Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:22:11 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./SrSi2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 89 60 17 1838 1002 161 Max 90 61 18 1840 1018 163 Sum 3237 2171 641 66207 36303 5821 bravais-lattice index = 14 lattice parameter (alat) = 14.3501 a.u. unit-cell volume = 919.1011 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.350120 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.829222 celldm(5)= -0.829222 celldm(6)= 0.658445 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.658445 0.752629 0.000000 ) a(3) = ( -0.829222 -0.376315 0.413253 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.874859 1.209914 ) b(2) = ( 0.000000 1.328675 1.209914 ) b(3) = ( 0.000000 0.000000 2.419827 ) PseudoPot. # 1 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 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 1141 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 PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 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 1221 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 Si 4.00 28.08550 Si( 1.00) Sr 10.00 87.62000 Sr( 1.00) No symmetry found (note: 3 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 313 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0000000 0.0000000 0.0237238), wk = 0.0031949 k( 3) = ( 0.0000000 0.0000000 0.0474476), wk = 0.0031949 k( 4) = ( 0.0000000 0.0000000 0.0711714), wk = 0.0031949 k( 5) = ( 0.0000000 0.0000000 0.0948952), wk = 0.0031949 k( 6) = ( 0.0000000 0.0000000 0.1186190), wk = 0.0031949 k( 7) = ( 0.0000000 0.0000000 0.1423428), wk = 0.0031949 k( 8) = ( 0.0000000 0.0000000 0.1660666), wk = 0.0031949 k( 9) = ( 0.0000000 0.0000000 0.1897904), wk = 0.0031949 k( 10) = ( 0.0000000 0.0000000 0.2135142), wk = 0.0031949 k( 11) = ( 0.0000000 0.0000000 0.2372380), wk = 0.0031949 k( 12) = ( 0.0000000 0.0000000 0.2609618), wk = 0.0031949 k( 13) = ( 0.0000000 0.0000000 0.2846856), wk = 0.0031949 k( 14) = ( 0.0000000 0.0000000 0.3084094), wk = 0.0031949 k( 15) = ( 0.0000000 0.0000000 0.3321332), wk = 0.0031949 k( 16) = ( 0.0000000 0.0000000 0.3558570), wk = 0.0031949 k( 17) = ( 0.0000000 0.0000000 0.3795808), wk = 0.0031949 k( 18) = ( 0.0000000 0.0000000 0.4033046), wk = 0.0031949 k( 19) = ( 0.0000000 0.0000000 0.4270284), wk = 0.0031949 k( 20) = ( 0.0000000 0.0000000 0.4507522), wk = 0.0031949 k( 21) = ( 0.0000000 0.0000000 0.4744760), wk = 0.0031949 k( 22) = ( 0.0000000 0.0000000 0.4981998), wk = 0.0031949 k( 23) = ( 0.0000000 0.0000000 0.5219236), wk = 0.0031949 k( 24) = ( 0.0000000 0.0000000 0.5456474), wk = 0.0031949 k( 25) = ( 0.0000000 0.0000000 0.5693712), wk = 0.0031949 k( 26) = ( 0.0000000 0.0000000 0.5930950), wk = 0.0031949 k( 27) = ( 0.0000000 0.0000000 0.6168188), wk = 0.0031949 k( 28) = ( 0.0000000 0.0000000 0.6405426), wk = 0.0031949 k( 29) = ( 0.0000000 0.0000000 0.6642664), wk = 0.0031949 k( 30) = ( 0.0000000 0.0000000 0.6879902), wk = 0.0031949 k( 31) = ( 0.0000000 0.0000000 0.7117140), wk = 0.0031949 k( 32) = ( 0.0000000 0.0000000 0.7354378), wk = 0.0031949 k( 33) = ( 0.0000000 0.0000000 0.7591616), wk = 0.0031949 k( 34) = ( 0.0000000 0.0000000 0.7828854), wk = 0.0031949 k( 35) = ( 0.0000000 0.0000000 0.8066091), wk = 0.0031949 k( 36) = ( 0.0000000 0.0000000 0.8303329), wk = 0.0031949 k( 37) = ( 0.0000000 0.0000000 0.8540568), wk = 0.0031949 k( 38) = ( 0.0000000 0.0000000 0.8777806), wk = 0.0031949 k( 39) = ( 0.0000000 0.0000000 0.9015044), wk = 0.0031949 k( 40) = ( 0.0000000 0.0000000 0.9252281), wk = 0.0031949 k( 41) = ( 0.0000000 0.0000000 0.9489519), wk = 0.0031949 k( 42) = ( 0.0000000 0.0000000 0.9726757), wk = 0.0031949 k( 43) = ( 0.0000000 0.0000000 0.9963996), wk = 0.0031949 k( 44) = ( 0.0000000 0.0000000 1.0201233), wk = 0.0031949 k( 45) = ( 0.0000000 0.0000000 1.0438471), wk = 0.0031949 k( 46) = ( 0.0000000 0.0000000 1.0675709), wk = 0.0031949 k( 47) = ( 0.0000000 0.0000000 1.0912947), wk = 0.0031949 k( 48) = ( 0.0000000 0.0000000 1.1150185), wk = 0.0031949 k( 49) = ( 0.0000000 0.0000000 1.1387423), wk = 0.0031949 k( 50) = ( 0.0000000 0.0000000 1.1624661), wk = 0.0031949 k( 51) = ( 0.0000000 0.0000000 1.1861899), wk = 0.0031949 k( 52) = ( 0.0000000 0.0000000 1.2099137), wk = 0.0031949 k( 53) = ( 0.0000000 0.0000000 1.2099137), wk = 0.0031949 k( 54) = ( -0.0085812 0.0189090 1.2099137), wk = 0.0031949 k( 55) = ( -0.0171624 0.0378180 1.2099137), wk = 0.0031949 k( 56) = ( -0.0257437 0.0567270 1.2099137), wk = 0.0031949 k( 57) = ( -0.0343249 0.0756361 1.2099137), wk = 0.0031949 k( 58) = ( -0.0429061 0.0945451 1.2099137), wk = 0.0031949 k( 59) = ( -0.0514873 0.1134541 1.2099137), wk = 0.0031949 k( 60) = ( -0.0514873 0.1134541 1.2099137), wk = 0.0031949 k( 61) = ( -0.0584953 0.1288965 1.1929556), wk = 0.0031949 k( 62) = ( -0.0655033 0.1443389 1.1759974), wk = 0.0031949 k( 63) = ( -0.0725114 0.1597813 1.1590392), wk = 0.0031949 k( 64) = ( -0.0795194 0.1752237 1.1420810), wk = 0.0031949 k( 65) = ( -0.0865274 0.1906661 1.1251229), wk = 0.0031949 k( 66) = ( -0.0935354 0.2061085 1.1081647), wk = 0.0031949 k( 67) = ( -0.1005434 0.2215508 1.0912065), wk = 0.0031949 k( 68) = ( -0.1075514 0.2369932 1.0742483), wk = 0.0031949 k( 69) = ( -0.1145594 0.2524356 1.0572901), wk = 0.0031949 k( 70) = ( -0.1215674 0.2678780 1.0403320), wk = 0.0031949 k( 71) = ( -0.1285754 0.2833204 1.0233738), wk = 0.0031949 k( 72) = ( -0.1355834 0.2987628 1.0064156), wk = 0.0031949 k( 73) = ( -0.1425915 0.3142052 0.9894574), wk = 0.0031949 k( 74) = ( -0.1495995 0.3296476 0.9724993), wk = 0.0031949 k( 75) = ( -0.1566075 0.3450900 0.9555411), wk = 0.0031949 k( 76) = ( -0.1636155 0.3605324 0.9385829), wk = 0.0031949 k( 77) = ( -0.1706235 0.3759748 0.9216247), wk = 0.0031949 k( 78) = ( -0.1776315 0.3914172 0.9046666), wk = 0.0031949 k( 79) = ( -0.1846395 0.4068596 0.8877084), wk = 0.0031949 k( 80) = ( -0.1916475 0.4223020 0.8707502), wk = 0.0031949 k( 81) = ( -0.1986555 0.4377444 0.8537920), wk = 0.0031949 k( 82) = ( -0.2056636 0.4531868 0.8368338), wk = 0.0031949 k( 83) = ( -0.2126716 0.4686292 0.8198757), wk = 0.0031949 k( 84) = ( -0.2196796 0.4840715 0.8029175), wk = 0.0031949 k( 85) = ( -0.2266876 0.4995139 0.7859593), wk = 0.0031949 k( 86) = ( -0.2336956 0.5149563 0.7690011), wk = 0.0031949 k( 87) = ( -0.2407036 0.5303987 0.7520430), wk = 0.0031949 k( 88) = ( -0.2477116 0.5458411 0.7350848), wk = 0.0031949 k( 89) = ( -0.2547196 0.5612835 0.7181266), wk = 0.0031949 k( 90) = ( -0.2617276 0.5767259 0.7011684), wk = 0.0031949 k( 91) = ( -0.2687356 0.5921683 0.6842103), wk = 0.0031949 k( 92) = ( -0.2757437 0.6076107 0.6672521), wk = 0.0031949 k( 93) = ( -0.2757437 0.6076107 0.6672521), wk = 0.0031949 k( 94) = ( -0.2688501 0.5924204 0.6505708), wk = 0.0031949 k( 95) = ( -0.2619565 0.5772302 0.6338895), wk = 0.0031949 k( 96) = ( -0.2550629 0.5620399 0.6172082), wk = 0.0031949 k( 97) = ( -0.2481693 0.5468496 0.6005269), wk = 0.0031949 k( 98) = ( -0.2412757 0.5316594 0.5838456), wk = 0.0031949 k( 99) = ( -0.2343821 0.5164691 0.5671643), wk = 0.0031949 k( 100) = ( -0.2274885 0.5012788 0.5504830), wk = 0.0031949 k( 101) = ( -0.2205949 0.4860886 0.5338017), wk = 0.0031949 k( 102) = ( -0.2137013 0.4708983 0.5171203), wk = 0.0031949 k( 103) = ( -0.2068077 0.4557080 0.5004390), wk = 0.0031949 k( 104) = ( -0.1999142 0.4405178 0.4837578), wk = 0.0031949 k( 105) = ( -0.1930206 0.4253275 0.4670765), wk = 0.0031949 k( 106) = ( -0.1861270 0.4101372 0.4503952), wk = 0.0031949 k( 107) = ( -0.1792334 0.3949470 0.4337139), wk = 0.0031949 k( 108) = ( -0.1723398 0.3797567 0.4170326), wk = 0.0031949 k( 109) = ( -0.1654462 0.3645664 0.4003512), wk = 0.0031949 k( 110) = ( -0.1585526 0.3493761 0.3836699), wk = 0.0031949 k( 111) = ( -0.1516590 0.3341859 0.3669886), wk = 0.0031949 k( 112) = ( -0.1447654 0.3189956 0.3503073), wk = 0.0031949 k( 113) = ( -0.1378718 0.3038054 0.3336260), wk = 0.0031949 k( 114) = ( -0.1309782 0.2886151 0.3169447), wk = 0.0031949 k( 115) = ( -0.1240847 0.2734248 0.3002634), wk = 0.0031949 k( 116) = ( -0.1171911 0.2582345 0.2835821), wk = 0.0031949 k( 117) = ( -0.1102975 0.2430443 0.2669008), wk = 0.0031949 k( 118) = ( -0.1034039 0.2278540 0.2502195), wk = 0.0031949 k( 119) = ( -0.0965103 0.2126637 0.2335382), wk = 0.0031949 k( 120) = ( -0.0896167 0.1974735 0.2168569), wk = 0.0031949 k( 121) = ( -0.0827231 0.1822832 0.2001756), wk = 0.0031949 k( 122) = ( -0.0758295 0.1670930 0.1834943), wk = 0.0031949 k( 123) = ( -0.0689359 0.1519027 0.1668130), wk = 0.0031949 k( 124) = ( -0.0620423 0.1367124 0.1501317), wk = 0.0031949 k( 125) = ( -0.0551487 0.1215221 0.1334504), wk = 0.0031949 k( 126) = ( -0.0482551 0.1063319 0.1167691), wk = 0.0031949 k( 127) = ( -0.0413615 0.0911416 0.1000878), wk = 0.0031949 k( 128) = ( -0.0344680 0.0759513 0.0834065), wk = 0.0031949 k( 129) = ( -0.0275744 0.0607611 0.0667252), wk = 0.0031949 k( 130) = ( -0.0206808 0.0455708 0.0500439), wk = 0.0031949 k( 131) = ( -0.0137872 0.0303805 0.0333626), wk = 0.0031949 k( 132) = ( -0.0068936 0.0151903 0.0166813), wk = 0.0031949 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 135) = ( 0.0217391 0.0098656 0.0000000), wk = 0.0031949 k( 136) = ( 0.0434783 0.0197311 0.0000000), wk = 0.0031949 k( 137) = ( 0.0652174 0.0295967 -0.0000000), wk = 0.0031949 k( 138) = ( 0.0869565 0.0394623 0.0000000), wk = 0.0031949 k( 139) = ( 0.1086957 0.0493279 0.0000000), wk = 0.0031949 k( 140) = ( 0.1304348 0.0591934 -0.0000000), wk = 0.0031949 k( 141) = ( 0.1521739 0.0690590 0.0000000), wk = 0.0031949 k( 142) = ( 0.1739130 0.0789246 0.0000000), wk = 0.0031949 k( 143) = ( 0.1956522 0.0887901 0.0000000), wk = 0.0031949 k( 144) = ( 0.2173913 0.0986557 0.0000000), wk = 0.0031949 k( 145) = ( 0.2391304 0.1085213 -0.0000000), wk = 0.0031949 k( 146) = ( 0.2608696 0.1183869 0.0000000), wk = 0.0031949 k( 147) = ( 0.2826087 0.1282524 -0.0000000), wk = 0.0031949 k( 148) = ( 0.3043478 0.1381180 -0.0000000), wk = 0.0031949 k( 149) = ( 0.3260870 0.1479836 -0.0000000), wk = 0.0031949 k( 150) = ( 0.3478261 0.1578492 0.0000000), wk = 0.0031949 k( 151) = ( 0.3695652 0.1677147 0.0000000), wk = 0.0031949 k( 152) = ( 0.3913044 0.1775803 0.0000000), wk = 0.0031949 k( 153) = ( 0.4130435 0.1874459 0.0000000), wk = 0.0031949 k( 154) = ( 0.4347826 0.1973114 -0.0000000), wk = 0.0031949 k( 155) = ( 0.4565217 0.2071770 -0.0000000), wk = 0.0031949 k( 156) = ( 0.4782609 0.2170426 -0.0000000), wk = 0.0031949 k( 157) = ( 0.5000000 0.2269082 0.0000000), wk = 0.0031949 k( 158) = ( 0.5000000 0.2269082 0.0000000), wk = 0.0031949 k( 159) = ( 0.4929920 0.2423506 0.0169582), wk = 0.0031949 k( 160) = ( 0.4859840 0.2577929 0.0339164), wk = 0.0031949 k( 161) = ( 0.4789760 0.2732353 0.0508745), wk = 0.0031949 k( 162) = ( 0.4719680 0.2886777 0.0678327), wk = 0.0031949 k( 163) = ( 0.4649600 0.3041201 0.0847909), wk = 0.0031949 k( 164) = ( 0.4579519 0.3195625 0.1017491), wk = 0.0031949 k( 165) = ( 0.4509439 0.3350049 0.1187072), wk = 0.0031949 k( 166) = ( 0.4439359 0.3504473 0.1356654), wk = 0.0031949 k( 167) = ( 0.4369279 0.3658897 0.1526236), wk = 0.0031949 k( 168) = ( 0.4299199 0.3813321 0.1695818), wk = 0.0031949 k( 169) = ( 0.4229119 0.3967745 0.1865400), wk = 0.0031949 k( 170) = ( 0.4159039 0.4122169 0.2034981), wk = 0.0031949 k( 171) = ( 0.4088959 0.4276593 0.2204563), wk = 0.0031949 k( 172) = ( 0.4018878 0.4431017 0.2374145), wk = 0.0031949 k( 173) = ( 0.3948798 0.4585441 0.2543727), wk = 0.0031949 k( 174) = ( 0.3878718 0.4739865 0.2713308), wk = 0.0031949 k( 175) = ( 0.3808638 0.4894289 0.2882890), wk = 0.0031949 k( 176) = ( 0.3738558 0.5048713 0.3052472), wk = 0.0031949 k( 177) = ( 0.3668478 0.5203136 0.3222054), wk = 0.0031949 k( 178) = ( 0.3598398 0.5357560 0.3391635), wk = 0.0031949 k( 179) = ( 0.3528318 0.5511984 0.3561217), wk = 0.0031949 k( 180) = ( 0.3458238 0.5666409 0.3730799), wk = 0.0031949 k( 181) = ( 0.3388158 0.5820832 0.3900381), wk = 0.0031949 k( 182) = ( 0.3318077 0.5975256 0.4069963), wk = 0.0031949 k( 183) = ( 0.3247997 0.6129680 0.4239544), wk = 0.0031949 k( 184) = ( 0.3177917 0.6284104 0.4409126), wk = 0.0031949 k( 185) = ( 0.3107837 0.6438528 0.4578708), wk = 0.0031949 k( 186) = ( 0.3037757 0.6592952 0.4748290), wk = 0.0031949 k( 187) = ( 0.2967677 0.6747376 0.4917871), wk = 0.0031949 k( 188) = ( 0.2897597 0.6901800 0.5087453), wk = 0.0031949 k( 189) = ( 0.2827517 0.7056224 0.5257035), wk = 0.0031949 k( 190) = ( 0.2757437 0.7210648 0.5426617), wk = 0.0031949 k( 191) = ( 0.2757437 0.7210648 0.5426617), wk = 0.0031949 k( 192) = ( 0.2527650 0.7163375 0.5478529), wk = 0.0031949 k( 193) = ( 0.2297864 0.7116103 0.5530442), wk = 0.0031949 k( 194) = ( 0.2068077 0.7068830 0.5582355), wk = 0.0031949 k( 195) = ( 0.1838291 0.7021558 0.5634267), wk = 0.0031949 k( 196) = ( 0.1608505 0.6974285 0.5686180), wk = 0.0031949 k( 197) = ( 0.1378718 0.6927013 0.5738093), wk = 0.0031949 k( 198) = ( 0.1148932 0.6879740 0.5790005), wk = 0.0031949 k( 199) = ( 0.0919145 0.6832468 0.5841918), wk = 0.0031949 k( 200) = ( 0.0689359 0.6785195 0.5893831), wk = 0.0031949 k( 201) = ( 0.0459573 0.6737923 0.5945743), wk = 0.0031949 k( 202) = ( 0.0229786 0.6690650 0.5997656), wk = 0.0031949 k( 203) = ( 0.0000000 0.6643377 0.6049569), wk = 0.0031949 k( 204) = ( 0.0000000 0.6643377 0.6049569), wk = 0.0031949 k( 205) = ( 0.0069444 0.6490354 0.6217612), wk = 0.0031949 k( 206) = ( 0.0138889 0.6337331 0.6385656), wk = 0.0031949 k( 207) = ( 0.0208333 0.6184308 0.6553699), wk = 0.0031949 k( 208) = ( 0.0277778 0.6031284 0.6721743), wk = 0.0031949 k( 209) = ( 0.0347222 0.5878261 0.6889786), wk = 0.0031949 k( 210) = ( 0.0416667 0.5725238 0.7057830), wk = 0.0031949 k( 211) = ( 0.0486111 0.5572215 0.7225874), wk = 0.0031949 k( 212) = ( 0.0555556 0.5419191 0.7393917), wk = 0.0031949 k( 213) = ( 0.0625000 0.5266168 0.7561961), wk = 0.0031949 k( 214) = ( 0.0694444 0.5113145 0.7730004), wk = 0.0031949 k( 215) = ( 0.0763889 0.4960122 0.7898048), wk = 0.0031949 k( 216) = ( 0.0833333 0.4807099 0.8066091), wk = 0.0031949 k( 217) = ( 0.0902778 0.4654075 0.8234135), wk = 0.0031949 k( 218) = ( 0.0972222 0.4501052 0.8402179), wk = 0.0031949 k( 219) = ( 0.1041667 0.4348029 0.8570222), wk = 0.0031949 k( 220) = ( 0.1111111 0.4195006 0.8738266), wk = 0.0031949 k( 221) = ( 0.1180556 0.4041982 0.8906310), wk = 0.0031949 k( 222) = ( 0.1250000 0.3888959 0.9074353), wk = 0.0031949 k( 223) = ( 0.1319444 0.3735936 0.9242396), wk = 0.0031949 k( 224) = ( 0.1388889 0.3582913 0.9410440), wk = 0.0031949 k( 225) = ( 0.1458333 0.3429889 0.9578484), wk = 0.0031949 k( 226) = ( 0.1527778 0.3276866 0.9746527), wk = 0.0031949 k( 227) = ( 0.1597222 0.3123843 0.9914571), wk = 0.0031949 k( 228) = ( 0.1666667 0.2970820 1.0082615), wk = 0.0031949 k( 229) = ( 0.1736111 0.2817796 1.0250658), wk = 0.0031949 k( 230) = ( 0.1805556 0.2664773 1.0418702), wk = 0.0031949 k( 231) = ( 0.1875000 0.2511750 1.0586745), wk = 0.0031949 k( 232) = ( 0.1944444 0.2358727 1.0754789), wk = 0.0031949 k( 233) = ( 0.2013889 0.2205703 1.0922832), wk = 0.0031949 k( 234) = ( 0.2083333 0.2052680 1.1090876), wk = 0.0031949 k( 235) = ( 0.2152778 0.1899657 1.1258920), wk = 0.0031949 k( 236) = ( 0.2222222 0.1746634 1.1426963), wk = 0.0031949 k( 237) = ( 0.2291667 0.1593610 1.1595007), wk = 0.0031949 k( 238) = ( 0.2361111 0.1440587 1.1763050), wk = 0.0031949 k( 239) = ( 0.2430556 0.1287564 1.1931094), wk = 0.0031949 k( 240) = ( 0.2500000 0.1134541 1.2099137), wk = 0.0031949 k( 241) = ( 0.2500000 0.1134541 1.2099137), wk = 0.0031949 k( 242) = ( 0.2692308 0.1221813 1.2003299), wk = 0.0031949 k( 243) = ( 0.2884615 0.1309086 1.1907460), wk = 0.0031949 k( 244) = ( 0.3076923 0.1396358 1.1811621), wk = 0.0031949 k( 245) = ( 0.3269231 0.1483630 1.1715782), wk = 0.0031949 k( 246) = ( 0.3461538 0.1570903 1.1619943), wk = 0.0031949 k( 247) = ( 0.3653846 0.1658175 1.1524105), wk = 0.0031949 k( 248) = ( 0.3846154 0.1745447 1.1428266), wk = 0.0031949 k( 249) = ( 0.4038462 0.1832720 1.1332427), wk = 0.0031949 k( 250) = ( 0.4230769 0.1919992 1.1236588), wk = 0.0031949 k( 251) = ( 0.4423077 0.2007265 1.1140749), wk = 0.0031949 k( 252) = ( 0.4615385 0.2094537 1.1044911), wk = 0.0031949 k( 253) = ( 0.4807692 0.2181809 1.0949072), wk = 0.0031949 k( 254) = ( 0.5000000 0.2269082 1.0853233), wk = 0.0031949 k( 255) = ( 0.5000000 0.2269082 1.0853233), wk = 0.0031949 k( 256) = ( 0.5000000 0.2269082 1.0612050), wk = 0.0031949 k( 257) = ( 0.5000000 0.2269082 1.0370867), wk = 0.0031949 k( 258) = ( 0.5000000 0.2269082 1.0129684), wk = 0.0031949 k( 259) = ( 0.5000000 0.2269082 0.9888501), wk = 0.0031949 k( 260) = ( 0.5000000 0.2269082 0.9647318), wk = 0.0031949 k( 261) = ( 0.5000000 0.2269082 0.9406135), wk = 0.0031949 k( 262) = ( 0.5000000 0.2269082 0.9164953), wk = 0.0031949 k( 263) = ( 0.5000000 0.2269082 0.8923770), wk = 0.0031949 k( 264) = ( 0.5000000 0.2269082 0.8682587), wk = 0.0031949 k( 265) = ( 0.5000000 0.2269082 0.8441404), wk = 0.0031949 k( 266) = ( 0.5000000 0.2269082 0.8200221), wk = 0.0031949 k( 267) = ( 0.5000000 0.2269082 0.7959038), wk = 0.0031949 k( 268) = ( 0.5000000 0.2269082 0.7717855), wk = 0.0031949 k( 269) = ( 0.5000000 0.2269082 0.7476672), wk = 0.0031949 k( 270) = ( 0.5000000 0.2269082 0.7235489), wk = 0.0031949 k( 271) = ( 0.5000000 0.2269082 0.6994306), wk = 0.0031949 k( 272) = ( 0.5000000 0.2269082 0.6753123), wk = 0.0031949 k( 273) = ( 0.5000000 0.2269082 0.6511940), wk = 0.0031949 k( 274) = ( 0.5000000 0.2269082 0.6270757), wk = 0.0031949 k( 275) = ( 0.5000000 0.2269082 0.6029574), wk = 0.0031949 k( 276) = ( 0.5000000 0.2269082 0.5788391), wk = 0.0031949 k( 277) = ( 0.5000000 0.2269082 0.5547208), wk = 0.0031949 k( 278) = ( 0.5000000 0.2269082 0.5306025), wk = 0.0031949 k( 279) = ( 0.5000000 0.2269082 0.5064842), wk = 0.0031949 k( 280) = ( 0.5000000 0.2269082 0.4823659), wk = 0.0031949 k( 281) = ( 0.5000000 0.2269082 0.4582476), wk = 0.0031949 k( 282) = ( 0.5000000 0.2269082 0.4341293), wk = 0.0031949 k( 283) = ( 0.5000000 0.2269082 0.4100110), wk = 0.0031949 k( 284) = ( 0.5000000 0.2269082 0.3858927), wk = 0.0031949 k( 285) = ( 0.5000000 0.2269082 0.3617744), wk = 0.0031949 k( 286) = ( 0.5000000 0.2269082 0.3376561), wk = 0.0031949 k( 287) = ( 0.5000000 0.2269082 0.3135378), wk = 0.0031949 k( 288) = ( 0.5000000 0.2269082 0.2894195), wk = 0.0031949 k( 289) = ( 0.5000000 0.2269082 0.2653012), wk = 0.0031949 k( 290) = ( 0.5000000 0.2269082 0.2411830), wk = 0.0031949 k( 291) = ( 0.5000000 0.2269082 0.2170647), wk = 0.0031949 k( 292) = ( 0.5000000 0.2269082 0.1929464), wk = 0.0031949 k( 293) = ( 0.5000000 0.2269082 0.1688281), wk = 0.0031949 k( 294) = ( 0.5000000 0.2269082 0.1447098), wk = 0.0031949 k( 295) = ( 0.5000000 0.2269082 0.1205915), wk = 0.0031949 k( 296) = ( 0.5000000 0.2269082 0.0964732), wk = 0.0031949 k( 297) = ( 0.5000000 0.2269082 0.0723549), wk = 0.0031949 k( 298) = ( 0.5000000 0.2269082 0.0482366), wk = 0.0031949 k( 299) = ( 0.5000000 0.2269082 0.0241183), wk = 0.0031949 k( 300) = ( 0.5000000 0.2269082 0.0000000), wk = 0.0031949 k( 301) = ( 0.0000000 0.0000000 1.2099137), wk = 0.0031949 k( 302) = ( 0.0208333 0.0094545 1.2099137), wk = 0.0031949 k( 303) = ( 0.0416667 0.0189090 1.2099137), wk = 0.0031949 k( 304) = ( 0.0625000 0.0283635 1.2099137), wk = 0.0031949 k( 305) = ( 0.0833333 0.0378180 1.2099137), wk = 0.0031949 k( 306) = ( 0.1041667 0.0472725 1.2099137), wk = 0.0031949 k( 307) = ( 0.1250000 0.0567270 1.2099137), wk = 0.0031949 k( 308) = ( 0.1458333 0.0661815 1.2099137), wk = 0.0031949 k( 309) = ( 0.1666667 0.0756361 1.2099137), wk = 0.0031949 k( 310) = ( 0.1875000 0.0850906 1.2099137), wk = 0.0031949 k( 311) = ( 0.2083333 0.0945451 1.2099137), wk = 0.0031949 k( 312) = ( 0.2291667 0.1039996 1.2099137), wk = 0.0031949 k( 313) = ( 0.2500000 0.1134541 1.2099137), wk = 0.0031949 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0000000 0.0000000 0.0098039), wk = 0.0031949 k( 3) = ( 0.0000000 0.0000000 0.0196078), wk = 0.0031949 k( 4) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0031949 k( 5) = ( 0.0000000 0.0000000 0.0392157), wk = 0.0031949 k( 6) = ( 0.0000000 0.0000000 0.0490196), wk = 0.0031949 k( 7) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0031949 k( 8) = ( 0.0000000 0.0000000 0.0686275), wk = 0.0031949 k( 9) = ( 0.0000000 0.0000000 0.0784314), wk = 0.0031949 k( 10) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0031949 k( 11) = ( 0.0000000 0.0000000 0.0980392), wk = 0.0031949 k( 12) = ( 0.0000000 0.0000000 0.1078431), wk = 0.0031949 k( 13) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0031949 k( 14) = ( 0.0000000 0.0000000 0.1274510), wk = 0.0031949 k( 15) = ( 0.0000000 0.0000000 0.1372549), wk = 0.0031949 k( 16) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0031949 k( 17) = ( 0.0000000 0.0000000 0.1568627), wk = 0.0031949 k( 18) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0031949 k( 19) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0031949 k( 20) = ( 0.0000000 0.0000000 0.1862745), wk = 0.0031949 k( 21) = ( 0.0000000 0.0000000 0.1960784), wk = 0.0031949 k( 22) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0031949 k( 23) = ( 0.0000000 0.0000000 0.2156863), wk = 0.0031949 k( 24) = ( 0.0000000 0.0000000 0.2254902), wk = 0.0031949 k( 25) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0031949 k( 26) = ( 0.0000000 0.0000000 0.2450980), wk = 0.0031949 k( 27) = ( 0.0000000 0.0000000 0.2549020), wk = 0.0031949 k( 28) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0031949 k( 29) = ( 0.0000000 0.0000000 0.2745098), wk = 0.0031949 k( 30) = ( 0.0000000 0.0000000 0.2843137), wk = 0.0031949 k( 31) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0031949 k( 32) = ( 0.0000000 0.0000000 0.3039216), wk = 0.0031949 k( 33) = ( 0.0000000 0.0000000 0.3137255), wk = 0.0031949 k( 34) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0031949 k( 35) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0031949 k( 36) = ( 0.0000000 0.0000000 0.3431373), wk = 0.0031949 k( 37) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0031949 k( 38) = ( 0.0000000 0.0000000 0.3627451), wk = 0.0031949 k( 39) = ( 0.0000000 0.0000000 0.3725490), wk = 0.0031949 k( 40) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0031949 k( 41) = ( 0.0000000 0.0000000 0.3921569), wk = 0.0031949 k( 42) = ( 0.0000000 0.0000000 0.4019608), wk = 0.0031949 k( 43) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0031949 k( 44) = ( 0.0000000 0.0000000 0.4215686), wk = 0.0031949 k( 45) = ( 0.0000000 0.0000000 0.4313726), wk = 0.0031949 k( 46) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0031949 k( 47) = ( 0.0000000 0.0000000 0.4509804), wk = 0.0031949 k( 48) = ( 0.0000000 0.0000000 0.4607843), wk = 0.0031949 k( 49) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0031949 k( 50) = ( 0.0000000 0.0000000 0.4803922), wk = 0.0031949 k( 51) = ( 0.0000000 