.7924 1.8231 1.8231 1.9032 1.9032 2.4085 2.4085 3.0190 3.0190 3.2659 3.2659 3.4690 3.4690 3.4857 3.4857 4.4336 4.4336 4.4453 4.4453 6.8397 6.8397 6.9820 6.9820 7.2793 7.2793 7.2893 7.2893 8.0698 8.0698 k = 0.4000 0.2987 0.0000 ( 8860 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4585 -36.4582 -36.4582 -36.1791 -36.1791 -36.1787 -36.1787 -36.1612 -36.1612 -36.1609 -36.1609 -6.7798 -6.7798 -6.0749 -6.0749 -4.3521 -4.3521 -4.3474 -4.3474 -1.9240 -1.9240 -1.1981 -1.1981 1.8229 1.8229 1.8501 1.8501 1.9396 1.9396 2.4119 2.4119 3.0428 3.0428 3.2176 3.2176 3.4577 3.4577 3.4730 3.4730 4.4297 4.4297 4.4397 4.4397 6.8024 6.8024 6.9320 6.9320 7.2178 7.2178 7.2263 7.2263 8.1701 8.1701 k = 0.4167 0.3111 0.0000 ( 8844 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4584 -36.4582 -36.4582 -36.1791 -36.1791 -36.1787 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.7307 -6.7307 -6.1429 -6.1429 -4.3535 -4.3535 -4.3495 -4.3495 -1.8539 -1.8539 -1.2504 -1.2504 1.8506 1.8506 1.8740 1.8740 1.9793 1.9793 2.4025 2.4025 3.0631 3.0631 3.1812 3.1812 3.4464 3.4464 3.4599 3.4599 4.4282 4.4282 4.4365 4.4365 6.7720 6.7720 6.8853 6.8853 7.1646 7.1646 7.1716 7.1716 8.2707 8.2707 k = 0.4333 0.3236 0.0000 ( 8844 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4584 -36.4582 -36.4582 -36.1790 -36.1790 -36.1788 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.6798 -6.6798 -6.2092 -6.2092 -4.3545 -4.3545 -4.3513 -4.3513 -1.7857 -1.7857 -1.3039 -1.3039 1.8748 1.8748 1.8941 1.8941 2.0221 2.0221 2.3807 2.3807 3.0800 3.0800 3.1557 3.1557 3.4359 3.4359 3.4472 3.4472 4.4284 4.4284 4.4350 4.4350 6.7490 6.7490 6.8430 6.8430 7.1203 7.1203 7.1258 7.1258 8.3710 8.3710 k = 0.4500 0.3360 0.0000 ( 8836 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4584 -36.4582 -36.4582 -36.1790 -36.1790 -36.1788 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.6271 -6.6271 -6.2740 -6.2740 -4.3553 -4.3553 -4.3529 -4.3529 -1.7194 -1.7194 -1.3586 -1.3586 1.8950 1.8950 1.9098 1.9098 2.0677 2.0677 2.3486 2.3486 3.0934 3.0934 3.1392 3.1392 3.4271 3.4271 3.4359 3.4359 4.4296 4.4296 4.4345 4.4345 6.7336 6.7336 6.8061 6.8061 7.0853 7.0853 7.0894 7.0894 8.4704 8.4704 k = 0.4667 0.3485 0.0000 ( 8824 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4582 -36.4582 -36.1790 -36.1790 -36.1788 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.5726 -6.5726 -6.3371 -6.3371 -4.3557 -4.3557 -4.3541 -4.3541 -1.6550 -1.6550 -1.4148 -1.4148 1.9107 1.9107 1.9207 1.9207 2.1156 2.1156 2.3084 2.3084 3.1036 3.1036 3.1290 3.1290 3.4207 3.4207 3.4268 3.4268 4.4311 4.4311 4.4344 4.4344 6.7261 6.7261 6.7754 6.7754 7.0602 7.0602 7.0629 7.0629 8.5681 8.5681 k = 0.4833 0.3609 0.0000 ( 8820 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1788 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.5163 -6.5163 -6.3986 -6.3986 -4.3558 -4.3558 -4.3550 -4.3550 -1.5924 -1.5924 -1.4724 -1.4724 1.9212 1.9212 1.9263 1.9263 2.1648 2.1648 2.2629 2.2629 3.1112 3.1112 3.1224 3.1224 3.4173 3.4173 3.4204 3.4204 4.4325 4.4325 4.4342 4.4342 6.7267 6.7267 6.7516 6.7516 7.0452 7.0452 7.0466 7.0466 8.6636 8.6636 k = 0.5000 0.3734 0.0000 ( 8828 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4583 -6.4583 -6.4583 -6.4583 -4.3555 -4.3555 -4.3555 -4.3555 -1.5316 -1.5316 -1.5316 -1.5316 1.9265 1.9265 1.9265 1.9265 2.2144 2.2144 2.2144 2.2144 3.1171 3.1171 3.1171 3.1171 3.4171 3.4171 3.4171 3.4171 4.4336 4.4336 4.4336 4.4336 6.7352 6.7352 6.7352 6.7352 7.0407 7.0407 7.0407 7.0407 8.7562 8.7562 k = 0.5000 0.3734 0.0000 ( 8828 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4583 -6.4583 -6.4583 -6.4583 -4.3555 -4.3555 -4.3555 -4.3555 -1.5316 -1.5316 -1.5316 -1.5316 1.9265 1.9265 1.9265 1.9265 2.2144 2.2144 2.2144 2.2144 3.1171 3.1171 3.1171 3.1171 3.4171 3.4171 3.4171 3.4171 4.4336 4.4336 4.4336 4.4336 6.7352 6.7352 6.7352 6.7352 7.0407 7.0407 7.0407 7.0407 8.7562 8.7562 k = 0.4914 0.3849 0.0144 ( 8832 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4584 -6.4584 -6.4575 -6.4574 -4.3577 -4.3577 -4.3557 -4.3550 -1.5328 -1.5321 -1.5284 -1.5280 1.9205 1.9223 1.9250 1.9264 2.2084 2.2119 2.2189 2.2200 3.1075 3.1120 3.1173 3.1188 3.4159 3.4165 3.4243 3.4257 4.4310 4.4312 4.4346 4.4351 6.7313 6.7314 6.7398 6.7401 7.0440 7.0448 7.0479 7.0496 8.7572 8.7577 k = 0.4828 0.3964 0.0287 ( 8816 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4587 -6.4586 -6.4548 -6.4546 -4.3642 -4.3642 -4.3555 -4.3540 -1.5358 -1.5342 -1.5187 -1.5178 1.9065 1.9102 1.9204 1.9231 2.1969 2.2043 2.2296 2.2313 3.0860 3.0939 3.1193 3.1221 3.4129 3.4141 3.4458 3.4476 4.4234 4.4238 4.4381 4.4390 6.7210 6.7212 6.7538 6.7543 7.0546 7.0564 7.0698 7.0731 8.7634 8.7649 k = 0.4742 0.4079 0.0431 ( 8812 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4591 -6.4589 -6.4504 -6.4501 -4.3748 -4.3748 -4.3550 -4.3528 -1.5405 -1.5382 -1.5026 -1.5011 1.8861 1.8915 1.9130 1.9170 2.1799 2.1907 2.2455 2.2479 3.0559 3.0661 3.1229 3.1270 3.4078 3.4097 3.4781 3.4793 4.4109 4.4115 4.4440 4.4454 6.7071 6.7076 6.7771 6.7778 7.0725 7.0751 7.1035 7.1083 8.7747 8.7776 k = 0.4657 0.4193 0.0574 ( 8811 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4598 -6.4595 -6.4443 -6.4438 -4.3893 -4.3892 -4.3541 -4.3511 -1.5470 -1.5439 -1.4803 -1.4784 1.8610 1.8682 1.9030 1.9083 2.1580 2.1719 2.2650 2.2680 3.0202 3.0317 3.1283 3.1336 3.4004 3.4030 3.5177 3.5178 4.3937 4.3946 4.4524 4.4542 6.6925 6.6934 6.8093 6.8101 7.0974 7.1007 7.1462 7.1525 8.7911 8.7957 k = 0.4571 0.4308 0.0718 ( 8813 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4608 -6.4604 -6.4363 -6.4358 -4.4072 -4.4071 -4.3528 -4.3491 -1.5553 -1.5514 -1.4523 -1.4499 1.8331 1.8418 1.8903 1.8970 2.1321 2.1486 2.2867 2.2902 2.9809 2.9929 3.1354 3.1417 3.3903 3.3937 3.5607 3.5625 4.3721 4.3733 4.4633 4.4656 6.6792 6.6805 6.8500 6.8510 7.1288 7.1327 7.1958 7.2036 8.8129 8.8189 k = 0.4485 0.4423 0.0861 ( 8815 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4620 -6.4616 -6.4266 -6.4259 -4.4282 -4.4281 -4.3512 -4.3468 -1.5653 -1.5607 -1.4190 -1.4161 1.8035 1.8137 1.8751 1.8830 2.1031 2.1217 2.3096 2.3135 2.9390 2.9510 3.1441 3.1512 3.3773 3.3815 3.6070 3.6106 4.3464 4.3479 4.4767 4.4794 6.6686 6.6703 6.8987 6.8999 7.1661 7.1705 7.2510 7.2604 8.8399 8.8470 k = 0.4399 0.4538 0.1005 ( 8817 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4637 -6.4633 -6.4151 -6.4143 -4.4519 -4.4516 -4.3493 -4.3442 -1.5772 -1.5719 -1.3810 -1.3776 1.7732 1.7848 1.8573 1.8666 2.0719 2.0922 2.3331 2.3371 2.8952 2.9069 3.1544 3.1622 3.3611 3.3663 3.6557 3.6611 4.3169 4.3187 4.4926 4.4956 6.6614 6.6635 6.9550 6.9562 7.2086 7.2134 7.3111 7.3221 8.8724 8.8797 k = 0.4313 0.4653 0.1148 ( 8829 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.4659 -6.4654 -6.4019 -6.4010 -4.4775 -4.4772 -4.3471 -4.3412 -1.5911 -1.5851 -1.3389 -1.3350 1.7430 1.7559 1.8372 1.8477 2.0395 2.0611 2.3567 2.3607 2.8500 2.8612 3.1663 3.1746 3.3417 3.3478 3.7060 3.7131 4.2840 4.2862 4.5107 4.5141 6.6582 6.6606 7.0182 7.0194 7.2554 7.2604 7.3758 7.3885 8.9104 8.9166 k = 0.4227 0.4768 0.1292 ( 8833 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1790 -36.1789 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.4688 -6.4682 -6.3869 -6.3859 -4.5048 -4.5044 -4.3446 -4.3380 -1.6068 -1.6002 -1.2933 -1.2889 1.7133 1.7274 1.8148 1.8266 2.0068 2.0292 2.3802 2.3841 2.8039 2.8144 3.1797 3.1884 3.3189 3.3261 3.7573 3.7659 4.2482 4.2509 4.5309 4.5346 6.6591 6.6619 7.0875 7.0888 7.3054 7.3106 7.4450 7.4594 8.9539 8.9572 k = 0.4141 0.4883 0.1435 ( 8829 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1790 -36.1789 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.4723 -6.4717 -6.3702 -6.3691 -4.5330 -4.5325 -4.3418 -4.3345 -1.6245 -1.6173 -1.2448 -1.2399 1.6846 1.6998 1.7903 1.8034 1.9745 1.9975 2.4034 2.4069 2.7571 2.7668 3.1944 3.2036 3.2928 3.3013 3.8092 3.8191 4.2099 4.2130 4.5529 4.5570 6.6642 6.6674 7.1624 7.1636 7.3575 7.3628 7.5190 7.5350 9.0011 9.0031 k = 0.4056 0.4998 0.1579 ( 8835 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1790 -36.1789 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.4767 -6.4761 -6.3518 -6.3505 -4.5618 -4.5611 -4.3387 -4.3308 -1.6442 -1.6364 -1.1942 -1.1888 1.6574 1.6735 1.7640 1.7784 1.9433 1.9668 2.4262 2.4292 2.7101 2.7189 3.2100 3.2202 3.2635 3.2743 3.8610 3.8721 4.1695 4.1731 4.5765 4.5808 6.6734 6.6770 7.2418 7.2431 7.4107 7.4160 7.5979 7.6154 9.0476 9.0579 k = 0.3970 0.5113 0.1722 ( 8815 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1790 -36.1789 -36.1788 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.4820 -6.4814 -6.3316 -6.3303 -4.5905 -4.5897 -4.3354 -4.3268 -1.6660 -1.6577 -1.1420 -1.1360 1.6317 1.6486 1.7361 1.7518 1.9141 1.9377 2.4485 2.4508 2.6630 2.6710 3.2207 3.2310 3.2388 3.2507 3.9124 3.9245 4.1275 4.1317 4.6012 4.6057 6.6866 6.6906 7.3251 7.3263 7.4639 7.4692 7.6818 7.7007 9.0962 9.1182 k = 0.3884 0.5228 0.1866 ( 8803 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1790 -36.1789 -36.1788 -36.1788 -36.1610 -36.1610 -36.1609 -36.1609 -6.4885 -6.4878 -6.3098 -6.3084 -4.6187 -4.6177 -4.3319 -4.3227 -1.6898 -1.6811 -1.0890 -1.0825 1.6078 1.6252 1.7071 1.7242 1.8874 1.9109 2.4701 2.4716 2.6162 2.6233 3.1963 3.2009 3.2566 3.2583 3.9629 3.9757 4.0844 4.0892 4.6267 4.6313 6.7035 6.7079 7.4112 7.4124 7.5165 7.5216 7.7706 7.7908 9.1458 9.1809 k = 0.3798 0.5343 0.2009 ( 8809 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1790 -36.1789 -36.1788 -36.1788 -36.1610 -36.1610 -36.1609 -36.1609 -6.4962 -6.4955 -6.2863 -6.2848 -4.6460 -4.6448 -4.3283 -4.3184 -1.7158 -1.7066 -1.0357 -1.0287 1.5854 1.6031 1.6774 1.6961 1.8638 1.8871 2.4909 2.4915 2.5700 2.5762 3.1590 3.1663 3.2766 3.2796 4.0115 4.0243 4.0411 4.0474 4.6525 4.6571 6.7238 6.7286 7.4990 7.5002 7.5678 7.5727 7.8642 7.8856 9.1957 9.2362 k = 0.3712 0.5458 0.2153 ( 8809 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4583 -36.4582 -36.4582 -36.1790 -36.1790 -36.1788 -36.1788 -36.1610 -36.1610 -36.1609 -36.1609 -6.5053 -6.5046 -6.2612 -6.2596 -4.6718 -4.6705 -4.3245 -4.3139 -1.7438 -1.7342 -0.9829 -0.9754 1.5641 1.5817 1.6481 1.6684 1.8440 1.8669 2.5093 2.5100 2.5255 2.5306 3.1195 3.1282 3.2998 3.3026 3.9958 4.0018 4.0603 4.0746 4.6780 4.6826 6.7471 6.7523 7.5872 7.5885 7.6175 7.6221 7.9621 7.9846 9.2448 9.2891 k = 0.3626 0.5573 0.2296 ( 8805 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4583 -36.4582 -36.4582 -36.1790 -36.1790 -36.1788 -36.1787 -36.1610 -36.1610 -36.1609 -36.1609 -6.5158 -6.5151 -6.2344 -6.2327 -4.6960 -4.6944 -4.3205 -4.3094 -1.7738 -1.7640 -0.9312 -0.9231 1.5429 1.5602 1.6205 1.6428 1.8283 1.8508 2.4789 2.4834 2.5291 2.5307 3.0784 3.0880 3.3251 3.3272 3.9521 3.9590 4.1057 4.1202 4.7028 4.7074 6.7729 6.7786 7.6644 7.6693 7.6755 7.6761 8.0640 8.0875 9.2919 9.3397 k = 0.3540 0.5688 0.2440 ( 8821 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4584 -36.4582 -36.4582 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5279 -6.5272 -6.2061 -6.2042 -4.7181 -4.7163 -4.3165 -4.3048 -1.8059 -1.7959 -0.8811 -0.8724 1.5201 1.5369 1.5967 1.6208 1.8172 1.8393 2.4356 2.4392 2.5455 2.5482 3.0361 3.0463 3.3523 3.3534 3.9090 3.9168 4.1487 4.1635 4.7263 4.7309 6.8008 6.8069 7.7107 7.7146 7.7597 7.7609 8.1693 8.1938 9.3365 9.3870 k = 0.3455 0.5803 0.2583 ( 8831 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4584 -36.4582 -36.4582 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5416 -6.5410 -6.1761 -6.1742 -4.7378 -4.7358 -4.3124 -4.3001 -1.8401 -1.8298 -0.8332 -0.8240 1.4941 1.5107 1.5787 1.6042 1.8111 1.8327 2.3934 2.3962 2.5607 2.5645 2.9928 3.0037 3.3812 3.3813 3.8672 3.8759 4.1890 4.2039 4.7482 4.7527 6.8302 6.8368 7.7546 7.7579 7.8399 7.8415 8.2773 8.3027 9.3784 9.4307 k = 0.3369 0.5918 0.2727 ( 8821 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4584 -36.4582 -36.4582 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5570 -6.5564 -6.1446 -6.1425 -4.7550 -4.7528 -4.3082 -4.2955 -1.8762 -1.8658 -0.7880 -0.7783 1.4645 1.4814 1.5670 1.5932 1.8103 1.8313 2.3526 2.3547 2.5741 2.5791 2.9492 2.9607 3.4107 3.4117 3.8272 3.8368 4.2261 4.2411 4.7678 4.7722 6.8607 6.8677 7.7967 7.7993 7.9137 7.9158 8.3873 8.4137 9.4189 9.4716 k = 0.3283 0.6033 0.2870 ( 8817 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5741 -6.5735 -6.1115 -6.1094 -4.7695 -4.7669 -4.3041 -4.2908 -1.9142 -1.9037 -0.7458 -0.7357 1.4324 1.4499 1.5608 1.5874 1.8148 1.8353 2.3133 2.3147 2.5856 2.5918 2.9057 2.9177 3.4414 3.4435 3.7896 3.8003 4.2597 4.2746 4.7849 4.7890 6.8915 6.8991 7.8372 7.8391 7.9790 7.9820 8.4985 8.5258 9.4603 9.5120 k = 0.3197 0.6148 0.3014 ( 8825 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5928 -6.5924 -6.0770 -6.0748 -4.7810 -4.7782 -4.2999 -4.2862 -1.9541 -1.9436 -0.7071 -0.6966 1.3988 1.4170 1.5593 1.5861 1.8245 1.8447 2.2757 2.2764 2.5948 2.6022 2.8630 2.8755 3.4730 3.4762 3.7552 3.7670 4.2893 4.3041 4.7988 4.8028 6.9223 6.9303 7.8766 7.8776 8.0343 8.0382 8.6101 8.6383 9.5059 9.5555 k = 0.3197 0.6148 0.3014 ( 8825 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5928 -6.5924 -6.0770 -6.0748 -4.7810 -4.7782 -4.2999 -4.2862 -1.9541 -1.9436 -0.7071 -0.6966 1.3988 1.4170 1.5593 1.5861 1.8245 1.8447 2.2757 2.2764 2.5948 2.6022 2.8630 2.8755 3.4730 3.4762 3.7552 3.7670 4.2893 4.3041 4.7988 4.8028 6.9223 6.9303 7.8766 7.8776 8.0343 8.0382 8.6101 8.6383 9.5059 9.5555 k = 0.3009 0.6093 0.3082 ( 8824 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1791 -36.1791 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.6042 -6.6037 -6.0578 -6.0556 -4.7846 -4.7816 -4.2984 -4.2844 -1.9761 -1.9657 -0.6880 -0.6774 1.3809 1.3993 1.5573 1.5837 1.8345 1.8544 2.2607 2.2614 2.5945 2.6037 2.8435 2.8567 3.4868 3.4909 3.7425 3.7548 4.3005 4.3149 4.8051 4.8089 6.9402 6.9485 7.8938 7.8983 8.0525 8.0567 8.6695 8.6979 9.5306 9.5791 k = 0.2821 0.6038 0.3151 ( 8829 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1791 -36.1791 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.6186 -6.6181 -6.0352 -6.0329 -4.7856 -4.7823 -4.2977 -4.2835 -2.0029 -1.9925 -0.6665 -0.6557 1.3600 1.3783 1.5512 1.5770 1.8508 1.8704 2.2509 2.2520 2.5860 2.5985 2.8265 2.8411 3.4979 3.5034 3.7352 3.7480 4.3077 4.3214 4.8111 4.8146 6.9646 6.9732 7.9109 7.9204 8.0621 8.0668 8.7385 8.7664 9.5601 9.6076 k = 0.2633 0.5983 0.3219 ( 8829 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1792 -36.1791 -36.1787 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.6349 -6.6344 -6.0104 -6.0081 -4.7839 -4.7800 -4.2980 -4.2835 -2.0335 -2.0232 -0.6428 -0.6321 1.3367 1.3545 1.5425 1.5673 1.8711 1.8905 2.2464 2.2481 2.5703 2.5861 2.8131 2.8294 3.5068 3.5139 3.7331 3.7463 4.3111 4.3237 4.8158 4.8188 6.9953 7.0042 7.9280 7.9431 8.0675 8.0734 8.8131 8.8402 9.5951 9.6422 k = 0.2445 0.5929 0.3288 ( 8833 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1792 -36.1791 -36.1787 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.6521 -6.6517 -5.9848 -5.9825 -4.7793 -4.7748 -4.2995 -4.2848 -2.0670 -2.0568 -0.6176 -0.6070 1.3115 1.3288 1.5320 1.5557 1.8932 1.9125 2.2469 2.2496 2.5494 2.5678 2.8030 2.8205 3.5138 3.5224 3.7362 3.7495 4.3110 4.3221 4.8178 4.8203 7.0320 7.0412 7.9443 7.9647 8.0732 8.0804 8.8906 8.9165 9.6332 9.6802 k = 0.2257 0.5874 0.3356 ( 8833 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4585 -36.4582 -36.4581 -36.1792 -36.1791 -36.1787 -36.1786 -36.1611 -36.1611 -36.1609 -36.1609 -6.6695 -6.6691 -5.9593 -5.9570 -4.7717 -4.7666 -4.3023 -4.2873 -2.1024 -2.0925 -0.5913 -0.5809 1.2853 1.3019 1.5202 1.5430 1.9154 1.9347 2.2521 2.2561 2.5259 2.5460 2.7949 2.8130 3.5196 3.5295 3.7442 3.7574 4.3074 4.3171 4.8159 4.8181 7.0745 7.0840 7.9585 7.9826 8.0843 8.0914 8.9694 8.9940 9.6649 9.6996 k = 0.2069 0.5819 0.3425 ( 8837 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4585 -36.4581 -36.4581 -36.1792 -36.1791 -36.1787 -36.1786 -36.1611 -36.1611 -36.1609 -36.1609 -6.6867 -6.6863 -5.9346 -5.9324 -4.7611 -4.7553 -4.3066 -4.2913 -2.1389 -2.1293 -0.5644 -0.5543 1.2587 1.2745 1.5077 1.5293 1.9366 1.9558 2.2616 2.2668 2.5020 2.5232 2.7873 2.8055 3.5249 3.5358 3.7570 3.7697 4.3007 4.3090 4.8095 4.8113 7.1224 7.1324 7.9692 7.9937 8.1051 8.1090 9.0488 9.0717 9.6578 9.6777 k = 0.1881 0.5764 0.3493 ( 8836 