0.0000000 0.4901961), wk = 0.0031949 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031949 k( 53) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031949 k( 54) = ( -0.0085812 0.0085812 0.5000000), wk = 0.0031949 k( 55) = ( -0.0171624 0.0171624 0.5000000), wk = 0.0031949 k( 56) = ( -0.0257437 0.0257437 0.5000000), wk = 0.0031949 k( 57) = ( -0.0343249 0.0343249 0.5000000), wk = 0.0031949 k( 58) = ( -0.0429061 0.0429061 0.5000000), wk = 0.0031949 k( 59) = ( -0.0514873 0.0514873 0.5000000), wk = 0.0031949 k( 60) = ( -0.0514873 0.0514873 0.5000000), wk = 0.0031949 k( 61) = ( -0.0584953 0.0584953 0.4929920), wk = 0.0031949 k( 62) = ( -0.0655033 0.0655033 0.4859840), wk = 0.0031949 k( 63) = ( -0.0725114 0.0725114 0.4789760), wk = 0.0031949 k( 64) = ( -0.0795194 0.0795194 0.4719680), wk = 0.0031949 k( 65) = ( -0.0865274 0.0865274 0.4649599), wk = 0.0031949 k( 66) = ( -0.0935354 0.0935354 0.4579519), wk = 0.0031949 k( 67) = ( -0.1005434 0.1005434 0.4509439), wk = 0.0031949 k( 68) = ( -0.1075514 0.1075514 0.4439359), wk = 0.0031949 k( 69) = ( -0.1145594 0.1145594 0.4369279), wk = 0.0031949 k( 70) = ( -0.1215674 0.1215674 0.4299199), wk = 0.0031949 k( 71) = ( -0.1285754 0.1285754 0.4229119), wk = 0.0031949 k( 72) = ( -0.1355834 0.1355834 0.4159039), wk = 0.0031949 k( 73) = ( -0.1425915 0.1425914 0.4088959), wk = 0.0031949 k( 74) = ( -0.1495995 0.1495995 0.4018878), wk = 0.0031949 k( 75) = ( -0.1566075 0.1566075 0.3948798), wk = 0.0031949 k( 76) = ( -0.1636155 0.1636155 0.3878718), wk = 0.0031949 k( 77) = ( -0.1706235 0.1706235 0.3808638), wk = 0.0031949 k( 78) = ( -0.1776315 0.1776315 0.3738558), wk = 0.0031949 k( 79) = ( -0.1846395 0.1846395 0.3668478), wk = 0.0031949 k( 80) = ( -0.1916475 0.1916475 0.3598398), wk = 0.0031949 k( 81) = ( -0.1986555 0.1986555 0.3528318), wk = 0.0031949 k( 82) = ( -0.2056636 0.2056636 0.3458238), wk = 0.0031949 k( 83) = ( -0.2126716 0.2126716 0.3388158), wk = 0.0031949 k( 84) = ( -0.2196796 0.2196796 0.3318077), wk = 0.0031949 k( 85) = ( -0.2266876 0.2266876 0.3247997), wk = 0.0031949 k( 86) = ( -0.2336956 0.2336956 0.3177917), wk = 0.0031949 k( 87) = ( -0.2407036 0.2407036 0.3107837), wk = 0.0031949 k( 88) = ( -0.2477116 0.2477116 0.3037757), wk = 0.0031949 k( 89) = ( -0.2547196 0.2547196 0.2967677), wk = 0.0031949 k( 90) = ( -0.2617276 0.2617276 0.2897597), wk = 0.0031949 k( 91) = ( -0.2687356 0.2687356 0.2827517), wk = 0.0031949 k( 92) = ( -0.2757437 0.2757437 0.2757437), wk = 0.0031949 k( 93) = ( -0.2757437 0.2757437 0.2757437), wk = 0.0031949 k( 94) = ( -0.2688501 0.2688501 0.2688501), wk = 0.0031949 k( 95) = ( -0.2619565 0.2619565 0.2619565), wk = 0.0031949 k( 96) = ( -0.2550629 0.2550629 0.2550629), wk = 0.0031949 k( 97) = ( -0.2481693 0.2481693 0.2481693), wk = 0.0031949 k( 98) = ( -0.2412757 0.2412757 0.2412757), wk = 0.0031949 k( 99) = ( -0.2343821 0.2343821 0.2343821), wk = 0.0031949 k( 100) = ( -0.2274885 0.2274885 0.2274885), wk = 0.0031949 k( 101) = ( -0.2205949 0.2205949 0.2205949), wk = 0.0031949 k( 102) = ( -0.2137013 0.2137013 0.2137013), wk = 0.0031949 k( 103) = ( -0.2068077 0.2068077 0.2068077), wk = 0.0031949 k( 104) = ( -0.1999142 0.1999142 0.1999142), wk = 0.0031949 k( 105) = ( -0.1930206 0.1930206 0.1930206), wk = 0.0031949 k( 106) = ( -0.1861270 0.1861270 0.1861270), wk = 0.0031949 k( 107) = ( -0.1792334 0.1792334 0.1792334), wk = 0.0031949 k( 108) = ( -0.1723398 0.1723398 0.1723398), wk = 0.0031949 k( 109) = ( -0.1654462 0.1654462 0.1654462), wk = 0.0031949 k( 110) = ( -0.1585526 0.1585526 0.1585526), wk = 0.0031949 k( 111) = ( -0.1516590 0.1516590 0.1516590), wk = 0.0031949 k( 112) = ( -0.1447654 0.1447654 0.1447654), wk = 0.0031949 k( 113) = ( -0.1378718 0.1378718 0.1378718), wk = 0.0031949 k( 114) = ( -0.1309782 0.1309782 0.1309782), wk = 0.0031949 k( 115) = ( -0.1240847 0.1240847 0.1240846), wk = 0.0031949 k( 116) = ( -0.1171911 0.1171910 0.1171911), wk = 0.0031949 k( 117) = ( -0.1102975 0.1102975 0.1102975), wk = 0.0031949 k( 118) = ( -0.1034039 0.1034039 0.1034039), wk = 0.0031949 k( 119) = ( -0.0965103 0.0965103 0.0965103), wk = 0.0031949 k( 120) = ( -0.0896167 0.0896167 0.0896167), wk = 0.0031949 k( 121) = ( -0.0827231 0.0827231 0.0827231), wk = 0.0031949 k( 122) = ( -0.0758295 0.0758295 0.0758295), wk = 0.0031949 k( 123) = ( -0.0689359 0.0689359 0.0689359), wk = 0.0031949 k( 124) = ( -0.0620423 0.0620423 0.0620423), wk = 0.0031949 k( 125) = ( -0.0551487 0.0551487 0.0551487), wk = 0.0031949 k( 126) = ( -0.0482551 0.0482551 0.0482551), wk = 0.0031949 k( 127) = ( -0.0413615 0.0413615 0.0413615), wk = 0.0031949 k( 128) = ( -0.0344680 0.0344680 0.0344680), wk = 0.0031949 k( 129) = ( -0.0275744 0.0275744 0.0275744), wk = 0.0031949 k( 130) = ( -0.0206808 0.0206808 0.0206808), wk = 0.0031949 k( 131) = ( -0.0137872 0.0137872 0.0137872), wk = 0.0031949 k( 132) = ( -0.0068936 0.0068936 0.0068936), wk = 0.0031949 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 135) = ( 0.0217391 0.0217391 -0.0217391), wk = 0.0031949 k( 136) = ( 0.0434783 0.0434783 -0.0434783), wk = 0.0031949 k( 137) = ( 0.0652174 0.0652174 -0.0652174), wk = 0.0031949 k( 138) = ( 0.0869565 0.0869565 -0.0869565), wk = 0.0031949 k( 139) = ( 0.1086957 0.1086956 -0.1086956), wk = 0.0031949 k( 140) = ( 0.1304348 0.1304348 -0.1304348), wk = 0.0031949 k( 141) = ( 0.1521739 0.1521739 -0.1521739), wk = 0.0031949 k( 142) = ( 0.1739130 0.1739130 -0.1739130), wk = 0.0031949 k( 143) = ( 0.1956522 0.1956522 -0.1956522), wk = 0.0031949 k( 144) = ( 0.2173913 0.2173913 -0.2173913), wk = 0.0031949 k( 145) = ( 0.2391304 0.2391304 -0.2391304), wk = 0.0031949 k( 146) = ( 0.2608696 0.2608696 -0.2608696), wk = 0.0031949 k( 147) = ( 0.2826087 0.2826087 -0.2826087), wk = 0.0031949 k( 148) = ( 0.3043478 0.3043478 -0.3043478), wk = 0.0031949 k( 149) = ( 0.3260870 0.3260870 -0.3260870), wk = 0.0031949 k( 150) = ( 0.3478261 0.3478261 -0.3478261), wk = 0.0031949 k( 151) = ( 0.3695652 0.3695652 -0.3695652), wk = 0.0031949 k( 152) = ( 0.3913044 0.3913043 -0.3913044), wk = 0.0031949 k( 153) = ( 0.4130435 0.4130435 -0.4130435), wk = 0.0031949 k( 154) = ( 0.4347826 0.4347826 -0.4347826), wk = 0.0031949 k( 155) = ( 0.4565217 0.4565217 -0.4565217), wk = 0.0031949 k( 156) = ( 0.4782609 0.4782609 -0.4782609), wk = 0.0031949 k( 157) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031949 k( 158) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031949 k( 159) = ( 0.4929920 0.5070080 -0.4929920), wk = 0.0031949 k( 160) = ( 0.4859840 0.5140160 -0.4859840), wk = 0.0031949 k( 161) = ( 0.4789760 0.5210240 -0.4789760), wk = 0.0031949 k( 162) = ( 0.4719680 0.5280320 -0.4719680), wk = 0.0031949 k( 163) = ( 0.4649600 0.5350400 -0.4649600), wk = 0.0031949 k( 164) = ( 0.4579519 0.5420481 -0.4579519), wk = 0.0031949 k( 165) = ( 0.4509439 0.5490561 -0.4509439), wk = 0.0031949 k( 166) = ( 0.4439359 0.5560641 -0.4439359), wk = 0.0031949 k( 167) = ( 0.4369279 0.5630721 -0.4369279), wk = 0.0031949 k( 168) = ( 0.4299199 0.5700801 -0.4299199), wk = 0.0031949 k( 169) = ( 0.4229119 0.5770881 -0.4229119), wk = 0.0031949 k( 170) = ( 0.4159039 0.5840961 -0.4159039), wk = 0.0031949 k( 171) = ( 0.4088959 0.5911041 -0.4088959), wk = 0.0031949 k( 172) = ( 0.4018878 0.5981121 -0.4018878), wk = 0.0031949 k( 173) = ( 0.3948798 0.6051202 -0.3948798), wk = 0.0031949 k( 174) = ( 0.3878718 0.6121282 -0.3878718), wk = 0.0031949 k( 175) = ( 0.3808638 0.6191362 -0.3808638), wk = 0.0031949 k( 176) = ( 0.3738558 0.6261442 -0.3738558), wk = 0.0031949 k( 177) = ( 0.3668478 0.6331522 -0.3668478), wk = 0.0031949 k( 178) = ( 0.3598398 0.6401602 -0.3598398), wk = 0.0031949 k( 179) = ( 0.3528318 0.6471682 -0.3528318), wk = 0.0031949 k( 180) = ( 0.3458238 0.6541762 -0.3458238), wk = 0.0031949 k( 181) = ( 0.3388158 0.6611843 -0.3388157), wk = 0.0031949 k( 182) = ( 0.3318077 0.6681923 -0.3318077), wk = 0.0031949 k( 183) = ( 0.3247997 0.6752003 -0.3247997), wk = 0.0031949 k( 184) = ( 0.3177917 0.6822083 -0.3177917), wk = 0.0031949 k( 185) = ( 0.3107837 0.6892163 -0.3107837), wk = 0.0031949 k( 186) = ( 0.3037757 0.6962243 -0.3037757), wk = 0.0031949 k( 187) = ( 0.2967677 0.7032323 -0.2967677), wk = 0.0031949 k( 188) = ( 0.2897597 0.7102403 -0.2897597), wk = 0.0031949 k( 189) = ( 0.2827517 0.7172483 -0.2827517), wk = 0.0031949 k( 190) = ( 0.2757437 0.7242563 -0.2757437), wk = 0.0031949 k( 191) = ( 0.2757437 0.7242563 -0.2757437), wk = 0.0031949 k( 192) = ( 0.2527650 0.7055683 -0.2527650), wk = 0.0031949 k( 193) = ( 0.2297864 0.6868803 -0.2297864), wk = 0.0031949 k( 194) = ( 0.2068077 0.6681923 -0.2068077), wk = 0.0031949 k( 195) = ( 0.1838291 0.6495042 -0.1838291), wk = 0.0031949 k( 196) = ( 0.1608505 0.6308162 -0.1608505), wk = 0.0031949 k( 197) = ( 0.1378718 0.6121282 -0.1378718), wk = 0.0031949 k( 198) = ( 0.1148932 0.5934401 -0.1148932), wk = 0.0031949 k( 199) = ( 0.0919145 0.5747521 -0.0919146), wk = 0.0031949 k( 200) = ( 0.0689359 0.5560641 -0.0689359), wk = 0.0031949 k( 201) = ( 0.0459573 0.5373761 -0.0459573), wk = 0.0031949 k( 202) = ( 0.0229786 0.5186880 -0.0229786), wk = 0.0031949 k( 203) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031949 k( 204) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031949 k( 205) = ( 0.0069444 0.4930556 0.0069444), wk = 0.0031949 k( 206) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0031949 k( 207) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0031949 k( 208) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0031949 k( 209) = ( 0.0347222 0.4652778 0.0347222), wk = 0.0031949 k( 210) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0031949 k( 211) = ( 0.0486111 0.4513889 0.0486111), wk = 0.0031949 k( 212) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0031949 k( 213) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0031949 k( 214) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0031949 k( 215) = ( 0.0763889 0.4236111 0.0763889), wk = 0.0031949 k( 216) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0031949 k( 217) = ( 0.0902778 0.4097222 0.0902778), wk = 0.0031949 k( 218) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0031949 k( 219) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0031949 k( 220) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0031949 k( 221) = ( 0.1180556 0.3819444 0.1180556), wk = 0.0031949 k( 222) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0031949 k( 223) = ( 0.1319444 0.3680556 0.1319444), wk = 0.0031949 k( 224) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0031949 k( 225) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0031949 k( 226) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0031949 k( 227) = ( 0.1597222 0.3402778 0.1597222), wk = 0.0031949 k( 228) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0031949 k( 229) = ( 0.1736111 0.3263889 0.1736111), wk = 0.0031949 k( 230) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0031949 k( 231) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0031949 k( 232) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0031949 k( 233) = ( 0.2013889 0.2986111 0.2013889), wk = 0.0031949 k( 234) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0031949 k( 235) = ( 0.2152778 0.2847222 0.2152778), wk = 0.0031949 k( 236) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0031949 k( 237) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0031949 k( 238) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0031949 k( 239) = ( 0.2430556 0.2569444 0.2430556), wk = 0.0031949 k( 240) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031949 k( 241) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031949 k( 242) = ( 0.2692308 0.2692308 0.2268087), wk = 0.0031949 k( 243) = ( 0.2884615 0.2884615 0.2036173), wk = 0.0031949 k( 244) = ( 0.3076923 0.3076923 0.1804260), wk = 0.0031949 k( 245) = ( 0.3269231 0.3269231 0.1572347), wk = 0.0031949 k( 246) = ( 0.3461538 0.3461538 0.1340433), wk = 0.0031949 k( 247) = ( 0.3653846 0.3653846 0.1108520), wk = 0.0031949 k( 248) = ( 0.3846154 0.3846154 0.0876607), wk = 0.0031949 k( 249) = ( 0.4038462 0.4038461 0.0644693), wk = 0.0031949 k( 250) = ( 0.4230769 0.4230769 0.0412780), wk = 0.0031949 k( 251) = ( 0.4423077 0.4423077 0.0180867), wk = 0.0031949 k( 252) = ( 0.4615385 0.4615385 -0.0051047), wk = 0.0031949 k( 253) = ( 0.4807692 0.4807692 -0.0282960), wk = 0.0031949 k( 254) = ( 0.5000000 0.5000000 -0.0514873), wk = 0.0031949 k( 255) = ( 0.5000000 0.5000000 -0.0514873), wk = 0.0031949 k( 256) = ( 0.5000000 0.5000000 -0.0614543), wk = 0.0031949 k( 257) = ( 0.5000000 0.5000000 -0.0714212), wk = 0.0031949 k( 258) = ( 0.5000000 0.5000000 -0.0813882), wk = 0.0031949 k( 259) = ( 0.5000000 0.5000000 -0.0913551), wk = 0.0031949 k( 260) = ( 0.5000000 0.5000000 -0.1013221), wk = 0.0031949 k( 261) = ( 0.5000000 0.5000000 -0.1112890), wk = 0.0031949 k( 262) = ( 0.5000000 0.5000000 -0.1212560), wk = 0.0031949 k( 263) = ( 0.5000000 0.5000000 -0.1312229), wk = 0.0031949 k( 264) = ( 0.5000000 0.5000000 -0.1411899), wk = 0.0031949 k( 265) = ( 0.5000000 0.5000000 -0.1511568), wk = 0.0031949 k( 266) = ( 0.5000000 0.5000000 -0.1611238), wk = 0.0031949 k( 267) = ( 0.5000000 0.5000000 -0.1710907), wk = 0.0031949 k( 268) = ( 0.5000000 0.5000000 -0.1810577), wk = 0.0031949 k( 269) = ( 0.5000000 0.5000000 -0.1910246), wk = 0.0031949 k( 270) = ( 0.5000000 0.5000000 -0.2009915), wk = 0.0031949 k( 271) = ( 0.5000000 0.5000000 -0.2109585), wk = 0.0031949 k( 272) = ( 0.5000000 0.5000000 -0.2209254), wk = 0.0031949 k( 273) = ( 0.5000000 0.5000000 -0.2308924), wk = 0.0031949 k( 274) = ( 0.5000000 0.5000000 -0.2408593), wk = 0.0031949 k( 275) = ( 0.5000000 0.5000000 -0.2508263), wk = 0.0031949 k( 276) = ( 0.5000000 0.5000000 -0.2607932), wk = 0.0031949 k( 277) = ( 0.5000000 0.5000000 -0.2707602), wk = 0.0031949 k( 278) = ( 0.5000000 0.5000000 -0.2807271), wk = 0.0031949 k( 279) = ( 0.5000000 0.5000000 -0.2906941), wk = 0.0031949 k( 280) = ( 0.5000000 0.5000000 -0.3006610), wk = 0.0031949 k( 281) = ( 0.5000000 0.5000000 -0.3106280), wk = 0.0031949 k( 282) = ( 0.5000000 0.5000000 -0.3205949), wk = 0.0031949 k( 283) = ( 0.5000000 0.5000000 -0.3305619), wk = 0.0031949 k( 284) = ( 0.5000000 0.5000000 -0.3405288), wk = 0.0031949 k( 285) = ( 0.5000000 0.5000000 -0.3504958), wk = 0.0031949 k( 286) = ( 0.5000000 0.5000000 -0.3604627), wk = 0.0031949 k( 287) = ( 0.5000000 0.5000000 -0.3704297), wk = 0.0031949 k( 288) = ( 0.5000000 0.5000000 -0.3803966), wk = 0.0031949 k( 289) = ( 0.5000000 0.5000000 -0.3903636), wk = 0.0031949 k( 290) = ( 0.5000000 0.5000000 -0.4003305), wk = 0.0031949 k( 291) = ( 0.5000000 0.5000000 -0.4102975), wk = 0.0031949 k( 292) = ( 0.5000000 0.5000000 -0.4202644), wk = 0.0031949 k( 293) = ( 0.5000000 0.5000000 -0.4302314), wk = 0.0031949 k( 294) = ( 0.5000000 0.5000000 -0.4401983), wk = 0.0031949 k( 295) = ( 0.5000000 0.5000000 -0.4501653), wk = 0.0031949 k( 296) = ( 0.5000000 0.5000000 -0.4601322), wk = 0.0031949 k( 297) = ( 0.5000000 0.5000000 -0.4700992), wk = 0.0031949 k( 298) = ( 0.5000000 0.5000000 -0.4800661), wk = 0.0031949 k( 299) = ( 0.5000000 0.5000000 -0.4900331), wk = 0.0031949 k( 300) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031949 k( 301) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031949 k( 302) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0031949 k( 303) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0031949 k( 304) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0031949 k( 305) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0031949 k( 306) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0031949 k( 307) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0031949 k( 308) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0031949 k( 309) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0031949 k( 310) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0031949 k( 311) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0031949 k( 312) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0031949 k( 313) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031949 Dense grid: 66207 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 36303 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 262, 44) NL pseudopotentials 0.41 Mb ( 131, 204) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.01 Mb ( 1838) G-vector shells 0.01 Mb ( 892) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.70 Mb ( 262, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.27 Mb ( 204, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SrSi2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.3 secs Computing kpt #: 3 total cpu time spent up to now is 6.2 secs Computing kpt #: 4 total cpu time spent up to now is 7.0 secs Computing kpt #: 5 total cpu time spent up to now is 7.8 secs Computing kpt #: 6 total cpu time spent up to now is 8.6 secs Computing kpt #: 7 total cpu time spent up to now is 9.3 secs Computing kpt #: 8 total cpu time spent up to now is 10.0 secs Computing kpt #: 9 total cpu time spent up to now is 10.8 secs Computing kpt #: 10 total cpu time spent up to now is 11.6 secs Computing kpt #: 11 total cpu time spent up to now is 12.4 secs Computing kpt #: 12 total cpu time spent up to now is 13.3 secs Computing kpt #: 13 total cpu time spent up to now is 14.1 secs Computing kpt #: 14 total cpu time spent up to now is 15.0 secs Computing kpt #: 15 total cpu time spent up to now is 16.0 secs Computing kpt #: 16 total cpu time spent up to now is 16.9 secs Computing kpt #: 17 total cpu time spent up to now is 17.7 secs Computing kpt #: 18 total cpu time spent up to now is 18.6 secs Computing kpt #: 19 total cpu time spent up to now is 19.4 secs Computing kpt #: 20 total cpu time spent up to now is 20.0 secs Computing kpt #: 21 total cpu time spent up to now is 20.7 secs Computing kpt #: 22 total cpu time spent up to now is 21.3 secs Computing kpt #: 23 total cpu time spent up to now is 22.0 secs Computing kpt #: 24 total cpu time spent up to now is 22.8 secs Computing kpt #: 25 total cpu time spent up to now is 23.5 secs Computing kpt #: 26 total cpu time spent up to now is 24.3 secs Computing kpt #: 27 total cpu time spent up to now is 25.1 secs Computing kpt #: 28 total cpu time spent up to now is 25.9 secs Computing kpt #: 29 total cpu time spent up to now is 26.7 secs Computing kpt #: 30 total cpu time spent up to now is 27.5 secs Computing kpt #: 31 total cpu time spent up to now is 28.3 secs Computing kpt #: 32 total cpu time spent up to now is 29.1 secs Computing kpt #: 33 total cpu time spent up to now is 29.9 secs Computing kpt #: 34 total cpu time spent up to now is 30.7 secs Computing kpt #: 35 total cpu time spent up to now is 31.5 secs Computing kpt #: 36 total cpu time spent up to now is 32.3 secs Computing kpt #: 37 total cpu time spent up to now is 33.1 secs Computing kpt #: 38 total cpu time spent up to now is 33.9 secs Computing kpt #: 39 total cpu time spent up to now is 34.7 secs Computing kpt #: 40 total cpu time spent up to now is 35.5 secs Computing kpt #: 41 total cpu time spent up to now is 36.3 secs Computing kpt #: 42 total cpu time spent up to now is 37.0 secs Computing kpt #: 43 total cpu time spent up to now is 37.7 secs Computing kpt #: 44 total cpu time spent up to now is 38.4 secs Computing kpt #: 45 total cpu time spent up to now is 39.1 secs Computing kpt #: 46 total cpu time spent up to now is 39.7 secs Computing kpt #: 47 total cpu time spent up to now is 40.4 secs Computing kpt #: 48 total cpu time spent up to now is 41.0 secs Computing kpt #: 49 total cpu time spent up to now is 41.7 secs Computing kpt #: 50 total cpu time spent up to now is 42.4 secs Computing kpt #: 51 total cpu time spent up to now is 43.0 secs Computing kpt #: 52 total cpu time spent up to now is 43.7 secs Computing kpt #: 53 total cpu time spent up to now is 44.3 secs Computing kpt #: 54 total cpu time spent up to now is 44.9 secs Computing kpt #: 55 total cpu time spent up to now is 45.6 secs Computing kpt #: 56 total cpu time spent up to now is 46.3 secs Computing kpt #: 57 total cpu time spent up to now is 46.9 secs Computing kpt #: 58 total cpu time spent up to now is 47.6 secs Computing kpt #: 59 total cpu time spent up to now is 48.3 secs Computing kpt #: 60 total cpu time spent up to now is 48.9 secs Computing kpt #: 61 total cpu time spent up to now is 49.6 secs Computing kpt #: 62 total cpu time spent up to now is 50.3 secs Computing kpt #: 63 total cpu time spent up to now is 51.0 secs Computing kpt #: 64 total cpu time spent up to now is 51.6 secs Computing kpt #: 65 total cpu time spent up to now is 52.4 secs Computing kpt #: 66 total cpu time spent up to now is 53.2 secs Computing kpt #: 67 total cpu time spent up to now is 53.9 secs Computing kpt #: 68 total cpu time spent up to now is 54.7 secs Computing kpt #: 69 total cpu time spent up to now is 55.5 secs Computing kpt #: 70 total cpu time spent up to now is 56.2 secs Computing kpt #: 71 total cpu time spent up to now is 56.9 secs Computing kpt #: 72 total cpu time spent up to now is 57.6 secs Computing kpt #: 73 total cpu time spent up to now is 58.2 secs Computing kpt #: 74 total cpu time spent up to now is 58.9 secs Computing kpt #: 75 total cpu time spent up to now is 59.6 secs Computing kpt #: 76 total cpu time spent up to now is 60.2 secs Computing kpt #: 77 total cpu time spent up to now is 60.9 secs Computing kpt #: 78 total cpu time spent up to now is 61.6 secs Computing kpt #: 79 total cpu time spent up to now is 62.2 secs Computing kpt #: 80 total cpu time spent up to now is 62.9 secs Computing kpt #: 81 total cpu time spent up to now is 63.5 secs Computing kpt #: 82 total cpu time spent up to now is 64.2 secs Computing kpt #: 83 total cpu time spent up to now is 65.0 secs Computing kpt #: 84 total cpu time spent up to now is 65.8 secs Computing kpt #: 85 total cpu time spent up to now is 66.6 secs Computing kpt #: 86 total cpu time spent up to now is 67.4 secs Computing kpt #: 87 total cpu time spent up to now is 68.3 secs Computing kpt #: 88 total cpu time spent up to now is 69.1 secs Computing kpt #: 89 total cpu time spent up to now is 70.0 secs Computing kpt #: 90 total cpu time spent up to now is 70.8 secs Computing kpt #: 91 total cpu time spent up to now is 71.8 secs Computing kpt #: 92 total cpu time spent up to now is 72.6 secs Computing kpt #: 93 total cpu time spent up to now is 73.4 secs Computing kpt #: 94 total cpu time spent up to now is 74.2 secs Computing kpt #: 95 total cpu time spent up to now is 75.0 secs Computing kpt #: 96 total cpu time spent up to now is 75.7 secs Computing kpt #: 97 total cpu time spent up to now is 76.5 secs Computing kpt #: 98 total cpu time spent up to now is 77.3 secs Computing kpt #: 99 total cpu time spent up to now is 78.1 secs