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4585 -36.4581 -36.4581 -36.1792 -36.1791 -36.1787 -36.1786 -36.1612 -36.1611 -36.1609 -36.1608 -6.7031 -6.7027 -5.9112 -5.9092 -4.7477 -4.7412 -4.3124 -4.2970 -2.1756 -2.1663 -0.5374 -0.5277 1.2325 1.2474 1.4945 1.5149 1.9559 1.9749 2.2747 2.2813 2.4796 2.5014 2.7787 2.7967 3.5303 3.5420 3.7741 3.7861 4.2911 4.2983 4.7980 4.7996 7.1756 7.1860 7.9755 7.9976 8.1343 8.1372 9.1279 9.1491 9.6270 9.6475 k = 0.1693 0.5709 0.3562 ( 8838 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4581 -36.4581 -36.1792 -36.1792 -36.1787 -36.1786 -36.1612 -36.1612 -36.1609 -36.1608 -6.7185 -6.7182 -5.8897 -5.8877 -4.7315 -4.7243 -4.3199 -4.3043 -2.2116 -2.2028 -0.5109 -0.5017 1.2072 1.2211 1.4808 1.4999 1.9729 1.9914 2.2908 2.2987 2.4600 2.4822 2.7683 2.7860 3.5366 3.5488 3.7950 3.8060 4.2791 4.2853 4.7813 4.7827 7.2335 7.2443 7.9773 7.9966 8.1681 8.1769 9.2056 9.2248 9.5943 9.6166 k = 0.1504 0.5654 0.3630 ( 8832 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4581 -36.4581 -36.1792 -36.1792 -36.1787 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7327 -6.7324 -5.8702 -5.8684 -4.7128 -4.7049 -4.3292 -4.3135 -2.2461 -2.2379 -0.4853 -0.4767 1.1834 1.1962 1.4668 1.4844 1.9876 2.0051 2.3090 2.3180 2.4442 2.4668 2.7555 2.7728 3.5444 3.5567 3.8191 3.8289 4.2651 4.2707 4.7596 4.7609 7.2956 7.3067 7.9754 7.9922 8.2082 8.2225 9.2797 9.2968 9.5623 9.5881 k = 0.1316 0.5599 0.3699 ( 8835 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4581 -36.4581 -36.1792 -36.1792 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7455 -6.7452 -5.8530 -5.8513 -4.6919 -4.6834 -4.3401 -4.3246 -2.2784 -2.2709 -0.4612 -0.4533 1.1617 1.1732 1.4529 1.4688 1.9998 2.0162 2.3278 2.3375 2.4337 2.4562 2.7399 2.7568 3.5538 3.5660 3.8454 3.8540 4.2497 4.2550 4.7335 4.7351 7.3612 7.3726 7.9702 7.9852 8.2527 8.2715 9.3462 9.3608 9.5313 9.5643 k = 0.1128 0.5544 0.3767 ( 8831 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4581 -36.4580 -36.1792 -36.1792 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7567 -6.7565 -5.8381 -5.8366 -4.6694 -4.6603 -4.3528 -4.3375 -2.3078 -2.3011 -0.4389 -0.4318 1.1423 1.1525 1.4394 1.4534 2.0100 2.0247 2.3451 2.3542 2.4306 2.4523 2.7217 2.7382 3.5649 3.5765 3.8732 3.8804 4.2336 4.2391 4.7043 4.7061 7.4291 7.4409 7.9617 7.9755 8.2992 8.3212 9.3983 9.4089 9.4997 9.5462 k = 0.0940 0.5489 0.3836 ( 8824 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4581 -36.4580 -36.1792 -36.1792 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7664 -6.7662 -5.8255 -5.8243 -4.6458 -4.6363 -4.3670 -4.3521 -2.3337 -2.3279 -0.4190 -0.4129 1.1256 1.1343 1.4269 1.4389 2.0184 2.0311 2.3579 2.3644 2.4381 2.4573 2.7008 2.7169 3.5771 3.5878 3.9012 3.9069 4.2180 4.2236 4.6735 4.6754 7.4982 7.5103 7.9498 7.9628 8.3453 8.3691 9.4280 9.4325 9.4654 9.5281 k = 0.0752 0.5434 0.3904 ( 8820 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4581 -36.4580 -36.1792 -36.1792 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7744 -6.7743 -5.8153 -5.8143 -4.6219 -4.6122 -4.3822 -4.3681 -2.3555 -2.3507 -0.4018 -0.3968 1.1119 1.1190 1.4159 1.4256 2.0252 2.0357 2.3646 2.3678 2.4556 2.4718 2.6776 2.6933 3.5898 3.5990 3.9279 3.9321 4.2037 4.2094 4.6429 4.6449 7.5667 7.5791 7.9337 7.9464 8.3882 8.4119 9.4246 9.4309 9.4432 9.4995 k = 0.0564 0.5380 0.3973 ( 8823 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4586 -36.4580 -36.4580 -36.1792 -36.1792 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7807 -6.7806 -5.8074 -5.8067 -4.5986 -4.5893 -4.3976 -4.3849 -2.3728 -2.3691 -0.3879 -0.3840 1.1012 1.1067 1.4069 1.4143 2.0307 2.0387 2.3666 2.3679 2.4792 2.4936 2.6526 2.6677 3.6018 3.6092 3.9517 3.9544 4.1921 4.1974 4.6149 4.6168 7.6330 7.6456 7.9128 7.9254 8.4254 8.4467 9.3921 9.4161 9.4416 9.4700 k = 0.0376 0.5325 0.4041 ( 8824 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4586 -36.4580 -36.4580 -36.1792 -36.1792 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7852 -6.7851 -5.8018 -5.8013 -4.5775 -4.5695 -4.4115 -4.4012 -2.3853 -2.3828 -0.3775 -0.3749 1.0938 1.0975 1.4004 1.4055 2.0349 2.0404 2.3663 2.3672 2.5056 2.5191 2.6265 2.6409 3.6120 3.6172 3.9704 3.9719 4.1840 4.1882 4.5921 4.5936 7.6949 7.7074 7.8864 7.8988 8.4548 8.4710 9.3679 9.3926 9.4388 9.4519 k = 0.0188 0.5270 0.4110 ( 8829 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4586 -36.4581 -36.4580 -36.1792 -36.1792 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7879 -6.7878 -5.7984 -5.7981 -4.5611 -4.5561 -4.4210 -4.4149 -2.3926 -2.3913 -0.3709 -0.3695 1.0897 1.0916 1.3969 1.3995 2.0380 2.0408 2.3658 2.3663 2.5325 2.5444 2.6014 2.6139 3.6192 3.6219 3.9824 3.9831 4.1798 4.1822 4.5772 4.5781 7.7495 7.7611 7.8553 7.8667 8.4749 8.4837 9.3563 9.3708 9.4373 9.4427 k = 0.0000 0.5215 0.4178 ( 8824 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4586 -36.4580 -36.4580 -36.1792 -36.1792 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7888 -6.7888 -5.7972 -5.7972 -4.5530 -4.5530 -4.4225 -4.4225 -2.3946 -2.3946 -0.3682 -0.3682 1.0890 1.0890 1.3966 1.3966 2.0400 2.0400 2.3658 2.3658 2.5537 2.5537 2.5925 2.5925 3.6227 3.6227 3.9867 3.9867 4.1794 4.1794 4.5723 4.5723 7.7859 7.7859 7.8382 7.8382 8.4848 8.4848 9.3577 9.3577 9.4384 9.4384 k = 0.0000 0.5215 0.4178 ( 8824 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4586 -36.4580 -36.4580 -36.1792 -36.1792 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7888 -6.7888 -5.7972 -5.7972 -4.5530 -4.5530 -4.4225 -4.4225 -2.3946 -2.3946 -0.3682 -0.3682 1.0890 1.0890 1.3966 1.3966 2.0400 2.0400 2.3658 2.3658 2.5537 2.5537 2.5925 2.5925 3.6227 3.6227 3.9867 3.9867 4.1794 4.1794 4.5723 4.5723 7.7859 7.7859 7.8382 7.8382 8.4848 8.4848 9.3577 9.3577 9.4384 9.4384 k = 0.0089 0.5095 0.4328 ( 8830 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4586 -36.4581 -36.4580 -36.1792 -36.1792 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7879 -6.7879 -5.7975 -5.7975 -4.5542 -4.5535 -4.4230 -4.4227 -2.3936 -2.3932 -0.3726 -0.3713 1.0862 1.0901 1.3968 1.3968 2.0383 2.0420 2.3445 2.3550 2.5569 2.5605 2.6035 2.6153 3.6239 3.6247 3.9871 3.9881 4.1791 4.1811 4.5721 4.5726 7.7805 7.7812 7.8366 7.8374 8.4834 8.4860 9.3613 9.3635 9.4384 9.4384 k = 0.0179 0.4976 0.4477 ( 8838 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4586 -36.4581 -36.4580 -36.1793 -36.1792 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7855 -6.7854 -5.7984 -5.7983 -4.5571 -4.5559 -4.4240 -4.4235 -2.3902 -2.3893 -0.3844 -0.3820 1.0816 1.0893 1.3972 1.3973 2.0374 2.0446 2.3042 2.3193 2.5685 2.5777 2.6403 2.6604 3.6284 3.6300 3.9892 3.9913 4.1803 4.1842 4.5720 4.5730 7.7653 7.7668 7.8328 7.8343 8.4820 8.4871 9.3722 9.3780 9.4382 9.4396 k = 0.0268 0.4856 0.4626 ( 8836 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4586 -36.4581 -36.4580 -36.1793 -36.1792 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7813 -6.7812 -5.8000 -5.7999 -4.5618 -4.5599 -4.4257 -4.4249 -2.3844 -2.3830 -0.4033 -0.3997 1.0749 1.0861 1.3974 1.3976 2.0383 2.0485 2.2577 2.2738 2.5884 2.6030 2.6894 2.7147 3.6361 3.6384 3.9929 3.9961 4.1831 4.1889 4.5721 4.5735 7.7413 7.7436 7.8267 7.8290 8.4807 8.4884 9.3841 9.3962 9.4409 9.4465 k = 0.0357 0.4737 0.4775 ( 8834 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4586 -36.4581 -36.4580 -36.1792 -36.1792 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7756 -6.7754 -5.8022 -5.8021 -4.5680 -4.5656 -4.4280 -4.4270 -2.3762 -2.3744 -0.4287 -0.4241 1.0656 1.0799 1.3965 1.3969 2.0423 2.0549 2.2117 2.2274 2.6158 2.6350 2.7430 2.7719 3.6468 3.6498 3.9982 4.0027 4.1876 4.1951 4.5721 4.5741 7.7100 7.7131 7.8184 7.8215 8.4798 8.4900 9.3866 9.4041 9.4574 9.4664 k = 0.0446 0.4617 0.4925 ( 8836 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4581 -36.4580 -36.1792 -36.1792 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7682 -6.7680 -5.8052 -5.8050 -4.5756 -4.5726 -4.4310 -4.4296 -2.3656 -2.3634 -0.4598 -0.4545 1.0532 1.0702 1.3934 1.3941 2.0505 2.0645 2.1700 2.1846 2.6495 2.6723 2.7973 2.8292 3.6603 3.6640 4.0050 4.0108 4.1941 4.2030 4.5721 4.5746 7.6731 7.6769 7.8080 7.8118 8.4797 8.4925 9.3771 9.3961 9.4896 9.4984 k = 0.0536 0.4497 0.5074 ( 8842 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4581 -36.4581 -36.1792 -36.1792 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7592 -6.7590 -5.8090 -5.8088 -4.5844 -4.5809 -4.4345 -4.4329 -2.3527 -2.3502 -0.4961 -0.4901 1.0375 1.0567 1.3867 1.3879 2.0634 2.0776 2.1361 2.1483 2.6881 2.7139 2.8503 2.8847 3.6764 3.6806 4.0131 4.0203 4.2027 4.2129 4.5719 4.5750 7.6323 7.6368 7.7956 7.7998 8.4809 8.4961 9.3582 9.3782 9.5279 9.5363 k = 0.0625 0.4378 0.5223 ( 8842 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4581 -36.4581 -36.1792 -36.1792 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7485 -6.7483 -5.8138 -5.8135 -4.5941 -4.5901 -4.4387 -4.4369 -2.3376 -2.3348 -0.5367 -0.5301 1.0183 1.0392 1.3752 1.3768 2.0810 2.0885 2.1181 2.1213 2.7307 2.7587 2.9008 2.9375 3.6948 3.6996 4.0224 4.0311 4.2136 4.2247 4.5716 4.5751 7.5892 7.5945 7.7812 7.7858 8.4837 8.5015 9.3312 9.3521 9.5670 9.5754 k = 0.0714 0.4258 0.5372 ( 8840 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4581 -36.4581 -36.1792 -36.1792 -36.1786 -36.1786 -36.1612 -36.1612 -36.1608 -36.1608 -6.7363 -6.7361 -5.8195 -5.8192 -4.6046 -4.6002 -4.4436 -4.4415 -2.3204 -2.3172 -0.5809 -0.5740 0.9957 1.0180 1.3577 1.3598 2.0832 2.0957 2.1125 2.1313 2.7763 2.8060 2.9478 2.9865 3.7153 3.7205 4.0328 4.0431 4.2270 4.2386 4.5709 4.5750 7.5455 7.5514 7.7649 7.7697 8.4885 8.5088 9.2969 9.3185 9.6026 9.6118 k = 0.0804 0.4139 0.5521 ( 8850 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4581 -36.4581 -36.1792 -36.1792 -36.1787 -36.1786 -36.1612 -36.1612 -36.1609 -36.1609 -6.7226 -6.7223 -5.8264 -5.8260 -4.6155 -4.6107 -4.4491 -4.4467 -2.3010 -2.2976 -0.6280 -0.6208 0.9703 0.9934 1.3336 1.3363 2.0796 2.0936 2.1363 2.1586 2.8240 2.8547 2.9908 3.0312 3.7374 3.7430 4.0442 4.0561 4.2428 4.2547 4.5697 4.5744 7.5022 7.5087 7.7469 7.7516 8.4956 8.5186 9.2564 9.2785 9.6191 9.6265 k = 0.0893 0.4019 0.5671 ( 8848 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4581 -36.4581 -36.1792 -36.1792 -36.1787 -36.1786 -36.1612 -36.1612 -36.1609 -36.1609 -6.7073 -6.7070 -5.8345 -5.8341 -4.6266 -4.6214 -4.4552 -4.4526 -2.2795 -2.2760 -0.6774 -0.6702 0.9425 0.9663 1.3032 1.3065 2.0857 2.0986 2.1681 2.1911 2.8729 2.9042 3.0292 3.0709 3.7612 3.7669 4.0566 4.0700 4.2611 4.2729 4.5681 4.5733 7.4605 7.4675 7.7272 7.7318 8.5053 8.5310 9.2109 9.2333 9.5923 9.5935 k = 0.0982 0.3900 0.5820 ( 8846 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4581 -36.4581 -36.1792 -36.1792 -36.1787 -36.1786 -36.1612 -36.1612 -36.1609 -36.1609 -6.6905 -6.6902 -5.8440 -5.8436 -4.6375 -4.6319 -4.4620 -4.4591 -2.2561 -2.2524 -0.7287 -0.7214 0.9131 0.9372 1.2673 1.2711 2.1016 2.1134 2.2038 2.2273 2.9224 2.9536 3.0626 3.1052 3.7862 3.7921 4.0700 4.0849 4.2814 4.2930 4.5657 4.5715 7.4213 7.4288 7.7060 7.7104 8.5177 8.5464 9.1617 9.1842 9.5581 9.5587 k = 0.1071 0.3780 0.5969 ( 8848 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4581 -36.4581 -36.1792 -36.1792 -36.1787 -36.1786 -36.1612 -36.1612 -36.1609 -36.1609 -6.6723 -6.6720 -5.8549 -5.8545 -4.6480 -4.6421 -4.4694 -4.4662 -2.2308 -2.2271 -0.7813 -0.7741 0.8827 0.9070 1.2270 1.2313 2.1264 2.1374 2.2421 2.2662 2.9715 3.0019 3.0911 3.1338 3.8125 3.8183 4.0844 4.1005 4.3036 4.3146 4.5626 4.5690 7.3851 7.3931 7.6835 7.6875 8.5329 8.5649 9.1101 9.1325 9.5261 9.5278 k = 0.1161 0.3660 0.6118 ( 8854 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4586 -36.4585 -36.4582 -36.4581 -36.1792 -36.1791 -36.1787 -36.1786 -36.1612 -36.1612 -36.1609 -36.1609 -6.6527 -6.6523 -5.8674 -5.8671 -4.6578 -4.6517 -4.4774 -4.4740 -2.2036 -2.1999 -0.8348 -0.8278 0.8520 0.8763 1.1835 1.1885 2.1590 2.1690 2.2825 2.3069 3.0193 3.0479 3.1148 3.1567 3.8401 3.8456 4.0999 4.1170 4.3270 4.3373 4.5587 4.5656 7.3526 7.3610 7.6598 7.6634 8.5508 8.5864 9.0572 9.0796 9.4977 9.5007 k = 0.1250 0.3541 0.6268 ( 8862 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4585 -36.4582 -36.4581 -36.1792 -36.1791 -36.1787 -36.1787 -36.1612 -36.1612 -36.1609 -36.1609 -6.6317 -6.6313 -5.8815 -5.8812 -4.6667 -4.6604 -4.4860 -4.4824 -2.1747 -2.1710 -0.8890 -0.8821 0.8217 0.8459 1.1381 1.1437 2.1980 2.2072 2.3243 2.3488 3.0646 3.0893 3.1349 3.1741 3.8690 3.8741 4.1164 4.1343 4.3511 4.3606 4.5539 4.5614 7.3241 7.3328 7.6351 7.6382 8.5712 8.6109 9.0041 9.0263 9.4725 9.4775 k = 0.1339 0.3421 0.6417 ( 8860 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4585 -36.4582 -36.4581 -36.1792 -36.1791 -36.1787 -36.1787 -36.1612 -36.1612 -36.1609 -36.1609 -6.6094 -6.6090 -5.8974 -5.8971 -4.6744 -4.6679 -4.4952 -4.4914 -2.1441 -2.1405 -0.9435 -0.9369 0.7923 0.8163 1.0918 1.0980 2.2422 2.2507 2.3670 2.3915 3.1062 3.1210 3.1555 3.1861 3.8996 3.9040 4.1341 4.1525 4.3751 4.3837 4.5482 4.5564 7.2998 7.3088 7.6097 7.6121 8.5937 8.6380 8.9517 8.9736 9.4492 9.4574 k = 0.1429 0.3302 0.6566 ( 8866 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4585 -36.4582 -36.4581 -36.1792 -36.1791 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5858 -6.5854 -5.9150 -5.9147 -4.6808 -4.6742 -4.5050 -4.5010 -2.1119 -2.1084 -0.9982 -0.9919 0.7644 0.7881 1.0455 1.0524 2.2906 2.2983 2.4102 2.4344 3.1372 3.1423 3.1815 3.1937 3.9321 3.9355 4.1527 4.1714 4.3983 4.4061 4.5416 4.5504 7.2798 7.2890 7.5836 7.5854 8.6177 8.6671 8.9010 8.9225 9.4251 9.4391 k = 0.1518 0.3182 0.6715 ( 8858 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1791 -36.1791 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5611 -6.5606 -5.9343 -5.9340 -4.6857 -4.6790 -4.5152 -4.5111 -2.0780 -2.0748 -1.0527 -1.0468 0.7383 0.7617 0.9999 1.0075 2.3423 2.3492 2.4535 2.4773 3.1425 3.1692 3.1998 3.2076 3.9668 3.9690 4.1722 4.1909 4.4200 4.4269 4.5342 4.5436 7.2641 7.2735 7.5571 7.5584 8.6419 8.6969 8.8527 8.8736 9.3967 9.4199 k = 0.1607 0.3062 0.6865 ( 8856 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4581 -36.1791 -36.1791 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5352 -6.5348 -5.9553 -5.9551 -4.6891 -4.6824 -4.5259 -4.5216 -2.0427 -2.0397 -1.1071 -1.1015 0.7146 0.7375 0.9556 0.9639 2.3964 2.4023 2.4969 2.5199 3.1415 3.1790 3.2116 3.2285 4.0039 4.0048 4.1925 4.2111 4.4394 4.4455 4.5260 4.5360 7.2524 7.2619 7.5306 7.5312 8.6649 8.7256 8.8075 8.8278 9.3632 9.3976 k = 0.1696 0.2943 0.7014 ( 8866 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4582 -36.4582 -36.1791 -36.1790 -36.1788 -36.1787 -36.1611 -36.1611 -36.1609 -36.1609 -6.5083 -6.5079 -5.9779 -5.9778 -4.6909 -4.6841 -4.5371 -4.5326 -2.0060 -2.0032 -1.1611 -1.1560 0.6934 0.7159 0.9131 0.9221 2.4521 2.4567 2.5401 2.5620 3.1359 3.1751 3.2254 3.2424 4.0429 4.0434 4.2134 4.2317 4.4558 4.4611 4.5170 4.5276 7.2447 7.2542 7.5041 7.5042 8.6842 8.7497 8.7666 8.7858 9.3298 9.3737 k = 0.1786 0.2823 0.7163 ( 8874 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4583 -36.4582 -36.1791 -36.1790 -36.1788 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.4805 -6.4800 -6.0021 -6.0021 -4.6911 -4.6842 -4.5485 -4.5439 -1.9678 -1.9653 -1.2147 -1.2100 0.6752 0.6972 0.8727 0.8824 2.5086 2.5113 2.5833 2.6035 3.1266 3.1654 3.2337 3.2485 4.0830 4.0849 4.2347 4.2525 4.4684 4.4732 4.5075 4.5187 7.2406 7.2500 7.4775 7.4782 8.6967 8.7282 8.7493 8.7679 9.3055 9.3545 k = 0.1875 0.2704 0.7312 ( 8864 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4583 -36.4582 -36.1791 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.4517 -6.4512 -6.0278 -6.0278 -4.6897 -4.6828 -4.5602 -4.5554 -1.9283 -1.9261 -1.2677 -1.2635 0.6602 0.6817 0.8349 0.8452 2.5648 2.5649 2.6268 2.6442 3.1144 3.1520 3.2346 3.2468 4.1249 4.1279 4.2561 4.2735 4.4761 4.4808 4.4979 4.5094 7.2397 7.2491 7.4515 7.4528 8.6953 8.6961 8.7235 8.7737 9.2975 9.3466 k = 0.1964 0.2584 0.7461 ( 8876 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4583 -36.4582 -36.1791 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.4222 -6.4217 -6.0548 -6.0547 -4.6867 -4.6798 -4.5721 -4.5672 -1.8876 -1.8857 -1.3202 -1.3164 0.6485 0.6695 0.7999 0.8109 2.6158 2.6198 2.6708 2.6840 3.1000 3.1361 3.2281 3.2375 4.1679 4.1718 4.2776 4.2944 4.4766 4.4827 4.4902 4.5005 7.2419 7.2510 