Computing kpt #: 100 total cpu time spent up to now is 78.9 secs Computing kpt #: 101 total cpu time spent up to now is 79.7 secs Computing kpt #: 102 total cpu time spent up to now is 80.5 secs Computing kpt #: 103 total cpu time spent up to now is 81.3 secs Computing kpt #: 104 total cpu time spent up to now is 82.1 secs Computing kpt #: 105 total cpu time spent up to now is 82.9 secs Computing kpt #: 106 total cpu time spent up to now is 83.7 secs Computing kpt #: 107 total cpu time spent up to now is 84.5 secs Computing kpt #: 108 total cpu time spent up to now is 85.3 secs Computing kpt #: 109 total cpu time spent up to now is 86.1 secs Computing kpt #: 110 total cpu time spent up to now is 86.8 secs Computing kpt #: 111 total cpu time spent up to now is 87.4 secs Computing kpt #: 112 total cpu time spent up to now is 88.2 secs Computing kpt #: 113 total cpu time spent up to now is 88.8 secs Computing kpt #: 114 total cpu time spent up to now is 89.5 secs Computing kpt #: 115 total cpu time spent up to now is 90.1 secs Computing kpt #: 116 total cpu time spent up to now is 90.7 secs Computing kpt #: 117 total cpu time spent up to now is 91.4 secs Computing kpt #: 118 total cpu time spent up to now is 92.0 secs Computing kpt #: 119 total cpu time spent up to now is 92.6 secs Computing kpt #: 120 total cpu time spent up to now is 93.3 secs Computing kpt #: 121 total cpu time spent up to now is 94.0 secs Computing kpt #: 122 total cpu time spent up to now is 94.6 secs Computing kpt #: 123 total cpu time spent up to now is 95.3 secs Computing kpt #: 124 total cpu time spent up to now is 96.1 secs Computing kpt #: 125 total cpu time spent up to now is 97.1 secs Computing kpt #: 126 total cpu time spent up to now is 98.0 secs Computing kpt #: 127 total cpu time spent up to now is 98.9 secs Computing kpt #: 128 total cpu time spent up to now is 99.9 secs Computing kpt #: 129 total cpu time spent up to now is 100.8 secs Computing kpt #: 130 total cpu time spent up to now is 101.9 secs Computing kpt #: 131 total cpu time spent up to now is 103.0 secs Computing kpt #: 132 total cpu time spent up to now is 104.5 secs Computing kpt #: 133 total cpu time spent up to now is 106.1 secs Computing kpt #: 134 total cpu time spent up to now is 107.4 secs Computing kpt #: 135 total cpu time spent up to now is 108.9 secs Computing kpt #: 136 total cpu time spent up to now is 110.5 secs Computing kpt #: 137 total cpu time spent up to now is 111.6 secs Computing kpt #: 138 total cpu time spent up to now is 112.7 secs Computing kpt #: 139 total cpu time spent up to now is 113.8 secs Computing kpt #: 140 total cpu time spent up to now is 114.8 secs Computing kpt #: 141 total cpu time spent up to now is 115.6 secs Computing kpt #: 142 total cpu time spent up to now is 116.4 secs Computing kpt #: 143 total cpu time spent up to now is 117.0 secs Computing kpt #: 144 total cpu time spent up to now is 117.7 secs Computing kpt #: 145 total cpu time spent up to now is 118.4 secs Computing kpt #: 146 total cpu time spent up to now is 119.0 secs Computing kpt #: 147 total cpu time spent up to now is 119.7 secs Computing kpt #: 148 total cpu time spent up to now is 120.3 secs Computing kpt #: 149 total cpu time spent up to now is 121.0 secs Computing kpt #: 150 total cpu time spent up to now is 121.7 secs Computing kpt #: 151 total cpu time spent up to now is 122.3 secs Computing kpt #: 152 total cpu time spent up to now is 123.1 secs Computing kpt #: 153 total cpu time spent up to now is 123.9 secs Computing kpt #: 154 total cpu time spent up to now is 124.7 secs Computing kpt #: 155 total cpu time spent up to now is 125.5 secs Computing kpt #: 156 total cpu time spent up to now is 126.2 secs Computing kpt #: 157 total cpu time spent up to now is 126.9 secs Computing kpt #: 158 total cpu time spent up to now is 127.6 secs Computing kpt #: 159 total cpu time spent up to now is 128.4 secs Computing kpt #: 160 total cpu time spent up to now is 129.2 secs Computing kpt #: 161 total cpu time spent up to now is 130.0 secs Computing kpt #: 162 total cpu time spent up to now is 130.8 secs Computing kpt #: 163 total cpu time spent up to now is 131.6 secs Computing kpt #: 164 total cpu time spent up to now is 132.4 secs Computing kpt #: 165 total cpu time spent up to now is 133.2 secs Computing kpt #: 166 total cpu time spent up to now is 134.0 secs Computing kpt #: 167 total cpu time spent up to now is 134.9 secs Computing kpt #: 168 total cpu time spent up to now is 135.7 secs Computing kpt #: 169 total cpu time spent up to now is 136.6 secs Computing kpt #: 170 total cpu time spent up to now is 137.4 secs Computing kpt #: 171 total cpu time spent up to now is 138.2 secs Computing kpt #: 172 total cpu time spent up to now is 139.0 secs Computing kpt #: 173 total cpu time spent up to now is 139.8 secs Computing kpt #: 174 total cpu time spent up to now is 140.7 secs Computing kpt #: 175 total cpu time spent up to now is 141.5 secs Computing kpt #: 176 total cpu time spent up to now is 142.3 secs Computing kpt #: 177 total cpu time spent up to now is 143.1 secs Computing kpt #: 178 total cpu time spent up to now is 143.9 secs Computing kpt #: 179 total cpu time spent up to now is 144.7 secs Computing kpt #: 180 total cpu time spent up to now is 145.5 secs Computing kpt #: 181 total cpu time spent up to now is 146.3 secs Computing kpt #: 182 total cpu time spent up to now is 147.2 secs Computing kpt #: 183 total cpu time spent up to now is 148.0 secs Computing kpt #: 184 total cpu time spent up to now is 148.8 secs Computing kpt #: 185 total cpu time spent up to now is 149.5 secs Computing kpt #: 186 total cpu time spent up to now is 150.2 secs Computing kpt #: 187 total cpu time spent up to now is 150.8 secs Computing kpt #: 188 total cpu time spent up to now is 151.5 secs Computing kpt #: 189 total cpu time spent up to now is 152.3 secs Computing kpt #: 190 total cpu time spent up to now is 153.2 secs Computing kpt #: 191 total cpu time spent up to now is 154.0 secs Computing kpt #: 192 total cpu time spent up to now is 154.8 secs Computing kpt #: 193 total cpu time spent up to now is 155.6 secs Computing kpt #: 194 total cpu time spent up to now is 156.4 secs Computing kpt #: 195 total cpu time spent up to now is 157.2 secs Computing kpt #: 196 total cpu time spent up to now is 158.0 secs Computing kpt #: 197 total cpu time spent up to now is 158.7 secs Computing kpt #: 198 total cpu time spent up to now is 159.4 secs Computing kpt #: 199 total cpu time spent up to now is 160.2 secs Computing kpt #: 200 total cpu time spent up to now is 160.9 secs Computing kpt #: 201 total cpu time spent up to now is 161.7 secs Computing kpt #: 202 total cpu time spent up to now is 162.3 secs Computing kpt #: 203 total cpu time spent up to now is 163.0 secs Computing kpt #: 204 total cpu time spent up to now is 163.7 secs Computing kpt #: 205 total cpu time spent up to now is 164.5 secs Computing kpt #: 206 total cpu time spent up to now is 165.2 secs Computing kpt #: 207 total cpu time spent up to now is 165.9 secs Computing kpt #: 208 total cpu time spent up to now is 166.7 secs Computing kpt #: 209 total cpu time spent up to now is 167.5 secs Computing kpt #: 210 total cpu time spent up to now is 168.4 secs Computing kpt #: 211 total cpu time spent up to now is 169.2 secs Computing kpt #: 212 total cpu time spent up to now is 170.0 secs Computing kpt #: 213 total cpu time spent up to now is 170.8 secs Computing kpt #: 214 total cpu time spent up to now is 171.6 secs Computing kpt #: 215 total cpu time spent up to now is 172.3 secs Computing kpt #: 216 total cpu time spent up to now is 173.1 secs Computing kpt #: 217 total cpu time spent up to now is 173.9 secs Computing kpt #: 218 total cpu time spent up to now is 174.6 secs Computing kpt #: 219 total cpu time spent up to now is 175.3 secs Computing kpt #: 220 total cpu time spent up to now is 176.1 secs Computing kpt #: 221 total cpu time spent up to now is 176.7 secs Computing kpt #: 222 total cpu time spent up to now is 177.4 secs Computing kpt #: 223 total cpu time spent up to now is 178.1 secs Computing kpt #: 224 total cpu time spent up to now is 178.9 secs Computing kpt #: 225 total cpu time spent up to now is 179.6 secs Computing kpt #: 226 total cpu time spent up to now is 180.3 secs Computing kpt #: 227 total cpu time spent up to now is 181.0 secs Computing kpt #: 228 total cpu time spent up to now is 181.7 secs Computing kpt #: 229 total cpu time spent up to now is 182.4 secs Computing kpt #: 230 total cpu time spent up to now is 183.2 secs Computing kpt #: 231 total cpu time spent up to now is 183.9 secs Computing kpt #: 232 total cpu time spent up to now is 184.7 secs Computing kpt #: 233 total cpu time spent up to now is 185.5 secs Computing kpt #: 234 total cpu time spent up to now is 186.4 secs Computing kpt #: 235 total cpu time spent up to now is 187.3 secs Computing kpt #: 236 total cpu time spent up to now is 188.2 secs Computing kpt #: 237 total cpu time spent up to now is 189.2 secs Computing kpt #: 238 total cpu time spent up to now is 190.2 secs Computing kpt #: 239 total cpu time spent up to now is 191.3 secs Computing kpt #: 240 total cpu time spent up to now is 192.6 secs Computing kpt #: 241 total cpu time spent up to now is 193.8 secs Computing kpt #: 242 total cpu time spent up to now is 194.7 secs Computing kpt #: 243 total cpu time spent up to now is 195.5 secs Computing kpt #: 244 total cpu time spent up to now is 196.3 secs Computing kpt #: 245 total cpu time spent up to now is 197.1 secs Computing kpt #: 246 total cpu time spent up to now is 197.8 secs Computing kpt #: 247 total cpu time spent up to now is 198.5 secs Computing kpt #: 248 total cpu time spent up to now is 199.1 secs Computing kpt #: 249 total cpu time spent up to now is 199.8 secs Computing kpt #: 250 total cpu time spent up to now is 200.5 secs Computing kpt #: 251 total cpu time spent up to now is 201.2 secs Computing kpt #: 252 total cpu time spent up to now is 201.8 secs Computing kpt #: 253 total cpu time spent up to now is 202.5 secs Computing kpt #: 254 total cpu time spent up to now is 203.2 secs Computing kpt #: 255 total cpu time spent up to now is 203.9 secs Computing kpt #: 256 total cpu time spent up to now is 204.5 secs Computing kpt #: 257 total cpu time spent up to now is 205.3 secs Computing kpt #: 258 total cpu time spent up to now is 206.1 secs Computing kpt #: 259 total cpu time spent up to now is 206.9 secs Computing kpt #: 260 total cpu time spent up to now is 207.6 secs Computing kpt #: 261 total cpu time spent up to now is 208.3 secs Computing kpt #: 262 total cpu time spent up to now is 209.1 secs Computing kpt #: 263 total cpu time spent up to now is 209.8 secs Computing kpt #: 264 total cpu time spent up to now is 210.4 secs Computing kpt #: 265 total cpu time spent up to now is 211.1 secs Computing kpt #: 266 total cpu time spent up to now is 211.7 secs Computing kpt #: 267 total cpu time spent up to now is 212.4 secs Computing kpt #: 268 total cpu time spent up to now is 213.0 secs Computing kpt #: 269 total cpu time spent up to now is 213.7 secs Computing kpt #: 270 total cpu time spent up to now is 214.3 secs Computing kpt #: 271 total cpu time spent up to now is 215.0 secs Computing kpt #: 272 total cpu time spent up to now is 215.6 secs Computing kpt #: 273 total cpu time spent up to now is 216.3 secs Computing kpt #: 274 total cpu time spent up to now is 216.9 secs Computing kpt #: 275 total cpu time spent up to now is 217.6 secs Computing kpt #: 276 total cpu time spent up to now is 218.2 secs Computing kpt #: 277 total cpu time spent up to now is 218.9 secs Computing kpt #: 278 total cpu time spent up to now is 219.5 secs Computing kpt #: 279 total cpu time spent up to now is 220.2 secs Computing kpt #: 280 total cpu time spent up to now is 220.9 secs Computing kpt #: 281 total cpu time spent up to now is 221.6 secs Computing kpt #: 282 total cpu time spent up to now is 222.5 secs Computing kpt #: 283 total cpu time spent up to now is 223.4 secs Computing kpt #: 284 total cpu time spent up to now is 224.2 secs Computing kpt #: 285 total cpu time spent up to now is 225.0 secs Computing kpt #: 286 total cpu time spent up to now is 225.8 secs Computing kpt #: 287 total cpu time spent up to now is 226.6 secs Computing kpt #: 288 total cpu time spent up to now is 227.4 secs Computing kpt #: 289 total cpu time spent up to now is 228.2 secs Computing kpt #: 290 total cpu time spent up to now is 229.0 secs Computing kpt #: 291 total cpu time spent up to now is 229.7 secs Computing kpt #: 292 total cpu time spent up to now is 230.5 secs Computing kpt #: 293 total cpu time spent up to now is 231.3 secs Computing kpt #: 294 total cpu time spent up to now is 232.1 secs Computing kpt #: 295 total cpu time spent up to now is 232.9 secs Computing kpt #: 296 total cpu time spent up to now is 233.7 secs Computing kpt #: 297 total cpu time spent up to now is 234.5 secs Computing kpt #: 298 total cpu time spent up to now is 235.3 secs Computing kpt #: 299 total cpu time spent up to now is 236.1 secs Computing kpt #: 300 total cpu time spent up to now is 236.9 secs Computing kpt #: 301 total cpu time spent up to now is 237.5 secs Computing kpt #: 302 total cpu time spent up to now is 238.2 secs Computing kpt #: 303 total cpu time spent up to now is 238.8 secs Computing kpt #: 304 total cpu time spent up to now is 239.5 secs Computing kpt #: 305 total cpu time spent up to now is 240.1 secs Computing kpt #: 306 total cpu time spent up to now is 240.8 secs Computing kpt #: 307 total cpu time spent up to now is 241.5 secs Computing kpt #: 308 total cpu time spent up to now is 242.2 secs Computing kpt #: 309 total cpu time spent up to now is 242.9 secs Computing kpt #: 310 total cpu time spent up to now is 243.7 secs Computing kpt #: 311 total cpu time spent up to now is 244.5 secs Computing kpt #: 312 total cpu time spent up to now is 245.3 secs Computing kpt #: 313 total cpu time spent up to now is 246.5 secs ethr = 2.78E-08, avg # of iterations = 24.7 total cpu time spent up to now is 246.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4555 PWs) bands (ev): -26.5724 -26.5724 -26.5535 -26.5535 -9.4880 -9.4880 -9.3894 -9.3894 -8.4299 -8.4299 -8.2963 -8.2963 -8.2830 -8.2830 -8.2170 -8.2170 -2.5955 -2.5955 -0.2085 -0.2085 0.6694 0.6694 5.0532 5.0532 5.0768 5.0768 6.1441 6.1441 6.4268 6.4268 6.4519 6.4519 6.4912 6.4912 7.5181 7.5181 8.8775 8.8775 9.4051 9.4051 10.1577 10.1577 10.9110 10.9110 k = 0.0000 0.0000 0.0237 ( 4549 PWs) bands (ev): -26.5723 -26.5723 -26.5535 -26.5535 -9.4880 -9.4880 -9.3895 -9.3895 -8.4299 -8.4299 -8.2964 -8.2964 -8.2832 -8.2832 -8.2170 -8.2170 -2.5941 -2.5941 -0.2081 -0.2081 0.6697 0.6697 5.0444 5.0444 5.0682 5.0682 6.1572 6.1572 6.4123 6.4123 6.4586 6.4586 6.4942 6.4942 7.5262 7.5262 8.8796 8.8796 9.4033 9.4033 10.1613 10.1613 10.8650 10.8650 k = 0.0000 0.0000 0.0474 ( 4537 PWs) bands (ev): -26.5723 -26.5723 -26.5535 -26.5535 -9.4880 -9.4880 -9.3898 -9.3898 -8.4298 -8.4298 -8.2968 -8.2968 -8.2837 -8.2837 -8.2172 -8.2172 -2.5901 -2.5901 -0.2069 -0.2069 0.6707 0.6707 5.0169 5.0169 5.0456 5.0456 6.1949 6.1949 6.3843 6.3843 6.4639 6.4639 6.5022 6.5022 7.5502 7.5502 8.8859 8.8859 9.3981 9.3981 10.1716 10.1716 10.7651 10.7651 k = 0.0000 0.0000 0.0712 ( 4537 PWs) bands (ev): -26.5722 -26.5722 -26.5535 -26.5535 -9.4880 -9.4880 -9.3903 -9.3903 -8.4296 -8.4296 -8.2975 -8.2975 -8.2845 -8.2845 -8.2174 -8.2174 -2.5833 -2.5833 -0.2050 -0.2050 0.6722 0.6722 4.9710 4.9710 5.0130 5.0130 6.2532 6.2532 6.3500 6.3500 6.4648 6.4648 6.5119 6.5119 7.5892 7.5892 8.8964 8.8964 9.3897 9.3897 10.1877 10.1877 10.6496 10.6496 k = 0.0000 0.0000 0.0949 ( 4533 PWs) bands (ev): -26.5722 -26.5722 -26.5535 -26.5535 -9.4880 -9.4880 -9.3909 -9.3909 -8.4293 -8.4293 -8.2984 -8.2984 -8.2856 -8.2856 -8.2178 -8.2178 -2.5738 -2.5738 -0.2023 -0.2023 0.6742 0.6742 4.9112 4.9112 4.9715 4.9715 6.3052 6.3052 6.3333 6.3333 6.4633 6.4633 6.5205 6.5205 7.6417 7.6417 8.9111 8.9111 9.3782 9.3782 10.2074 10.2074 10.5282 10.5282 k = 0.0000 0.0000 0.1186 ( 4529 PWs) bands (ev): -26.5721 -26.5721 -26.5535 -26.5535 -9.4880 -9.4880 -9.3918 -9.3918 -8.4289 -8.4289 -8.2996 -8.2996 -8.2871 -8.2871 -8.2183 -8.2183 -2.5618 -2.5618 -0.1988 -0.1988 0.6766 0.6766 4.8419 4.8419 4.9221 4.9221 6.2630 6.2630 6.4175 6.4175 6.4615 6.4615 6.5271 6.5271 7.7062 7.7062 8.9299 8.9299 9.3640 9.3640 10.2280 10.2280 10.4048 10.4048 k = 0.0000 0.0000 0.1423 ( 4525 PWs) bands (ev): -26.5719 -26.5719 -26.5534 -26.5534 -9.4881 -9.4881 -9.3929 -9.3929 -8.4285 -8.4285 -8.3010 -8.3010 -8.2888 -8.2888 -8.2188 -8.2188 -2.5471 -2.5471 -0.1944 -0.1944 0.6793 0.6793 4.7665 4.7665 4.8660 4.8660 6.2134 6.2134 6.4535 6.4535 6.5197 6.5197 6.5314 6.5314 7.7807 7.7807 8.9528 8.9528 9.3475 9.3475 10.2457 10.2457 10.2817 10.2817 k = 0.0000 0.0000 0.1661 ( 4523 PWs) bands (ev): -26.5718 -26.5718 -26.5534 -26.5534 -9.4881 -9.4881 -9.3941 -9.3941 -8.4280 -8.4280 -8.3027 -8.3027 -8.2909 -8.2909 -8.2195 -8.2195 -2.5299 -2.5299 -0.1893 -0.1893 0.6820 0.6820 4.6869 4.6869 4.8049 4.8049 6.1594 6.1594 6.4491 6.4491 6.5334 6.5334 6.6256 6.6256 7.8633 7.8633 8.9797 8.9797 9.3290 9.3290 10.1599 10.1599 10.2574 10.2574 k = 0.0000 0.0000 0.1898 ( 4531 PWs) bands (ev): -26.5716 -26.5716 -26.5534 -26.5534 -9.4882 -9.4882 -9.3955 -9.3955 -8.4274 -8.4274 -8.3046 -8.3046 -8.2932 -8.2932 -8.2202 -8.2202 -2.5103 -2.5103 -0.1832 -0.1832 0.6846 0.6846 4.6049 4.6049 4.7403 4.7403 6.1018 6.1018 6.4433 6.4433 6.5333 6.5333 6.7387 6.7387 7.9522 7.9522 9.0106 9.0106 9.3088 9.3088 10.0414 10.0414 10.2590 10.2590 k = 0.0000 0.0000 0.2135 ( 4535 PWs) bands (ev): -26.5714 -26.5714 -26.5533 -26.5533 -9.4882 -9.4882 -9.3971 -9.3971 -8.4267 -8.4267 -8.3067 -8.3067 -8.2957 -8.2957 -8.2211 -8.2211 -2.4882 -2.4882 -0.1763 -0.1763 0.6868 0.6868 4.5214 4.5214 4.6735 4.6735 6.0411 6.0411 6.4367 6.4367 6.5310 6.5310 6.8572 6.8572 8.0451 8.0451 9.0453 9.0453 9.2874 9.2874 9.9273 9.9273 10.2495 10.2495 k = 0.0000 0.0000 0.2372 ( 4535 PWs) bands (ev): -26.5712 -26.5712 -26.5533 -26.5533 -9.4883 -9.4883 -9.3989 -9.3989 -8.4260 -8.4260 -8.3090 -8.3090 -8.2985 -8.2985 -8.2220 -8.2220 -2.4639 -2.4639 -0.1684 -0.1684 0.6884 0.6884 4.4372 4.4372 4.6059 4.6059 5.9779 5.9779 6.4295 6.4295 6.5266 6.5266 6.9804 6.9804 8.1399 8.1399 9.0838 9.0838 9.2650 9.2650 9.8191 9.8191 10.2300 10.2300 k = 0.0000 0.0000 0.2610 ( 4521 PWs) bands (ev): -26.5710 -26.5710 -26.5533 -26.5533 -9.4884 -9.4884 -9.4007 -9.4007 -8.4251 -8.4251 -8.3115 -8.3115 -8.3015 -8.3015 -8.2230 -8.2230 -2.4374 -2.4374 -0.1596 -0.1596 0.6892 0.6892 4.3527 4.3527 4.5387 4.5387 5.9128 5.9128 6.4218 6.4218 6.5200 6.5200 7.1076 7.1076 8.2338 8.2338 9.1258 9.1258 9.2419 9.2419 9.7189 9.7189 10.2032 10.2032 k = 0.0000 0.0000 0.2847 ( 4519 PWs) bands (ev): -26.5707 -26.5707 -26.5532 -26.5532 -9.4885 -9.4885 -9.4028 -9.4028 -8.4243 -8.4242 -8.3142 -8.3142 -8.3046 -8.3046 -8.2241 -8.2241 -2.4088 -2.4088 -0.1498 -0.1498 0.6887 0.6887 4.2683 4.2683 4.4728 4.4728 5.8463 5.8463 6.4137 6.4137 6.5114 6.5114 7.2383 7.2383 8.3234 8.3234 9.1713 9.1713 9.2183 9.2183 9.6294 9.6294 10.1720 10.1720 k = 0.0000 0.0000 0.3084 ( 4507 PWs) bands (ev): -26.5704 -26.5704 -26.5532 -26.5532 -9.4886 -9.4886 -9.4049 -9.4049 -8.4233 -8.4233 -8.3171 -8.3171 -8.3079 -8.3079 -8.2253 -8.2253 -2.3782 -2.3782 -0.1389 -0.1389 0.6868 0.6868 4.1842 4.1842 4.4091 4.4091 5.7790 5.7790 6.4052 6.4052 6.5006 6.5006 7.3722 7.3722 8.4040 8.4040 9.1933 9.1933 9.2211 9.2211 9.5547 9.5547 10.1393 10.1393 k = 0.0000 0.0000 0.3321 ( 4511 PWs) bands (ev): -26.5701 -26.5701 -26.5531 -26.5531 -9.4887 -9.4886 -9.4072 -9.4072 -8.4223 -8.4223 -8.3201 -8.3201 -8.3113 -8.3113 -8.2266 -8.2266 -2.3457 -2.3457 -0.1270 -0.1270 0.6831 0.6831 4.1006 4.1006 4.3485 4.3485 5.7114 5.7114 6.3966 6.3966 6.4876 6.4876 7.5088 7.5088 8.4695 8.4695 9.1689 9.1689 9.2728 9.2728 9.5005 9.5005 10.1058 10.1058 k = 0.0000 0.0000 0.3559 ( 4515 PWs) bands (ev): -26.5698 -26.5698 -26.5531 -26.5531 -9.4888 -9.4887 -9.4095 -9.4095 -8.4212 -8.4212 -8.3233 -8.3232 -8.3148 -8.3148 -8.2279 -8.2279 -2.3115 -2.3115 -0.1139 -0.1139 0.6773 0.6773 4.0176 4.0176 4.2916 4.2916 5.6440 5.6440 6.3878 6.3878 6.4724 6.4724 7.6478 7.6478 8.5128 8.5128 9.1434 9.1434 9.3279 9.3279 9.4735 9.4735 10.0056 10.0056 k = 0.0000 0.0000 0.3796 ( 4515 PWs) bands (ev): -26.5695 -26.5695 -26.5530 -26.5530 -9.4889 -9.4889 -9.4120 -9.4120 -8.4201 -8.4201 -8.3265 -8.3265 -8.3184 -8.3183 -8.2293 -8.2293 -2.2757 -2.2757 -0.0997 -0.0997 0.6691 0.6691 3.9352 3.9352 4.2391 4.2391 5.5773 5.5773 6.3789 6.3789 6.4550 6.4550 7.7887 7.7887 8.5283 8.5283 9.1168 9.1168 9.3857 9.3857 9.4785 9.4785 9.8880 9.8880 k = 0.0000 0.0000 0.4033 ( 4509 PWs) bands (ev): -26.5692 -26.5692 -26.5530 -26.5530 -9.4890 -9.4890 -9.4145 -9.4145 -8.4190 -8.4190 -8.3299 -8.3299 -8.3219 -8.3219 -8.2308 -8.2308 -2.2384 -2.2384 -0.0843 -0.0843 0.6582 0.6582 3.8536 3.8536 4.1914 4.1914 5.5116 5.5116 6.3701 6.3701 6.4355 6.4355 7.9308 7.9308 8.5155 8.5155 9.0884 9.0884 9.4460 9.4460 9.5161 9.5161 9.7736 9.7736 k = 0.0000 0.0000 0.4270 ( 4509 PWs) bands (ev): -26.5688 -26.5688 -26.5529 -26.5529 -9.4891 -9.4891 -9.4171 -9.4171 -8.4178 -8.4178 -8.3334 -8.3333 -8.3255 -8.3254 -8.2324 -8.2324 -2.1997 -2.1997 -0.0676 -0.0676 0.6444 0.6444 3.7726 3.7726 4.1490 4.1490 5.4474 5.4474 6.3614 6.3614 6.4139 6.4139 8.0730 8.0730 8.4787 8.4787 9.0575 9.0575 9.5086 9.5086 9.5809 9.5809 9.6655 9.6655 k = 0.0000 0.0000 0.4508 ( 4517 PWs) bands (ev): -26.5684 -26.5684 -26.5529 -26.5529 -9.4892 -9.4892 -9.4198 -9.4198 -8.4166 -8.4166 -8.3369 -8.3368 -8.3290 -8.3289 -8.2341 -8.2340 -2.1599 -2.1599 -0.0497 -0.0497 0.6275 0.6275 3.6923 3.6923 4.1122 4.1122 5.3850 5.3850 6.3528 6.3528 6.3902 6.3902 8.2131 8.2131 8.4249 8.4249 9.0237 9.0237 9.5654 9.5654 9.5738 9.5738 9.6673 9.6673 k = 0.0000 0.0000 0.4745 ( 4507 PWs) bands (ev): -26.5681 -26.5681 -26.5528 -26.5528 -9.4893 -9.4893 -9.4225 -9.4225 -8.4155 -8.4155 -8.3404 -8.3404 -8.3324 -8.3323 -8.2358 -8.2357 -2.1190 -2.1190 -0.0304 -0.0304 0.6074 0.6074 3.6127 3.6127 4.0813 4.0813 5.3248 5.3248 6.3444 6.3444 6.3648 6.3648 8.3443 8.3443 8.3625 8.3625 8.9886 8.9886 9.4803 9.4803 9.6395 9.6395 9.7668 9.7668 k = 0.0000 0.0000 0.4982 ( 4503 PWs) bands (ev): -26.5677 -26.5677 -26.5528 -26.5528 -9.4895 -9.4895 -9.4252 -9.4252 -8.4143 -8.4143 -8.3440 -8.3439 -8.3357 -8.3356 -8.2375 -8.2375 -2.0771 -2.0771 -0.0097 -0.0097 0.5839 0.5839 3.5337 3.5337 4.0563 4.0563 5.2671 5.2671 6.3345 6.3345 6.3394 6.3394 8.2878 8.2878 8.4634 8.4634 8.9607 8.9607 9.4108 9.4108 9.7069 9.7069 9.8759 9.8759 k = 0.0000 0.0000 0.5219 ( 4505 PWs) bands (ev): -26.5673 -26.5673 -26.5528 -26.5528 -9.4896 -9.4896 -9.4279 -9.4279 -8.4133 -8.4133 -8.3475 -8.3475 -8.3389 -8.3388 -8.2394 -8.2393 -2.0345 -2.0345 0.0123 0.0123 0.5571 0.5571 3.4553 3.4553 4.0374 4.0374 5.2121 5.2121 6.3079 6.3079 6.3296 6.3296 8.2123 8.2123 8.5370 8.5370 8.9636 8.9636 9.3593 9.3593 9.7751 9.7751 9.9913 9.9913 k = 0.0000 0.0000 0.5456 ( 4499 PWs) bands (ev): -26.5668 -26.5668 -26.5527 -26.5527 -9.4897 -9.4897 -9.4307 -9.4307 -8.4123 -8.4123 -8.3511 -8.3510 -8.3418 -8.3418 -8.2413 -8.2412 -1.9912 -1.9912 0.0358 0.0358 0.5269 0.5269 3.3775 3.3775 4.0244 4.0244 5.1600 5.1600 6.2776 6.2776 6.3224 6.3224 8.1348 8.1348 8.5422 8.5422 9.0224 9.0224 9.3270 9.3270 9.8435 9.8435 10.0490 10.0490 k = 0.0000 0.0000 0.5694 ( 4513 PWs) bands (ev): -26.5664 -26.5664 -26.5527 -26.5527 -9.4899 -9.4898 -9.4334 -9.4334 -8.4114 -8.4114 -8.3545 -8.3545 -8.3446 -8.3445 -8.2432 -8.2432 -1.9474 -1.9474 0.0608 0.0608 0.4935 0.4935 3.3002 3.3002 4.0173 4.0173 5.1112 5.1112 6.2462 6.2462 6.3159 6.3159 8.0564 8.0564 8.4917 8.4917 9.1172 9.1172 9.3214 9.3214 9.9117 9.9117 10.0747 10.0747 k = 0.0000 0.0000 0.5931 ( 4507 PWs) bands (ev): -26.5660 -26.5660 -26.5527 -26.5527 -9.4900 -9.4900 -9.4362 -9.4362 -8.4107 -8.4107 -8.3580 -8.3579 -8.3470 -8.3470 -8.2452 -8.2452 -1.9033 -1.9033 0.0873 0.0873 0.4570 0.4570 3.2234 3.2234 4.0157 4.0157 5.0658 5.0658 6.2137 6.2137 6.3100 6.3100 7.9779 7.9779 8.4131 8.4131 9.1886 9.1886 9.3744 9.3744 9.9791 9.9791 10.1070 10.1070 k = 0.0000 0.0000 0.6168 ( 4511 PWs) bands (ev): -26.5656 -26.5656 -26.5527 -26.5527 -9.4901 -9.4901 -9.4389 -9.4389 -8.4102 -8.4102 -8.3613 -8.3613 -8.3491 -8.3491 -8.2473 -8.2472 -1.8589 -1.8589 0.1153 0.1153 0.4176 0.4176 3.1470 3.1470 4.0195 4.0195 5.0240 5.0240 6.1806 6.1806 6.3048 6.3048 7.8997 7.8997 8.3219 8.3219 9.2103 9.2103 9.4971 9.4971 10.0448 10.0448 10.1457 10.1457 k = 0.0000 0.0000 0.6405 ( 4520 PWs) bands (ev): -26.5651 -26.5651 -26.5526 -26.5526 -9.4902 -9.4902 -9.4416 -9.4416 -8.4099 -8.4099 -8.3647 -8.3646 -8.3508 -8.3508 -8.2493 -8.2493 -1.8143 -1.8143 0.1449 0.1449 0.3756 0.3756 3.0709 3.0709 4.0283 4.0283 4.9858 4.9858 6.1471 6.1471 6.3003 6.3003 7.8221 7.8221 8.2250 8.2250 9.2161 9.2161 9.6487 9.6487 10.1084 10.1084 10.1906 10.1906 k = 0.0000 0.0000 0.6643 ( 4520 PWs) bands (ev): -26.5647 -26.5647 -26.5526 -26.5526 -9.4903 -9.4903 -9.4442 -9.4442 -8.4099 -8.4099 -8.3680 -8.3679 -8.3521 -8.3521 -8.2515 -8.2515 -1.7698 -1.7698 0.1761 0.1761 0.3312 0.3312 2.9952 2.9952 4.0417 4.0417 4.9514 4.9514 6.1135 6.1135 6.2966 6.2966 7.7453 7.7453 8.1261 8.1261 9.2208 9.2208 9.8114 9.8114 10.1689 10.1689 10.2415 10.2415 k = 0.0000 0.0000 0.6880 ( 4520 PWs) bands (ev): -26.5642 -26.5642 -26.5526 -26.5526 -9.4904 -9.4904 -9.4468 -9.4468 -8.4101 -8.4101 -8.3712 -8.3712 -8.3529 -8.3528 -8.2537 -8.2537 -1.7253 -1.7253 0.2088 0.2088 0.2847 0.2847 2.9198 2.9198 4.0592 4.0592 4.9208 4.9208 6.0801 6.0801 6.2938 6.2938 7.6691 7.6691 8.0271 8.0271 9.2273 9.2273 9.9799 9.9799 10.2257 10.2257 10.2981 10.2981 k = 0.0000 0.0000 0.7117 ( 4516 PWs) bands (ev): -26.5638 -26.5638 -26.5527 -26.5527 -9.4905 -9.4904 -9.4493 -9.4493 -8.4105 -8.4105 -8.3744 -8.3744 -8.3532 -8.3532 -8.2559 -8.2559 -1.6810 -1.6810 0.2352 0.2352 0.2444 0.2444 2.8446 2.8446 4.0805 4.0805 4.8940 4.8940 6.0472 6.0472 6.2918 6.2918 7.5937 7.5937 7.9292 7.9292 9.2364 9.2364 10.1522 10.1522 10.2779 10.2779 10.3602 10.3602 k = 0.0000 0.0000 0.7354 ( 4516 PWs) bands (ev): -26.5633 -26.5633 -26.5527 -26.5527 -9.4905 -9.4905 -9.4518 -9.4518 -8.4111 -8.4111 -8.3776 -8.3775 -8.3530 -8.3530 -8.2581 -8.2581 -1.6370 -1.6370 0.1863 0.1863 0.2796 0.2796 2.7697 2.7697 4.1051 4.1051 4.8710 4.8710 6.0151 6.0151 6.2909 6.2909 7.5190 7.5190 7.8331 7.8331 9.2484 9.2484 10.3201 10.3201 10.3319 10.3319 10.4274 10.4274 k = 0.0000 0.0000 0.7592 ( 4522 PWs) bands (ev): -26.5629 -26.5629 -26.5527 -26.5527 -9.4906 -9.4905 -9.4542 -9.4542 -8.4120 -8.4120 -8.3806 -8.3806 -8.3525 -8.3525 -8.2604 -8.2604 -1.5932 -1.5932 0.1352 0.1352 0.3173 0.3173 2.6950 2.6950 4.1324 4.1324 4.8518 4.8518 5.9841 5.9841 6.2909 6.2909 7.4447 7.4447 7.7394 7.7394 9.2631 9.2631 10.3641 10.3641 10.4994 10.4994 10.5062 10.5062 k = 0.0000 0.0000 0.7829 ( 4534 PWs) bands (ev): -26.5624 -26.5624 -26.5527 -26.5527 -9.4906 -9.4906 -9.4566 -9.4566 -8.4129 -8.4129 -8.3837 -8.3836 -8.3515 -8.3515 -8.2628 -8.2627 -1.5499 -1.5499 0.0832 0.0832 0.3567 0.3567 2.6204 2.6204 4.1621 4.1621 4.8361 4.8361 5.9545 5.9545 6.2920 6.2920 7.3708 7.3708 7.6485 7.6485 9.2806 9.2806 10.3974 10.3974 10.5764 10.5764 10.6856 10.6857 k = 0.0000 0.0000 0.8066 ( 4538 PWs) bands (ev): -26.5620 -26.5620 -26.5528 -26.5528 -9.4906 -9.4905 -9.4588 -9.4588 -8.4140 -8.4140 -8.3866 -8.3866 -8.3503 -8.3503 -8.2651 -8.2651 -1.5069 -1.5069 0.0305 0.0305 0.3977 0.3977 2.5460 2.5460 4.1937 4.1937 4.8238 4.8238 5.9268 5.9268 6.2942 6.2942 7.2972 7.2972 7.5605 7.5605 9.3007 9.3007 10.4229 10.4229 10.6576 10.6576 10.8671 10.8671 k = 0.0000 0.0000 0.8303 ( 4538 PWs) bands (ev): -26.5616 -26.5616 -26.5529 -26.5529 -9.4905 -9.4905 -9.4610 -9.4610 -8.4151 -8.4151 -8.3895 -8.3894 -8.3487 -8.3487 -8.2675 -8.2675 -1.4644 -1.4644 -0.0226 -0.0226 0.4405 0.4405 2.4718 2.4718 4.2269 4.2269 4.8147 4.8147 5.9013 5.9013 6.2975 6.2975 7.2238 7.2238 7.4758 7.4758 9.3233 9.3233 10.4405 10.4405 10.7428 10.7428 11.0499 11.0499 k = 0.0000 0.0000 0.8541 ( 4542 PWs) bands (ev): -26.5611 -26.5611 -26.5529 -26.5529 -9.4905 -9.4904 -9.4631 -9.4631 -8.4162 -8.4161 -8.3922 -8.3922 -8.3469 -8.3469 -8.2699 -8.2699 -1.4223 -1.4223 -0.0759 -0.0759 0.4849 0.4849 2.3978 2.3978 4.2611 4.2611 4.8084 4.8084 5.8783 5.8783 6.3021 6.3021 7.1504 7.1504 7.3943 7.3943 9.3485 9.3485 10.4500 10.4500 10.8314 10.8314 11.2338 11.2338 k = 0.0000 0.0000 0.8778 ( 4552 PWs) bands (ev): -26.5607 -26.5607 -26.5530 -26.5530 -9.4904 -9.4904 -9.4651 -9.4651 -8.4172 -8.4172 -8.3949 -8.3949 -8.3449 -8.3449 -8.2724 -8.2723 -1.3806 -1.3806 -0.1293 -0.1293 0.5309 0.5309 2.3240 2.3240 4.2961 4.2961 4.8044 4.8044 5.8583 5.8583 6.3080 6.3080 7.0769 7.0769 7.3163 7.3163 9.3760 9.3760 10.4516 10.4516 10.9231 10.9231 11.3214 11.3214 k = 0.0000 0.0000 0.9015 ( 4552 PWs) bands (ev): -26.5603 -26.5603 -26.5531 -26.5531 -9.4902 -9.4902 -9.4671 -9.4671 -8.4182 -8.4182 -8.3975 -8.3974 -8.3428 -8.3428 -8.2748 -8.2748 -1.3393 -1.3393 -0.1824 -0.1824 0.5786 0.5786 2.2503 2.2503 4.3314 4.3314 4.8024 4.8024 5.8419 5.8419 6.3153 6.3153 7.0034 7.0034 7.2416 7.2416 9.4058 9.4058 10.4455 10.4455 11.0173 11.0173 11.3027 11.3027 k = 0.0000 0.0000 0.9252 ( 4560 PWs) bands (ev): -26.5598 -26.5598 -26.5532 -26.5532 -9.4901 -9.4901 -9.4689 -9.4689 -8.4191 -8.4191 -8.3999 -8.3999 -8.3405 -8.3405 -8.2773 -8.2773 -1.2984 -1.2984 -0.2351 -0.2351 0.6279 0.6279 2.1769 2.1769 4.3669 4.3669 4.8018 4.8018 5.8293 5.8293 6.3239 6.3239 6.9298 6.9298 7.1704 7.1704 9.4379 9.4379 10.4322 10.4322 11.1133 11.1133 11.2912 11.2912 k = 0.0000 0.0000 0.9490 ( 4564 PWs) bands (ev): -26.5594 -26.5594 -26.5533 -26.5533 -9.4899 -9.4899 -9.4707 -9.4707 -8.4200 -8.4199 -8.4023 -8.4022 -8.3381 -8.3381 -8.2798 -8.2798 -1.2578 -1.2578 -0.2874 -0.2874 0.6787 0.6787 2.1038 2.1038 4.4021 4.4021 4.8021 4.8021 5.8212 5.8212 6.3340 6.3340 6.8562 6.8562 7.1025 7.1025 9.4721 9.4721 10.4124 10.4124 11.2101 11.2101 11.2876 11.2876 k = 0.0000 0.0000 0.9727 ( 4562 PWs) bands (ev): -26.5590 -26.5590 -26.5535 -26.5535 -9.4897 -9.4896 -9.4723 -9.4723 -8.4207 -8.4206 -8.4045 -8.4045 -8.3356 -8.3356 -8.2823 -8.2823 -1.2175 -1.2175 -0.3390 -0.3390 0.7312 0.7312 2.0310 2.0310 4.4369 4.4369 4.8026 4.8026 5.8180 5.8180 6.3456 6.3456 6.7827 6.7827 7.0381 7.0381 9.5084 9.5084 10.3867 10.3867 11.2923 11.2923 11.3066 11.3066 k = 0.0000 0.0000 0.9964 ( 4558 PWs) bands (ev): -26.5586 -26.5586 -26.5536 -26.5536 -9.4894 -9.4893 -9.4739 -9.4739 -8.4212 -8.4212 -8.4066 -8.4066 -8.3331 -8.3331 -8.2849 -8.2849 -1.1774 -1.1774 -0.3900 -0.3900 0.7851 0.7851 1.9585 1.9585 4.4711 4.4711 4.8027 4.8027 5.8202 5.8202 6.3588 6.3588 6.7094 6.7094 6.9770 6.9770 9.5466 9.5466 10.3559 10.3559 11.3053 11.3053 11.4011 11.4011 k = 0.0000 0.0000 1.0201 ( 4546 PWs) bands (ev): -26.5583 -26.5583 -26.5538 -26.5538 -9.4890 -9.4890 -9.4754 -9.4754 -8.4217 -8.4216 -8.4086 -8.4086 -8.3305 -8.3305 -8.2875 -8.2875 -1.1373 -1.1373 -0.4401 -0.4401 0.8406 0.8406 1.8865 1.8865 4.5043 4.5043 4.8018 4.8018 5.8280 5.8280 6.3737 6.3737 6.6366 6.6366 6.9192 6.9192 9.5866 9.5866 10.3207 10.3207 11.3265 11.3265 11.4916 11.4916 k = 0.0000 0.0000 1.0438 ( 4546 PWs) bands (ev): -26.5579 -26.5579 -26.5540 -26.5540 -9.4887 -9.4886 -9.4768 -9.4768 -8.4220 -8.4219 -8.4105 -8.4105 -8.3278 -8.3278 -8.2901 -8.2901 -1.0973 -1.0973 -0.4894 -0.4894 0.8975 0.8975 1.8149 1.8149 4.5365 4.5365 4.7995 4.7995 5.8419 5.8419 6.3900 6.3900 6.5647 6.5647 6.8647 6.8647 9.6283 9.6283 10.2819 10.2819 11.3555 11.3555 11.5752 11.5752 k = 0.0000 0.0000 1.0676 ( 4554 PWs) bands (ev): -26.5575 -26.5575 -26.5542 -26.5542 -9.4882 -9.4882 -9.4781 -9.4781 -8.4221 -8.4221 -8.4122 -8.4122 -8.3251 -8.3251 -8.2927 -8.2927 -1.0572 -1.0572 -0.5378 -0.5378 0.9558 0.9558 1.7438 1.7438 4.5675 4.5675 4.7953 4.7953 5.8620 5.8620 6.4073 6.4073 6.4946 6.4946 6.8133 6.8133 9.6716 9.6716 10.2400 10.2400 11.3918 11.3918 11.6481 11.6481 k = 0.0000 0.0000 1.0913 ( 4558 PWs) bands (ev): -26.5572 -26.5572 -26.5544 -26.5544 -9.4877 -9.4877 -9.4794 -9.4794 -8.4221 -8.4221 -8.4138 -8.4138 -8.3224 -8.3224 -8.2953 -8.2953 -1.0169 -1.0169 -0.5853 -0.5853 1.0154 1.0154 1.6733 1.6733 4.5971 4.5971 4.7888 4.7888 5.8883 5.8883 6.4104 6.4104 6.4420 6.4421 6.7650 6.7650 9.7163 9.7163 10.1956 10.1956 11.4347 11.4347 11.7061 11.7061 k = 0.0000 0.0000 1.1150 ( 4570 PWs) bands (ev): -26.5568 -26.5568 -26.5546 -26.5546 -9.4872 -9.4872 -9.4806 -9.4805 -8.4219 -8.4219 -8.4153 -8.4153 -8.3197 -8.3197 -8.2980 -8.2980 -0.9764 -0.9764 -0.6319 -0.6319 1.0764 1.0764 1.6035 1.6035 4.6252 4.6252 4.7800 4.7800 5.9206 5.9206 6.3510 6.3510 6.4556 6.4556 6.7197 6.7197 9.7623 9.7623 10.1494 10.1494 11.4829 11.4829 11.7446 11.7446 k = 0.0000 0.0000 1.1387 ( 4578 PWs) bands (ev): -26.5565 -26.5565 -26.5548 -26.5548 -9.4866 -9.4866 -9.4816 -9.4816 -8.4216 -8.4216 -8.4166 -8.4166 -8.3170 -8.3170 -8.3007 -8.3007 -0.9354 -0.9354 -0.6775 -0.6775 1.1386 1.1386 1.5344 1.5344 4.6517 4.6517 4.7687 4.7687 5.9588 5.9588 6.2856 6.2856 6.4794 6.4794 6.6774 6.6774 9.8094 9.8094 10.1019 10.1019 11.5349 11.5349 11.7608 11.7608 k = 0.0000 0.0000 1.1625 ( 4570 PWs) bands (ev): -26.5562 -26.5562 -26.5551 -26.5551 -9.4860 -9.4859 -9.4826 -9.4826 -8.4212 -8.4211 -8.4178 -8.4178 -8.3142 -8.3142 -8.3034 -8.3033 -0.8941 -0.8941 -0.7224 -0.7224 1.2019 1.2019 1.4660 1.4660 4.6764 4.6764 4.7548 4.7548 6.0024 6.0024 6.2221 6.2221 6.5060 6.5060 6.6378 6.6378 9.8574 9.8574 10.0534 10.0534 11.5888 11.5888 11.7548 11.7548 k = 0.0000 0.0000 1.1862 ( 4566 PWs) bands (ev): -26.5559 -26.5559 -26.5553 -26.5553 -9.4852 -9.4852 -9.4836 -9.4836 -8.4205 -8.4205 -8.4189 -8.4188 -8.3115 -8.3115 -8.3061 -8.3060 -0.8522 -0.8522 -0.7664 -0.7664 1.2665 1.2665 1.3986 1.3986 4.6993 4.6993 4.7386 4.7386 6.0510 6.0510 6.1614 6.1614 6.5351 6.5351 6.6010 6.6010 9.9061 9.9061 10.0043 10.0043 11.6417 11.6417 11.7296 11.7296 k = 0.0000 0.0000 1.2099 ( 4564 PWs) bands (ev): -26.5557 -26.5557 -26.5555 -26.5555 -9.4845 -9.4845 -9.4844 -9.4844 -8.4198 -8.4198 -8.4197 -8.4197 -8.3088 -8.3088 -8.3087 -8.3087 -0.8097 -0.8097 -0.8096 -0.8096 1.3320 1.3320 1.3320 1.3320 4.7200 4.7200 4.7200 4.7200 6.1042 6.1042 6.1042 6.1042 6.5667 6.5667 6.5668 6.5668 9.9551 9.9551 9.9551 9.9551 11.6902 11.6902 11.6902 11.6902 k = 0.0000 0.0000 1.2099 ( 4564 PWs) bands (ev): -26.5557 -26.5557 -26.5555 -26.5555 -9.4845 -9.4845 -9.4844 -9.4844 -8.4198 -8.4198 -8.4197 -8.4197 -8.3088 -8.3088 -8.3087 -8.3087 -0.8097 -0.8097 -0.8096 -0.8096 1.3320 1.3320 1.3320 1.3320 4.7200 4.7200 4.7200 4.7200 6.1042 6.1042 6.1042 6.1042 6.5667 6.5667 6.5668 6.5668 9.9551 9.9551 9.9551 9.9551 11.6902 11.6902 11.6902 11.6902 k =-0.0086 0.0189 1.2099 ( 4560 PWs) bands (ev): -26.5557 -26.5557 -26.5555 -26.5555 -9.4847 -9.4846 -9.4842 -9.4841 -8.4206 -8.4205 -8.4190 -8.4189 -8.3092 -8.3091 -8.3084 -8.3083 -0.8105 -0.8104 -0.8100 -0.8099 1.3329 1.3329 1.3331 1.3331 4.7198 4.7198 4.7202 4.7202 6.1012 6.1012 6.1057 6.1058 6.5666 6.5667 6.5705 6.5706 9.9539 9.9539 9.9546 9.9546 11.6923 11.6923 11.6923 11.6924 k =-0.0172 0.0378 1.2099 ( 4558 PWs) bands (ev): -26.5557 -26.5557 -26.5555 -26.5555 -9.4849 -9.4848 -9.4838 -9.4837 -8.4212 -8.4211 -8.4181 -8.4180 -8.3096 -8.3095 -8.3080 -8.3079 -0.8125 -0.8124 -0.8116 -0.8115 1.3357 1.3357 1.3362 1.3362 4.7194 4.7194 4.7203 4.7203 6.0968 6.0969 6.1058 6.1058 6.5702 6.5703 6.5778 6.5779 9.9510 9.9510 9.9524 9.9525 11.6987 11.6987 11.6988 11.6988 k =-0.0257 0.0567 1.2099 ( 4560 PWs) bands (ev): -26.5557 -26.5557 -26.5556 -26.5556 -9.4851 -9.4850 -9.4834 -9.4833 -8.4218 -8.4217 -8.4171 -8.4170 -8.3099 -8.3098 -8.3075 -8.3074 -0.8158 -0.8157 -0.8144 -0.8143 1.3406 1.3406 1.3413 1.3413 4.7190 4.7190 4.7203 4.7203 6.0914 6.0915 6.1044 6.1044 6.5775 6.5776 6.5884 6.5885 9.9466 9.9466 9.9488 9.9488 11.7091 11.7091 11.7092 11.7092 k =-0.0343 0.0756 1.2099 ( 4556 PWs) bands (ev): -26.5557 -26.5557 -26.5556 -26.5556 -9.4852 -9.4851 -9.4830 -9.4828 -8.4223 -8.4222 -8.4160 -8.4159 -8.3102 -8.3102 -8.3070 -8.3070 -0.8202 -0.8201 -0.8184 -0.8183 1.3474 1.3474 1.3484 1.3484 4.7184 4.7184 4.7202 4.7202 6.0852 6.0852 6.1017 6.1017 6.5882 6.5883 6.6020 6.6020 9.9411 9.9411 9.9439 9.9439 11.7230 11.7230 11.7232 11.7232 k =-0.0429 0.0945 1.2099 ( 4552 PWs) bands (ev): -26.5558 -26.5558 -26.5557 -26.5557 -9.4852 -9.4851 -9.4825 -9.4823 -8.4227 -8.4226 -8.4148 -8.4147 -8.3105 -8.3105 -8.3065 -8.3065 -0.8259 -0.8258 -0.8236 -0.8235 1.3563 1.3563 1.3575 1.3576 4.7177 4.7177 4.7199 4.7199 6.0785 6.0785 6.0979 6.0980 6.6022 6.6022 6.6182 6.6182 9.9348 9.9349 9.9383 9.9383 11.7399 11.7399 11.7402 11.7402 k =-0.0515 0.1135 1.2099 ( 4556 PWs) bands (ev): -26.5558 -26.5558 -26.5557 -26.5557 -9.4852 -9.4851 -9.4819 -9.4818 -8.4230 -8.4229 -8.4136 -8.4135 -8.3108 -8.3108 -8.3060 -8.3059 -0.8328 -0.8327 -0.8300 -0.8299 1.3672 1.3672 1.3687 1.3687 4.7168 4.7168 4.7194 4.7194 6.0717 6.0717 6.0935 6.0935 6.6190 6.6191 6.6367 6.6368 9.9284 9.9284 9.9324 9.9325 11.7589 11.7589 11.7594 11.7594 k =-0.0515 0.1135 1.2099 ( 4556 PWs) bands (ev): -26.5558 -26.5558 -26.5557 -26.5557 -9.4852 -9.4851 -9.4819 -9.4818 -8.4230 -8.4229 -8.4136 -8.4135 -8.3108 -8.3108 -8.3060 -8.3059 -0.8328 -0.8327 -0.8300 -0.8299 1.3672 1.3672 1.3687 1.3687 4.7168 4.7168 4.7194 4.7194 6.0717 6.0717 6.0935 6.0935 6.6190 6.6191 6.6367 6.6368 9.9284 9.9284 9.9324 9.9325 11.7589 11.7589 11.7594 11.7594 k =-0.0585 0.1289 1.1930 ( 4554 PWs) bands (ev): -26.5560 -26.5560 -26.5556 -26.5556 -9.4852 -9.4851 -9.4813 -9.4812 -8.4232 -8.4231 -8.4124 -8.4123 -8.3117 -8.3116 -8.3049 -8.3049 -0.8669 -0.8669 -0.8081 -0.8081 1.3309 1.3309 1.4267 1.4267 4.7049 4.7049 4.7286 4.7286 6.0384 6.0384 6.1194 6.1195 6.6211 6.6211 6.6682 6.6682 9.8894 9.8894 9.9619 9.9619 11.7452 11.7452 11.7999 11.7999 k =-0.0655 0.1443 1.1760 ( 4550 PWs) bands (ev): -26.5563 -26.5563 -26.5555 -26.5555 -9.4853 -9.4852 -9.4806 -9.4804 -8.4233 -8.4232 -8.4111 -8.4110 -8.3131 -8.3131 -8.3032 -8.3032 -0.9022 -0.9021 -0.7860 -0.7860 1.2953 1.2953 1.4875 1.4875 4.6918 4.6918 4.7363 4.7363 5.9998 5.9998 6.1554 6.1554 6.6203 6.6204 6.7073 6.7073 9.8491 9.8491 9.9942 9.9942 11.7259 11.7259 11.8307 11.8307 k =-0.0725 0.1598 1.1590 ( 4552 PWs) bands (ev): -26.5566 -26.5566 -26.5554 -26.5554 -9.4853 -9.4852 -9.4797 -9.4796 -8.4233 -8.4232 -8.4097 -8.4096 -8.3147 -8.3147 -8.3013 -8.3012 -0.9371 -0.9371 -0.7650 -0.7650 1.2611 1.2611 1.5505 1.5505 4.6786 4.6786 4.7412 4.7412 5.9640 5.9640 6.1935 6.1935 6.6223 6.6223 6.7479 6.7479 9.8099 9.8099 10.0274 10.0274 11.6973 11.6973 11.8480 11.8480 k =-0.0795 0.1752 1.1421 ( 4549 PWs) bands (ev): -26.5569 -26.5569 -26.5553 -26.5553 -9.4853 -9.4852 -9.4788 -9.4787 -8.4232 -8.4232 -8.4081 -8.4081 -8.3164 -8.3163 -8.2992 -8.2992 -0.9716 -0.9716 -0.7452 -0.7452 1.2283 1.2283 1.6155 1.6155 4.6656 4.6656 4.7430 4.7430 5.9319 5.9319 6.2335 6.2335 6.6272 6.6273 6.7891 6.7891 9.7725 9.7725 10.0618 10.0618 11.6509 11.6509 11.8491 11.8491 k =-0.0865 0.1907 1.1251 ( 4549 PWs) bands (ev): -26.5572 -26.5572 -26.5552 -26.5552 -9.4853 -9.4852 -9.4778 -9.4777 -8.4231 -8.4230 -8.4065 -8.4064 -8.3180 -8.3180 -8.2971 -8.2971 -1.0055 -1.0055 -0.7265 -0.7265 1.1968 1.1968 1.6825 1.6825 4.6529 4.6529 4.7415 4.7415 5.9038 5.9038 6.2753 6.2753 6.6352 6.6352 6.8303 6.8303 9.7375 9.7375 10.0973 10.0973 11.5736 11.5736 11.8329 11.8329 k =-0.0935 0.2061 1.1082 ( 4540 PWs) bands (ev): -26.5574 -26.5574 -26.5551 -26.5551 -9.4852 -9.4851 -9.4768 -9.4767 -8.4229 -8.4228 -8.4048 -8.4047 -8.3196 -8.3195 -8.2950 -8.2950 -1.0390 -1.0390 -0.7089 -0.7089 1.1667 1.1667 1.7514 1.7514 4.6408 4.6408 4.7366 4.7366 5.8799 5.8799 6.3187 6.3187 6.6461 6.6461 6.8710 6.8710 9.7057 9.7057 10.1338 10.1338 11.4564 11.4564 11.8000 11.8000 k =-0.1005 0.2216 1.0912 ( 4539 PWs) bands (ev): -26.5578 -26.5578 -26.5551 -26.5551 -9.4851 -9.4850 -9.4757 -9.4756 -8.4226 -8.4226 -8.4031 -8.4030 -8.3211 -8.3210 -8.2928 -8.2928 -1.0717 -1.0717 -0.6926 -0.6926 1.1378 1.1378 1.8221 1.8221 4.6294 4.6294 4.7283 4.7283 5.8605 5.8605 6.3638 6.3638 6.6598 6.6598 6.9106 6.9106 9.6776 9.6776 10.1714 10.1714 11.3058 11.3058 11.7527 11.7527 k =-0.1076 0.2370 1.0742 ( 4535 PWs) bands (ev): -26.5581 -26.5581 -26.5550 -26.5550 -9.4849 -9.4848 -9.4747 -9.4746 -8.4223 -8.4222 -8.4013 -8.4012 -8.3224 -8.3224 -8.2906 -8.2906 -1.1037 -1.1037 -0.6773 -0.6773 1.1101 1.1101 1.8944 1.8944 4.6189 4.6189 4.7167 4.7167 5.8454 5.8454 6.4105 6.4105 6.6762 6.6762 6.9486 6.9486 9.6539 9.6539 10.2099 10.2099 11.1351 11.1351 11.6937 11.6937 k =-0.1146 0.2524 1.0573 ( 4543 PWs) bands (ev): -26.5584 -26.5584 -26.5550 -26.5550 -9.4846 -9.4846 -9.4736 -9.4735 -8.4219 -8.4218 -8.3996 -8.3995 -8.3237 -8.3237 -8.2884 -8.2883 -1.1349 -1.1349 -0.6633 -0.6633 1.0836 1.0836 1.9681 1.9681 4.6094 4.6094 4.7020 4.7020 5.8347 5.8347 6.4587 6.4587 6.6953 6.6954 6.9847 6.9847 9.6350 9.6350 10.2491 10.2491 10.9547 10.9547 11.6259 11.6259 k =-0.1216 0.2679 1.0403 ( 4535 PWs) bands (ev): -26.5587 -26.5587 -26.5550 -26.5550 -9.4844 -9.4843 -9.4725 -9.4725 -8.4215 -8.4214 -8.3979 -8.3978 -8.3248 -8.3248 -8.2861 -8.2861 -1.1652 -1.1652 -0.6503 -0.6503 1.0582 1.0582 2.0431 2.0431 4.6011 4.6011 4.6844 4.6844 5.8279 5.8279 6.5082 6.5082 6.7170 6.7170 7.0183 7.0183 9.6211 9.6211 10.2887 10.2887 10.7706 10.7706 11.5517 11.5517 k =-0.1286 0.2833 1.0234 ( 4529 PWs) bands (ev): -26.5590 -26.5590 -26.5550 -26.5550 -9.4841 -9.4840 -9.4715 -9.4714 -8.4210 -8.4210 -8.3963 -8.3962 -8.3257 -8.3257 -8.2838 -8.2837 -1.1945 -1.1945 -0.6384 -0.6384 1.0339 1.0339 2.1191 2.1191 4.5942 4.5942 4.6645 4.6645 5.8250 5.8250 6.5588 6.5588 6.7411 6.7411 7.0492 7.0492 9.6119 9.6119 10.3282 10.3282 10.5868 10.5868 11.4734 11.4734 k =-0.1356 0.2988 1.0064 ( 4531 PWs) bands (ev): -26.5593 -26.5593 -26.5550 -26.5550 -9.4837 -9.4837 -9.4705 -9.4704 -8.4206 -8.4205 -8.3948 -8.3947 -8.3265 -8.3265 -8.2814 -8.2814 -1.2229 -1.2229 -0.6276 -0.6276 1.0108 1.0108 2.1957 2.1957 4.5889 4.5889 4.6425 4.6425 5.8253 5.8253 6.6103 6.6103 6.7675 6.7675 7.0772 7.0772 9.6065 9.6065 10.3661 10.3661 10.4079 10.4079 11.3926 11.3926 k =-0.1426 0.3142 0.9895 ( 4525 PWs) bands (ev): -26.5596 -26.5596 -26.5550 -26.5550 -9.4834 -9.4833 -9.4694 -9.4694 -8.4201 -8.4201 -8.3934 -8.3934 -8.3270 -8.3270 -8.2791 -8.2790 -1.2502 -1.2502 -0.6178 -0.6177 0.9887 0.9887 2.2728 2.2728 4.5853 4.5853 4.6190 4.6190 5.8286 5.8286 6.6622 6.6622 6.7961 6.7961 7.1024 7.1024 9.6020 9.6020 10.2342 10.2342 10.4059 10.4059 11.3111 11.3111 k =-0.1496 0.3296 0.9725 ( 4525 PWs) bands (ev): -26.5599 -26.5599 -26.5550 -26.5550 -9.4830 -9.4829 -9.4685 -9.4684 -8.4196 -8.4196 -8.3922 -8.3922 -8.3273 -8.3273 -8.2767 -8.2767 -1.2764 -1.2764 -0.6089 -0.6089 0.9677 0.9677 2.3498 2.3498 4.5834 4.5834 4.5946 4.5946 5.8344 5.8344 6.7141 6.7141 6.8267 6.8267 7.1249 7.1249 9.5908 9.5908 10.0792 10.0792 10.4414 10.4414 11.2307 11.2307 k =-0.1566 0.3451 0.9555 ( 4517 PWs) bands (ev): -26.5602 -26.5602 -26.5550 -26.5550 -9.4826 -9.4826 -9.4675 -9.4675 -8.4192 -8.4192 -8.3912 -8.3911 -8.3274 -8.3274 -8.2743 -8.2743 -1.3014 -1.3014 -0.6009 -0.6009 0.9478 0.9478 2.4264 2.4264 4.5683 4.5683 4.5850 4.5850 5.8422 5.8422 6.7651 6.7651 6.8592 6.8592 7.1454 7.1454 9.5560 9.5560 9.9589 9.9589 10.4733 10.4733 11.1536 11.1536 k =-0.1636 0.3605 0.9386 ( 4529 PWs) bands (ev): -26.5605 -26.5605 -26.5550 -26.5550 -9.4823 -9.4822 -9.4666 -9.4666 -8.4187 -8.4187 -8.3903 -8.3903 -8.3272 -8.3272 -8.2719 -8.2719 -1.3252 -1.3252 -0.5938 -0.5938 0.9289 0.9289 2.5022 2.5022 4.5427 4.5427 4.5879 4.5879 5.8516 5.8516 6.8142 6.8142 6.8934 6.8934 7.1647 7.1647 9.4751 9.4751 9.8961 9.8961 10.4989 10.4989 11.0825 11.0825 k =-0.1706 0.3760 0.9216 ( 4527 PWs) bands (ev): -26.5608 -26.5608 -26.5551 -26.5551 -9.4819 -9.4818 -9.4658 -9.4657 -8.4183 -8.4183 -8.3896 -8.3896 -8.3268 -8.3268 -8.2696 -8.2696 -1.3477 -1.3477 -0.5874 -0.5874 0.9110 0.9110 2.5767 2.5767 4.5171 4.5171 4.5935 4.5935 5.8623 5.8623 6.8601 6.8601 6.9290 6.9290 7.1842 7.1842 9.3517 9.3517 9.8879 9.8879 10.5145 10.5145 11.0215 11.0215 k =-0.1776 0.3914 0.9047 ( 4531 PWs) bands (ev): -26.5611 -26.5611 -26.5551 -26.5551 -9.4815 -9.4814 -9.4649 -9.4649 -8.4179 -8.4179 -8.3892 -8.3891 -8.3262 -8.3262 -8.2673 -8.2673 -1.3690 -1.3690 -0.5819 -0.5819 0.8942 0.8942 2.6492 2.6492 4.4918 4.4918 4.6020 4.6020 5.8739 5.8739 6.9008 6.9008 6.9657 6.9657 7.2056 7.2056 9.2078 9.2078 9.9125 9.9125 10.5156 10.5156 10.9757 10.9757 k =-0.1846 0.4069 0.8877 ( 4529 PWs) bands (ev): -26.5613 -26.5613 -26.5551 -26.5551 -9.4811 -9.4810 -9.4642 -9.4641 -8.4176 -8.4176 -8.3889 -8.3888 -8.3255 -8.3254 -8.2650 -8.2650 -1.3889 -1.3889 -0.5770 -0.5770 0.8785 0.8785 2.7194 2.7194 4.4672 4.4672 4.6134 4.6134 5.8859 5.8859 6.9344 6.9344 7.0032 7.0032 7.2310 7.2310 9.0582 9.0582 9.9554 9.9554 10.4981 10.4981 10.9493 10.9493 k =-0.1916 0.4223 0.8708 ( 4521 PWs) bands (ev): -26.5616 -26.5616 -26.5552 -26.5552 -9.4807 -9.4807 -9.4634 -9.4634 -8.4172 -8.4172 -8.3887 -8.3887 -8.3245 -8.3245 -8.2629 -8.2628 -1.4075 -1.4075 -0.5727 -0.5727 0.8639 0.8639 2.7865 2.7865 4.4435 4.4435 4.6277 4.6277 5.8982 5.8982 6.9592 6.9592 7.0413 7.0414 7.2618 7.2618 8.9093 8.9093 10.0101 10.0101 10.4625 10.4625 10.9423 10.9423 k =-0.1987 0.4377 0.8538 ( 4519 PWs) bands (ev): -26.5618 -26.5618 -26.5552 -26.5552 -9.4804 -9.4803 -9.4628 -9.4627 -8.4169 -8.4169 -8.3887 -8.3887 -8.3235 -8.3234 -8.2608 -8.2607 -1.4247 -1.4247 -0.5690 -0.5690 0.8503 0.8503 2.8501 2.8501 4.4211 4.4211 4.6451 4.6451 5.9104 5.9104 6.9748 6.9748 7.0797 7.0797 7.2983 7.2983 8.7646 8.7646 10.0733 10.0733 10.4131 10.4131 10.9505 10.9505 k =-0.2057 0.4532 0.8368 ( 4517 PWs) bands (ev): -26.5620 -26.5620 -26.5553 -26.5553 -9.4801 -9.4800 -9.4622 -9.4621 -8.4167 -8.4167 -8.3888 -8.3887 -8.3224 -8.3223 -8.2588 -8.2588 -1.4405 -1.4405 -0.5658 -0.5658 0.8379 0.8379 2.9096 2.9096 4.4000 4.4000 4.6653 4.6653 5.9223 5.9223 6.9821 6.9821 7.1178 7.1178 7.3396 7.3396 8.6261 8.6261 10.1429 10.1429 10.3559 10.3559 10.9685 10.9685 k =-0.2127 0.4686 0.8199 ( 4519 PWs) bands (ev): -26.5622 -26.5622 -26.5553 -26.5553 -9.4798 -9.4797 -9.4616 -9.4616 -8.4164 -8.4164 -8.3890 -8.3889 -8.3213 -8.3212 -8.2569 -8.2569 -1.4549 -1.4549 -0.5631 -0.5631 0.8265 0.8265 2.9645 2.9645 4.3805 4.3805 4.6879 4.6879 5.9337 5.9337 6.9827 6.9827 7.1552 7.1552 7.3842 7.3842 8.4951 8.4951 10.2170 10.2170 10.2960 10.2960 10.9919 10.9919 k =-0.2197 0.4841 0.8029 ( 4527 PWs) bands (ev): -26.5624 -26.5624 -26.5553 -26.5553 -9.4795 -9.4794 -9.4611 -9.4611 -8.4162 -8.4162 -8.3892 -8.3891 -8.3201 -8.3201 -8.2552 -8.2552 -1.4678 -1.4678 -0.5608 -0.5608 0.8163 0.8163 3.0143 3.0143 4.3627 4.3627 4.7126 4.7126 5.9444 5.9444 6.9780 6.9780 7.1912 7.1912 7.4302 7.4302 8.3731 8.3731 10.2339 10.2339 10.2968 10.2968 11.0177 11.0177 k =-0.2267 0.4995 0.7860 ( 4532 PWs) bands (ev): -26.5625 -26.5625 -26.5554 -26.5554 -9.4792 -9.4792 -9.4607 -9.4606 -8.4161 -8.4160 -8.3894 -8.3893 -8.3191 -8.3190 -8.2536 -8.2536 -1.4792 -1.4792 -0.5589 -0.5589 0.8073 0.8073 3.0587 3.0587 4.3467 4.3467 4.7387 4.7387 5.9542 5.9542 6.9696 6.9696 7.2253 7.2253 7.4764 7.4764 8.2608 8.2608 10.1770 10.1770 10.3754 10.3754 11.0439 11.0439 k =-0.2337 0.5150 0.7690 ( 4530 PWs) bands (ev): -26.5627 -26.5627 -26.5554 -26.5554 -9.4790 -9.4790 -9.4603 -9.4603 -8.4159 -8.4159 -8.3897 -8.3896 -8.3180 -8.3180 -8.2522 -8.2522 -1.4892 -1.4892 -0.5573 -0.5573 0.7994 0.7994 3.0974 3.0974 4.3326 4.3326 4.7650 4.7650 5.9629 5.9629 6.9587 6.9587 7.2568 7.2568 7.5216 7.5216 8.1590 8.1590 10.1238 10.1238 10.4535 10.4535 11.0690 11.0690 k =-0.2407 0.5304 0.7520 ( 4524 PWs) bands (ev): -26.5628 -26.5628 -26.5554 -26.5554 -9.4788 -9.4788 -9.4600 -9.4599 -8.4158 -8.4158 -8.3899 -8.3898 -8.3171 -8.3171 -8.2510 -8.2510 -1.4976 -1.4976 -0.5560 -0.5560 0.7927 0.7927 3.1303 3.1303 4.3206 4.3206 4.7906 4.7906 5.9706 5.9706 6.9465 6.9465 7.2849 7.2849 7.5652 7.5652 8.0684 8.0684 10.0764 10.0764 10.5271 10.5271 11.0919 11.0919 k =-0.2477 0.5458 0.7351 ( 4526 PWs) bands (ev): -26.5629 -26.5629 -26.5554 -26.5554 -9.4787 -9.4786 -9.4597 -9.4597 -8.4157 -8.4157 -8.3901 -8.3900 -8.3164 -8.3163 -8.2500 -8.2500 -1.5045 -1.5045 -0.5551 -0.5550 0.7872 0.7872 3.1572 3.1572 4.3106 4.3106 4.8142 4.8142 5.9769 5.9769 6.9342 6.9342 7.3091 7.3091 7.6068 7.6068 7.9888 7.9888 10.0358 10.0358 10.5917 10.5917 11.1117 11.1118 k =-0.2547 0.5613 0.7181 ( 4523 PWs) bands (ev): -26.5630 -26.5630 -26.5555 -26.5555 -9.4786 -9.4785 -9.4595 -9.4595 -8.4157 -8.4156 -8.3903 -8.3902 -8.3158 -8.3157 -8.2492 -8.2492 -1.5099 -1.5099 -0.5543 -0.5543 0.7829 0.7829 3.1781 3.1781 4.3029 4.3029 4.8343 4.8343 5.9819 5.9819 6.9229 6.9229 7.3287 7.3287 7.6466 7.6466 7.9201 7.9201 10.0032 10.0032 10.6422 10.6422 11.1281 11.1281 k =-0.2617 0.5767 0.7012 ( 4521 PWs) bands (ev): -26.5630 -26.5630 -26.5555 -26.5555 -9.4785 -9.4784 -9.4594 -9.4593 -8.4156 -8.4156 -8.3904 -8.3903 -8.3153 -8.3152 -8.2486 -8.2486 -1.5138 -1.5138 -0.5538 -0.5538 0.7799 0.7799 3.1930 3.1930 4.2973 4.2973 4.8498 4.8498 5.9856 5.9856 6.9138 6.9138 7.3432 7.3432 7.6853 7.6853 7.8611 7.8611 9.9794 9.9794 10.6758 10.6758 11.1407 11.1407 k =-0.2687 0.5922 0.6842 ( 4523 PWs) bands (ev): -26.5631 -26.5631 -26.5555 -26.5555 -9.4784 -9.4784 -9.4593 -9.4593 -8.4156 -8.4155 -8.3905 -8.3904 -8.3150 -8.3150 -8.2483 -8.2483 -1.5161 -1.5161 -0.5535 -0.5535 0.7780 0.7780 3.2020 3.2020 4.2939 4.2939 4.8596 4.8596 5.9878 5.9878 6.9078 6.9078 7.3520 7.3520 7.7238 7.7238 7.8104 7.8104 9.9648 9.9648 10.6935 10.6935 11.1486 11.1486 k =-0.2757 0.6076 0.6673 ( 4525 PWs) bands (ev): -26.5631 -26.5631 -26.5555 -26.5555 -9.4784 -9.4783 -9.4593 -9.4592 -8.4156 -8.4155 -8.3905 -8.3904 -8.3149 -8.3149 -8.2482 -8.2482 -1.5169 -1.5169 -0.5534 -0.5534 0.7774 0.7774 3.2049 3.2049 4.2928 4.2928 4.8629 4.8629 5.9885 5.9885 6.9058 6.9058 7.3550 7.3550 7.7580 7.7580 7.7723 7.7723 9.9599 9.9599 10.6989 10.6989 11.1513 11.1513 k =-0.2757 0.6076 0.6673 ( 4525 PWs) bands (ev): -26.5631 -26.5631 -26.5555 -26.5555 -9.4784 -9.4783 -9.4593 -9.4592 -8.4156 -8.4155 -8.3905 -8.3904 -8.3149 -8.3149 -8.2482 -8.2482 -1.5169 -1.5169 -0.5534 -0.5534 0.7774 0.7774 3.2049 3.2049 4.2928 4.2928 4.8629 4.8629 5.9885 5.9885 6.9058 6.9058 7.3550 7.3550 7.7580 7.7580 7.7723 7.7723 9.9599 9.9599 10.6989 10.6989 11.1513 11.1513 k =-0.2689 0.5924 0.6506 ( 4525 PWs) bands (ev): -26.5632 -26.5632 -26.5552 -26.5552 -9.4795 -9.4795 -9.4590 -9.4590 -8.4158 -8.4157 -8.3924 -8.3923 -8.3157 -8.3156 -8.2467 -8.2467 -1.5240 -1.5240 -0.4834 -0.4834 0.7040 0.7040 3.1839 3.1839 4.3086 4.3086 4.8610 4.8610 5.9980 5.9980 6.9248 6.9248 7.3065 7.3065 7.7572 7.7572 7.8401 7.8401 9.9033 9.9033 10.6451 10.6451 11.0932 11.0932 k =-0.2620 0.5772 0.6339 ( 4509 PWs) bands (ev): -26.5634 -26.5634 -26.5550 -26.5550 -9.4806 -9.4806 -9.4585 -9.4585 -8.4158 -8.4157 -8.3939 -8.3938 -8.3165 -8.3164 -8.2453 -8.2453 -1.5342 -1.5342 -0.4129 -0.4129 0.6344 0.6344 3.1625 3.1625 4.3273 4.3273 4.8597 4.8597 6.0096 6.0096 6.9486 6.9486 7.2598 7.2598 7.7515 7.7515 7.9132 7.9132 9.8451 9.8451 10.5909 10.5909 11.0380 11.0380 k =-0.2551 0.5620 0.6172 ( 4511 PWs) bands (ev): -26.5636 -26.5636 -26.5548 -26.5548 -9.4816 -9.4816 -9.4579 -9.4578 -8.4157 -8.4156 -8.3950 -8.3949 -8.3173 -8.3173 -8.2439 -8.2439 -1.5474 -1.5474 -0.3420 -0.3420 0.5685 0.5685 3.1409 3.1409 4.3489 4.3489 4.8593 4.8593 6.0231 6.0231 6.9767 6.9767 7.2149 7.2149 7.7443 7.7443 7.9881 7.9881 9.7862 9.7862 10.5378 10.5378 10.9861 10.9861 k =-0.2482 0.5468 0.6005 ( 4511 PWs) bands (ev): -26.5638 -26.5638 -26.5546 -26.5546 -9.4825 -9.4825 -9.4570 -9.4570 -8.4155 -8.4155 -8.3958 -8.3956 -8.3181 -8.3181 -8.2425 -8.2425 -1.5637 -1.5637 -0.2710 -0.2710 0.5064 0.5064 3.1198 3.1198 4.3735 4.3735 4.8597 4.8597 6.0383 6.0383 7.0089 7.0089 7.1717 7.1717 7.7360 7.7360 8.0645 8.0645 9.7276 9.7276 10.4868 10.4868 10.9375 10.9375 k =-0.2413 0.5317 0.5838 ( 4519 PWs) bands (ev): -26.5640 -26.5640 -26.5544 -26.5544 -9.4834 -9.4834 -9.4559 -9.4559 -8.4154 -8.4153 -8.3960 -8.3958 -8.3190 -8.3189 -8.2412 -8.2412 -1.5831 -1.5831 -0.2001 -0.2001 0.4483 0.4483 3.0995 3.0995 4.4012 4.4012 4.8609 4.8609 6.0552 6.0552 7.0446 7.0446 7.1303 7.1303 7.7271 7.7271 8.1423 8.1423 9.6698 9.6698 10.4386 10.4386 10.8924 10.8924 k =-0.2344 0.5165 0.5672 ( 4525 PWs) bands (ev): -26.5642 -26.5642 -26.5542 -26.5542 -9.4842 -9.4842 -9.4547 -9.4546 -8.4153 -8.4152 -8.3956 -8.3955 -8.3197 -8.3197 -8.2399 -8.2399 -1.6055 -1.6055 -0.1296 -0.1296 0.3939 0.3939 3.0806 3.0806 4.4320 4.4320 4.8628 4.8628 6.0736 6.0736 7.0827 7.0827 7.0906 7.0906 7.7181 7.7181 8.2213 8.2213 9.6133 9.6133 10.3936 10.3936 10.8508 10.8508 k =-0.2275 0.5013 0.5505 ( 4521 PWs) bands (ev): -26.5645 -26.5645 -26.5540 -26.5540 -9.4849 -9.4849 -9.4532 -9.4532 -8.4153 -8.4152 -8.3948 -8.3946 -8.3205 -8.3204 -8.2387 -8.2386 -1.6308 -1.6308 -0.0600 -0.0600 0.3433 0.3433 3.0636 3.0636 4.4659 4.4659 4.8655 4.8655 6.0932 6.0932 7.0521 7.0521 7.1228 7.1228 7.7099 7.7099 8.3015 8.3015 9.5586 9.5586 10.3520 10.3520 10.8129 10.8129 k =-0.2206 0.4861 0.5338 ( 4517 PWs) bands (ev): -26.5647 -26.5647 -26.5539 -26.5539 -9.4856 -9.4856 -9.4516 -9.4516 -8.4154 -8.4154 -8.3933 -8.3932 -8.3212 -8.3211 -8.2374 -8.2374 -1.6589 -1.6589 0.0086 0.0086 0.2964 0.2965 3.0491 3.0491 4.5030 4.5030 4.8689 4.8689 6.1140 6.1140 7.0155 7.0155 7.1625 7.1625 7.7041 7.7041 8.3826 8.3826 9.5059 9.5059 10.3140 10.3140 10.7788 10.7788 k =-0.2137 0.4709 0.5171 ( 4505 PWs) bands (ev): -26.5650 -26.5650 -26.5537 -26.5537 -9.4862 -9.4861 -9.4498 -9.4498 -8.4156 -8.4156 -8.3914 -8.3913 -8.3218 -8.3217 -8.2363 -8.2363 -1.6896 -1.6896 0.0755 0.0755 0.2532 0.2532 3.0376 3.0376 4.5432 4.5432 4.8731 4.8731 6.1358 6.1358 6.9803 6.9803 7.2000 7.2000 7.7027 7.7027 8.4645 8.4645 9.4556 9.4556 10.2797 10.2797 10.7484 10.7484 k =-0.2068 0.4557 0.5004 ( 4503 PWs) bands (ev): -26.5653 -26.5653 -26.5536 -26.5536 -9.4867 -9.4867 -9.4478 -9.4478 -8.4159 -8.4159 -8.3890 -8.3888 -8.3224 -8.3223 -8.2352 -8.2351 -1.7227 -1.7227 0.1401 0.1401 0.2137 0.2137 3.0298 3.0298 4.5865 4.5865 4.8779 4.8779 6.1584 6.1584 6.9466 6.9466 7.2325 7.2325 7.7083 7.7083 8.5470 8.5470 9.4078 9.4078 10.2491 10.2491 10.7218 10.7218 k =-0.1999 0.4405 0.4838 ( 4511 PWs) bands (ev): -26.5656 -26.5656 -26.5535 -26.5535 -9.4871 -9.4871 -9.4457 -9.4457 -8.4163 -8.4162 -8.3861 -8.3860 -8.3228 -8.3227 -8.2341 -8.2341 -1.7578 -1.7578 0.1730 0.1730 0.2067 0.2067 3.0262 3.0262 4.6329 4.6329 4.8833 4.8833 6.1816 6.1816 6.9142 6.9142 7.2568 7.2568 7.7239 7.7239 8.6299 8.6299 9.3627 9.3627 10.2221 10.2221 10.6991 10.6991 k =-0.1930 0.4253 0.4671 ( 4519 PWs) bands (ev): -26.5659 -26.5659 -26.5534 -26.5534 -9.4875 -9.4875 -9.4435 -9.4435 -8.4166 -8.4166 -8.3829 -8.3828 -8.3231 -8.3230 -8.2331 -8.2331 -1.7948 -1.7948 0.1408 0.1408 0.2650 0.2650 3.0275 3.0275 4.6824 4.6824 4.8893 4.8893 6.2052 6.2052 6.8833 6.8833 7.2706 7.2706 7.7518 7.7518 8.7131 8.7131 9.3206 9.3206 10.1987 10.1987 10.6802 10.6802 k =-0.1861 0.4101 0.4504 ( 4527 PWs) bands (ev): -26.5662 -26.5662 -26.5533 -26.5533 -9.4878 -9.4878 -9.4412 -9.4411 -8.4170 -8.4169 -8.3794 -8.3793 -8.3233 -8.3232 -8.2321 -8.2321 -1.8333 -1.8333 0.1098 0.1098 0.3217 0.3217 3.0342 3.0342 4.7348 4.7348 4.8959 4.8959 6.2291 6.2291 6.8537 6.8537 7.2731 7.2731 7.7927 7.7927 8.7963 8.7963 9.2815 9.2815 10.1787 10.1787 10.6654 10.6654 k =-0.1792 0.3949 0.4337 ( 4523 PWs) bands (ev): -26.5665 -26.5665 -26.5533 -26.5533 -9.4881 -9.4881 -9.4387 -9.4387 -8.4173 -8.4173 -8.3756 -8.3755 -8.3234 -8.3233 -8.2312 -8.2312 -1.8731 -1.8731 0.0810 0.0810 0.3751 0.3751 3.0470 3.0470 4.7901 4.7901 4.9030 4.9030 6.2529 6.2529 6.8253 6.8253 7.2652 7.2652 7.8454 7.8454 8.8794 8.8794 9.2455 9.2455 10.1620 10.1620 10.6544 10.6544 k =-0.1723 0.3798 0.4170 ( 4523 PWs) bands (ev): -26.5668 -26.5668 -26.5532 -26.5532 -9.4883 -9.4883 -9.4361 -9.4361 -8.4177 -8.4177 -8.3715 -8.3714 -8.3233 -8.3232 -8.2303 -8.2303 -1.9137 -1.9137 0.0545 0.0545 0.4245 0.4245 3.0663 3.0663 4.8482 4.8482 4.9105 4.9105 6.2766 6.2766 6.7982 6.7982 7.2488 7.2488 7.9081 7.9081 8.9621 8.9621 9.2127 9.2127 10.1484 10.1484 10.6474 10.6474 k =-0.1654 0.3646 0.4004 ( 4519 PWs) bands (ev): -26.5671 -26.5671 -26.5532 -26.5532 -9.4885 -9.4885 -9.4335 -9.4335 -8.4181 -8.4181 -8.3672 -8.3671 -8.3230 -8.3229 -8.2295 -8.2295 -1.9551 -1.9551 0.0300 0.0300 0.4698 0.4698 3.0924 3.0924 4.9089 4.9089 4.9185 4.9185 6.3000 6.3000 6.7723 6.7723 7.2260 7.2260 7.9786 7.9786 9.0443 9.0443 9.1831 9.1831 10.1377 10.1377 10.6443 10.6443 k =-0.1586 0.3494 0.3837 ( 4515 PWs) bands (ev): -26.5675 -26.5675 -26.5531 -26.5531 -9.4886 -9.4886 -9.4309 -9.4309 -8.4186 -8.4186 -8.3628 -8.3627 -8.3225 -8.3224 -8.2287 -8.2287 -1.9967 -1.9967 0.0075 0.0075 0.5106 0.5106 3.1258 3.1258 4.9264 4.9264 4.9725 4.9725 6.3228 6.3228 6.7476 6.7476 7.1983 7.1983 8.0552 8.0552 9.1255 9.1255 9.1569 9.1569 10.1297 10.1297 10.6029 10.6029 k =-0.1517 0.3342 0.3670 ( 4525 PWs) bands (ev): -26.5678 -26.5678 -26.5531 -26.5531 -9.4887 -9.4887 -9.4282 -9.4282 -8.4190 -8.4190 -8.3582 -8.3581 -8.3219 -8.3218 -8.2279 -8.2279 -2.0385 -2.0385 -0.0134 -0.0134 0.5469 0.5469 3.1667 3.1667 4.9348 4.9348 5.0383 5.0383 6.3449 6.3449 6.7240 6.7240 7.1669 7.1669 8.1363 8.1363 9.1328 9.1328 9.2068 9.2068 10.1239 10.1239 10.4244 10.4244 k =-0.1448 0.3190 0.3503 ( 4519 PWs) bands (ev): -26.5681 -26.5681 -26.5531 -26.5531 -9.4887 -9.4887 -9.4254 -9.4254 -8.4195 -8.4195 -8.3534 -8.3533 -8.3210 -8.3209 -8.2272 -8.2272 -2.0801 -2.0801 -0.0327 -0.0327 0.5785 0.5785 3.2152 3.2152 4.9434 4.9434 5.1064 5.1064 6.3661 6.3661 6.7016 6.7016 7.1328 7.1328 8.2209 8.2209 9.1125 9.1125 9.2866 9.2866 10.1191 10.1191 10.2450 10.2450 k =-0.1379 0.3038 0.3336 ( 4519 PWs) bands (ev): -26.5684 -26.5684 -26.5531 -26.5531 -9.4888 -9.4888 -9.4227 -9.4227 -8.4200 -8.4200 -8.3487 -8.3486 -8.3200 -8.3199 -8.2266 -8.2265 -2.1212 -2.1212 -0.0505 -0.0505 0.6056 0.6056 3.2713 3.2713 4.9522 4.9522 5.1765 5.1765 6.3863 6.3863 6.6802 6.6802 7.0966 7.0966 8.3078 8.3078 9.0948 9.0948 9.3654 9.3654 10.0523 10.0523 10.1288 10.1288 k =-0.1310 0.2886 0.3169 ( 4527 PWs) bands (ev): -26.5688 -26.5688 -26.5531 -26.5531 -9.4888 -9.4888 -9.4200 -9.4200 -8.4206 -8.4206 -8.3439 -8.3438 -8.3187 -8.3186 -8.2259 -8.2259 -2.1616 -2.1616 -0.0671 -0.0671 0.6282 0.6282 3.3348 3.3348 4.9609 4.9609 5.2485 5.2485 6.4053 6.4053 6.6600 6.6600 7.0588 7.0588 8.3961 8.3961 9.0797 9.0797 9.4434 9.4434 9.8741 9.8741 10.1264 10.1264 k =-0.1241 0.2734 0.3003 ( 4525 PWs) bands (ev): -26.5691 -26.5691 -26.5531 -26.5531 -9.4887 -9.4887 -9.4173 -9.4173 -8.4211 -8.4211 -8.3391 -8.3390 -8.3173 -8.3172 -8.2253 -8.2253 -2.2012 -2.2012 -0.0825 -0.0825 0.6467 0.6467 3.4055 3.4055 4.9697 4.9697 5.3220 5.3220 6.4230 6.4230 6.6408 6.6408 7.0197 7.0197 8.4846 8.4846 9.0667 9.0667 9.5203 9.5203 9.6933 9.6933 10.1304 10.1304 k =-0.1172 0.2582 0.2836 ( 4521 PWs) bands (ev): -26.5694 -26.5694 -26.5531 -26.5531 -9.4887 -9.4887 -9.4147 -9.4147 -8.4218 -8.4217 -8.3344 -8.3343 -8.3157 -8.3156 -8.2247 -8.2247 -2.2397 -2.2397 -0.0968 -0.0968 0.6614 0.6614 3.4831 3.4831 4.9783 4.9783 5.3970 5.3970 6.4394 6.4394 6.6226 6.6226 6.9796 6.9796 8.5718 8.5718 9.0556 9.0556 9.5137 9.5137 9.5976 9.5976 10.1378 10.1378 k =-0.1103 0.2430 0.2669 ( 4517 PWs) bands (ev): -26.5697 -26.5697 -26.5531 -26.5531 -9.4887 -9.4887 -9.4121 -9.4121 -8.4224 -8.4224 -8.3298 -8.3297 -8.3139 -8.3138 -8.2241 -8.2241 -2.2770 -2.2770 -0.1100 -0.1100 0.6726 0.6726 3.5672 3.5672 4.9869 4.9869 5.4730 5.4730 6.4544 6.4544 6.6055 6.6055 6.9385 6.9385 8.6551 8.6551 9.0460 9.0460 9.3403 9.3403 9.6730 9.6730 10.1486 10.1486 k =-0.1034 0.2279 0.2502 ( 4517 PWs) bands (ev): -26.5700 -26.5700 -26.5532 -26.5532 -9.4886 -9.4886 -9.4096 -9.4096 -8.4231 -8.4230 -8.3254 -8.3253 -8.3119 -8.3118 -8.2235 -8.2235 -2.3127 -2.3127 -0.1223 -0.1223 0.6808 0.6808 3.6572 3.6572 4.9952 4.9952 5.5497 5.5497 6.4678 6.4678 6.5895 6.5895 6.8965 6.8965 8.7282 8.7282 9.0372 9.0372 9.1778 9.1778 9.7484 9.7484 10.1634 10.1634 k =-0.0965 0.2127 0.2335 ( 4515 PWs) bands (ev): -26.5702 -26.5702 -26.5532 -26.5532 -9.4885 -9.4885 -9.4072 -9.4072 -8.4237 -8.4237 -8.3213 -8.3212 -8.3097 -8.3095 -8.2230 -8.2230 -2.3469 -2.3469 -0.1336 -0.1336 0.6863 0.6863 3.7528 3.7528 5.0032 5.0032 5.6268 5.6268 6.4797 6.4797 6.5745 6.5745 6.8536 6.8536 8.7682 8.7682 9.0279 9.0280 9.0500 9.0500 9.8239 9.8239 10.1828 10.1828 k =-0.0896 0.1975 0.2169 ( 4511 PWs) bands (ev): -26.5705 -26.5705 -26.5532 -26.5532 -9.4885 -9.4885 -9.4049 -9.4049 -8.4244 -8.4244 -8.3176 -8.3175 -8.3072 -8.3071 -8.2224 -8.2224 -2.3794 -2.3794 -0.1441 -0.1441 0.6895 0.6895 3.8533 3.8533 5.0110 5.0110 5.7039 5.7039 6.4900 6.4900 6.5605 6.5605 6.8095 6.8095 8.7148 8.7148 9.0130 9.0130 9.0218 9.0218 9.8995 9.8995 10.2077 10.2077 k =-0.0827 0.1823 0.2002 ( 4523 PWs) bands (ev): -26.5708 -26.5708 -26.5533 -26.5533 -9.4884 -9.4884 -9.4028 -9.4028 -8.4251 -8.4251 -8.3142 -8.3141 -8.3046 -8.3044 -8.2218 -8.2218 -2.4099 -2.4099 -0.1537 -0.1537 0.6909 0.6909 3.9581 3.9581 5.0184 5.0184 5.7803 5.7803 6.4987 6.4987 6.5477 6.5477 6.7641 6.7641 8.5860 8.5860 9.0127 9.0127 9.0541 9.0541 9.9755 9.9755 10.2391 10.2391 k =-0.0758 0.1671 0.1835 ( 4521 PWs) bands (ev): -26.5710 -26.5710 -26.5533 -26.5533 -9.4883 -9.4883 -9.4007 -9.4007 -8.4257 -8.4257 -8.3112 -8.3112 -8.3017 -8.3016 -8.2213 -8.2213 -2.4384 -2.4384 -0.1625 -0.1625 0.6908 0.6908 4.0665 4.0665 5.0253 5.0253 5.8558 5.8558 6.5055 6.5055 6.5363 6.5363 6.7168 6.7168 8.4406 8.4406 9.0030 9.0030 9.1116 9.1116 10.0523 10.0523 10.2778 10.2778 k =-0.0689 0.1519 0.1668 ( 4525 PWs) bands (ev): -26.5712 -26.5712 -26.5533 -26.5533 -9.4883 -9.4883 -9.3988 -9.3988 -8.4264 -8.4264 -8.3086 -8.3086 -8.2989 -8.2988 -8.2207 -8.2207 -2.4649 -2.4649 -0.1705 -0.1705 0.6896 0.6896 4.1778 4.1778 5.0319 5.0319 5.9296 5.9296 6.5097 6.5097 6.5269 6.5269 6.6674 6.6674 8.2963 8.2963 8.9922 8.9922 9.1685 9.1685 10.1301 10.1301 10.3244 10.3244 k =-0.0620 0.1367 0.1501 ( 4517 PWs) bands (ev): -26.5714 -26.5714 -26.5534 -26.5534 -9.4882 -9.4882 -9.3971 -9.3971 -8.4270 -8.4270 -8.3063 -8.3063 -8.2961 -8.2960 -8.2202 -8.2202 -2.4891 -2.4891 -0.1778 -0.1778 0.6876 0.6876 4.2912 4.2912 5.0379 5.0379 6.0012 6.0012 6.5083 6.5083 6.5226 6.5226 6.6152 6.6152 8.1584 8.1584 8.9800 8.9800 9.2202 9.2202 10.2092 10.2092 10.3790 10.3790 k =-0.0551 0.1215 0.1335 ( 4517 PWs) bands (ev): -26.5716 -26.5716 -26.5534 -26.5534 -9.4882 -9.4882 -9.3955 -9.3955 -8.4276 -8.4276 -8.3043 -8.3043 -8.2935 -8.2934 -8.2196 -8.2196 -2.5110 -2.5110 -0.1842 -0.1842 0.6851 0.6851 4.4055 4.4055 5.0434 5.0434 6.0699 6.0699 6.5014 6.5014 6.5228 6.5228 6.5600 6.5600 8.0300 8.0300 8.9664 8.9664 9.2649 9.2649 10.2895 10.2895 10.3759 10.3759 k =-0.0483 0.1063 0.1168 ( 4515 PWs) bands (ev): -26.5718 -26.5718 -26.5534 -26.5534 -9.4881 -9.4881 -9.3941 -9.3941 -8.4281 -8.4281 -8.3025 -8.3025 -8.2911 -8.2910 -8.2191 -8.2191 -2.5305 -2.5305 -0.1899 -0.1899 0.6822 0.6822 4.5195 4.5195 5.0483 5.0483 6.1349 6.1349 6.4897 6.4897 6.5054 6.5054 6.5232 6.5232 7.9132 7.9132 8.9518 8.9518 9.3024 9.3024 10.3267 10.3267 10.3718 10.3718 k =-0.0414 0.0911 0.1001 ( 4515 PWs) bands (ev): -26.5719 -26.5719 -26.5534 -26.5534 -9.4881 -9.4881 -9.3929 -9.3929 -8.4286 -8.4286 -8.3009 -8.3009 -8.2889 -8.2889 -8.2186 -8.2186 -2.5476 -2.5476 -0.1948 -0.1948 0.6794 0.6794 4.6315 4.6315 5.0527 5.0527 6.1956 6.1956 6.4364 6.4364 6.4895 6.4895 6.5222 6.5222 7.8096 7.8096 8.9366 8.9366 9.3329 9.3329 10.2832 10.2832 10.4553 10.4553 k =-0.0345 0.0760 0.0834 ( 4515 PWs) bands (ev): -26.5721 -26.5721 -26.5535 -26.5535 -9.4880 -9.4880 -9.3918 -9.3918 -8.4290 -8.4290 -8.2995 -8.2995 -8.2871 -8.2871 -8.2181 -8.2181 -2.5621 -2.5621 -0.1990 -0.1990 0.6766 0.6766 4.7394 4.7394 5.0565 5.0565 6.2509 6.2509 6.3724 6.3724 6.4829 6.4829 6.5196 6.5196 7.7208 7.7208 8.9215 8.9215 9.3570 9.3570 10.2456 10.2456 10.5404 10.5404 k =-0.0276 0.0608 0.0667 ( 4531 PWs) bands (ev): -26.5722 -26.5722 -26.5535 -26.5535 -9.4880 -9.4880 -9.3909 -9.3909 -8.4293 -8.4293 -8.2984 -8.2984 -8.2856 -8.2856 -8.2177 -8.2177 -2.5741 -2.5741 -0.2024 -0.2024 0.6742 0.6742 4.8399 4.8399 5.0597 5.0597 6.2939 6.2940 6.3145 6.3145 6.4774 6.4774 6.5150 6.5150 7.6477 7.6477 8.9074 8.9074 9.3754 9.3754 10.2143 10.2143 10.6269 10.6269 k =-0.0207 0.0456 0.0500 ( 4535 PWs) bands (ev): -26.5722 -26.5722 -26.5535 -26.5535 -9.4880 -9.4880 -9.3902 -9.3902 -8.4296 -8.4296 -8.2975 -8.2975 -8.2845 -8.2845 -8.2174 -8.2174 -2.5834 -2.5834 -0.2050 -0.2050 0.6722 0.6722 4.9286 4.9286 5.0625 5.0625 6.2442 6.2442 6.3466 6.3466 6.4723 6.4723 6.5085 6.5085 7.5909 7.5909 8.8951 8.8951 9.3889 9.3889 10.1896 10.1896 10.7139 10.7139 k =-0.0138 0.0304 0.0334 ( 4539 PWs) bands (ev): -26.5723 -26.5723 -26.5535 -26.5535 -9.4880 -9.4880 -9.3898 -9.3898 -8.4298 -8.4298 -8.2968 -8.2968 -8.2837 -8.2837 -8.2172 -8.2172 -2.5901 -2.5901 -0.2069 -0.2069 0.6707 0.6707 4.9992 4.9992 5.0653 5.0653 6.1925 6.1925 6.3832 6.3832 6.4667 6.4667 6.5008 6.5008 7.5504 7.5504 8.8856 8.8856 9.3980 9.3980 10.1719 10.1719 10.7994 10.7994 k =-0.0069 0.0152 0.0167 ( 4551 PWs) bands (ev): -26.5723 -26.5723 -26.5535 -26.5535 -9.4880 -9.4880 -9.3895 -9.3895 -8.4299 -8.4299 -8.2964 -8.2964 -8.2832 -8.2832 -8.2170 -8.2170 -2.5942 -2.5942 -0.2081 -0.2081 0.6697 0.6697 5.0424 5.0424 5.0705 5.0705 6.1569 6.1569 6.4122 6.4122 6.4589 6.4589 6.4940 6.4940 7.5262 7.5262 8.8795 8.8795 9.4033 9.4033 10.1613 10.1613 10.8759 10.8759 k = 0.0000 0.0000 0.0000 ( 4555 PWs) bands (ev): -26.5724 -26.5724 -26.5535 -26.5535 -9.4880 -9.4880 -9.3894 -9.3894 -8.4299 -8.4299 -8.2963 -8.2963 -8.2830 -8.2830 -8.2170 -8.2170 -2.5955 -2.5955 -0.2085 -0.2085 0.6694 0.6694 5.0532 5.0532 5.0768 5.0768 6.1441 6.1441 6.4268 6.4268 6.4519 6.4519 6.4912 6.4912 7.5181 7.5181 8.8775 8.8775 9.4051 9.4051 10.1577 10.1577 10.9109 10.9110 k = 0.0000 0.0000 0.0000 ( 4555 PWs) bands (ev): -26.5724 -26.5724 -26.5535 -26.5535 -9.4880 -9.4880 -9.3894 -9.3894 -8.4299 -8.4299 -8.2963 -8.2963 -8.2830 -8.2830 -8.2170 -8.2170 -2.5955 -2.5955 -0.2085 -0.2085 0.6694 0.6694 5.0532 5.0532 5.0768 5.0768 6.1441 6.1441 6.4268 6.4268 6.4519 6.4519 6.4912 6.4912 7.5181 7.5181 8.8775 8.8775 9.4051 9.4051 10.1577 10.1577 10.9109 10.9110 k = 0.0217 0.0099 0.0000 ( 4555 PWs) bands (ev): -26.5723 -26.5723 -26.5535 -26.5535 -9.4878 -9.4878 -9.3895 -9.3895 -8.4297 -8.4297 -8.2963 -8.2963 -8.2830 -8.2830 -8.2172 -8.2172 -2.5940 -2.5940 -0.2212 -0.2212 0.6840 0.6840 5.0532 5.0532 5.0767 5.0767 6.1205 6.1205 6.4390 6.4390 6.4550 6.4550 6.4917 6.4917 7.5137 7.5137 8.8836 8.8836 9.4082 9.4082 10.1673 10.1673 10.8701 10.8701 k = 0.0435 0.0197 0.0000 ( 4531 PWs) bands (ev): -26.5723 -26.5723 -26.5536 -26.5536 -9.4875 -9.4875 -9.3898 -9.3898 -8.4292 -8.4292 -8.2963 -8.2963 -8.2830 -8.2830 -8.2180 -8.2180 -2.5894 -2.5894 -0.2573 -0.2573 0.7255 0.7255 5.0532 5.0532 5.0765 5.0765 6.0600 6.0600 6.4499 6.4499 6.4797 6.4797 6.4933 6.4933 7.5008 7.5008 8.9018 8.9018 9.4177 9.4177 10.1958 10.1958 10.7807 10.7807 k = 0.0652 0.0296-0.0000 ( 4539 PWs) bands (ev): -26.5722 -26.5722 -26.5537 -26.5537 -9.4869 -9.4869 -9.3903 -9.3903 -8.4282 -8.4282 -8.2964 -8.2964 -8.2830 -8.2830 -8.2193 -8.2193 -2.5818 -2.5818 -0.3113 -0.3113 0.7886 0.7886 5.0533 5.0533 5.0762 5.0762 5.9776 5.9776 6.4541 6.4541 6.4958 6.4958 6.5174 6.5174 7.4801 7.4801 8.9313 8.9313 9.4340 9.4340 10.2417 10.2417 10.6766 10.6766 k = 0.0870 0.0395 0.0000 ( 4535 PWs) bands (ev): -26.5720 -26.5720 -26.5539 -26.5539 -9.4860 -9.4860 -9.3911 -9.3911 -8.4269 -8.4269 -8.2964 -8.2964 -8.2829 -8.2829 -8.2211 -8.2211 -2.5712 -2.5712 -0.3777 -0.3777 0.8678 0.8678 5.0533 5.0533 5.0757 5.0757 5.8811 5.8811 6.4586 6.4586 6.4993 6.4993 6.5538 6.5538 7.4527 7.4527 8.9708 8.9708 9.4576 9.4576 10.3032 10.3032 10.5693 10.5693 k = 0.1087 0.0493 0.0000 ( 4535 PWs) bands (ev): -26.5718 -26.5718 -26.5541 -26.5541 -9.4849 -9.4849 -9.3920 -9.3920 -8.4251 -8.4251 -8.2965 -8.2965 -8.2829 -8.2829 -8.2234 -8.2234 -2.5576 -2.5576 -0.4521 -0.4521 0.9585 0.9585 5.0533 5.0533 5.0752 5.0752 5.7743 5.7743 6.4640 6.4640 6.5037 6.5037 6.5857 6.5857 7.4198 7.4198 9.0193 9.0193 9.4890 9.4890 10.3768 10.3768 10.4638 10.4639 k = 0.1304 0.0592-0.0000 ( 4547 PWs) bands (ev): -26.5716 -26.5716 -26.5543 -26.5543 -9.4836 -9.4836 -9.3932 -9.3932 -8.4230 -8.4230 -8.2966 -8.2966 -8.2828 -8.2828 -8.2262 -8.2262 -2.5410 -2.5410 -0.5313 -0.5313 1.0579 1.0579 5.0533 5.0533 5.0745 5.0745 5.6594 5.6594 6.4705 6.4705 6.5090 6.5090 6.6125 6.6125 7.3828 7.3828 9.0752 9.0752 9.5283 9.5283 10.3566 10.3566 10.3632 10.3632 k = 0.1522 0.0691 0.0000 ( 4551 PWs) bands (ev): -26.5713 -26.5713 -26.5546 -26.5546 -9.4821 -9.4821 -9.3945 -9.3945 -8.4206 -8.4206 -8.2968 -8.2968 -8.2827 -8.2827 -8.2294 -8.2294 -2.5215 -2.5215 -0.6135 -0.6135 1.1637 1.1637 5.0533 5.0533 5.0737 5.0737 5.5378 5.5378 6.4779 6.4779 6.5151 6.5151 6.6342 6.6342 7.3428 7.3428 9.1375 9.1375 9.5756 9.5756 10.2568 10.2568 10.2623 10.2623 k = 0.1739 0.0789 0.0000 ( 4551 PWs) bands (ev): -26.5710 -26.5710 -26.5549 -26.5549 -9.4803 -9.4803 -9.3961 -9.3961 -8.4178 -8.4178 -8.2970 -8.2970 -8.2826 -8.2826 -8.2329 -8.2329 -2.4990 -2.4990 -0.6971 -0.6971 1.2746 1.2746 5.0533 5.0533 5.0728 5.0728 5.4106 5.4106 6.4861 6.4861 6.5219 6.5219 6.6512 6.6512 7.3008 7.3008 9.2050 9.2050 9.6306 9.6306 10.1604 10.1604 10.1654 10.1654 k = 0.1957 0.0888 0.0000 ( 4551 PWs) bands (ev): -26.5706 -26.5706 -26.5552 -26.5552 -9.4783 -9.4783 -9.3978 -9.3978 -8.4146 -8.4146 -8.2974 -8.2974 -8.2825 -8.2825 -8.2368 -8.2368 -2.4736 -2.4736 -0.7812 -0.7812 1.3897 1.3897 5.0534 5.0534 5.0719 5.0719 5.2788 5.2788 6.4951 6.4951 6.5292 6.5292 6.6644 6.6644 7.2577 7.2577 9.2767 9.2767 9.6929 9.6929 10.0682 10.0682 10.0729 10.0729 k = 0.2174 0.0987 0.0000 ( 4532 PWs) bands (ev): -26.5702 -26.5702 -26.5556 -26.5556 -9.4762 -9.4762 -9.3997 -9.3997 -8.4111 -8.4111 -8.2978 -8.2978 -8.2824 -8.2824 -8.2410 -8.2410 -2.4454 -2.4454 -0.8653 -0.8653 1.5083 1.5083 5.0534 5.0534 5.0706 5.0706 5.1433 5.1433 6.5047 6.5047 6.5371 6.5371 6.6744 6.6744 7.2143 7.2143 9.3519 9.3519 9.7620 9.7620 9.9808 9.9808 9.9852 9.9852 k = 0.2391 0.1085-0.0000 ( 4532 PWs) bands (ev): -26.5698 -26.5698 -26.5561 -26.5561 -9.4738 -9.4738 -9.4018 -9.4018 -8.4072 -8.4072 -8.2985 -8.2985 -8.2823 -8.2823 -8.2454 -8.2454 -2.4143 -2.4143 -0.9488 -0.9488 1.6301 1.6301 5.0035 5.0035 5.0535 5.0535 5.0705 5.0705 6.5148 6.5148 6.5452 6.5452 6.6821 6.6821 7.1710 7.1710 9.4297 9.4297 9.8372 9.8372 9.8984 9.8984 9.9025 9.9025 k = 0.2609 0.1184 0.0000 ( 4532 PWs) bands (ev): -26.5694 -26.5694 -26.5565 -26.5565 -9.4713 -9.4713 -9.4041 -9.4041 -8.4030 -8.4030 -8.2993 -8.2993 -8.2822 -8.2822 -8.2499 -8.2499 -2.3804 -2.3804 -1.0315 -1.0315 1.7545 1.7545 4.8623 4.8623 5.0536 5.0536 5.0691 5.0691 6.5252 6.5252 6.5536 6.5536 6.6880 6.6880 7.1286 7.1286 9.5095 9.5095 9.8212 9.8212 9.8253 9.8253 9.9176 9.9176 k = 0.2826 0.1283-0.0000 ( 4516 PWs) bands (ev): -26.5689 -26.5689 -26.5570 -26.5570 -9.4687 -9.4687 -9.4065 -9.4065 -8.3985 -8.3985 -8.3005 -8.3005 -8.2820 -8.2820 -8.2544 -8.2544 -2.3438 -2.3438 -1.1130 -1.1130 1.8815 1.8815 4.7188 4.7188 5.0537 5.0537 5.0679 5.0679 6.5357 6.5357 6.5619 6.5619 6.6929 6.6929 7.0873 7.0873 9.5906 9.5906 9.7497 9.7497 9.7539 9.7539 10.0021 10.0021 k = 0.3043 0.1381-0.0000 ( 4512 PWs) bands (ev): -26.5684 -26.5684 -26.5575 -26.5575 -9.4659 -9.4659 -9.4091 -9.4091 -8.3937 -8.3937 -8.3021 -8.3021 -8.2819 -8.2819 -8.2588 -8.2588 -2.3045 -2.3045 -1.1932 -1.1932 2.0107 2.0107 4.5738 4.5738 5.0539 5.0539 5.0667 5.0667 6.5462 6.5462 6.5702 6.5702 6.6974 6.6974 7.0474 7.0474 9.6659 9.6659 9.6840 9.6840 9.6953 9.6953 10.0894 10.0894 k = 0.3261 0.1480-0.0000 ( 4508 PWs) bands (ev): -26.5678 -26.5678 -26.5580 -26.5580 -9.4630 -9.4630 -9.4118 -9.4118 -8.3887 -8.3887 -8.3041 -8.3041 -8.2817 -8.2817 -8.2629 -8.2629 -2.2625 -2.2625 -1.2719 -1.2719 2.1421 2.1421 4.4276 4.4276 5.0541 5.0541 5.0656 5.0656 6.5564 6.5564 6.5781 6.5781 6.7020 6.7020 7.0094 7.0094 9.6243 9.6243 9.6255 9.6255 9.7590 9.7590 10.1779 10.1779 k = 0.3478 0.1578 0.0000 ( 4516 PWs) bands (ev): -26.5673 -26.5673 -26.5586 -26.5586 -9.4599 -9.4599 -9.4146 -9.4146 -8.3834 -8.3834 -8.3068 -8.3068 -8.2816 -8.2816 -8.2666 -8.2666 -2.2179 -2.2179 -1.3491 -1.3491 2.2754 2.2754 4.2807 4.2807 5.0544 5.0544 5.0645 5.0645 6.5663 6.5663 6.5854 6.5854 6.7072 6.7072 6.9732 6.9732 9.5710 9.5710 9.5726 9.5726 9.8418 9.8418 10.2648 10.2648 k = 0.3696 0.1677 0.0000 ( 4508 PWs) bands (ev): -26.5667 -26.5667 -26.5592 -26.5592 -9.4568 -9.4568 -9.4176 -9.4176 -8.3778 -8.3778 -8.3102 -8.3102 -8.2814 -8.2814 -8.2698 -8.2698 -2.1708 -2.1708 -1.4245 -1.4245 2.4106 2.4106 4.1333 4.1333 5.0547 5.0547 5.0634 5.0634 6.5755 6.5755 6.5921 6.5921 6.7133 6.7133 6.9393 6.9393 9.5243 9.5243 9.5258 9.5258 9.9249 9.9249 10.3460 10.3460 k = 0.3913 0.1776 0.0000 ( 4508 PWs) bands (ev): -26.5661 -26.5661 -26.5598 -26.5598 -9.4536 -9.4536 -9.4206 -9.4206 -8.3721 -8.3721 -8.3142 -8.3142 -8.2811 -8.2811 -8.2724 -8.2724 -2.1211 -2.1211 -1.4982 -1.4982 2.5475 2.5475 3.9858 3.9858 5.0550 5.0550 5.0623 5.0623 6.5839 6.5839 6.5979 6.5979 6.7206 6.7206 6.9075 6.9075 9.4843 9.4843 9.4856 9.4856 10.0073 10.0073 10.4150 10.4150 k = 0.4130 0.1874 0.0000 ( 4508 PWs) bands (ev): -26.5655 -26.5655 -26.5604 -26.5604 -9.4503 -9.4503 -9.4237 -9.4237 -8.3662 -8.3662 -8.3189 -8.3189 -8.2809 -8.2809 -8.2745 -8.2745 -2.0690 -2.0690 -1.5699 -1.5699 2.6860 2.6860 3.8384 3.8384 5.0555 5.0555 5.0613 5.0613 6.5914 6.5914 6.6026 6.6026 6.7295 6.7295 6.8782 6.8782 9.4514 9.4514 9.4524 9.4524 10.0885 10.0885 10.4630 10.4630 k = 0.4348 0.1973-0.0000 ( 4508 PWs) bands (ev): -26.5649 -26.5649 -26.5610 -26.5610 -9.4470 -9.4470 -9.4270 -9.4270 -8.3601 -8.3601 -8.3241 -8.3241 -8.2806 -8.2806 -8.2762 -8.2761 -2.0145 -2.0145 -1.6398 -1.6398 2.8260 2.8260 3.6914 3.6914 5.0560 5.0560 5.0604 5.0604 6.5977 6.5977 6.6061 6.6061 6.7403 6.7403 6.8512 6.8512 9.4255 9.4255 9.4263 9.4263 10.1676 10.1676 10.4816 10.4816 k = 0.4565 0.2072-0.0000 ( 4496 PWs) bands (ev): -26.5642 -26.5642 -26.5617 -26.5617 -9.4436 -9.4436 -9.4302 -9.4302 -8.3540 -8.3540 -8.3297 -8.3297 -8.2802 -8.2802 -8.2774 -8.2774 -1.9576 -1.9576 -1.7076 -1.7076 2.9675 2.9675 3.5448 3.5448 5.0565 5.0565 5.0595 5.0595 6.6027 6.6027 6.6083 6.6083 6.7530 6.7530 6.8267 6.8267 9.4070 9.4070 9.4076 9.4076 10.2436 10.2436 10.4695 10.4695 k = 0.4783 0.2170-0.0000 ( 4504 PWs) bands (ev): -26.5636 -26.5636 -26.5623 -26.5623 -9.4403 -9.4403 -9.4335 -9.4335 -8.3478 -8.3478 -8.3356 -8.3356 -8.2797 -8.2797 -8.2784 -8.2784 -1.8984 -1.8984 -1.7734 -1.7734 3.1102 3.1102 3.3990 3.3990 5.0571 5.0571 5.0587 5.0587 6.6063 6.6063 6.6091 6.6091 6.7679 6.7679 6.8047 6.8047 9.3959 9.3959 9.3962 9.3962 10.3149 10.3149 10.4328 10.4328 k = 0.5000 0.2269 0.0000 ( 4508 PWs) bands (ev): -26.5630 -26.5630 -26.5629 -26.5629 -9.4370 -9.4370 -9.4368 -9.4368 -8.3417 -8.3417 -8.3416 -8.3416 -8.2792 -8.2792 -8.2791 -8.2791 -1.8372 -1.8372 -1.8367 -1.8367 3.2541 3.2541 3.2541 3.2541 5.0575 5.0575 5.0582 5.0582 6.6082 6.6082 6.6087 6.6087 6.7849 6.7849 6.7853 6.7853 9.3923 9.3923 9.3924 9.3924 10.3792 10.3792 10.3793 10.3793 k = 0.5000 0.2269 0.0000 ( 4508 PWs) bands (ev): -26.5630 -26.5630 -26.5629 -26.5629 -9.4370 -9.4370 -9.4368 -9.4368 -8.3417 -8.3417 -8.3416 -8.3416 -8.2792 -8.2792 -8.2791 -8.2791 -1.8372 -1.8372 -1.8367 -1.8367 3.2541 3.2541 3.2541 3.2541 5.0575 5.0575 5.0582 5.0582 6.6082 6.6082 6.6087 6.6087 6.7849 6.7849 6.7853 6.7853 9.3923 9.3923 9.3924 9.3924 10.3792 10.3792 10.3793 10.3793 k = 0.4930 0.2424 0.0170 ( 4500 PWs) bands (ev): -26.5630 -26.5630 -26.5629 -26.5629 -9.4374 -9.4372 -9.4367 -9.4365 -8.3436 -8.3435 -8.3398 -8.3398 -8.2807 -8.2806 -8.2779 -8.2778 -1.8365 -1.8365 -1.8353 -1.8353 3.2503 3.2503 3.2545 3.2545 5.0493 5.0493 5.0572 5.0572 6.6032 6.6032 6.6098 6.6098 6.7860 6.7860 6.8021 6.8021 9.3766 9.3766 9.3858 9.3858 10.3827 10.3827 10.3879 10.3879 k = 0.4860 0.2578 0.0339 ( 4496 PWs) bands (ev): -26.5630 -26.5630 -26.5628 -26.5628 -9.4379 -9.4378 -9.4365 -9.4364 -8.3456 -8.3456 -8.3381 -8.3380 -8.2823 -8.2822 -8.2767 -8.2766 -1.8343 -1.8343 -1.8311 -1.8311 3.2389 3.2389 3.2558 3.2558 5.0239 5.0239 5.0561 5.0561 6.5906 6.5906 6.6131 6.6131 6.7895 6.7895 6.8487 6.8487 9.3324 9.3324 9.3659 9.3659 10.3946 10.3946 10.4095 10.4095 k = 0.4790 0.2732 0.0509 ( 4498 PWs) bands (ev): -26.5630 -26.5630 -26.5628 -26.5628 -9.4385 -9.4384 -9.4364 -9.4363 -8.3478 -8.3477 -8.3365 -8.3364 -8.2842 -8.2841 -8.2757 -8.2757 -1.8306 -1.8306 -1.8242 -1.8241 3.2197 3.2197 3.2579 3.2579 4.9847 4.9847 5.0542 5.0542 6.5736 6.5736 6.6185 6.6185 6.7952 6.7952 6.9198 6.9198 9.2654 9.2654 9.3337 9.3337 10.4142 10.4142 10.4387 10.4387 k = 0.4720 0.2887 0.0678 ( 4506 PWs) bands (ev): -26.5629 -26.5629 -26.5627 -26.5627 -9.4393 -9.4391 -9.4365 -9.4363 -8.3500 -8.3500 -8.3350 -8.3349 -8.2862 -8.2861 -8.2749 -8.2748 -1.8254 -1.8254 -1.8145 -1.8144 3.1927 3.1927 3.2607 3.2607 4.9353 4.9353 5.0516 5.0516 6.5533 6.5533 6.6260 6.6260 6.8031 6.8031 7.0108 7.0108 9.1819 9.1819 9.2906 9.2906 10.4413 10.4413 10.4692 10.4692 k = 0.4650 0.3041 0.0848 ( 4514 PWs) bands (ev): -26.5629 -26.5629 -26.5626 -26.5626 -9.4401 -9.4400 -9.4366 -9.4365 -8.3524 -8.3524 -8.3337 -8.3336 -8.2884 -8.2883 -8.2742 -8.2741 -1.8188 -1.8188 -1.8020 -1.8020 3.1577 3.1577 3.2643 3.2643 4.8794 4.8794 5.0483 5.0483 6.5301 6.5301 6.6356 6.6356 6.8131 6.8131 7.1182 7.1182 9.0876 9.0876 9.2381 9.2381 10.4751 10.4751 10.4966 10.4966 k = 0.4580 0.3196 0.1017 ( 4518 PWs) bands (ev): -26.5629 -26.5629 -26.5625 -26.5625 -9.4411 -9.4409 -9.4369 -9.4368 -8.3549 -8.3548 -8.3325 -8.3324 -8.2907 -8.2906 -8.2736 -8.2735 -1.8108 -1.8108 -1.7868 -1.7868 3.1147 3.1147 3.2686 3.2686 4.8204 4.8204 5.0443 5.0443 6.5041 6.5041 6.6474 6.6474 6.8249 6.8249 7.2390 7.2390 8.9866 8.9866 9.1778 9.1778 10.5130 10.5130 10.5209 10.5209 k = 0.4509 0.3350 0.1187 ( 4518 PWs) bands (ev): -26.5628 -26.5628 -26.5624 -26.5624 -9.4421 -9.4420 -9.4373 -9.4372 -8.3575 -8.3574 -8.3314 -8.3313 -8.2931 -8.2930 -8.2730 -8.2730 -1.8015 -1.8015 -1.7689 -1.7689 3.0637 3.0637 3.2736 3.2736 4.7609 4.7609 5.0396 5.0396 6.4755 6.4755 6.6614 6.6614 6.8385 6.8385 7.3706 7.3706 8.8820 8.8820 9.1113 9.1113 10.5326 10.5326 10.5632 10.5632 k = 0.4439 0.3504 0.1357 ( 4522 PWs) bands (ev): -26.5628 -26.5628 -26.5622 -26.5622 -9.4432 -9.4431 -9.4378 -9.4377 -8.3602 -8.3601 -8.3306 -8.3305 -8.2955 -8.2954 -8.2725 -8.2725 -1.7910 -1.7910 -1.7483 -1.7483 3.0049 3.0049 3.2790 3.2790 4.7029 4.7029 5.0343 5.0343 6.4448 6.4448 6.6776 6.6776 6.8534 6.8534 7.5110 7.5110 8.7761 8.7761 9.0399 9.0399 10.5431 10.5431 10.6143 10.6143 k = 0.4369 0.3659 0.1526 ( 4520 PWs) bands (ev): -26.5627 -26.5627 -26.5620 -26.5620 -9.4444 -9.4443 -9.4384 -9.4383 -8.3629 -8.3629 -8.3300 -8.3299 -8.2980 -8.2979 -8.2721 -8.2721 -1.7794 -1.7793 -1.7250 -1.7250 2.9386 2.9386 3.2849 3.2849 4.6479 4.6479 5.0283 5.0283 6.4123 6.4123 6.6960 6.6960 6.8695 6.8695 7.6585 7.6585 8.6706 8.6706 8.9649 8.9649 10.5491 10.5491 10.6699 10.6699 k = 0.4299 0.3813 0.1696 ( 4520 PWs) bands (ev): -26.5627 -26.5627 -26.5618 -26.5618 -9.4457 -9.4456 -9.4392 -9.4390 -8.3658 -8.3658 -8.3298 -8.3297 -8.3003 -8.3002 -8.2717 -8.2717 -1.7666 -1.7666 -1.6991 -1.6991 2.8653 2.8653 3.2911 3.2911 4.5967 4.5967 5.0218 5.0218 6.3786 6.3786 6.7167 6.7167 6.8863 6.8863 7.8117 7.8117 8.5669 8.5669 8.8872 8.8872 10.5518 10.5518 10.7289 10.7289 k = 0.4229 0.3968 0.1865 ( 4521 PWs) bands (ev): -26.5626 -26.5626 -26.5616 -26.5616 -9.4471 -9.4470 -9.4400 -9.4398 -8.3688 -8.3687 -8.3300 -8.3299 -8.3025 -8.3024 -8.2713 -8.2712 -1.7529 -1.7529 -1.6706 -1.6706 2.7855 2.7855 3.2975 3.2975 4.5497 4.5497 5.0148 5.0148 6.3441 6.3441 6.7397 6.7397 6.9033 6.9033 7.9695 7.9695 8.4662 8.4662 8.8079 8.8079 10.5524 10.5524 10.7900 10.7900 k = 0.4159 0.4122 0.2035 ( 4529 PWs) bands (ev): -26.5626 -26.5626 -26.5614 -26.5614 -9.4485 -9.4484 -9.4409 -9.4408 -8.3718 -8.3718 -8.3307 -8.3306 -8.3044 -8.3043 -8.2708 -8.2708 -1.7384 -1.7384 -1.6395 -1.6394 2.6999 2.6999 3.3039 3.3039 4.5072 4.5072 5.0073 5.0073 6.3094 6.3094 6.7650 6.7650 6.9202 6.9202 8.1309 8.1309 8.3696 8.3696 8.7275 8.7275 10.5519 10.5519 10.8521 10.8521 k = 0.4089 0.4277 0.2205 ( 4533 PWs) bands (ev): -26.5626 -26.5626 -26.5611 -26.5611 -9.4500 -9.4499 -9.4419 -9.4417 -8.3749 -8.3748 -8.3319 -8.3318 -8.3060 -8.3059 -8.2703 -8.2703 -1.7231 -1.7231 -1.6058 -1.6058 2.6095 2.6095 3.3103 3.3103 4.4690 4.4690 4.9994 4.9994 6.2748 6.2748 6.7927 6.7927 6.9362 6.9362 8.2766 8.2766 8.2964 8.2964 8.6468 8.6468 10.5513 10.5513 10.9133 10.9133 k = 0.4019 0.4431 0.2374 ( 4535 PWs) bands (ev): -26.5625 -26.5625 -26.5609 -26.5609 -9.4515 -9.4514 -9.4429 -9.4428 -8.3780 -8.3779 -8.3337 -8.3336 -8.3072 -8.3071 -8.2698 -8.2698 -1.7072 -1.7072 -1.5696 -1.5696 2.5149 2.5149 3.3164 3.3164 4.4348 4.4348 4.9911 4.9911 6.2408 6.2408 6.8228 6.8228 6.9507 6.9507 8.1921 8.1921 8.4608 8.4608 8.5667 8.5667 10.5514 10.5514 10.9714 10.9714 k = 0.3949 0.4585 0.2544 ( 4543 PWs) bands (ev): -26.5625 -26.5625 -26.5606 -26.5606 -9.4531 -9.4530 -9.4441 -9.4439 -8.3811 -8.3811 -8.3361 -8.3360 -8.3080 -8.3079 -8.2692 -8.2692 -1.6909 -1.6909 -1.5309 -1.5309 2.4169 2.4169 3.3221 3.3221 4.4045 4.4045 4.9825 4.9825 6.2077 6.2077 6.8551 6.8551 6.9631 6.9631 8.1132 8.1132 8.4845 8.4845 8.6301 8.6301 10.5527 10.5528 11.0238 11.0238 k = 0.3879 0.4740 0.2713 ( 4541 PWs) bands (ev): -26.5624 -26.5624 -26.5603 -26.5603 -9.4547 -9.4545 -9.4452 -9.4451 -8.3842 -8.3842 -8.3389 -8.3388 -8.3085 -8.3085 -8.2685 -8.2685 -1.6742 -1.6742 -1.4898 -1.4898 2.3164 2.3164 3.3272 3.3272 4.3776 4.3776 4.9738 4.9738 6.1760 6.1760 6.8899 6.8899 6.9727 6.9727 8.0420 8.0420 8.4054 8.4054 8.7976 8.7976 10.5561 10.5561 11.0675 11.0675 k = 0.3809 0.4894 0.2883 ( 4541 PWs) bands (ev): -26.5624 -26.5624 -26.5600 -26.5600 -9.4563 -9.4562 -9.4465 -9.4463 -8.3873 -8.3873 -8.3420 -8.3419 -8.3089 -8.3088 -8.2677 -8.2677 -1.6574 -1.6574 -1.4463 -1.4463 2.2140 2.2140 3.3315 3.3315 4.3539 4.3539 4.9649 4.9649 6.1459 6.1459 6.9267 6.9267 6.9790 6.9790 7.9792 7.9792 8.3269 8.3269 8.9652 8.9652 10.5620 10.5620 11.0998 11.0998 k = 0.3739 0.5049 0.3052 ( 4531 PWs) bands (ev): -26.5624 -26.5624 -26.5597 -26.5597 -9.4579 -9.4578 -9.4477 -9.4476 -8.3903 -8.3903 -8.3454 -8.3453 -8.3091 -8.3091 -8.2668 -8.2668 -1.6406 -1.6406 -1.4005 -1.4005 2.1104 2.1104 3.3348 3.3348 4.3331 4.3331 4.9559 4.9559 6.1178 6.1178 6.9636 6.9636 6.9835 6.9835 7.9254 7.9254 8.2496 8.2496 9.1315 9.1315 10.5709 10.5709 11.1189 11.1189 k = 0.3668 0.5203 0.3222 ( 4543 PWs) bands (ev): -26.5624 -26.5624 -26.5594 -26.5594 -9.4595 -9.4594 -9.4490 -9.4489 -8.3933 -8.3932 -8.3489 -8.3489 -8.3093 -8.3092 -8.2659 -8.2659 -1.6240 -1.6240 -1.3524 -1.3524 2.0061 2.0061 3.3370 3.3370 4.3150 4.3150 4.9469 4.9469 6.0917 6.0917 6.9750 6.9750 7.0117 7.0117 7.8808 7.8808 8.1738 8.1738 9.2951 9.2951 10.5833 10.5833 11.1251 11.1251 k = 0.3598 0.5358 0.3392 ( 4539 PWs) bands (ev): -26.5623 -26.5623 -26.5591 -26.5591 -9.4612 -9.4610 -9.4503 -9.4502 -8.3961 -8.3961 -8.3526 -8.3525 -8.3094 -8.3094 -8.2648 -8.2648 -1.6078 -1.6078 -1.3021 -1.3021 1.9017 1.9017 3.3378 3.3378 4.2994 4.2994 4.9380 4.9380 6.0680 6.0680 6.9693 6.9693 7.0552 7.0552 7.8453 7.8453 8.0995 8.0995 9.4545 9.4545 10.5994 10.5994 11.1208 11.1208 k = 0.3528 0.5512 0.3561 ( 4549 PWs) bands (ev): -26.5623 -26.5623 -26.5588 -26.5588 -9.4628 -9.4626 -9.4516 -9.4514 -8.3988 -8.3988 -8.3563 -8.3562 -8.3096 -8.3095 -8.2637 -8.2637 -1.5921 -1.5921 -1.2496 -1.2496 1.7976 1.7976 3.3370 3.3370 4.2861 4.2861 4.9293 4.9293 6.0467 6.0467 6.9592 6.9592 7.1018 7.1018 7.8182 7.8182 8.0269 8.0269 9.6072 9.6072 10.6195 10.6195 11.1099 11.1099 k = 0.3458 0.5666 0.3731 ( 4541 PWs) bands (ev): -26.5623 -26.5623 -26.5585 -26.5585 -9.4644 -9.4642 -9.4528 -9.4527 -8.4014 -8.4014 -8.3600 -8.3599 -8.3098 -8.3097 -8.2625 -8.2625 -1.5772 -1.5772 -1.1950 -1.1950 1.6944 1.6944 3.3346 3.3346 4.2752 4.2752 4.9208 4.9208 6.0281 6.0281 6.9463 6.9463 7.1511 7.1511 7.7987 7.7987 7.9561 7.9561 9.7501 9.7501 10.6436 10.6436 11.0981 11.0981 k = 0.3388 0.5821 0.3900 ( 4541 PWs) bands (ev): -26.5624 -26.5624 -26.5581 -26.5581 -9.4659 -9.4658 -9.4540 -9.4539 -8.4038 -8.4038 -8.3636 -8.3636 -8.3100 -8.3100 -8.2612 -8.2612 -1.5633 -1.5633 -1.1384 -1.1384 1.5923 1.5923 3.3303 3.3303 4.2664 4.2664 4.9126 4.9126 6.0121 6.0121 6.9318 6.9318 7.2027 7.2027 7.7855 7.7855 7.8871 7.8871 9.8784 9.8784 10.6716 10.6716 11.0921 11.0921 k = 0.3318 0.5975 0.4070 ( 4535 PWs) bands (ev): -26.5624 -26.5624 -26.5578 -26.5578 -9.4675 -9.4674 -9.4551 -9.4550 -8.4060 -8.4060 -8.3672 -8.3672 -8.3103 -8.3103 -8.2599 -8.2599 -1.5506 -1.5506 -1.0799 -1.0799 1.4918 1.4918 3.3241 3.3241 4.2598 4.2598 4.9048 4.9048 5.9988 5.9988 6.9170 6.9170 7.2567 7.2567 7.7772 7.7772 7.8201 7.8201 9.9862 9.9862 10.7030 10.7030 11.0995 11.0995 k = 0.3248 0.6130 0.4240 ( 4537 PWs) bands (ev): -26.5624 -26.5624 -26.5575 -26.5575 -9.4690 -9.4689 -9.4561 -9.4560 -8.4080 -8.4080 -8.3707 -8.3707 -8.3107 -8.3106 -8.2585 -8.2585 -1.5392 -1.5392 -1.0195 -1.0195 1.3931 1.3931 3.3158 3.3158 4.2554 4.2554 4.8975 4.8975 5.9882 5.9882 6.9032 6.9032 7.3130 7.3130 7.7547 7.7547 7.7728 7.7728 10.0671 10.0671 10.7367 10.7367 11.1283 11.1283 k = 0.3178 0.6284 0.4409 ( 4531 PWs) bands (ev): -26.5625 -26.5625 -26.5572 -26.5572 -9.4704 -9.4704 -9.4570 -9.4569 -8.4098 -8.4098 -8.3741 -8.3740 -8.3111 -8.3111 -8.2571 -8.2571 -1.5295 -1.5295 -0.9573 -0.9573 1.2966 1.2966 3.3055 3.3055 4.2533 4.2533 4.8906 4.8906 5.9804 5.9804 6.8916 6.8916 7.3715 7.3715 7.6918 7.6918 7.7704 7.7704 10.1169 10.1169 10.7705 10.7705 11.1836 11.1836 k = 0.3108 0.6439 0.4579 ( 4527 PWs) bands (ev): -26.5625 -26.5625 -26.5569 -26.5569 -9.4719 -9.4718 -9.4578 -9.4577 -8.4114 -8.4113 -8.3773 -8.3773 -8.3116 -8.3116 -8.2557 -8.2556 -1.5216 -1.5216 -0.8934 -0.8934 1.2025 1.2025 3.2932 3.2932 4.2536 4.2536 4.8843 4.8843 5.9753 5.9753 6.8830 6.8830 7.4323 7.4323 7.6307 7.6307 7.7696 7.7696 10.1358 10.1358 10.8003 10.8003 11.2456 11.2456 k = 0.3038 0.6593 0.4748 ( 4519 PWs) bands (ev): -26.5626 -26.5626 -26.5566 -26.5566 -9.4733 -9.4732 -9.4584 -9.4584 -8.4127 -8.4127 -8.3804 -8.3803 -8.3122 -8.3121 -8.2542 -8.2542 -1.5157 -1.5157 -0.8280 -0.8280 1.1112 1.1112 3.2788 3.2788 4.2562 4.2562 4.8786 4.8786 5.9729 5.9729 6.8782 6.8782 7.4953 7.4953 7.5716 7.5716 7.7693 7.7693 10.1288 10.1288 10.8188 10.8188 11.2065 11.2065 k = 0.2968 0.6747 0.4918 ( 4527 PWs) bands (ev): -26.5627 -26.5627 -26.5563 -26.5563 -9.4746 -9.4746 -9.4589 -9.4589 -8.4138 -8.4137 -8.3833 -8.3832 -8.3128 -8.3127 -8.2527 -8.2527 -1.5121 -1.5121 -0.7612 -0.7612 1.0228 1.0228 3.2627 3.2627 4.2614 4.2614 4.8736 4.8736 5.9731 5.9731 6.8778 6.8778 7.5145 7.5145 7.5604 7.5604 7.7689 7.7689 10.1024 10.1024 10.8170 10.8170 11.1947 11.1947 k = 0.2898 0.6902 0.5087 ( 4521 PWs) bands (ev): -26.5628 -26.5628 -26.5560 -26.5560 -9.4759 -9.4759 -9.4592 -9.4592 -8.4146 -8.4146 -8.3859 -8.3859 -8.3135 -8.3134 -8.2512 -8.2512 -1.5110 -1.5110 -0.6930 -0.6930 0.9376 0.9376 3.2448 3.2448 4.2691 4.2691 4.8693 4.8693 5.9758 5.9758 6.8821 6.8821 7.4594 7.4594 7.6274 7.6274 7.7680 7.7680 10.0627 10.0627 10.7921 10.7921 11.2124 11.2124 k = 0.2828 0.7056 0.5257 ( 4521 PWs) bands (ev): -26.5629 -26.5629 -26.5557 -26.5557 -9.4772 -9.4771 -9.4594 -9.4593 -8.4152 -8.4152 -8.3884 -8.3883 -8.3142 -8.3141 -8.2497 -8.2497 -1.5125 -1.5125 -0.6237 -0.6237 0.8557 0.8557 3.2255 3.2255 4.2796 4.2796 4.8657 4.8657 5.9810 5.9810 6.8914 6.8914 7.4062 7.4062 7.6962 7.6962 7.7663 7.7663 10.0141 10.0141 10.7500 10.7500 11.2120 11.2120 k = 0.2757 0.7211 0.5427 ( 4525 PWs) bands (ev): -26.5631 -26.5631 -26.5555 -26.5555 -9.4784 -9.4783 -9.4593 -9.4592 -8.4156 -8.4155 -8.3905 -8.3904 -8.3149 -8.3149 -8.2482 -8.2482 -1.5169 -1.5169 -0.5534 -0.5534 0.7774 0.7774 3.2049 3.2049 4.2928 4.2928 4.8629 4.8629 5.9885 5.9885 6.9058 6.9058 7.3550 7.3550 7.7580 7.7580 7.7723 7.7723 9.9599 9.9599 10.6989 10.6989 11.1513 11.1513 k = 0.2757 0.7211 0.5427 ( 4525 PWs) bands (ev): -26.5631 -26.5631 -26.5555 -26.5555 -9.4784 -9.4783 -9.4593 -9.4592 -8.4156 -8.4155 -8.3905 -8.3904 -8.3149 -8.3149 -8.2482 -8.2482 -1.5169 -1.5169 -0.5534 -0.5534 0.7774 0.7774 3.2049 3.2049 4.2928 4.2928 4.8629 4.8629 5.9885 5.9885 6.9058 6.9058 7.3550 7.3550 7.7580 7.7580 7.7723 7.7723 9.9599 9.9599 10.6989 10.6989 11.1513 11.1513 k = 0.2528 0.7163 0.5479 ( 4517 PWs) bands (ev): -26.5631 -26.5631 -26.5554 -26.5554 -9.4788 -9.4787 -9.4592 -9.4591 -8.4156 -8.4156 -8.3913 -8.3912 -8.3151 -8.3151 -8.2477 -8.2477 -1.5194 -1.5194 -0.5303 -0.5303 0.7535 0.7535 3.1944 3.1944 4.3055 4.3055 4.8623 4.8623 5.9781 5.9781 6.9240 6.9240 7.3366 7.3366 7.7604 7.7604 7.7956 7.7956 9.9218 9.9218 10.6975 10.6975 11.1088 11.1088 k = 0.2298 0.7116 0.5530 ( 4521 PWs) bands (ev): -26.5632 -26.5632 -26.5553 -26.5553 -9.4792 -9.4792 -9.4590 -9.4590 -8.4155 -8.4155 -8.3921 -8.3920 -8.3152 -8.3151 -8.2473 -8.2472 -1.5230 -1.5230 -0.5049 -0.5049 0.7288 0.7288 3.1768 3.1768 4.3339 4.3339 4.8617 4.8617 5.9432 5.9432 6.9665 6.9665 7.3142 7.3142 7.7615 7.7615 7.8280 7.8280 9.8466 9.8466 10.7235 10.7235 11.0368 11.0368 k = 0.2068 0.7069 0.5582 ( 4521 PWs) bands (ev): -26.5633 -26.5633 -26.5552 -26.5552 -9.4796 -9.4796 -9.4588 -9.4588 -8.4153 -8.4153 -8.3932 -8.3931 -8.3152 -8.3151 -8.2468 -8.2468 -1.5275 -1.5275 -0.4779 -0.4779 0.7039 0.7039 3.1537 3.1537 4.3761 4.3761 4.8612 4.8612 5.8885 5.8885 7.0282 7.0282 7.2903 7.2903 7.7633 7.7633 7.8644 7.8644 9.7458 9.7458 10.7677 10.7677 10.9565 10.9565 k = 0.1838 0.7022 0.5634 ( 4516 PWs) bands (ev): -26.5634 -26.5634 -26.5551 -26.5551 -9.4801 -9.4800 -9.4586 -9.4586 -8.4150 -8.4149 -8.3944 -8.3943 -8.3150 -8.3150 -8.2464 -8.2464 -1.5323 -1.5323 -0.4503 -0.4503 0.6791 0.6791 3.1274 3.1274 4.4298 4.4298 4.8609 4.8609 5.8194 5.8194 7.1033 7.1033 7.2666 7.2666 7.7663 7.7663 7.9023 7.9023 9.6299 9.6299 10.8208 10.8208 10.8768 10.8768 k = 0.1609 0.6974 0.5686 ( 4515 PWs) bands (ev): -26.5634 -26.5634 -26.5550 -26.5550 -9.4805 -9.4804 -9.4584 -9.4584 -8.4145 -8.4145 -8.3957 -8.3956 -8.3148 -8.3148 -8.2460 -8.2460 -1.5373 -1.5373 -0.4229 -0.4229 0.6551 0.6551 3.0999 3.0999 4.4930 4.4930 4.8606 4.8606 5.7402 5.7402 7.1859 7.1859 7.2444 7.2444 7.7712 7.7712 7.9399 7.9399 9.5069 9.5069 10.8004 10.8004 10.8773 10.8773 k = 0.1379 0.6927 0.5738 ( 4519 PWs) bands (ev): -26.5635 -26.5635 -26.5549 -26.5549 -9.4809 -9.4808 -9.4582 -9.4582 -8.4139 -8.4139 -8.3971 -8.3970 -8.3146 -8.3145 -8.2457 -8.2457 -1.5421 -1.5421 -0.3964 -0.3964 0.6324 0.6324 3.0729 3.0729 4.5641 4.5641 4.8604 4.8604 5.6542 5.6542 7.2236 7.2236 7.2717 7.2717 7.7788 7.7788 7.9758 7.9758 9.3823 9.3823 10.7313 10.7313 10.9305 10.9305 k = 0.1149 0.6880 0.5790 ( 4530 PWs) bands (ev): -26.5636 -26.5636 -26.5548 -26.5548 -9.4812 -9.4812 -9.4580 -9.4580 -8.4132 -8.4132 -8.3985 -8.3984 -8.3143 -8.3143 -8.2454 -8.2454 -1.5465 -1.5465 -0.3719 -0.3719 0.6116 0.6116 3.0479 3.0479 4.6413 4.6413 4.8602 4.8602 5.5638 5.5638 7.2060 7.2060 7.3543 7.3543 7.7903 7.7903 8.0086 8.0086 9.2607 9.2607 10.6701 10.6701 10.9784 10.9784 k = 0.0919 0.6832 0.5842 ( 4527 PWs) bands (ev): -26.5636 -26.5636 -26.5548 -26.5548 -9.4815 -9.4814 -9.4579 -9.4578 -8.4124 -8.4124 -8.4000 -8.3999 -8.3140 -8.3140 -8.2452 -8.2452 -1.5503 -1.5503 -0.3502 -0.3502 0.5933 0.5933 3.0261 3.0261 4.7234 4.7234 4.8602 4.8602 5.4706 5.4706 7.1911 7.1911 7.4288 7.4288 7.8072 7.8072 8.0373 8.0373 9.1466 9.1466 10.6181 10.6181 