7.4263 7.4284 8.6692 8.6759 8.7124 8.7672 9.3092 9.3538 k = 0.2054 0.2465 0.7611 ( 8872 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4585 -36.4584 -36.4583 -36.4582 -36.1791 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.3920 -6.3916 -6.0830 -6.0829 -4.6823 -4.6754 -4.5841 -4.5791 -1.8456 -1.8441 -1.3720 -1.3687 0.6402 0.6608 0.7679 0.7795 2.6623 2.6720 2.7155 2.7230 3.0845 3.1188 3.2149 3.2213 4.2110 4.2155 4.2988 4.3150 4.4682 4.4777 4.4856 4.4930 7.2468 7.2555 7.4023 7.4051 8.6482 8.6544 8.7013 8.7503 9.3397 9.3764 k = 0.2143 0.2345 0.7760 ( 8866 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4582 -36.1791 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.3613 -6.3609 -6.1122 -6.1120 -4.6766 -4.6696 -4.5959 -4.5909 -1.8024 -1.8014 -1.4230 -1.4202 0.6356 0.6557 0.7392 0.7514 2.7036 2.7195 2.7596 2.7610 3.0696 3.1014 3.1958 3.1991 4.2533 4.2583 4.3198 4.3353 4.4561 4.4675 4.4787 4.4847 7.2540 7.2623 7.3795 7.3831 8.6334 8.6372 8.6864 8.7271 9.3854 9.4128 k = 0.2232 0.2225 0.7909 ( 8876 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4582 -36.1790 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.3301 -6.3297 -6.1422 -6.1420 -4.6697 -4.6626 -4.6076 -4.6026 -1.7582 -1.7576 -1.4734 -1.4710 0.6346 0.6543 0.7141 0.7267 2.7392 2.7599 2.7971 2.7998 3.0578 3.0858 3.1721 3.1725 4.2939 4.2990 4.3402 4.3550 4.4422 4.4549 4.4673 4.4729 7.2634 7.2712 7.3581 7.3625 8.6250 8.6255 8.6696 8.7016 9.4420 9.4600 k = 0.2321 0.2106 0.8058 ( 8872 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1790 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.2987 -6.2983 -6.1728 -6.1726 -4.6619 -4.6545 -4.6188 -4.6140 -1.7129 -1.7127 -1.5228 -1.5210 0.6370 0.6567 0.6929 0.7056 2.7685 2.7916 2.8280 2.8314 3.0532 3.0748 3.1420 3.1474 4.3316 4.3366 4.3603 4.3742 4.4271 4.4409 4.4510 4.4567 7.2749 7.2820 7.3382 7.3435 8.6192 8.6231 8.6535 8.6772 9.5057 9.5147 k = 0.2411 0.1986 0.8208 ( 8864 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1790 -36.1789 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.2671 -6.2667 -6.2040 -6.2037 -4.6537 -4.6455 -4.6291 -4.6251 -1.6670 -1.6668 -1.5713 -1.5699 0.6420 0.6626 0.6765 0.6884 2.7890 2.8129 2.8488 2.8502 3.0598 3.0710 3.1118 3.1251 4.3647 4.3689 4.3804 4.3930 4.4108 4.4262 4.4303 4.4364 7.2881 7.2942 7.3199 7.3263 8.6180 8.6275 8.6406 8.6562 9.5719 9.5721 k = 0.2500 0.1867 0.8357 ( 8856 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1790 -36.1789 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.2364 -6.2364 -6.2345 -6.2338 -4.6484 -4.6362 -4.6350 -4.6350 -1.6266 -1.6266 -1.6126 -1.6110 0.6458 0.6689 0.6689 0.6782 2.7967 2.8206 2.8559 2.8559 3.0717 3.0717 3.0916 3.1148 4.3863 4.3863 4.3941 4.3995 4.4117 4.4117 4.4129 4.4191 7.3021 7.3042 7.3042 7.3146 8.6188 8.6350 8.6350 8.6431 9.6078 9.6182 k = 0.2500 0.1867 0.8357 ( 8856 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1790 -36.1789 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.2364 -6.2364 -6.2345 -6.2338 -4.6484 -4.6362 -4.6350 -4.6350 -1.6266 -1.6266 -1.6126 -1.6110 0.6458 0.6689 0.6689 0.6782 2.7967 2.8206 2.8559 2.8559 3.0717 3.0717 3.0916 3.1148 4.3863 4.3863 4.3941 4.3995 4.4117 4.4117 4.4129 4.4191 7.3021 7.3042 7.3042 7.3146 8.6188 8.6350 8.6350 8.6431 9.6078 9.6182 k = 0.2632 0.1965 0.8234 ( 8862 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1790 -36.1789 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.2530 -6.2527 -6.2179 -6.2176 -4.6505 -4.6415 -4.6324 -4.6298 -1.6474 -1.6473 -1.5920 -1.5908 0.6463 0.6679 0.6732 0.6839 2.7833 2.8039 2.8324 2.8467 3.0721 3.0761 3.1220 3.1320 4.3710 4.3758 4.3909 4.3947 4.4087 4.4250 4.4268 4.4308 7.2905 7.2954 7.3116 7.3182 8.6200 8.6322 8.6393 8.6513 9.5837 9.5885 k = 0.2763 0.2063 0.8112 ( 8872 PWs) bands (ev): -69.5146 -69.5146 -69.5146 -69.5146 -36.4584 -36.4583 -36.4583 -36.4582 -36.1790 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.2690 -6.2687 -6.2022 -6.2019 -4.6544 -4.6468 -4.6275 -4.6240 -1.6727 -1.6725 -1.5675 -1.5662 0.6495 0.6700 0.6839 0.6955 2.7451 2.7541 2.8005 2.8142 3.0787 3.0805 3.1799 3.1828 4.3521 4.3567 4.3792 4.3835 4.4238 4.4403 4.4451 4.4493 7.2712 7.2765 7.3176 7.3226 8.6235 8.6310 8.6520 8.6685 9.5391 9.5403 k = 0.2895 0.2162 0.7989 ( 8870 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1790 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.2833 -6.2830 -6.1883 -6.1881 -4.6585 -4.6516 -4.6221 -4.6185 -1.6964 -1.6958 -1.5446 -1.5431 0.6569 0.6769 0.6993 0.7111 2.6890 2.6892 2.7627 2.7738 3.0898 3.0915 3.2379 3.2471 4.3338 4.3384 4.3683 4.3726 4.4389 4.4542 4.4655 4.4709 7.2457 7.2511 7.3216 7.3253 8.6299 8.6336 8.6721 8.6923 9.4925 9.4927 k = 0.3026 0.2260 0.7866 ( 8876 PWs) bands (ev): -69.5146 -69.5146 -69.5146 -69.5146 -36.4584 -36.4584 -36.4583 -36.4582 -36.1790 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.2960 -6.2956 -6.1764 -6.1762 -4.6622 -4.6558 -4.6169 -4.6135 -1.7177 -1.7167 -1.5237 -1.5219 0.6687 0.6885 0.7185 0.7302 2.6192 2.6243 2.7180 2.7282 3.1050 3.1068 3.2942 3.3070 4.3168 4.3214 4.3580 4.3622 4.4523 4.4663 4.4887 4.4956 7.2154 7.2206 7.3236 7.3263 8.6397 8.6401 8.6984 8.7217 9.4484 9.4485 k = 0.3158 0.2358 0.7744 ( 8874 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4582 -36.1790 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.3069 -6.3065 -6.1665 -6.1664 -4.6655 -4.6594 -4.6122 -4.6090 -1.7359 -1.7345 -1.5049 -1.5028 0.6846 0.7043 0.7413 0.7524 2.5481 2.5558 2.6686 2.6785 3.1228 3.1244 3.3441 3.3592 4.3012 4.3058 4.3482 4.3523 4.4639 4.4767 4.5152 4.5234 7.1818 7.1868 7.3240 7.3256 8.6503 8.6529 8.7297 8.7558 9.4080 9.4081 k = 0.3289 0.2456 0.7621 ( 8868 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4582 -36.1790 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.3161 -6.3156 -6.1586 -6.1586 -4.6683 -4.6625 -4.6082 -4.6054 -1.7505 -1.7486 -1.4884 -1.4860 0.7042 0.7239 0.7672 0.7776 2.4774 2.4866 2.6161 2.6260 3.1417 3.1426 3.3853 3.4021 4.2868 4.2914 4.3387 4.3428 4.4735 4.4853 4.5447 4.5539 7.1469 7.1517 7.3229 7.3236 8.6639 8.6691 8.7649 8.7937 9.3717 9.3718 k = 0.3421 0.2555 0.7498 ( 8870 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4582 -36.1790 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.3235 -6.3230 -6.1530 -6.1529 -4.6705 -4.6650 -4.6051 -4.6028 -1.7610 -1.7586 -1.4742 -1.4715 0.7270 0.7469 0.7959 0.8054 2.4082 2.4183 2.5620 2.5720 3.1605 3.1605 3.4171 3.4352 4.2737 4.2782 4.3296 4.3337 4.4813 4.4924 4.5763 4.5862 7.1128 7.1173 7.3205 7.3206 8.6807 8.6883 8.8030 8.8342 9.3400 9.3400 k = 0.3553 0.2653 0.7376 ( 8865 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4582 -36.1790 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.3290 -6.3285 -6.1496 -6.1494 -4.6721 -4.6668 -4.6031 -4.6013 -1.7670 -1.7641 -1.4625 -1.4594 0.7526 0.7726 0.8269 0.8352 2.3416 2.3519 2.5073 2.5173 3.1774 3.1786 3.4392 3.4582 4.2616 4.2659 4.3207 4.3250 4.4876 4.4978 4.6085 4.6187 7.0814 7.0858 7.3166 7.3176 8.7003 8.7101 8.8424 8.8761 9.3126 9.3127 k = 0.3684 0.2751 0.7253 ( 8866 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4582 -36.1790 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.3327 -6.3321 -6.1484 -6.1481 -4.6730 -4.6679 -4.6023 -4.6009 -1.7681 -1.7648 -1.4533 -1.4498 0.7804 0.8005 0.8596 0.8666 2.2786 2.2887 2.4529 2.4630 3.1926 3.1952 3.4520 3.4718 4.2507 4.2547 4.3121 4.3166 4.4924 4.5019 4.6392 4.6497 7.0550 7.0593 7.3123 7.3138 8.7223 8.7341 8.8819 8.9180 9.2899 9.2899 k = 0.3816 0.2849 0.7131 ( 8865 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4582 -36.1790 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.3345 -6.3339 -6.1494 -6.1491 -4.6733 -4.6684 -4.6026 -4.6018 -1.7641 -1.7603 -1.4467 -1.4427 0.8098 0.8301 0.8934 0.8988 2.2200 2.2296 2.3997 2.4098 3.2058 3.2101 3.4562 3.4765 4.2409 4.2446 4.3038 4.3085 4.4961 4.5048 4.6663 4.6767 7.0355 7.0398 7.3076 7.3097 8.7461 8.7598 8.9194 8.9581 9.2716 9.2718 k = 0.3947 0.2948 0.7008 ( 8855 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4582 -36.1790 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.3344 -6.3338 -6.1528 -6.1523 -4.6730 -4.6683 -4.6041 -4.6038 -1.7550 -1.7507 -1.4427 -1.4383 0.8402 0.8607 0.9274 0.9309 2.1670 2.1756 2.3483 2.3584 3.2167 3.2227 3.4525 3.4732 4.2323 4.2356 4.2956 4.3005 4.4989 4.5068 4.6875 4.6978 7.0246 7.0289 7.3027 7.3053 8.7711 8.7867 8.9526 8.9941 9.2576 9.2581 k = 0.4079 0.3046 0.6885 ( 8854 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4582 -36.1790 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.3324 -6.3317 -6.1585 -6.1579 -4.6720 -4.6674 -4.6070 -4.6067 -1.7405 -1.7358 -1.4413 -1.4365 0.8712 0.8917 0.9607 0.9618 2.1207 2.1279 2.2993 2.3094 3.2252 3.2330 3.4418 3.4627 4.2250 4.2279 4.2874 4.2924 4.5015 4.5083 4.7008 4.7109 7.0237 7.0281 7.2979 7.3009 8.7965 8.8138 8.9785 9.0227 9.2475 9.2485 k = 0.4211 0.3144 0.6763 ( 8852 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4582 -36.1790 -36.1790 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.3285 -6.3277 -6.1665 -6.1659 -4.6703 -4.6659 -4.6111 -4.6103 -1.7209 -1.7157 -1.4426 -1.4373 0.9020 0.9227 0.9905 0.9920 2.0823 2.0878 2.2534 2.2634 3.2312 3.2408 3.4247 3.4458 4.2190 4.2214 4.2790 4.2840 4.5042 4.5099 4.7050 4.7146 7.0336 7.0379 7.2932 7.2965 8.8210 8.8400 8.9940 9.0396 9.2407 9.2419 k = 0.4342 0.3242 0.6640 ( 8854 PWs) bands (ev): -69.5146 -69.5146 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4582 -36.1790 -36.1790 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.3226 -6.3218 -6.1769 -6.1761 -4.6679 -4.6637 -4.6160 -4.6147 -1.6963 -1.6906 -1.4466 -1.4409 0.9322 0.9529 1.0158 1.0201 2.0529 2.0564 2.2110 2.2209 3.2347 3.2461 3.4021 3.4231 4.2143 4.2162 4.2701 4.2748 4.5076 4.5121 4.6993 4.7083 7.0542 7.0586 7.2888 7.2923 8.8431 8.8636 8.9965 9.0414 9.2374 9.2378 k = 0.4474 0.3341 0.6518 ( 8854 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.3147 -6.3139 -6.1896 -6.1888 -4.6649 -4.6609 -4.6214 -4.6197 -1.6668 -1.6607 -1.4534 -1.4473 0.9614 0.9819 1.0365 1.0439 2.0338 2.0349 2.1726 2.1823 3.2359 3.2490 3.3745 3.3953 4.2106 4.2121 4.2603 4.2646 4.5123 4.5153 4.6838 4.6921 7.0848 7.0892 7.2846 7.2883 8.8609 8.8825 8.9863 9.0277 9.2374 9.2389 k = 0.4605 0.3439 0.6395 ( 8850 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.3049 -6.3040 -6.2046 -6.2038 -4.6612 -4.6574 -4.6272 -4.6250 -1.6329 -1.6264 -1.4630 -1.4564 0.9889 1.0092 1.0518 1.0623 2.0242 2.0255 2.1387 2.1480 3.2349 3.2496 3.3426 3.3630 4.2075 4.2085 4.2496 4.2532 4.5187 4.5203 4.6592 4.6666 7.1240 7.1285 7.2807 7.2845 8.8720 8.8934 8.9663 9.0020 9.2421 9.2457 k = 0.4737 0.3537 0.6272 ( 8849 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2930 -6.2921 -6.2220 -6.2210 -4.6570 -4.6535 -4.6329 -4.6304 -1.5950 -1.5881 -1.4753 -1.4684 1.0147 1.0343 1.0615 1.0747 2.0247 2.0282 2.1095 2.1182 3.2319 3.2478 3.3071 3.3267 4.2040 4.2046 4.2380 4.2408 4.5271 4.5272 4.6272 4.6333 7.1698 7.1742 7.2772 7.2811 8.8738 8.8915 8.9421 8.9688 9.2520 9.2568 k = 0.4868 0.3635 0.6150 ( 8854 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2792 -6.2782 -6.2416 -6.2406 -4.6524 -4.6495 -4.6377 -4.6354 -1.5534 -1.5462 -1.4904 -1.4831 1.0384 1.0548 1.0679 1.0813 2.0356 2.0407 2.0860 2.0936 3.2270 3.2424 3.2700 3.2873 4.1985 4.1988 4.2264 4.2278 4.5360 4.5373 4.5902 4.5947 7.2194 7.2236 7.2740 7.2779 8.8639 8.8724 8.9193 8.9321 9.2660 9.2698 k = 0.5000 0.3734 0.6027 ( 8856 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2639 -6.2639 -6.2619 -6.2619 -4.6484 -4.6484 -4.6388 -4.6388 -1.5099 -1.5099 -1.4997 -1.4997 1.0595 1.0595 1.0829 1.0829 2.0516 2.0516 2.0786 2.0786 3.2189 3.2189 3.2466 3.2466 4.1888 4.1888 4.2153 4.2153 4.5418 4.5418 4.5587 4.5587 7.2678 7.2678 7.2771 7.2771 8.8411 8.8411 8.8947 8.8947 9.2812 9.2812 k = 0.5000 0.3734 0.6027 ( 8856 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2639 -6.2639 -6.2619 -6.2619 -4.6484 -4.6484 -4.6388 -4.6388 -1.5099 -1.5099 -1.4997 -1.4997 1.0595 1.0595 1.0829 1.0829 2.0516 2.0516 2.0786 2.0786 3.2189 3.2189 3.2466 3.2466 4.1888 4.1888 4.2153 4.2153 4.5418 4.5418 4.5587 4.5587 7.2678 7.2678 7.2771 7.2771 8.8411 8.8411 8.8947 8.8947 9.2812 9.2812 k = 0.5000 0.3734 0.5819 ( 8854 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2694 -6.2694 -6.2672 -6.2672 -4.6473 -4.6473 -4.6375 -4.6375 -1.4875 -1.4875 -1.4767 -1.4767 1.0750 1.0750 1.0995 1.0995 2.0589 2.0589 2.0867 2.0867 3.1769 3.1769 3.2052 3.2052 4.1669 4.1669 4.1946 4.1946 4.5181 4.5181 4.5357 4.5357 7.3060 7.3060 7.3152 7.3152 8.7847 8.7847 8.8356 8.8356 9.2986 9.2986 k = 0.5000 0.3734 0.5611 ( 8858 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2754 -6.2754 -6.2731 -6.2731 -4.6451 -4.6451 -4.6354 -4.6354 -1.4656 -1.4656 -1.4542 -1.4542 1.0922 1.0922 1.1179 1.1179 2.0664 2.0664 2.0952 2.0952 3.1364 3.1364 3.1651 3.1651 4.1432 4.1432 4.1719 4.1719 4.4952 4.4952 4.5134 4.5134 7.3398 7.3398 7.3487 7.3487 8.7238 8.7238 8.7715 8.7715 9.3069 9.3069 k = 0.5000 0.3734 0.5404 ( 8854 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2819 -6.2819 -6.2795 -6.2795 -4.6419 -4.6419 -4.6321 -4.6321 -1.4446 -1.4446 -1.4326 -1.4326 1.1113 1.1113 1.1380 1.1380 2.0741 2.0741 2.1040 2.1040 3.0981 3.0981 3.1271 3.1271 4.1179 4.1179 4.1472 4.1472 4.4735 4.4735 4.4920 4.4920 7.3676 7.3676 7.3762 7.3762 8.6605 8.6605 8.7048 8.7048 9.3032 9.3032 k = 0.5000 0.3734 0.5196 ( 8854 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2889 -6.2889 -6.2865 -6.2865 -4.6375 -4.6375 -4.6277 -4.6277 -1.4249 -1.4249 -1.4126 -1.4126 1.1324 1.1324 1.1599 1.1599 2.0819 2.0819 2.1129 2.1129 3.0624 3.0624 3.0916 3.0916 4.0910 4.0910 4.1207 4.1207 4.4535 4.4535 4.4719 4.4719 7.3877 7.3877 7.3960 7.3960 8.5961 8.5961 8.6371 8.6371 9.2876 9.2876 k = 0.5000 0.3734 0.4988 ( 8838 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2963 -6.2963 -6.2939 -6.2939 -4.6319 -4.6319 -4.6221 -4.6221 -1.4071 -1.4071 -1.3944 -1.3944 1.1555 1.1555 1.1838 1.1838 2.0897 2.0897 2.1219 2.1219 3.0298 3.0298 3.0590 3.0590 4.0627 4.0627 4.0924 4.0924 4.4352 4.4352 4.4535 4.4535 7.3988 7.3988 7.4069 7.4069 8.5313 8.5313 8.5690 8.5690 9.2624 9.2624 k = 0.5000 0.3734 0.4780 ( 8834 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.3043 -6.3043 -6.3018 -6.3018 -4.6250 -4.6250 -4.6153 -4.6153 -1.3915 -1.3915 -1.3785 -1.3785 1.1808 1.1808 1.2096 1.2096 2.0976 2.0976 2.1309 2.1309 3.0007 3.0007 3.0298 3.0298 4.0332 4.0332 4.0627 4.0627 4.4190 4.4190 4.4368 4.4368 7.3998 7.3998 7.4080 7.4080 8.4662 8.4662 8.5007 8.5007 9.2314 9.2314 k = 0.5000 0.3734 0.4572 ( 8836 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.3126 -6.3126 -6.3101 -6.3101 -4.6169 -4.6169 -4.6072 -4.6072 -1.3783 -1.3783 -1.3651 -1.3651 1.2082 1.2082 1.2374 1.2374 2.1054 2.1054 2.1400 2.1400 2.9752 2.9752 3.0042 3.0042 4.0027 4.0027 4.0316 4.0316 4.4049 4.4049 4.4219 4.4219 7.3904 7.3904 7.3988 7.3988 8.4002 8.4002 8.4317 8.4317 9.1985 9.1985 k = 0.5000 0.3734 0.4364 ( 8836 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.3213 -6.3213 -6.3188 -6.3188 -4.6075 -4.6075 -4.5979 -4.5979 -1.3680 -1.3680 -1.3547 -1.3547 1.2380 1.2380 1.2673 1.2673 2.1132 2.1132 2.1490 2.1490 2.9536 2.9536 2.9823 2.9823 3.9713 3.9713 3.9995 3.9995 4.3930 4.3930 4.4091 4.4091 7.3710 7.3710 7.3798 7.3798 8.3328 8.3328 8.3614 8.3614 9.1668 9.1668 k = 0.5000 0.3734 0.4157 ( 8848 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.3302 -6.3302 -6.3278 -6.3278 -4.5969 -4.5969 -4.5874 -4.5874 -1.3606 -1.3606 -1.3472 -1.3472 1.2700 1.2700 1.2992 1.2992 2.1210 2.1210 2.1579 2.1579 2.9358 2.9358 2.9642 2.9642 3.9394 3.9394 3.9667 3.9667 4.3832 4.3832 4.3983 4.3983 7.3424 7.3424 7.3518 7.3518 8.2632 8.2632 8.2891 8.2891 9.1381 9.1381 k = 0.5000 0.3734 0.3949 ( 8844 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.3394 -6.3394 -6.3370 -6.3370 -4.5851 -4.5851 -4.5758 -4.5758 -1.3562 -1.3562 -1.3430 -1.3430 1.3041 1.3041 1.3330 1.3330 2.1288 2.1288 2.1668 2.1668 2.9219 2.9219 2.9500 2.9500 3.9072 3.9072 3.9334 3.9334 4.3754 4.3754 4.3895 4.3895 7.3062 7.3062 7.3160 7.3160 8.1911 8.1911 8.2145 8.2145 9.1131 9.1131 k = 0.5000 0.3734 0.3741 ( 8842 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.3487 -6.3487 -6.3464 -6.3464 -4.5722 -4.5722 -4.5631 -4.5631 -1.3550 -1.3550 -1.3419 -1.3419 1.3404 1.3404 1.3687 1.3687 2.1366 2.1366 2.1754 2.1754 2.9118 2.9118 2.9395 2.9395 3.8748 3.8748 3.8998 3.8998 4.3697 4.3697 4.3826 4.3826 7.2639 7.2639 7.2740 7.2740 8.1163 8.1163 8.1375 8.1375 9.0914 9.0914 k = 0.5000 0.3734 0.3533 ( 8834 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.3581 -6.3581 -6.3558 -6.3558 -4.5584 -4.5584 -4.5495 -4.5495 -1.3567 -1.3567 -1.3440 -1.3440 1.3785 1.3785 1.4060 1.4060 2.1443 2.1443 2.1839 2.1839 2.9054 2.9054 2.9326 2.9326 3.8424 3.8424 3.8661 3.8661 4.3660 4.3660 4.3778 4.3778 7.2173 7.2173 7.2275 7.2275 8.0393 8.0393 8.0585 8.0585 9.0723 9.0723 k = 0.5000 0.3734 0.3325 ( 8830 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.3674 -6.3674 -6.3653 -6.3653 -4.5437 -4.5437 -4.5352 -4.5352 -1.3614 -1.3614 -1.3490 -1.3490 1.4182 1.4182 1.4448 1.4448 2.1520 2.1520 2.1921 2.1921 2.9025 2.9025 2.9293 2.9293 3.8101 3.8101 3.8325 3.8325 4.3640 4.3640 4.3747 4.3747 7.1681 7.1681 7.1782 7.1782 7.9606 7.9606 7.9779 7.9779 9.0547 9.0547 k = 0.5000 0.3734 0.3117 ( 8822 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.3767 -6.3767 -6.3746 -6.3746 -4.5284 -4.5284 -4.5202 -4.5202 -1.3687 -1.3687 -1.3567 -1.3567 1.4594 1.4594 1.4848 1.4848 2.1595 2.1595 2.1999 2.1999 2.9029 2.9029 2.9292 2.9292 3.7781 3.7781 3.7990 3.7990 4.3639 4.3639 4.3735 4.3735 7.1176 7.1176 7.1274 7.1274 7.8807 7.8807 7.8964 7.8964 9.0374 9.0374 k = 0.5000 0.3734 0.2910 ( 8822 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.3858 -6.3858 -6.3838 -6.3838 -4.5126 -4.5126 -4.5047 -4.5047 -1.3783 -1.3783 -1.3669 -1.3669 1.5015 1.5015 1.5256 1.5256 2.1668 2.1668 2.2074 2.2074 2.9066 2.9066 2.9323 2.9323 3.7465 3.7465 3.7659 3.7659 4.3653 4.3653 4.3739 4.3739 7.0672 7.0672 7.0766 7.0766 7.8006 7.8006 7.8148 7.8148 9.0197 9.0197 k = 0.5000 0.3734 0.2702 ( 8836 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.3947 -6.3947 -6.3928 -6.3928 -4.4965 -4.4965 -4.4889 -4.4889 -1.3900 -1.3900 -1.3791 -1.3791 1.5442 1.5442 1.5669 1.5669 2.1738 2.1738 2.2142 2.2142 2.9132 2.9132 2.9383 2.9383 3.7153 3.7153 3.7332 3.7332 4.3682 4.3682 4.3758 4.3758 7.0181 7.0181 7.0268 7.0268 7.7208 7.7208 7.7338 7.7338 9.0009 9.0009 k = 0.5000 0.3734 0.2494 ( 8828 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4032 -6.4032 -6.4014 -6.4014 -4.4803 -4.4803 -4.4731 -4.4731 -1.4032 -1.4032 -1.3930 -1.3930 1.5870 1.5870 1.6082 1.6082 2.1804 2.1804 2.2203 2.2203 2.9226 2.9226 2.9470 2.9470 3.6845 3.6845 3.7008 3.7008 4.3723 4.3723 4.3790 4.3790 6.9712 6.9712 6.9792 6.9792 7.6422 7.6422 7.6540 7.6540 8.9807 8.9807 k = 0.5000 0.3734 0.2286 ( 8820 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4113 -6.4113 -6.4097 -6.4097 -4.4642 -4.4642 -4.4575 -4.4575 -1.4176 -1.4176 -1.4080 -1.4080 1.6294 1.6294 1.6492 1.6492 2.1864 2.1864 2.2256 2.2256 2.9346 2.9346 2.9582 2.9582 3.6543 3.6543 3.6690 3.6690 4.3775 4.3775 4.3833 4.3833 6.9273 6.9273 6.9345 6.9345 7.5652 7.5652 7.5760 7.5760 8.9589 8.9589 k = 0.5000 0.3734 0.2078 ( 8820 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4190 -6.4190 -6.4175 -6.4175 -4.4484 -4.4484 -4.4422 -4.4422 -1.4327 -1.4327 -1.4239 -1.4239 1.6710 1.6710 1.6894 1.6894 2.1917 2.1917 2.2299 2.2299 2.9490 2.9490 2.9716 2.9716 3.6246 3.6246 3.6378 3.6378 4.3835 4.3835 4.3886 4.3886 6.8872 6.8872 6.8936 6.8936 7.4906 7.4906 7.5005 7.5005 8.9356 8.9356 k = 0.5000 0.3734 0.1870 ( 8824 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4261 -6.4261 -6.4247 -6.4247 -4.4332 -4.4332 -4.4274 -4.4274 -1.4480 -1.4480 -1.4400 -1.4400 1.7111 1.7111 1.7282 1.7282 2.1962 2.1962 2.2331 2.2331 2.9655 2.9655 2.9871 2.9871 3.5956 3.5956 3.6072 3.6072 4.3901 4.3901 4.3945 4.3945 6.8514 6.8514 6.8569 6.8569 7.4190 7.4190 7.4280 7.4280 8.9110 8.9110 k = 0.5000 0.3734 0.1663 ( 8830 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4326 -6.4326 -6.4314 -6.4314 -4.4188 -4.4188 -4.4135 -4.4135 -1.4632 -1.4632 -1.4559 -1.4559 1.7494 1.7494 1.7653 1.7653 2.1998 2.1998 2.2351 2.2351 2.9838 2.9838 3.0042 3.0042 3.5672 3.5672 3.5773 3.5773 4.3971 4.3971 4.4008 4.4008 6.8205 6.8205 6.8250 6.8250 7.3510 7.3510 7.3592 7.3592 8.8857 8.8857 k = 0.5000 0.3734 0.1455 ( 8818 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4385 -6.4385 -6.4375 -6.4375 -4.4054 -4.4054 -4.4007 -4.4007 -1.4777 -1.4777 -1.4713 -1.4713 1.7853 1.7853 1.8000 1.8000 2.2025 2.2025 2.2357 2.2357 3.0035 3.0035 3.0226 3.0226 3.5397 3.5397 3.5484 3.5484 4.4040 4.4040 4.4072 4.4072 6.7946 6.7946 6.7983 6.7983 7.2873 7.2873 7.2947 7.2947 8.8604 8.8604 k = 0.5000 0.3734 0.1247 ( 8798 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4437 -6.4437 -6.4428 -6.4428 -4.3932 -4.3932 -4.3891 -4.3891 -1.4911 -1.4911 -1.4856 -1.4856 1.8182 1.8182 1.8318 1.8318 2.2045 2.2045 2.2350 2.2350 3.0242 3.0242 3.0418 3.0418 3.5132 3.5132 3.5207 3.5207 4.4108 4.4108 4.4134 4.4134 6.7739 6.7739 6.7768 6.7768 7.2285 7.2285 7.2352 7.2352 8.8358 8.8358 k = 0.5000 0.3734 0.1039 ( 8804 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4482 -6.4482 -6.4474 -6.4474 -4.3824 -4.3824 -4.3790 -4.3790 -1.5031 -1.5031 -1.4984 -1.4984 1.8478 1.8478 1.8602 1.8602 2.2059 2.2059 2.2331 2.2331 3.0452 3.0452 3.0609 3.0609 3.4882 3.4882 3.4945 3.4945 4.4170 4.4170 4.4191 4.4191 6.7583 6.7583 6.7604 6.7604 7.1757 7.1757 7.1815 7.1815 8.8129 8.8129 k = 0.5000 0.3734 0.0831 ( 8806 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4518 -6.4518 -6.4512 -6.4512 -4.3732 -4.3732 -4.3705 -4.3705 -1.5134 -1.5134 -1.5096 -1.5096 1.8734 1.8734 1.8843 1.8843 2.2069 2.2069 2.2302 2.2302 3.0656 3.0656 3.0792 3.0792 3.4653 3.4653 3.4706 3.4706 4.4225 4.4225 4.4242 4.4242 6.7474 6.7474 6.7489 6.7489 7.1298 7.1298 7.1347 7.1347 8.7928 8.7928 k = 0.5000 0.3734 0.0623 ( 8808 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4547 -6.4547 -6.4542 -6.4542 -4.3659 -4.3659 -4.3638 -4.3638 -1.5215 -1.5215 -1.5187 -1.5187 1.8946 1.8946 1.9036 1.9036 2.2079 2.2079 2.2264 2.2264 3.0844 3.0844 3.0955 3.0955 3.4453 3.4453 3.4497 3.4497 4.4271 4.4271 4.4283 4.4283 6.7406 6.7406 6.7416 6.7416 7.0919 7.0919 7.0959 7.0959 8.7764 8.7764 k = 0.5000 0.3734 0.0416 ( 8804 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4568 -6.4568 -6.4564 -6.4564 -4.3604 -4.3604 -4.3590 -4.3590 -1.5274 -1.5274 -1.5254 -1.5254 1.9109 1.9109 1.9173 1.9173 2.2094 2.2094 2.2223 2.2223 3.1003 3.1003 3.1082 3.1082 3.4298 3.4298 3.4330 3.4330 4.4305 4.4305 4.4314 4.4314 6.7370 6.7370 6.7376 6.7376 7.0636 7.0636 7.0664 7.0664 8.7644 8.7644 k = 0.5000 0.3734 0.0208 ( 8828 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4580 -6.4580 -6.4578 -6.4578 -4.3569 -4.3569 -4.3562 -4.3562 -1.5307 -1.5307 -1.5298 -1.5298 1.9217 1.9217 1.9250 1.9250 2.2115 2.2115 2.2181 2.2181 3.1117 3.1117 3.1158 3.1158 3.4200 3.4200 3.4217 3.4217 4.4327 4.4327 4.4331 4.4331 6.7355 6.7355 6.7358 6.7358 7.0462 7.0462 7.0476 7.0476 8.7575 8.7575 k = 0.5000 0.3734 0.0000 ( 8828 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4583 -36.4583 -36.4583 -36.4583 -36.1789 -36.1789 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.4583 -6.4583 -6.4583 -6.4583 -4.3555 -4.3555 -4.3555 -4.3555 -1.5316 -1.5316 -1.5316 -1.5316 1.9265 1.9265 1.9265 1.9265 2.2144 2.2144 2.2144 2.2144 3.1171 3.1171 3.1171 3.1171 3.4171 3.4171 3.4171 3.4171 4.4336 4.4336 4.4336 4.4336 6.7352 6.7352 6.7352 6.7352 7.0407 7.0407 7.0407 7.0407 8.7562 8.7562 k = 0.0000 0.0000 0.8357 ( 8874 PWs) bands (ev): -69.5146 -69.5146 -69.5146 -69.5146 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2364 -6.2364 -6.2359 -6.2359 -4.6377 -4.6377 -4.6290 -4.6290 -1.6689 -1.6689 -1.6657 -1.6657 0.9830 0.9830 0.9962 0.9962 2.0055 2.0055 2.0283 2.0283 3.5507 3.5507 3.5671 3.5671 4.3103 4.3103 4.3235 4.3235 4.7175 4.7175 4.7230 4.7230 6.9443 6.9443 6.9518 6.9518 8.8111 8.8111 8.8269 8.8269 9.2939 9.2939 k = 0.0167 0.0124 0.8357 ( 8870 PWs) bands (ev): -69.5146 -69.5146 -69.5146 -69.5146 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2365 -6.2363 -6.2361 -6.2358 -4.6384 -4.6372 -4.6292 -4.6289 -1.6692 -1.6677 -1.6660 -1.6645 0.9765 0.9797 0.9902 0.9924 2.0128 2.0136 2.0340 2.0379 3.5480 