11.0189 11.0189 k = 0.0689 0.6785 0.5894 ( 4524 PWs) bands (ev): -26.5637 -26.5637 -26.5547 -26.5547 -9.4817 -9.4817 -9.4577 -9.4577 -8.4116 -8.4115 -8.4013 -8.4013 -8.3138 -8.3138 -8.2451 -8.2450 -1.5534 -1.5534 -0.3323 -0.3323 0.5782 0.5782 3.0082 3.0082 4.8093 4.8093 4.8603 4.8603 5.3760 5.3760 7.1793 7.1793 7.4894 7.4894 7.8301 7.8301 8.0608 8.0608 9.0452 9.0452 10.5765 10.5765 11.0509 11.0509 k = 0.0460 0.6738 0.5946 ( 4526 PWs) bands (ev): -26.5637 -26.5637 -26.5547 -26.5547 -9.4818 -9.4818 -9.4576 -9.4576 -8.4108 -8.4107 -8.4025 -8.4025 -8.3136 -8.3136 -8.2449 -8.2449 -1.5557 -1.5557 -0.3187 -0.3187 0.5668 0.5668 2.9950 2.9950 4.8595 4.8595 4.8988 4.8988 5.2810 5.2810 7.1708 7.1708 7.5321 7.5321 7.8563 7.8563 8.0783 8.0783 8.9633 8.9633 10.5460 10.5460 11.0739 11.0739 k = 0.0230 0.6691 0.5998 ( 4531 PWs) bands (ev): -26.5637 -26.5637 -26.5546 -26.5546 -9.4819 -9.4819 -9.4576 -9.4576 -8.4101 -8.4100 -8.4034 -8.4034 -8.3135 -8.3135 -8.2449 -8.2449 -1.5572 -1.5572 -0.3103 -0.3103 0.5598 0.5598 2.9869 2.9869 4.8598 4.8598 4.9881 4.9881 5.1878 5.1878 7.1657 7.1657 7.5566 7.5566 7.8784 7.8784 8.0892 8.0892 8.9090 8.9090 10.5274 10.5274 11.0877 11.0877 k = 0.0000 0.6643 0.6050 ( 4528 PWs) bands (ev): -26.5637 -26.5637 -26.5546 -26.5546 -9.4820 -9.4820 -9.4576 -9.4576 -8.4098 -8.4098 -8.4038 -8.4038 -8.3134 -8.3134 -8.2448 -8.2448 -1.5576 -1.5576 -0.3075 -0.3075 0.5574 0.5574 2.9842 2.9842 4.8598 4.8598 5.0553 5.0553 5.1193 5.1193 7.1639 7.1639 7.5645 7.5645 7.8872 7.8872 8.0928 8.0928 8.8897 8.8897 10.5211 10.5211 11.0923 11.0923 k = 0.0000 0.6643 0.6050 ( 4528 PWs) bands (ev): -26.5637 -26.5637 -26.5546 -26.5546 -9.4820 -9.4820 -9.4576 -9.4576 -8.4098 -8.4098 -8.4038 -8.4038 -8.3134 -8.3134 -8.2448 -8.2448 -1.5576 -1.5576 -0.3075 -0.3075 0.5574 0.5574 2.9842 2.9842 4.8598 4.8598 5.0553 5.0553 5.1193 5.1193 7.1639 7.1639 7.5645 7.5645 7.8872 7.8872 8.0928 8.0928 8.8897 8.8897 10.5211 10.5211 11.0923 11.0923 k = 0.0069 0.6490 0.6218 ( 4528 PWs) bands (ev): -26.5637 -26.5637 -26.5546 -26.5546 -9.4820 -9.4820 -9.4576 -9.4576 -8.4099 -8.4099 -8.4037 -8.4036 -8.3136 -8.3135 -8.2449 -8.2449 -1.5569 -1.5569 -0.3077 -0.3077 0.5580 0.5580 2.9828 2.9828 4.8527 4.8527 5.0553 5.0553 5.1229 5.1229 7.1611 7.1611 7.5689 7.5689 7.8859 7.8859 8.0913 8.0913 8.8946 8.8946 10.5221 10.5221 11.0997 11.0997 k = 0.0139 0.6337 0.6386 ( 4530 PWs) bands (ev): -26.5637 -26.5637 -26.5546 -26.5546 -9.4820 -9.4820 -9.4577 -9.4577 -8.4102 -8.4101 -8.4033 -8.4033 -8.3139 -8.3139 -8.2453 -8.2453 -1.5548 -1.5548 -0.3083 -0.3083 0.5597 0.5597 2.9784 2.9784 4.8327 4.8327 5.0554 5.0554 5.1326 5.1326 7.1528 7.1528 7.5813 7.5813 7.8820 7.8820 8.0880 8.0880 8.9090 8.9090 10.5252 10.5252 11.1216 11.1216 k = 0.0208 0.6184 0.6554 ( 4522 PWs) bands (ev): -26.5636 -26.5636 -26.5546 -26.5546 -9.4821 -9.4821 -9.4578 -9.4578 -8.4106 -8.4105 -8.4028 -8.4027 -8.3144 -8.3144 -8.2458 -8.2458 -1.5512 -1.5512 -0.3094 -0.3094 0.5626 0.5626 2.9711 2.9711 4.8028 4.8028 5.0555 5.0555 5.1460 5.1460 7.1392 7.1392 7.5983 7.5983 7.8755 7.8755 8.0866 8.0866 8.9319 8.9319 10.5310 10.5310 11.1573 11.1573 k = 0.0278 0.6031 0.6722 ( 4520 PWs) bands (ev): -26.5636 -26.5636 -26.5546 -26.5546 -9.4822 -9.4822 -9.4580 -9.4580 -8.4110 -8.4110 -8.4021 -8.4021 -8.3151 -8.3151 -8.2466 -8.2465 -1.5462 -1.5462 -0.3109 -0.3109 0.5667 0.5667 2.9607 2.9607 4.7662 4.7662 5.0556 5.0556 5.1611 5.1611 7.1207 7.1207 7.6145 7.6145 7.8661 7.8661 8.0930 8.0930 8.9621 8.9621 10.5403 10.5403 11.2055 11.2055 k = 0.0347 0.5878 0.6890 ( 4524 PWs) bands (ev): -26.5635 -26.5635 -26.5546 -26.5546 -9.4823 -9.4823 -9.4583 -9.4583 -8.4116 -8.4115 -8.4014 -8.4013 -8.3160 -8.3160 -8.2475 -8.2475 -1.5398 -1.5398 -0.3129 -0.3129 0.5719 0.5719 2.9469 2.9469 4.7254 4.7254 5.0556 5.0556 5.1767 5.1767 7.0979 7.0979 7.6229 7.6229 7.8539 7.8539 8.1142 8.1142 8.9984 8.9984 10.5538 10.5538 11.2649 11.2649 k = 0.0417 0.5725 0.7058 ( 4518 PWs) bands (ev): -26.5633 -26.5633 -26.5545 -26.5545 -9.4825 -9.4825 -9.4586 -9.4586 -8.4122 -8.4121 -8.4005 -8.4004 -8.3171 -8.3171 -8.2486 -8.2486 -1.5320 -1.5320 -0.3154 -0.3154 0.5782 0.5782 2.9295 2.9295 4.6826 4.6826 5.0555 5.0555 5.1921 5.1921 7.0712 7.0712 7.6186 7.6186 7.8387 7.8387 8.1554 8.1554 9.0398 9.0398 10.5722 10.5722 11.3333 11.3333 k = 0.0486 0.5572 0.7226 ( 4524 PWs) bands (ev): -26.5632 -26.5632 -26.5545 -26.5545 -9.4827 -9.4826 -9.4590 -9.4590 -8.4128 -8.4127 -8.3996 -8.3995 -8.3184 -8.3183 -8.2499 -8.2499 -1.5228 -1.5228 -0.3185 -0.3185 0.5857 0.5857 2.9082 2.9082 4.6395 4.6395 5.0552 5.0552 5.2070 5.2070 7.0414 7.0414 7.6001 7.6001 7.8204 7.8204 8.2174 8.2174 9.0858 9.0858 10.5956 10.5956 11.2944 11.2944 k = 0.0556 0.5419 0.7394 ( 4524 PWs) bands (ev): -26.5631 -26.5631 -26.5545 -26.5545 -9.4829 -9.4828 -9.4594 -9.4594 -8.4135 -8.4134 -8.3986 -8.3985 -8.3198 -8.3197 -8.2514 -8.2514 -1.5122 -1.5122 -0.3221 -0.3221 0.5944 0.5944 2.8829 2.8829 4.5975 4.5975 5.0546 5.0546 5.2216 5.2216 7.0089 7.0089 7.5696 7.5696 7.7991 7.7991 8.2972 8.2972 9.1360 9.1360 10.6241 10.6241 11.1766 11.1766 k = 0.0625 0.5266 0.7562 ( 4530 PWs) bands (ev): -26.5629 -26.5629 -26.5544 -26.5544 -9.4831 -9.4831 -9.4599 -9.4599 -8.4142 -8.4141 -8.3976 -8.3975 -8.3212 -8.3212 -8.2530 -8.2530 -1.5002 -1.5002 -0.3263 -0.3263 0.6041 0.6041 2.8533 2.8533 4.5579 4.5579 5.0536 5.0536 5.2359 5.2359 6.9744 6.9744 7.5304 7.5304 7.7750 7.7750 8.3903 8.3903 9.1909 9.1909 10.6571 10.6571 11.0614 11.0614 k = 0.0694 0.5113 0.7730 ( 4526 PWs) bands (ev): -26.5627 -26.5627 -26.5544 -26.5544 -9.4833 -9.4833 -9.4605 -9.4605 -8.4149 -8.4148 -8.3966 -8.3964 -8.3228 -8.3228 -8.2547 -8.2547 -1.4869 -1.4869 -0.3313 -0.3313 0.6150 0.6150 2.8193 2.8193 4.5216 4.5216 5.0521 5.0521 5.2500 5.2500 6.9383 6.9383 7.4854 7.4854 7.7481 7.7481 8.4921 8.4921 9.2514 9.2514 10.6928 10.6928 10.9519 10.9519 k = 0.0764 0.4960 0.7898 ( 4524 PWs) bands (ev): -26.5625 -26.5625 -26.5544 -26.5544 -9.4836 -9.4836 -9.4611 -9.4611 -8.4157 -8.4156 -8.3955 -8.3954 -8.3245 -8.3244 -8.2566 -8.2565 -1.4723 -1.4723 -0.3369 -0.3369 0.6271 0.6271 2.7808 2.7808 4.4895 4.4895 5.0501 5.0501 5.2642 5.2642 6.9011 6.9011 7.4368 7.4368 7.7187 7.7187 8.5982 8.5982 9.3191 9.3191 10.7211 10.7211 10.8583 10.8583 k = 0.0833 0.4807 0.8066 ( 4538 PWs) bands (ev): -26.5622 -26.5622 -26.5543 -26.5543 -9.4839 -9.4839 -9.4618 -9.4618 -8.4165 -8.4164 -8.3945 -8.3944 -8.3261 -8.3261 -8.2585 -8.2585 -1.4564 -1.4564 -0.3434 -0.3434 0.6403 0.6403 2.7379 2.7379 4.4621 4.4621 5.0474 5.0474 5.2786 5.2786 6.8631 6.8631 7.3860 7.3860 7.6869 7.6869 8.7045 8.7045 9.3960 9.3960 10.6910 10.6910 10.8319 10.8319 k = 0.0903 0.4654 0.8234 ( 4532 PWs) bands (ev): -26.5620 -26.5620 -26.5543 -26.5543 -9.4842 -9.4841 -9.4625 -9.4625 -8.4173 -8.4173 -8.3936 -8.3934 -8.3278 -8.3277 -8.2605 -8.2605 -1.4393 -1.4393 -0.3506 -0.3506 0.6545 0.6546 2.6909 2.6909 4.4396 4.4396 5.0439 5.0439 5.2933 5.2933 6.8247 6.8247 7.3343 7.3343 7.6529 7.6529 8.8067 8.8067 9.4847 9.4847 10.6046 10.6046 10.8706 10.8706 k = 0.0972 0.4501 0.8402 ( 4532 PWs) bands (ev): -26.5617 -26.5617 -26.5543 -26.5543 -9.4845 -9.4844 -9.4633 -9.4633 -8.4182 -8.4182 -8.3927 -8.3925 -8.3294 -8.3293 -8.2625 -8.2625 -1.4209 -1.4209 -0.3588 -0.3588 0.6700 0.6700 2.6400 2.6400 4.4223 4.4223 5.0396 5.0396 5.3086 5.3086 6.7862 6.7862 7.2824 7.2824 7.6171 7.6171 8.9015 8.9015 9.5875 9.5875 10.5116 10.5116 10.9250 10.9250 k = 0.1042 0.4348 0.8570 ( 4532 PWs) bands (ev): -26.5615 -26.5615 -26.5542 -26.5542 -9.4848 -9.4847 -9.4641 -9.4641 -8.4191 -8.4191 -8.3919 -8.3917 -8.3309 -8.3308 -8.2646 -8.2646 -1.4012 -1.4012 -0.3679 -0.3679 0.6865 0.6865 2.5855 2.5855 4.4101 4.4101 5.0344 5.0344 5.3245 5.3245 6.7478 6.7478 7.2311 7.2311 7.5794 7.5794 8.9866 8.9866 9.7055 9.7055 10.4211 10.4211 10.9857 10.9857 k = 0.1111 0.4195 0.8738 ( 4536 PWs) bands (ev): -26.5612 -26.5612 -26.5542 -26.5542 -9.4851 -9.4851 -9.4650 -9.4650 -8.4201 -8.4200 -8.3912 -8.3910 -8.3323 -8.3322 -8.2667 -8.2667 -1.3805 -1.3805 -0.3780 -0.3780 0.7042 0.7042 2.5280 2.5280 4.4027 4.4027 5.0282 5.0282 5.3411 5.3411 6.7096 6.7096 7.1808 7.1808 7.5402 7.5402 9.0615 9.0615 9.8385 9.8385 10.3351 10.3351 11.0509 11.0509 k = 0.1181 0.4042 0.8906 ( 4534 PWs) bands (ev): -26.5609 -26.5609 -26.5542 -26.5542 -9.4854 -9.4854 -9.4659 -9.4659 -8.4211 -8.4210 -8.3906 -8.3905 -8.3335 -8.3334 -8.2688 -8.2688 -1.3586 -1.3586 -0.3891 -0.3891 0.7231 0.7231 2.4679 2.4679 4.4000 4.4000 5.0211 5.0211 5.3587 5.3587 6.6717 6.6717 7.1320 7.1320 7.4996 7.4996 9.1270 9.1270 9.9851 9.9851 10.2545 10.2545 11.1197 11.1197 k = 0.1250 0.3889 0.9074 ( 4528 PWs) bands (ev): -26.5606 -26.5606 -26.5542 -26.5542 -9.4857 -9.4857 -9.4669 -9.4668 -8.4221 -8.4220 -8.3902 -8.3901 -8.3346 -8.3345 -8.2709 -8.2708 -1.3356 -1.3356 -0.4013 -0.4013 0.7431 0.7431 2.4057 2.4057 4.4015 4.4015 5.0130 5.0130 5.3773 5.3773 6.6343 6.6343 7.0849 7.0849 7.4576 7.4576 9.1845 9.1845 10.1426 10.1426 10.1803 10.1803 11.1916 11.1916 k = 0.1319 0.3736 0.9242 ( 4540 PWs) bands (ev): -26.5603 -26.5603 -26.5541 -26.5541 -9.4860 -9.4860 -9.4679 -9.4678 -8.4231 -8.4230 -8.3900 -8.3899 -8.3354 -8.3353 -8.2729 -8.2729 -1.3116 -1.3116 -0.4146 -0.4146 0.7643 0.7643 2.3419 2.3419 4.4068 4.4068 5.0039 5.0039 5.3971 5.3971 6.5973 6.5973 7.0400 7.0400 7.4144 7.4144 9.2357 9.2357 10.1106 10.1106 10.3111 10.3111 11.2663 11.2663 k = 0.1389 0.3583 0.9410 ( 4542 PWs) bands (ev): -26.5600 -26.5600 -26.5541 -26.5541 -9.4863 -9.4862 -9.4689 -9.4689 -8.4241 -8.4241 -8.3900 -8.3899 -8.3359 -8.3359 -8.2749 -8.2749 -1.2866 -1.2866 -0.4291 -0.4291 0.7866 0.7866 2.2770 2.2770 4.4155 4.4155 4.9938 4.9938 5.4181 5.4181 6.5607 6.5607 6.9974 6.9974 7.3702 7.3702 9.2817 9.2817 10.0481 10.0481 10.4862 10.4862 11.3433 11.3433 k = 0.1458 0.3430 0.9578 ( 4544 PWs) bands (ev): -26.5597 -26.5597 -26.5541 -26.5541 -9.4865 -9.4865 -9.4699 -9.4699 -8.4252 -8.4251 -8.3902 -8.3901 -8.3363 -8.3362 -8.2769 -8.2769 -1.2607 -1.2607 -0.4447 -0.4447 0.8102 0.8102 2.2115 2.2115 4.4273 4.4273 4.9828 4.9828 5.4404 5.4404 6.5245 6.5245 6.9573 6.9573 7.3251 7.3251 9.3237 9.3237 9.9919 9.9919 10.6675 10.6675 11.4226 11.4226 k = 0.1528 0.3277 0.9747 ( 4548 PWs) bands (ev): -26.5594 -26.5594 -26.5542 -26.5542 -9.4868 -9.4867 -9.4710 -9.4710 -8.4262 -8.4261 -8.3906 -8.3905 -8.3363 -8.3362 -8.2788 -8.2788 -1.2339 -1.2339 -0.4615 -0.4615 0.8350 0.8350 2.1457 2.1457 4.4415 4.4415 4.9708 4.9708 5.4643 5.4643 6.4887 6.4887 6.9200 6.9200 7.2794 7.2794 9.3623 9.3623 9.9419 9.9419 10.8535 10.8535 11.5038 11.5038 k = 0.1597 0.3124 0.9915 ( 4544 PWs) bands (ev): -26.5591 -26.5591 -26.5542 -26.5542 -9.4870 -9.4869 -9.4721 -9.4721 -8.4272 -8.4272 -8.3912 -8.3910 -8.3362 -8.3361 -8.2807 -8.2806 -1.2063 -1.2063 -0.4795 -0.4795 0.8611 0.8611 2.0800 2.0800 4.4580 4.4580 4.9580 4.9580 5.4897 5.4897 6.4531 6.4531 6.8856 6.8856 7.2331 7.2331 9.3982 9.3982 9.8981 9.8981 11.0432 11.0432 11.5868 11.5868 k = 0.1667 0.2971 1.0083 ( 4550 PWs) bands (ev): -26.5588 -26.5588 -26.5542 -26.5542 -9.4871 -9.4871 -9.4732 -9.4731 -8.4282 -8.4281 -8.3918 -8.3917 -8.3358 -8.3357 -8.2824 -8.2824 -1.1779 -1.1779 -0.4987 -0.4987 0.8885 0.8885 2.0148 2.0148 4.4761 4.4761 4.9445 4.9445 5.5167 5.5167 6.4177 6.4177 6.8542 6.8542 7.1866 7.1866 9.4315 9.4315 9.8601 9.8601 11.2355 11.2355 11.6713 11.6713 k = 0.1736 0.2818 1.0251 ( 4548 PWs) bands (ev): -26.5585 -26.5585 -26.5542 -26.5542 -9.4873 -9.4872 -9.4743 -9.4742 -8.4292 -8.4291 -8.3926 -8.3925 -8.3353 -8.3352 -8.2841 -8.2841 -1.1489 -1.1489 -0.5191 -0.5191 0.9172 0.9172 1.9502 1.9502 4.4957 4.4957 4.9301 4.9301 5.5455 5.5455 6.3823 6.3823 6.8260 6.8260 7.1403 7.1403 9.4627 9.4627 9.8277 9.8277 11.4291 11.4291 11.7570 11.7570 k = 0.1806 0.2665 1.0419 ( 4548 PWs) bands (ev): -26.5582 -26.5582 -26.5543 -26.5543 -9.4873 -9.4873 -9.4754 -9.4753 -8.4301 -8.4300 -8.3935 -8.3933 -8.3346 -8.3345 -8.2858 -8.2857 -1.1193 -1.1193 -0.5406 -0.5406 0.9472 0.9472 1.8866 1.8866 4.5163 4.5163 4.9151 4.9151 5.5759 5.5759 6.3467 6.3467 6.8011 6.8011 7.0944 7.0944 9.4918 9.4918 9.8004 9.8004 11.6229 11.6229 11.8437 11.8437 k = 0.1875 0.2512 1.0587 ( 4544 PWs) bands (ev): -26.5579 -26.5579 -26.5544 -26.5544 -9.4874 -9.4873 -9.4764 -9.4764 -8.4309 -8.4308 -8.3943 -8.3942 -8.3338 -8.3337 -8.2873 -8.2873 -1.0892 -1.0892 -0.5633 -0.5633 0.9787 0.9787 1.8241 1.8241 4.5377 4.5377 4.8994 4.8994 5.6081 5.6081 6.3110 6.3110 6.7796 6.7796 7.0495 7.0495 9.5189 9.5189 9.7778 9.7778 11.8150 11.8150 11.9312 11.9312 k = 0.1944 0.2359 1.0755 ( 4542 PWs) bands (ev): -26.5576 -26.5576 -26.5544 -26.5544 -9.4873 -9.4873 -9.4775 -9.4774 -8.4317 -8.4316 -8.3952 -8.3951 -8.3329 -8.3328 -8.2887 -8.2887 -1.0586 -1.0586 -0.5871 -0.5871 1.0116 1.0116 1.7630 1.7630 4.5596 4.5596 4.8832 4.8832 5.6420 5.6420 6.2748 6.2748 6.7616 6.7617 7.0059 7.0059 9.5440 9.5440 9.7591 9.7591 12.0022 12.0022 12.0194 12.0195 k = 0.2014 0.2206 1.0923 ( 4540 PWs) bands (ev): -26.5573 -26.5573 -26.5545 -26.5545 -9.4872 -9.4872 -9.4785 -9.4784 -8.4324 -8.4323 -8.3961 -8.3959 -8.3320 -8.3319 -8.2901 -8.2900 -1.0277 -1.0277 -0.6119 -0.6119 1.0460 1.0460 1.7033 1.7033 4.5818 4.5818 4.8664 4.8664 5.6776 5.6776 6.2380 6.2380 6.7473 6.7473 6.9642 6.9642 9.5672 9.5672 9.7440 9.7440 12.1059 12.1059 12.1819 12.1819 k = 0.2083 0.2053 1.1091 ( 4544 PWs) bands (ev): -26.5570 -26.5570 -26.5546 -26.5546 -9.4871 -9.4870 -9.4794 -9.4794 -8.4330 -8.4330 -8.3968 -8.3967 -8.3312 -8.3311 -8.2913 -8.2912 -0.9966 -0.9966 -0.6377 -0.6377 1.0819 1.0819 1.6451 1.6451 4.6040 4.6040 4.8492 4.8492 5.7146 5.7146 6.2005 6.2005 6.7367 6.7367 6.9249 6.9249 9.5883 9.5883 9.7316 9.7316 12.1922 12.1922 12.3416 12.3416 k = 0.2153 0.1900 1.1259 ( 4542 PWs) bands (ev): -26.5567 -26.5567 -26.5548 -26.5548 -9.4869 -9.4869 -9.4803 -9.4803 -8.4336 -8.4335 -8.3976 -8.3974 -8.3303 -8.3302 -8.2923 -8.2923 -0.9653 -0.9653 -0.6645 -0.6645 1.1193 1.1193 1.5886 1.5886 4.6261 4.6261 4.8315 4.8315 5.7530 5.7530 6.1623 6.1623 6.7299 6.7299 6.8883 6.8883 9.6074 9.6074 9.7213 9.7213 12.2764 12.2764 12.4643 12.4643 k = 0.2222 0.1747 1.1427 ( 4542 PWs) bands (ev): -26.5565 -26.5565 -26.5549 -26.5549 -9.4867 -9.4866 -9.4812 -9.4811 -8.4341 -8.4340 -8.3982 -8.3980 -8.3296 -8.3295 -8.2932 -8.2932 -0.9339 -0.9339 -0.6921 -0.6921 1.1584 1.1584 1.5339 1.5339 4.6479 4.6479 4.8134 4.8134 5.7926 5.7926 6.1232 6.1232 6.7269 6.7269 6.8550 6.8550 9.6245 9.6245 9.7125 9.7126 12.3568 12.3568 12.5370 12.5370 k = 0.2292 0.1594 1.1595 ( 4544 PWs) bands (ev): -26.5563 -26.5563 -26.5551 -26.5551 -9.4864 -9.4863 -9.4819 -9.4818 -8.4344 -8.4344 -8.3986 -8.3985 -8.3290 -8.3289 -8.2940 -8.2939 -0.9026 -0.9026 -0.7204 -0.7204 1.1991 1.1991 1.4809 1.4809 4.6692 4.6693 4.7951 4.7951 5.8330 5.8330 6.0834 6.0834 6.7279 6.7279 6.8253 6.8253 9.6394 9.6394 9.7048 9.7048 12.4306 12.4306 12.5699 12.5699 k = 0.2361 0.1441 1.1763 ( 4544 PWs) bands (ev): -26.5560 -26.5560 -26.5552 -26.5552 -9.4861 -9.4860 -9.4826 -9.4825 -8.4347 -8.4346 -8.3990 -8.3989 -8.3285 -8.3284 -8.2945 -8.2944 -0.8714 -0.8714 -0.7495 -0.7495 1.2414 1.2414 1.4298 1.4298 4.6898 4.6898 4.7766 4.7766 5.8740 5.8740 6.0431 6.0431 6.7327 6.7327 6.7997 6.7998 9.6521 9.6521 9.6975 9.6976 12.4927 12.4928 12.5795 12.5796 k = 0.2431 0.1288 1.1931 ( 4534 PWs) bands (ev): -26.5558 -26.5558 -26.5554 -26.5554 -9.4858 -9.4857 -9.4831 -9.4829 -8.4348 -8.4348 -8.3992 -8.3991 -8.3282 -8.3281 -8.2948 -8.2948 -0.8405 -0.8405 -0.7791 -0.7791 1.2850 1.2850 1.3808 1.3808 4.7087 4.7087 4.7591 4.7591 5.9146 5.9146 6.0028 6.0029 6.7407 6.7407 6.7792 6.7792 9.6620 9.6620 9.6911 9.6912 12.5368 12.5368 12.5757 12.5757 k = 0.2500 0.1135 1.2099 ( 4532 PWs) bands (ev): -26.5557 -26.5557 -26.5555 -26.5555 -9.4857 -9.4856 -9.4832 -9.4831 -8.4349 -8.4348 -8.3993 -8.3992 -8.3281 -8.3280 -8.2949 -8.2949 -0.8137 -0.8136 -0.8056 -0.8055 1.3220 1.3220 1.3421 1.3421 4.7192 4.7192 4.7490 4.7490 5.9447 5.9447 5.9729 5.9729 6.7470 6.7470 6.7687 6.7687 9.6664 9.6664 9.6879 9.6879 12.5608 12.5608 12.5637 12.5637 k = 0.2500 0.1135 1.2099 ( 4532 PWs) bands (ev): -26.5557 -26.5557 -26.5555 -26.5555 -9.4857 -9.4856 -9.4832 -9.4831 -8.4349 -8.4348 -8.3993 -8.3992 -8.3281 -8.3280 -8.2949 -8.2949 -0.8137 -0.8136 -0.8056 -0.8055 1.3220 1.3220 1.3421 1.3421 4.7192 4.7192 4.7490 4.7490 5.9447 5.9447 5.9729 5.9729 6.7470 6.7470 6.7687 6.7687 9.6664 9.6664 9.6879 9.6879 12.5608 12.5608 12.5637 12.5637 k = 0.2692 0.1222 1.2003 ( 4528 PWs) bands (ev): -26.5557 -26.5557 -26.5555 -26.5555 -9.4857 -9.4856 -9.4832 -9.4831 -8.4348 -8.4347 -8.3995 -8.3993 -8.3280 -8.3278 -8.2950 -8.2950 -0.8219 -0.8218 -0.7975 -0.7974 1.3118 1.3119 1.3525 1.3525 4.7171 4.7171 4.7507 4.7507 5.9388 5.9389 5.9820 5.9821 6.7434 6.7434 6.7682 6.7683 9.6695 9.6695 9.6917 9.6917 12.5044 12.5044 12.5237 12.5237 k = 0.2885 0.1309 1.1907 ( 4538 PWs) bands (ev): -26.5558 -26.5558 -26.5554 -26.5554 -9.4857 -9.4856 -9.4832 -9.4830 -8.4345 -8.4344 -8.4000 -8.3999 -8.3275 -8.3273 -8.2952 -8.2952 -0.8316 -0.8316 -0.7880 -0.7880 1.2983 1.2983 1.3670 1.3670 4.7122 4.7122 4.7542 4.7542 5.9307 5.9308 6.0000 6.0000 6.7338 6.7338 6.7656 6.7657 9.6798 9.6798 9.7018 9.7018 12.4016 12.4016 12.4552 12.4552 k = 0.3077 0.1396 1.1812 ( 4542 PWs) bands (ev): -26.5558 -26.5558 -26.5554 -26.5554 -9.4858 -9.4856 -9.4831 -9.4830 -8.4339 -8.4339 -8.4009 -8.4007 -8.3266 -8.3265 -8.2956 -8.2956 -0.8401 -0.8401 -0.7804 -0.7804 1.2871 1.2871 1.3800 1.3800 4.7065 4.7065 4.7578 4.7578 5.9257 5.9257 6.0210 6.0210 6.7197 6.7198 6.7599 6.7599 9.6969 9.6969 9.7177 9.7177 12.2936 12.2936 12.3779 12.3779 k = 0.3269 0.1484 1.1716 ( 4542 PWs) bands (ev): -26.5559 -26.5559 -26.5554 -26.5554 -9.4858 -9.4856 -9.4830 -9.4829 -8.4332 -8.4331 -8.4020 -8.4019 -8.3255 -8.3254 -8.2962 -8.2961 -0.8470 -0.8470 -0.7748 -0.7747 1.2789 1.2789 1.3907 1.3907 4.7010 4.7010 4.7607 4.7607 5.9248 5.9248 6.0435 6.0435 6.7022 6.7022 6.7508 6.7509 9.7198 9.7198 9.7391 9.7391 12.1876 12.1876 12.2972 12.2972 k = 0.3462 0.1571 1.1620 ( 4546 PWs) bands (ev): -26.5559 -26.5559 -26.5553 -26.5553 -9.4857 -9.4856 -9.4829 -9.4828 -8.4323 -8.4322 -8.4034 -8.4032 -8.3241 -8.3240 -8.2969 -8.2968 -0.8523 -0.8522 -0.7714 -0.7714 1.2742 1.2742 1.3990 1.3990 4.6962 4.6962 4.7623 4.7623 5.9283 5.9283 6.0665 6.0665 6.6821 6.6822 6.7389 6.7389 9.7463 9.7463 9.7658 9.7659 12.0866 12.0866 12.2158 12.2158 k = 0.3654 0.1658 1.1524 ( 4545 PWs) bands (ev): -26.5559 -26.5559 -26.5553 -26.5553 -9.4857 -9.4856 -9.4829 -9.4827 -8.4312 -8.4311 -8.4049 -8.4048 -8.3225 -8.3224 -8.2978 -8.2977 -0.8559 -0.8559 -0.7703 -0.7703 1.2730 1.2730 1.4047 1.4047 4.6927 4.6927 4.7625 4.7625 5.9361 5.9361 6.0888 6.0888 6.6606 6.6607 6.7247 6.7247 9.7747 9.7747 9.7970 9.7971 11.9932 11.9932 12.1357 12.1357 k = 0.3846 0.1745 1.1428 ( 4549 PWs) bands (ev): -26.5559 -26.5559 -26.5554 -26.5554 -9.4856 -9.4855 -9.4828 -9.4827 -8.4299 -8.4299 -8.4066 -8.4065 -8.3208 -8.3207 -8.2988 -8.2988 -0.8578 -0.8578 -0.7718 -0.7718 1.2754 1.2754 1.4077 1.4077 4.6905 4.6905 4.7611 4.7611 5.9480 5.9480 6.1090 6.1090 6.6392 6.6392 6.7089 6.7090 9.8040 9.8040 9.8305 9.8305 11.9101 11.9101 12.0587 12.0587 k = 0.4038 0.1833 1.1332 ( 4548 PWs) bands (ev): -26.5559 -26.5559 -26.5554 -26.5554 -9.4856 -9.4855 -9.4827 -9.4826 -8.4285 -8.4285 -8.4083 -8.4082 -8.3189 -8.3188 -8.3000 -8.2999 -0.8579 -0.8579 -0.7757 -0.7757 1.2816 1.2816 1.4080 1.4080 4.6901 4.6901 4.7580 4.7580 5.9638 5.9639 6.1253 6.1253 6.6198 6.6198 6.6925 6.6925 9.8332 9.8332 9.8633 9.8633 11.8398 11.8398 11.9867 11.9867 k = 0.4231 0.1920 1.1237 ( 4547 PWs) bands (ev): -26.5559 -26.5559 -26.5554 -26.5554 -9.4855 -9.4854 -9.4826 -9.4825 -8.4271 -8.4270 -8.4101 -8.4100 -8.3170 -8.3169 -8.3013 -8.3013 -0.8563 -0.8563 -0.7821 -0.7821 1.2916 1.2916 1.4055 1.4055 4.6915 4.6915 4.7532 4.7532 5.9831 5.9831 6.1355 6.1355 6.6049 6.6049 6.6762 6.6762 9.8612 9.8612 9.8925 9.8925 11.7850 11.7850 11.9213 11.9213 k = 0.4423 0.2007 1.1141 ( 4550 PWs) bands (ev): -26.5559 -26.5559 -26.5555 -26.5555 -9.4854 -9.4853 -9.4825 -9.4823 -8.4256 -8.4255 -8.4116 -8.4115 -8.3150 -8.3149 -8.3027 -8.3027 -0.8528 -0.8528 -0.7909 -0.7909 1.3053 1.3053 1.4003 1.4003 4.6949 4.6949 4.7468 4.7468 6.0052 6.0052 6.1375 6.1375 6.5968 6.5968 6.6609 6.6609 9.8864 9.8864 9.9155 9.9155 11.7480 11.7480 11.8643 11.8643 k = 0.4615 0.2095 1.1045 ( 4558 PWs) bands (ev): -26.5559 -26.5559 -26.5556 -26.5556 -9.4853 -9.4852 -9.4823 -9.4822 -8.4242 -8.4241 -8.4130 -8.4129 -8.3131 -8.3130 -8.3042 -8.3041 -0.8475 -0.8475 -0.8021 -0.8021 1.3227 1.3227 1.3922 1.3922 4.7004 4.7004 4.7387 4.7387 6.0293 6.0294 6.1297 6.1297 6.5973 6.5973 6.6477 6.6477 9.9073 9.9073 9.9302 9.9302 11.7309 11.7309 11.8173 11.8173 k = 0.4808 0.2182 1.0949 ( 4560 PWs) bands (ev): -26.5559 -26.5559 -26.5556 -26.5556 -9.4853 -9.4851 -9.4821 -9.4820 -8.4233 -8.4232 -8.4137 -8.4136 -8.3115 -8.3114 -8.3055 -8.3054 -0.8404 -0.8404 -0.8156 -0.8156 1.3436 1.3436 1.3815 1.3815 4.7081 4.7081 4.7292 4.7292 6.0543 6.0543 6.1122 6.1122 6.6064 6.6065 6.6379 6.6379 9.9222 9.9222 9.9353 9.9354 11.7346 11.7346 11.7819 11.7819 k = 0.5000 0.2269 1.0853 ( 4556 PWs) bands (ev): -26.5558 -26.5558 -26.5557 -26.5557 -9.4852 -9.4851 -9.4819 -9.4818 -8.4230 -8.4229 -8.4136 -8.4135 -8.3108 -8.3108 -8.3060 -8.3059 -0.8328 -0.8327 -0.8300 -0.8299 1.3672 1.3672 1.3687 1.3687 4.7168 4.7168 4.7193 4.7193 6.0717 6.0717 6.0935 6.0935 6.6191 6.6191 6.6368 6.6369 9.9283 9.9283 9.9323 9.9323 11.7589 11.7589 11.7594 11.7594 k = 0.5000 0.2269 1.0853 ( 4556 PWs) bands (ev): -26.5558 -26.5558 -26.5557 -26.5557 -9.4852 -9.4851 -9.4819 -9.4818 -8.4230 -8.4229 -8.4136 -8.4135 -8.3108 -8.3108 -8.3060 -8.3059 -0.8328 -0.8327 -0.8300 -0.8299 1.3672 1.3672 1.3687 1.3687 4.7168 4.7168 4.7193 4.7193 6.0717 6.0717 6.0935 6.0935 6.6191 6.6191 6.6368 6.6369 9.9283 9.9283 9.9323 9.9323 11.7589 11.7589 11.7594 11.7594 k = 0.5000 0.2269 1.0612 ( 4552 PWs) bands (ev): -26.5559 -26.5559 -26.5558 -26.5558 -9.4851 -9.4850 -9.4812 -9.4811 -8.4232 -8.4232 -8.4120 -8.4119 -8.3111 -8.3111 -8.3053 -8.3053 -0.8423 -0.8422 -0.8390 -0.8390 1.3826 1.3826 1.3843 1.3843 4.7154 4.7154 4.7184 4.7184 6.0639 6.0639 6.0878 6.0879 6.6419 6.6419 6.6609 6.6610 9.9212 9.9212 9.9258 9.9258 11.7826 11.7826 11.7834 11.7834 k = 0.5000 0.2269 1.0371 ( 4552 PWs) bands (ev): -26.5560 -26.5560 -26.5559 -26.5559 -9.4850 -9.4848 -9.4804 -9.4803 -8.4234 -8.4233 -8.4104 -8.4103 -8.3114 -8.3114 -8.3047 -8.3046 -0.8536 -0.8535 -0.8498 -0.8497 1.4008 1.4008 1.4027 1.4027 4.7137 4.7137 4.7170 4.7170 6.0566 6.0567 6.0821 6.0821 6.6676 6.6677 6.6873 6.6874 9.9155 9.9155 9.9205 9.9205 11.8062 11.8062 11.8075 11.8075 k = 0.5000 0.2269 1.0130 ( 4554 PWs) bands (ev): -26.5561 -26.5561 -26.5560 -26.5560 -9.4847 -9.4846 -9.4796 -9.4795 -8.4234 -8.4233 -8.4086 -8.4085 -8.3117 -8.3116 -8.3040 -8.3039 -0.8665 -0.8664 -0.8622 -0.8621 1.4218 1.4218 1.4240 1.4240 4.7114 4.7114 4.7151 4.7151 6.0503 6.0503 6.0767 6.0767 6.6959 6.6960 6.7157 6.7158 9.9118 9.9118 9.9172 9.9173 11.8270 11.8271 11.8289 11.8289 k = 0.5000 0.2269 0.9889 ( 4554 PWs) bands (ev): -26.5562 -26.5562 -26.5561 -26.5561 -9.4844 -9.4843 -9.4787 -9.4786 -8.4232 -8.4232 -8.4067 -8.4066 -8.3120 -8.3119 -8.3032 -8.3032 -0.8811 -0.8810 -0.8763 -0.8762 1.4459 1.4459 1.4483 1.4483 4.7085 4.7085 4.7126 4.7126 6.0453 6.0453 6.0721 6.0721 6.7263 6.7264 6.7457 6.7457 9.9110 9.9111 9.9167 9.9167 11.8402 11.8402 11.8430 11.8430 k = 0.5000 0.2269 0.9647 ( 4558 PWs) bands (ev): -26.5564 -26.5564 -26.5562 -26.5562 -9.4840 -9.4839 -9.4778 -9.4776 -8.4230 -8.4229 -8.4047 -8.4046 -8.3122 -8.3121 -8.3024 -8.3024 -0.8973 -0.8972 -0.8921 -0.8920 1.4728 1.4729 1.4754 1.4755 4.7050 4.7050 4.7094 4.7094 6.0417 6.0417 6.0686 6.0686 6.7584 6.7585 6.7770 6.7770 9.9138 9.9138 9.9196 9.9197 11.8359 11.8359 11.8394 11.8394 k = 0.5000 0.2269 0.9406 ( 4550 PWs) bands (ev): -26.5565 -26.5565 -26.5564 -26.5564 -9.4836 -9.4834 -9.4768 -9.4766 -8.4226 -8.4225 -8.4026 -8.4025 -8.3124 -8.3123 -8.3016 -8.3016 -0.9153 -0.9152 -0.9096 -0.9095 1.5028 1.5028 1.5056 1.5056 4.7007 4.7007 4.7054 4.7054 6.0398 6.0398 6.0665 6.0665 6.7920 6.7920 6.8094 6.8095 9.9208 9.9208 9.9266 9.9266 11.7964 11.7965 11.7994 11.7994 k = 0.5000 0.2269 0.9165 ( 4554 PWs) bands (ev): -26.5567 -26.5567 -26.5565 -26.5565 -9.4830 -9.4829 -9.4757 -9.4756 -8.4221 -8.4220 -8.4003 -8.4002 -8.3126 -8.3125 -8.3008 -8.3007 -0.9348 -0.9347 -0.9288 -0.9287 1.5358 1.5358 1.5387 1.5387 4.6956 4.6956 4.7006 4.7006 6.0398 6.0398 6.0661 6.0661 6.8268 6.8268 6.8428 6.8428 9.9323 9.9323 9.9379 9.9380 11.7109 11.7110 11.7116 11.7116 k = 0.5000 0.2269 0.8924 ( 4562 PWs) bands (ev): -26.5568 -26.5568 -26.5567 -26.5567 -9.4824 -9.4822 -9.4746 -9.4745 -8.4214 -8.4214 -8.3980 -8.3979 -8.3127 -8.3127 -8.2999 -8.2998 -0.9559 -0.9559 -0.9496 -0.9495 1.5717 1.5717 1.5748 1.5748 4.6897 4.6897 4.6949 4.6949 6.0418 6.0418 6.0675 6.0675 6.8625 6.8625 6.8769 6.8769 9.9486 9.9486 9.9540 9.9541 11.5904 11.5904 11.5923 11.5923 k = 0.5000 0.2269 0.8683 ( 4562 PWs) bands (ev): -26.5570 -26.5570 -26.5569 -26.5569 -9.4817 -9.4815 -9.4734 -9.4733 -8.4207 -8.4206 -8.3955 -8.3954 -8.3129 -8.3128 -8.2990 -8.2989 -0.9786 -0.9785 -0.9719 -0.9718 1.6106 1.6106 1.6138 1.6138 4.6829 4.6829 4.6883 4.6883 6.0458 6.0459 6.0709 6.0709 6.8990 6.8990 6.9117 6.9117 9.9700 9.9700 9.9750 9.9750 11.4538 11.4538 11.4572 11.4572 k = 0.5000 0.2269 0.8441 ( 4564 PWs) bands (ev): -26.5572 -26.5572 -26.5570 -26.5570 -9.4809 -9.4807 -9.4722 -9.4721 -8.4198 -8.4197 -8.3930 -8.3929 -8.3130 -8.3130 -8.2980 -8.2980 -1.0028 -1.0027 -0.9957 -0.9956 1.6524 1.6524 1.6557 1.6557 4.6752 4.6752 4.6810 4.6810 6.0520 6.0521 6.0764 6.0765 6.9362 6.9362 6.9471 6.9471 9.9962 9.9962 10.0006 10.0006 11.3107 11.3107 11.3151 11.3151 k = 0.5000 0.2269 0.8200 ( 4560 PWs) bands (ev): -26.5574 -26.5574 -26.5572 -26.5572 -9.4800 -9.4799 -9.4710 -9.4709 -8.4187 -8.4187 -8.3903 -8.3902 -8.3132 -8.3131 -8.2970 -8.2970 -1.0283 -1.0282 -1.0209 -1.0209 1.6970 1.6971 1.7004 1.7004 4.6668 4.6668 4.6729 4.6729 6.0603 6.0604 6.0841 6.0841 6.9741 6.9741 6.9830 6.9831 10.0268 10.0268 10.0305 10.0305 11.1656 11.1656 11.1708 11.1708 k = 0.5000 0.2269 0.7959 ( 4560 PWs) bands (ev): -26.5576 -26.5576 -26.5574 -26.5574 -9.4790 -9.4789 -9.4697 -9.4696 -8.4176 -8.4175 -8.3875 -8.3874 -8.3133 -8.3132 -8.2960 -8.2960 -1.0551 -1.0550 -1.0475 -1.0474 1.7444 1.7444 1.7478 1.7479 4.6576 4.6576 4.6640 4.6640 6.0708 6.0708 6.0939 6.0939 7.0125 7.0125 7.0196 7.0197 10.0607 10.0607 10.0635 10.0635 11.0214 11.0214 11.0273 11.0273 k = 0.5000 0.2269 0.7718 ( 4552 PWs) bands (ev): -26.5578 -26.5578 -26.5576 -26.5576 -9.4780 -9.4779 -9.4683 -9.4682 -8.4163 -8.4162 -8.3846 -8.3845 -8.3134 -8.3133 -8.2949 -8.2949 -1.0831 -1.0830 -1.0753 -1.0752 1.7944 1.7944 1.7979 1.7979 4.6479 4.6479 4.6547 4.6547 6.0832 6.0832 6.1058 6.1058 7.0515 7.0515 7.0569 7.0569 10.0958 10.0958 10.0974 10.0974 10.8812 10.8812 10.8879 10.8879 k = 0.5000 0.2269 0.7477 ( 4562 PWs) bands (ev): -26.5580 -26.5580 -26.5578 -26.5578 -9.4769 -9.4768 -9.4670 -9.4668 -8.4148 -8.4148 -8.3817 -8.3816 -8.3134 -8.3134 -8.2939 -8.2938 -1.1122 -1.1121 -1.1042 -1.1041 1.8469 1.8469 1.8505 1.8505 4.6378 4.6378 4.6449 4.6449 6.0976 6.0976 6.1197 6.1197 7.0911 7.0911 7.0949 7.0949 10.1273 10.1273 10.1275 10.1275 10.7503 10.7503 10.7579 10.7579 k = 0.5000 0.2269 0.7235 ( 4562 PWs) bands (ev): -26.5582 -26.5582 -26.5581 -26.5581 -9.4758 -9.4756 -9.4656 -9.4654 -8.4133 -8.4133 -8.3786 -8.3785 -8.3135 -8.3134 -8.2928 -8.2927 -1.1423 -1.1422 -1.1341 -1.1341 1.9018 1.9018 1.9053 1.9054 4.6274 4.6274 4.6350 4.6350 6.1137 6.1138 6.1355 6.1356 7.1315 7.1315 7.1336 7.1336 10.1433 10.1433 10.1449 10.1449 10.6392 10.6392 10.6479 10.6479 k = 0.5000 0.2269 0.6994 ( 4554 PWs) bands (ev): -26.5584 -26.5584 -26.5583 -26.5583 -9.4745 -9.4744 -9.4641 -9.4640 -8.4116 -8.4116 -8.3755 -8.3754 -8.3136 -8.3135 -8.2916 -8.2916 -1.1732 -1.1731 -1.1649 -1.1649 1.9588 1.9588 1.9624 1.9624 4.6170 4.6170 4.6250 4.6250 6.1315 6.1315 6.1531 6.1531 7.1725 7.1725 7.1733 7.1733 10.1262 10.1262 10.1288 10.1288 10.5676 10.5676 10.5767 10.5767 k = 0.5000 0.2269 0.6753 ( 4552 PWs) bands (ev): -26.5586 -26.5586 -26.5585 -26.5585 -9.4732 -9.4731 -9.4627 -9.4625 -8.4098 -8.4098 -8.3722 -8.3722 -8.3136 -8.3136 -8.2905 -8.2905 -1.2048 -1.2047 -1.1965 -1.1964 2.0178 2.0178 2.0214 2.0214 4.6068 4.6068 4.6152 4.6152 6.1507 6.1508 6.1722 6.1723 7.2140 7.2140 7.2145 7.2145 10.0611 10.0611 10.0632 10.0632 10.5514 10.5514 10.5592 10.5592 k = 0.5000 0.2269 0.6512 ( 4548 PWs) bands (ev): -26.5589 -26.5589 -26.5587 -26.5587 -9.4719 -9.4718 -9.4612 -9.4610 -8.4079 -8.4079 -8.3690 -8.3689 -8.3137 -8.3136 -8.2893 -8.2893 -1.2369 -1.2369 -1.2286 -1.2285 2.0786 2.0786 2.0821 2.0822 4.5970 4.5970 4.6059 4.6059 6.1712 6.1712 6.1927 6.1928 7.2558 7.2558 7.2572 7.2572 9.9577 9.9577 9.9586 9.9586 10.5797 10.5798 10.5856 10.5856 k = 0.5000 0.2269 0.6271 ( 4538 PWs) bands (ev): -26.5591 -26.5591 -26.5590 -26.5590 -9.4705 -9.4704 -9.4597 -9.4595 -8.4059 -8.4059 -8.3656 -8.3655 -8.3137 -8.3137 -8.2882 -8.2881 -1.2695 -1.2695 -1.2612 -1.2611 2.1409 2.1409 2.1444 2.1444 4.5880 4.5880 4.5973 4.5973 6.1927 6.1927 6.2144 6.2144 7.2987 7.2987 7.3010 7.3010 9.8342 9.8342 9.8350 9.8350 10.6328 10.6328 10.6368 10.6368 k = 0.5000 0.2269 0.6030 ( 4540 PWs) bands (ev): -26.5593 -26.5593 -26.5592 -26.5592 -9.4690 -9.4689 -9.4582 -9.4580 -8.4038 -8.4038 -8.3622 -8.3621 -8.3138 -8.3137 -8.2870 -8.2870 -1.3024 -1.3023 -1.2941 -1.2940 2.2045 2.2045 2.2079 2.2080 4.5799 4.5799 4.5896 4.5896 6.2149 6.2150 6.2369 6.2369 7.3428 7.3428 7.3456 7.3456 9.7019 9.7020 9.7036 9.7037 10.6988 10.6988 10.7012 10.7012 k = 0.5000 0.2269 0.5788 ( 4542 PWs) bands (ev): -26.5595 -26.5595 -26.5594 -26.5594 -9.4675 -9.4674 -9.4567 -9.4565 -8.4016 -8.4016 -8.3588 -8.3587 -8.3138 -8.3137 -8.2858 -8.2858 -1.3354 -1.3354 -1.3272 -1.3271 2.2690 2.2690 2.2724 2.2724 4.5731 4.5731 4.5832 4.5832 6.2378 6.2378 6.2600 6.2600 7.3880 7.3880 7.3911 7.3911 9.5670 9.5671 9.5696 9.5696 10.7718 10.7718 10.7726 10.7727 k = 0.5000 0.2269 0.5547 ( 4534 PWs) bands (ev): -26.5598 -26.5598 -26.5596 -26.5596 -9.4660 -9.4659 -9.4552 -9.4550 -8.3993 -8.3993 -8.3554 -8.3553 -8.3138 -8.3137 -8.2846 -8.2846 -1.3685 -1.3684 -1.3603 -1.3602 2.3342 2.3342 2.3375 2.3376 4.5679 4.5679 4.5784 4.5784 6.2610 6.2610 6.2835 6.2835 7.4340 7.4340 7.4372 7.4372 9.4323 9.4324 9.4357 9.4357 10.8476 10.8476 10.8481 10.8481 k = 0.5000 0.2269 0.5306 ( 4532 PWs) bands (ev): -26.5600 -26.5600 -26.5599 -26.5599 -9.4644 -9.4643 -9.4537 -9.4535 -8.3969 -8.3969 -8.3520 -8.3519 -8.3138 -8.3137 -8.2835 -8.2835 -1.4013 -1.4013 -1.3933 -1.3932 2.3997 2.3998 2.4030 2.4030 4.5645 4.5645 4.5754 4.5754 6.2842 6.2843 6.3071 6.3072 7.4805 7.4805 7.4836 7.4836 9.2998 9.2998 9.3040 9.3041 10.9232 10.9232 10.9252 10.9252 k = 0.5000 0.2269 0.5065 ( 4540 PWs) bands (ev): -26.5602 -26.5602 -26.5601 -26.5601 -9.4628 -9.4627 -9.4522 -9.4521 -8.3944 -8.3944 -8.3486 -8.3485 -8.3137 -8.3137 -8.2824 -8.2823 -1.4339 -1.4338 -1.4260 -1.4260 2.4653 2.4653 2.4684 2.4685 4.5633 4.5634 4.5745 4.5745 6.3074 6.3075 6.3306 6.3307 7.5268 7.5268 7.5295 7.5295 9.1710 9.1711 9.1762 9.1763 10.9968 10.9968 11.0003 11.0003 k = 0.5000 0.2269 0.4824 ( 4544 PWs) bands (ev): -26.5605 -26.5605 -26.5603 -26.5603 -9.4612 -9.4611 -9.4508 -9.4506 -8.3919 -8.3919 -8.3453 -8.3452 -8.3136 -8.3136 -8.2813 -8.2812 -1.4661 -1.4660 -1.4584 -1.4583 2.5304 2.5304 2.5334 2.5335 4.5646 4.5646 4.5760 4.5760 6.3303 6.3304 6.3538 6.3538 7.5717 7.5717 7.5737 7.5738 9.0479 9.0479 9.0542 9.0542 11.0648 11.0648 11.0700 11.0700 k = 0.5000 0.2269 0.4582 ( 4540 PWs) bands (ev): -26.5607 -26.5607 -26.5605 -26.5605 -9.4596 -9.4594 -9.4493 -9.4492 -8.3893 -8.3893 -8.3421 -8.3420 -8.3135 -8.3134 -8.2802 -8.2802 -1.4976 -1.4975 -1.4901 -1.4901 2.5947 2.5947 2.5977 2.5977 4.5686 4.5686 4.5802 4.5802 6.3528 6.3528 6.3764 6.3764 7.6136 7.6136 7.6147 7.6148 8.9326 8.9326 8.9401 8.9402 11.1205 11.1205 11.1283 11.1283 k = 0.5000 0.2269 0.4341 ( 4528 PWs) bands (ev): -26.5609 -26.5609 -26.5608 -26.5607 -9.4579 -9.4578 -9.4480 -9.4478 -8.3867 -8.3867 -8.3391 -8.3391 -8.3131 -8.3131 -8.2792 -8.2791 -1.5285 -1.5284 -1.5212 -1.5212 2.6578 2.6579 2.6607 2.6607 4.5757 4.5757 4.5874 4.5874 6.3746 6.3746 6.3983 6.3983 7.6498 7.6498 7.6500 7.6500 8.8281 8.8281 8.8371 8.8371 11.1492 11.1493 11.1614 11.1614 k = 0.5000 0.2269 0.4100 ( 4512 PWs) bands (ev): -26.5611 -26.5611 -26.5610 -26.5610 -9.4563 -9.4562 -9.4466 -9.4465 -8.3840 -8.3840 -8.3364 -8.3363 -8.3126 -8.3125 -8.2782 -8.2782 -1.5585 -1.5584 -1.5515 -1.5514 2.7193 2.7193 2.7221 2.7221 4.5860 4.5860 4.5977 4.5977 6.3957 6.3957 6.4193 6.4193 7.6754 7.6754 7.6768 7.6768 8.7385 8.7385 8.7490 8.7491 11.1331 11.1332 11.1496 11.1497 k = 0.5000 0.2269 0.3859 ( 4524 PWs) bands (ev): -26.5613 -26.5613 -26.5612 -26.5612 -9.4547 -9.4546 -9.4453 -9.4452 -8.3813 -8.3813 -8.3340 -8.3339 -8.3119 -8.3118 -8.2773 -8.2773 -1.5875 -1.5875 -1.5809 -1.5808 2.7787 2.7788 2.7814 2.7814 4.5999 4.5999 4.6115 4.6115 6.4159 6.4159 6.4393 6.4393 7.6869 7.6869 7.6896 7.6896 8.6687 8.6687 8.6808 8.6809 11.0840 11.0840 11.1021 11.1022 k = 0.5000 0.2269 0.3618 ( 4530 PWs) bands (ev): -26.5615 -26.5615 -26.5613 -26.5613 -9.4531 -9.4530 -9.4441 -9.4440 -8.3786 -8.3786 -8.3321 -8.3320 -8.3108 -8.3107 -8.2765 -8.2764 -1.6155 -1.6154 -1.6091 -1.6090 2.8357 2.8357 2.8382 2.8383 4.6174 4.6174 4.6288 4.6288 6.4352 6.4352 6.4581 6.4581 7.6797 7.6797 7.6835 7.6835 8.6238 8.6238 8.6372 8.6373 11.0235 11.0235 11.0419 11.0419 k = 0.5000 0.2269 0.3377 ( 4536 PWs) bands (ev): -26.5617 -26.5617 -26.5615 -26.5615 -9.4516 -9.4514 -9.4430 -9.4429 -8.3758 -8.3758 -8.3306 -8.3305 -8.3093 -8.3092 -8.2757 -8.2757 -1.6422 -1.6422 -1.6362 -1.6361 2.8898 2.8899 2.8923 2.8923 4.6386 4.6386 4.6498 4.6498 6.4535 6.4535 6.4758 6.4758 7.6514 7.6514 7.6556 7.6556 8.6067 8.6067 8.6209 8.6209 10.9607 10.9607 10.9790 10.9790 k = 0.5000 0.2269 0.3135 ( 4540 PWs) bands (ev): -26.5618 -26.5618 -26.5617 -26.5617 -9.4500 -9.4499 -9.4419 -9.4418 -8.3731 -8.3731 -8.3296 -8.3295 -8.3075 -8.3074 -8.2751 -8.2750 -1.6676 -1.6676 -1.6619 -1.6619 2.9407 2.9408 2.9431 2.9431 4.6637 4.6637 4.6745 4.6745 6.4707 6.4708 6.4922 6.4922 7.6028 7.6029 7.6070 7.6070 8.6167 8.6167 8.6310 8.6311 10.8986 10.8986 10.9167 10.9167 k = 0.5000 0.2269 0.2894 ( 4532 PWs) bands (ev): -26.5620 -26.5620 -26.5619 -26.5619 -9.4486 -9.4484 -9.4409 -9.4408 -8.3704 -8.3704 -8.3291 -8.3290 -8.3054 -8.3052 -8.2745 -8.2745 -1.6916 -1.6915 -1.6863 -1.6862 2.9881 2.9882 2.9904 2.9904 4.6924 4.6924 4.7028 4.7028 6.4870 6.4870 6.5073 6.5073 7.5381 7.5381 7.5415 7.5416 8.6497 8.6497 8.6637 8.6637 10.8386 10.8386 10.8563 10.8563 k = 0.5000 0.2269 0.2653 ( 4536 PWs) bands (ev): -26.5622 -26.5622 -26.5620 -26.5620 -9.4471 -9.4470 -9.4400 -9.4399 -8.3677 -8.3676 -8.3291 -8.3289 -8.3030 -8.3029 -8.2741 -8.2740 -1.7140 -1.7140 -1.7091 -1.7090 3.0318 3.0318 3.0339 3.0340 4.7245 4.7245 4.7344 4.7344 6.5022 6.5022 6.5212 6.5212 7.4621 7.4621 7.4647 7.4647 8.7004 8.7005 8.7139 8.7139 10.7811 10.7811 10.7984 10.7984 k = 0.5000 0.2269 0.2412 ( 4528 PWs) bands (ev): -26.5623 -26.5623 -26.5622 -26.5622 -9.4458 -9.4456 -9.4392 -9.4391 -8.3650 -8.3650 -8.3293 -8.3292 -8.3006 -8.3004 -8.2738 -8.2737 -1.7348 -1.7347 -1.7303 -1.7302 3.0715 3.0715 3.0735 3.0736 4.7596 4.7596 4.7689 4.7689 6.5164 6.5164 6.5338 6.5338 7.3797 7.3797 7.3813 7.3813 8.7641 8.7641 8.7769 8.7769 10.7263 10.7263 10.7431 10.7431 k = 0.5000 0.2269 0.2171 ( 4524 PWs) bands (ev): -26.5624 -26.5624 -26.5623 -26.5623 -9.4445 -9.4444 -9.4385 -9.4383 -8.3624 -8.3623 -8.3298 -8.3296 -8.2980 -8.2979 -8.2736 -8.2735 -1.7539 -1.7538 -1.7497 -1.7497 3.1072 3.1072 3.1091 3.1092 4.7972 4.7972 4.8058 4.8058 6.5296 6.5296 6.5452 6.5452 7.2945 7.2945 7.2951 7.2952 8.8366 8.8366 8.8488 8.8488 10.6744 10.6744 10.6905 10.6905 k = 0.5000 0.2269 0.1929 ( 4514 PWs) bands (ev): -26.5626 -26.5626 -26.5624 -26.5624 -9.4433 -9.4431 -9.4378 -9.4377 -8.3598 -8.3597 -8.3305 -8.3304 -8.2955 -8.2954 -8.2736 -8.2735 -1.7711 -1.7711 -1.7674 -1.7674 3.1388 3.1389 3.1406 3.1407 4.8365 4.8365 4.8443 4.8443 6.5419 6.5419 6.5555 6.5555 7.2091 7.2091 7.2098 7.2098 8.9149 8.9149 8.9263 8.9263 10.6252 10.6252 10.6406 10.6406 k = 0.5000 0.2269 0.1688 ( 4518 PWs) bands (ev): -26.5627 -26.5627 -26.5625 -26.5625 -9.4421 -9.4420 -9.4373 -9.4372 -8.3572 -8.3572 -8.3314 -8.3313 -8.2930 -8.2929 -8.2737 -8.2736 -1.7865 -1.7864 -1.7832 -1.7832 3.1664 3.1665 3.1681 3.1681 4.8764 4.8764 4.8834 4.8834 6.5534 6.5534 6.5649 6.5649 7.1259 7.1259 7.1274 7.1275 8.9961 8.9961 9.0068 9.0068 10.5788 10.5788 10.5933 10.5934 k = 0.5000 0.2269 0.1447 ( 4510 PWs) bands (ev): -26.5628 -26.5628 -26.5626 -26.5626 -9.4411 -9.4410 -9.4369 -9.4368 -8.3548 -8.3547 -8.3324 -8.3323 -8.2906 -8.2905 -8.2739 -8.2739 -1.8000 -1.7999 -1.7971 -1.7970 3.1901 3.1901 3.1916 3.1916 4.9158 4.9158 4.9219 4.9219 6.5642 6.5642 6.5733 6.5733 7.0474 7.0475 7.0498 7.0499 9.0776 9.0776 9.0876 9.0876 10.5351 10.5351 10.5486 10.5486 k = 0.5000 0.2269 0.1206 ( 4504 PWs) bands (ev): -26.5628 -26.5628 -26.5627 -26.5627 -9.4401 -9.4400 -9.4366 -9.4365 -8.3524 -8.3523 -8.3337 -8.3336 -8.2884 -8.2882 -8.2744 -8.2743 -1.8114 -1.8113 -1.8090 -1.8089 3.2098 3.2099 3.2111 3.2112 4.9533 4.9533 4.9585 4.9585 6.5743 6.5743 6.5811 6.5811 6.9755 6.9756 6.9787 6.9787 9.1568 9.1568 9.1659 9.1659 10.4943 10.4943 10.5067 10.5067 k = 0.5000 0.2269 0.0965 ( 4504 PWs) bands (ev): -26.5629 -26.5629 -26.5628 -26.5628 -9.4393 -9.4392 -9.4365 -9.4363 -8.3500 -8.3500 -8.3350 -8.3349 -8.2862 -8.2861 -8.2750 -8.2749 -1.8208 -1.8207 -1.8188 -1.8187 3.2258 3.2259 3.2269 3.2269 4.9873 4.9873 4.9915 4.9915 6.5839 6.5839 6.5885 6.5885 6.9121 6.9122 6.9158 6.9158 9.2305 9.2305 9.2385 9.2385 10.4573 10.4573 10.4680 10.4680 k = 0.5000 0.2269 0.0724 ( 4496 PWs) bands (ev): -26.5629 -26.5629 -26.5628 -26.5628 -9.4385 -9.4384 -9.4364 -9.4363 -8.3478 -8.3477 -8.3365 -8.3364 -8.2842 -8.2841 -8.2758 -8.2757 -1.8280 -1.8280 -1.8265 -1.8265 3.2382 3.2382 3.2390 3.2390 5.0162 5.0162 5.0194 5.0194 6.5928 6.5928 6.5954 6.5954 6.8591 6.8592 6.8629 6.8629 9.2950 9.2950 9.3016 9.3016 10.4251 10.4251 10.4338 10.4338 k = 0.5000 0.2269 0.0482 ( 4496 PWs) bands (ev): -26.5630 -26.5630 -26.5628 -26.5628 -9.4379 -9.4378 -9.4365 -9.4364 -8.3457 -8.3456 -8.3381 -8.3380 -8.2824 -8.2823 -8.2767 -8.2766 -1.8332 -1.8332 -1.8321 -1.8321 3.2470 3.2470 3.2475 3.2475 5.0385 5.0385 5.0407 5.0407 6.6006 6.6006 6.6017 6.6017 6.8187 6.8187 6.8219 6.8220 9.3462 9.3462 9.3509 9.3510 10.3997 10.3997 10.4060 10.4060 k = 0.5000 0.2269 0.0241 ( 4500 PWs) bands (ev): -26.5630 -26.5630 -26.5629 -26.5629 -9.4374 -9.4372 -9.4367 -9.4365 -8.3436 -8.3435 -8.3398 -8.3397 -8.2807 -8.2806 -8.2779 -8.2778 -1.8363 -1.8362 -1.8356 -1.8355 3.2522 3.2523 3.2525 3.2526 5.0526 5.0526 5.0538 5.0538 6.6062 6.6062 6.6067 6.6067 6.7932 6.7932 6.7952 6.7952 9.3798 9.3798 9.3823 9.3823 10.3838 10.3838 10.3870 10.3870 k = 0.5000 0.2269 0.0000 ( 4508 PWs) bands (ev): -26.5630 -26.5630 -26.5629 -26.5629 -9.4370 -9.4370 -9.4368 -9.4368 -8.3417 -8.3417 -8.3416 -8.3416 -8.2792 -8.2792 -8.2791 -8.2791 -1.8372 -1.8372 -1.8367 -1.8367 3.2541 3.2541 3.2541 3.2541 5.0575 5.0575 5.0582 5.0582 6.6082 6.6082 6.6087 6.6087 6.7849 6.7849 6.7853 6.7853 9.3923 9.3923 9.3924 9.3924 10.3792 10.3792 10.3793 10.3793 k = 0.0000 0.0000 1.2099 ( 4564 PWs) bands (ev): -26.5557 -26.5557 -26.5555 -26.5555 -9.4845 -9.4845 -9.4844 -9.4844 -8.4198 -8.4198 -8.4197 -8.4197 -8.3088 -8.3088 -8.3087 -8.3087 -0.8097 -0.8097 -0.8096 -0.8096 1.3320 1.3320 1.3320 1.3320 4.7200 4.7200 4.7200 4.7200 6.1042 6.1042 6.1042 6.1042 6.5667 6.5667 6.5668 6.5668 9.9551 9.9551 9.9551 9.9551 11.6902 11.6902 11.6902 11.6902 k = 0.0208 0.0095 1.2099 ( 4560 PWs) bands (ev): -26.5557 -26.5557 -26.5555 -26.5555 -9.4847 -9.4845 -9.4843 -9.4842 -8.4220 -8.4219 -8.4176 -8.4175 -8.3109 -8.3108 -8.3068 -8.3067 -0.8102 -0.8101 -0.8091 -0.8090 1.3307 1.3307 1.3333 1.3333 4.7184 4.7184 4.7221 4.7221 6.0983 6.0983 6.1035 6.1035 6.5686 6.5687 6.5730 6.5731 9.9479 9.9479 9.9512 9.9513 11.6995 11.6995 11.7014 11.7014 k = 0.0417 0.0189 1.2099 ( 4556 PWs) bands (ev): -26.5557 -26.5557 -26.5555 -26.5555 -9.4848 -9.4847 -9.4842 -9.4840 -8.4241 -8.4240 -8.4152 -8.4152 -8.3131 -8.3130 -8.3049 -8.3048 -0.8107 -0.8106 -0.8086 -0.8085 1.3294 1.3294 1.3346 1.3346 4.7172 4.7172 4.7247 4.7247 6.0864 6.0864 6.0964 6.0964 6.5783 6.5784 6.5867 6.5867 9.9303 9.9303 9.9368 9.9368 11.7289 11.7290 11.7326 11.7326 k = 0.0625 0.0284 1.2099 ( 4554 PWs) bands (ev): -26.5557 -26.5557 -26.5555 -26.5555 -9.4850 -9.4848 -9.4840 -9.4839 -8.4260 -8.4259 -8.4129 -8.4128 -8.3152 -8.3151 -8.3031 -8.3030 -0.8112 -0.8111 -0.8081 -0.8080 1.3282 1.3282 1.3359 1.3359 4.7165 4.7165 4.7276 4.7276 6.0700 6.0701 6.0841 6.0841 6.5944 6.5945 6.6061 6.6062 9.9039 9.9039 9.9134 9.9134 11.7768 11.7768 11.7821 11.7821 k = 0.0833 0.0378 1.2099 ( 4542 PWs) bands (ev): -26.5557 -26.5557 -26.5555 -26.5555 -9.4851 -9.4850 -9.4839 -9.4837 -8.4278 -8.4277 -8.4106 -8.4105 -8.3174 -8.3173 -8.3015 -8.3014 -0.8117 -0.8116 -0.8077 -0.8076 1.3270 1.3270 1.3370 1.3370 4.7162 4.7162 4.7307 4.7307 6.0509 6.0510 6.0684 6.0684 6.6151 6.6152 6.6294 6.6294 9.8713 9.8713 9.8834 9.8834 11.8408 11.8408 11.8473 11.8473 k = 0.1042 0.0473 1.2099 ( 4538 PWs) bands (ev): -26.5557 -26.5557 -26.5555 -26.5555 -9.4852 -9.4851 -9.4837 -9.4836 -8.4294 -8.4293 -8.4084 -8.4083 -8.3195 -8.3194 -8.3000 -8.2999 -0.8121 -0.8120 -0.8072 -0.8071 1.3259 1.3259 1.3381 1.3381 4.7163 4.7163 4.7340 4.7340 6.0307 6.0308 6.0509 6.0510 6.6383 6.6384 6.6546 6.6547 9.8351 9.8351 9.8494 9.8494 11.9181 11.9181 11.9256 11.9256 k = 0.1250 0.0567 1.2099 ( 4536 PWs) bands (ev): -26.5557 -26.5557 -26.5555 -26.5555 -9.4854 -9.4852 -9.4836 -9.4835 -8.4308 -8.4307 -8.4063 -8.4062 -8.3215 -8.3214 -8.2987 -8.2986 -0.8125 -0.8124 -0.8068 -0.8067 1.3249 1.3249 1.3391 1.3391 4.7166 4.7166 4.7373 4.7373 6.0108 6.0108 6.0332 6.0333 6.6622 6.6623 6.6801 6.6801 9.7979 9.7979 9.8142 9.8142 12.0060 12.0060 12.0141 12.0142 k = 0.1458 0.0662 1.2099 ( 4536 PWs) bands (ev): -26.5557 -26.5557 -26.5555 -26.5555 -9.4855 -9.4853 -9.4835 -9.4834 -8.4320 -8.4320 -8.4043 -8.4042 -8.3233 -8.3232 -8.2976 -8.2975 -0.8129 -0.8128 -0.8065 -0.8064 1.3240 1.3241 1.3400 1.3400 4.7171 4.7172 4.7405 4.7405 5.9922 5.9923 6.0165 6.0165 6.6852 6.6852 6.7043 6.7043 9.7622 9.7623 9.7801 9.7801 12.1017 12.1017 12.1103 12.1103 k = 0.1667 0.0756 1.2099 ( 4534 PWs) bands (ev): -26.5557 -26.5557 -26.5555 -26.5555 -9.4856 -9.4854 -9.4834 -9.4833 -8.4330 -8.4330 -8.4026 -8.4025 -8.3250 -8.3248 -8.2966 -8.2966 -0.8131 -0.8130 -0.8062 -0.8061 1.3233 1.3233 1.3407 1.3407 4.7177 4.7177 4.7433 4.7433 5.9760 5.9760 6.0016 6.0017 6.7059 6.7059 6.7259 6.7260 9.7301 9.7301 9.7493 9.7493 12.2027 12.2027 12.2115 12.2115 k = 0.1875 0.0851 1.2099 ( 4534 PWs) bands (ev): -26.5557 -26.5557 -26.5555 -26.5555 -9.4856 -9.4855 -9.4833 -9.4832 -8.4338 -8.4338 -8.4012 -8.4011 -8.3263 -8.3262 -8.2959 -8.2958 -0.8134 -0.8133 -0.8059 -0.8058 1.3227 1.3227 1.3413 1.3413 4.7183 4.7183 4.7457 4.7457 5.9626 5.9627 5.9894 5.9895 6.7232 6.7232 6.7439 6.7440 9.7033 9.7033 9.7235 9.7235 12.3062 12.3063 12.3150 12.3150 k = 0.2083 0.0945 1.2099 ( 4534 PWs) bands (ev): -26.5557 -26.5557 -26.5555 -26.5555 -9.4857 -9.4855 -9.4833 -9.4832 -8.4344 -8.4344 -8.4002 -8.4000 -8.3273 -8.3272 -8.2954 -8.2953 -0.8135 -0.8134 -0.8058 -0.8057 1.3223 1.3223 1.3417 1.3417 4.7188 4.7188 4.7475 4.7475 5.9528 5.9528 5.9803 5.9804 6.7362 6.7362 6.7574 6.7575 9.6831 9.6831 9.7041 9.7041 12.4091 12.4092 12.4173 12.4173 k = 0.2292 0.1040 1.2099 ( 4530 PWs) bands (ev): -26.5557 -26.5557 -26.5555 -26.5555 -9.4857 -9.4856 -9.4833 -9.4831 -8.4348 -8.4347 -8.3995 -8.3994 -8.3279 -8.3278 -8.2950 -8.2950 -0.8136 -0.8135 -0.8057 -0.8056 1.3221 1.3221 1.3420 1.3420 4.7191 4.7191 4.7486 4.7486 5.9467 5.9468 5.9747 5.9748 6.7442 6.7443 6.7658 6.7659 9.6706 9.6706 9.6920 9.6920 12.5051 12.5051 12.5114 12.5114 k = 0.2500 0.1135 1.2099 ( 4532 PWs) bands (ev): -26.5557 -26.5557 -26.5555 -26.5555 -9.4857 -9.4856 -9.4832 -9.4831 -8.4349 -8.4348 -8.3993 -8.3992 -8.3281 -8.3280 -8.2949 -8.2949 -0.8137 -0.8136 -0.8056 -0.8055 1.3220 1.3220 1.3421 1.3421 4.7192 4.7192 4.7490 4.7490 5.9447 5.9447 5.9729 5.9729 6.7470 6.7470 6.7687 6.7687 9.6664 9.6664 9.6879 9.6879 12.5608 12.5608 12.5637 12.5638 Writing output data file SrSi2.save init_run : 0.32s CPU 0.48s WALL ( 1 calls) electrons : 241.04s CPU 243.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 241.03s CPU 243.83s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 313 calls) cegterg : 217.55s CPU 219.63s WALL ( 534 calls) Called by sum_band: Called by *egterg: h_psi : 168.87s CPU 170.72s WALL ( 8585 calls) s_psi : 7.44s CPU 7.46s WALL ( 8585 calls) g_psi : 0.20s CPU 0.23s WALL ( 7738 calls) cdiaghg : 45.56s CPU 45.97s WALL ( 8051 calls) cegterg:over : 5.27s CPU 5.27s WALL ( 7738 calls) cegterg:upda : 5.20s CPU 5.32s WALL ( 7738 calls) cegterg:last : 2.62s CPU 2.67s WALL ( 1447 calls) cdiaghg:chol : 2.70s CPU 2.70s WALL ( 8051 calls) cdiaghg:inve : 1.60s CPU 1.53s WALL ( 8051 calls) cdiaghg:para : 2.77s CPU 2.71s WALL ( 16102 calls) Called by h_psi: h_psi:vloc : 152.74s CPU 154.27s WALL ( 8585 calls) h_psi:vnl : 15.99s CPU 16.24s WALL ( 8585 calls) add_vuspsi : 8.84s CPU 8.92s WALL ( 8585 calls) General routines calbec : 7.12s CPU 7.29s WALL ( 8585 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 142.04s CPU 143.41s WALL ( 724264 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.22s WALL ( 626 calls) Parallel routines fft_scatter : 41.92s CPU 42.09s WALL ( 724287 calls) PWSCF : 4m15.60s CPU 4m43.90s WALL This run was terminated on: 21:26:55 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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