3.5486 3.5640 3.5656 4.3098 4.3111 4.3234 4.3239 4.7134 4.7153 4.7198 4.7199 6.9480 6.9483 6.9555 6.9558 8.8098 8.8104 8.8250 8.8260 9.2943 9.2954 k = 0.0333 0.0249 0.8357 ( 8878 PWs) bands (ev): -69.5146 -69.5146 -69.5146 -69.5146 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2366 -6.2362 -6.2362 -6.2356 -4.6391 -4.6367 -4.6295 -4.6289 -1.6684 -1.6654 -1.6652 -1.6623 0.9607 0.9669 0.9751 0.9793 2.0349 2.0364 2.0544 2.0620 3.5405 3.5419 3.5562 3.5594 4.3098 4.3124 4.3238 4.3247 4.7032 4.7069 4.7105 4.7108 6.9592 6.9596 6.9666 6.9672 8.8064 8.8076 8.8203 8.8222 9.2968 9.2989 k = 0.0500 0.0373 0.8357 ( 8868 PWs) bands (ev): -69.5146 -69.5146 -69.5146 -69.5146 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2366 -6.2363 -6.2360 -6.2355 -4.6400 -4.6364 -4.6300 -4.6291 -1.6666 -1.6636 -1.6622 -1.6592 0.9371 0.9462 0.9524 0.9583 2.0704 2.0723 2.0883 2.0992 3.5282 3.5304 3.5438 3.5485 4.3102 4.3141 4.3246 4.3260 4.6873 4.6928 4.6957 4.6961 6.9773 6.9779 6.9846 6.9856 8.8008 8.8025 8.8126 8.8156 9.3016 9.3047 k = 0.0667 0.0498 0.8357 ( 8870 PWs) bands (ev): -69.5146 -69.5146 -69.5146 -69.5146 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2367 -6.2363 -6.2358 -6.2353 -4.6409 -4.6361 -4.6306 -4.6294 -1.6640 -1.6610 -1.6582 -1.6553 0.9078 0.9193 0.9240 0.9312 2.1174 2.1193 2.1336 2.1475 3.5109 3.5139 3.5266 3.5325 4.3112 4.3163 4.3260 4.3278 4.6666 4.6739 4.6760 4.6766 7.0015 7.0023 7.0088 7.0102 8.7926 8.7949 8.8018 8.8058 9.3093 9.3131 k = 0.0833 0.0622 0.8357 ( 8858 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.2367 -6.2364 -6.2357 -6.2351 -4.6418 -4.6360 -4.6312 -4.6297 -1.6606 -1.6578 -1.6535 -1.6507 0.8749 0.8886 0.8920 0.9002 2.1738 2.1752 2.1882 2.2048 3.4883 3.4924 3.5044 3.5114 4.3128 4.3190 4.3280 4.3301 4.6421 4.6511 4.6524 4.6533 7.0309 7.0318 7.0380 7.0399 8.7818 8.7847 8.7878 8.7930 9.3203 9.3248 k = 0.1000 0.0747 0.8357 ( 8864 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.2367 -6.2364 -6.2355 -6.2349 -4.6428 -4.6359 -4.6319 -4.6302 -1.6567 -1.6540 -1.6482 -1.6456 0.8403 0.8558 0.8583 0.8671 2.2376 2.2382 2.2502 2.2692 3.4604 3.4657 3.4771 3.4849 4.3150 4.3224 4.3306 4.3330 4.6148 4.6255 4.6260 4.6272 7.0642 7.0652 7.0711 7.0736 8.7682 8.7707 8.7718 8.7773 9.3351 9.3400 k = 0.1167 0.0871 0.8357 ( 8868 PWs) bands (ev): -69.5146 -69.5146 -69.5146 -69.5146 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.2367 -6.2364 -6.2353 -6.2347 -4.6438 -4.6358 -4.6326 -4.6308 -1.6523 -1.6499 -1.6427 -1.6402 0.8055 0.8227 0.8246 0.8337 2.3063 2.3069 2.3178 2.3390 3.4271 3.4337 3.4447 3.4529 4.3181 4.3264 4.3341 4.3366 4.5859 4.5980 4.5982 4.5995 7.1000 7.1011 7.1067 7.1099 8.7511 8.7521 8.7562 8.7589 9.3540 9.3593 k = 0.1333 0.0996 0.8357 ( 8880 PWs) bands (ev): -69.5146 -69.5146 -69.5146 -69.5146 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1610 -36.1610 -36.1610 -36.1610 -6.2367 -6.2364 -6.2352 -6.2345 -4.6447 -4.6358 -4.6333 -4.6313 -1.6477 -1.6455 -1.6370 -1.6347 0.7721 0.7906 0.7920 0.8014 2.3781 2.3803 2.3892 2.4126 3.3882 3.3964 3.4073 3.4152 4.3221 4.3314 4.3384 4.3411 4.5565 4.5692 4.5702 4.5712 7.1371 7.1380 7.1433 7.1473 8.7294 8.7338 8.7386 8.7387 9.3772 9.3827 k = 0.1500 0.1120 0.8357 ( 8882 PWs) bands (ev): -69.5146 -69.5146 -69.5146 -69.5146 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.2366 -6.2364 -6.2350 -6.2344 -4.6456 -4.6358 -4.6340 -4.6320 -1.6431 -1.6412 -1.6315 -1.6293 0.7411 0.7608 0.7618 0.7712 2.4519 2.4565 2.4632 2.4888 3.3439 3.3540 3.3649 3.3720 4.3271 4.3373 4.3438 4.3465 4.5275 4.5408 4.5425 4.5431 7.1737 7.1745 7.1794 7.1843 8.7068 8.7143 8.7174 8.7197 9.4045 9.4103 k = 0.1667 0.1245 0.8357 ( 8888 PWs) bands (ev): -69.5146 -69.5146 -69.5146 -69.5146 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1611 -36.1611 -36.1610 -36.1610 -6.2366 -6.2364 -6.2348 -6.2342 -4.6464 -4.6358 -4.6346 -4.6326 -1.6388 -1.6371 -1.6263 -1.6243 0.7134 0.7342 0.7349 0.7443 2.5264 2.5340 2.5382 2.5662 3.2947 3.3069 3.3183 3.3236 4.3334 4.3443 4.3504 4.3530 4.4996 4.5133 4.5157 4.5160 7.2085 7.2090 7.2136 7.2194 8.6843 8.6945 8.6962 8.7005 9.4359 9.4420 k = 0.1833 0.1369 0.8357 ( 8896 PWs) bands (ev): -69.5146 -69.5146 -69.5146 -69.5146 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1789 -36.1611 -36.1611 -36.1610 -36.1610 -6.2365 -6.2364 -6.2347 -6.2341 -4.6471 -4.6358 -4.6352 -4.6332 -1.6348 -1.6335 -1.6217 -1.6198 0.6898 0.7114 0.7119 0.7213 2.5998 2.6117 2.6126 2.6434 3.2413 3.2561 3.2685 3.2704 4.3411 4.3526 4.3583 4.3607 4.4735 4.4874 4.4905 4.4906 7.2399 7.2400 7.2442 7.2510 8.6632 8.6757 8.6764 8.6823 9.4708 9.4774 k = 0.2000 0.1493 0.8357 ( 8886 PWs) bands (ev): -69.5146 -69.5146 -69.5146 -69.5146 -36.4584 -36.4584 -36.4583 -36.4583 -36.1790 -36.1790 -36.1789 -36.1788 -36.1611 -36.1611 -36.1610 -36.1610 -6.2365 -6.2364 -6.2346 -6.2340 -4.6477 -4.6357 -4.6356 -4.6337 -1.6315 -1.6305 -1.6178 -1.6161 0.6709 0.6931 0.6935 0.7028 2.6697 2.6843 2.6879 2.7183 3.1851 3.2032 3.2138 3.2173 4.3502 4.3623 4.3676 4.3698 4.4496 4.4635 4.4669 4.4674 7.2660 7.2663 7.2697 7.2776 8.6450 8.6591 8.6593 8.6663 9.5087 9.5161 k = 0.2167 0.1618 0.8357 ( 8866 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1790 -36.1789 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.2365 -6.2364 -6.2345 -6.2339 -4.6481 -4.6359 -4.6355 -4.6342 -1.6289 -1.6283 -1.6150 -1.6133 0.6570 0.6797 0.6800 0.6893 2.7319 2.7495 2.7598 2.7873 3.1297 3.1517 3.1561 3.1687 4.3610 4.3734 4.3782 4.3803 4.4284 4.4420 4.4456 4.4467 7.2856 7.2866 7.2889 7.2977 8.6308 8.6461 8.6462 8.6538 9.5484 9.5576 k = 0.2333 0.1742 0.8357 ( 8856 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1790 -36.1789 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.2365 -6.2364 -6.2345 -6.2338 -4.6483 -4.6362 -4.6353 -4.6347 -1.6273 -1.6270 -1.6132 -1.6116 0.6486 0.6716 0.6717 0.6810 2.7785 2.8000 2.8214 2.8407 3.0844 3.1032 3.1094 3.1303 4.3734 4.3856 4.3887 4.3918 4.4114 4.4235 4.4268 4.4290 7.2979 7.2994 7.3006 7.3103 8.6219 8.6378 8.6379 8.6459 9.5865 9.5971 k = 0.2500 0.1867 0.8357 ( 8856 PWs) bands (ev): -69.5145 -69.5145 -69.5145 -69.5145 -36.4584 -36.4583 -36.4583 -36.4582 -36.1790 -36.1789 -36.1789 -36.1788 -36.1610 -36.1610 -36.1610 -36.1610 -6.2364 -6.2364 -6.2345 -6.2338 -4.6484 -4.6362 -4.6350 -4.6350 -1.6266 -1.6266 -1.6126 -1.6110 0.6458 0.6689 0.6689 0.6782 2.7967 2.8206 2.8559 2.8559 3.0717 3.0717 3.0916 3.1148 4.3863 4.3863 4.3941 4.3995 4.4117 4.4117 4.4129 4.4191 7.3021 7.3042 7.3042 7.3146 8.6188 8.6350 8.6350 8.6431 9.6078 9.6182 Writing output data file MgGeP2.save init_run : 3.03s CPU 13.70s WALL ( 1 calls) electrons : 1316.13s CPU 1325.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.42s CPU 1.52s WALL ( 1 calls) Called by electrons: c_bands : 1316.10s CPU 1325.64s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.96s WALL ( 1 calls) v_h : 0.01s CPU 0.06s WALL ( 1 calls) v_xc : 0.12s CPU 0.66s WALL ( 1 calls) newd : 0.70s CPU 0.83s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.15s WALL ( 278 calls) cegterg : 1252.40s CPU 1259.00s WALL ( 827 calls) Called by sum_band: Called by *egterg: h_psi : 698.06s CPU 708.21s WALL ( 14498 calls) s_psi : 61.23s CPU 61.42s WALL ( 14498 calls) g_psi : 1.67s CPU 1.64s WALL ( 13393 calls) cdiaghg : 332.15s CPU 329.01s WALL ( 13671 calls) cegterg:over : 94.42s CPU 91.63s WALL ( 13393 calls) cegterg:upda : 32.42s CPU 36.79s WALL ( 13393 calls) cegterg:last : 24.86s CPU 25.67s WALL ( 2071 calls) Called by h_psi: h_psi:vloc : 571.01s CPU 578.52s WALL ( 14498 calls) h_psi:vnl : 126.20s CPU 127.84s WALL ( 14498 calls) add_vuspsi : 48.23s CPU 52.94s WALL ( 14498 calls) General routines calbec : 77.90s CPU 74.72s WALL ( 14498 calls) fft : 0.40s CPU 1.11s WALL ( 19 calls) ffts : 0.01s CPU 0.06s WALL ( 4 calls) fftw : 528.76s CPU 533.91s WALL ( 1404552 calls) interpolate : 0.14s CPU 0.19s WALL ( 4 calls) davcio : 0.03s CPU 1.62s WALL ( 556 calls) Parallel routines fft_scatter : 248.88s CPU 249.54s WALL ( 1404575 calls) PWSCF : 23m 9.93s CPU 25m32.35s WALL This run was terminated on: 6:29:54 19Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=