Program PWSCF v.5.1.1 starts on 23Oct2015 at 0: 1:11 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Al2CdSe4.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 165 39 11 6817 776 120 Max 166 40 12 6820 801 123 Sum 7945 1877 545 327253 37859 5817 bravais-lattice index = 14 lattice parameter (alat) = 12.7377 a.u. unit-cell volume = 1198.7367 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.737699 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.636480 celldm(5)= -0.636480 celldm(6)= 0.272960 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.272960 0.962026 0.000000 ) a(3) = ( -0.636480 -0.481013 0.602926 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.283734 0.829289 ) b(2) = ( 0.000000 1.039473 0.829289 ) b(3) = ( 0.000000 0.000000 1.658577 ) PseudoPot. # 1 for Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 Cd 12.00 112.41100 Cd( 1.00) Se 6.00 78.96000 Se( 1.00) Al 3.00 26.98150 Al( 1.00) No symmetry found 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: E 1 -E -1 Cartesian axes number of k points= 275 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0000000 0.0212638), wk = 0.0036364 k( 3) = ( 0.0000000 0.0000000 0.0425276), wk = 0.0036364 k( 4) = ( 0.0000000 0.0000000 0.0637914), wk = 0.0036364 k( 5) = ( 0.0000000 0.0000000 0.0850552), wk = 0.0036364 k( 6) = ( 0.0000000 0.0000000 0.1063191), wk = 0.0036364 k( 7) = ( 0.0000000 0.0000000 0.1275829), wk = 0.0036364 k( 8) = ( 0.0000000 0.0000000 0.1488467), wk = 0.0036364 k( 9) = ( 0.0000000 0.0000000 0.1701105), wk = 0.0036364 k( 10) = ( 0.0000000 0.0000000 0.1913743), wk = 0.0036364 k( 11) = ( 0.0000000 0.0000000 0.2126381), wk = 0.0036364 k( 12) = ( 0.0000000 0.0000000 0.2339019), wk = 0.0036364 k( 13) = ( 0.0000000 0.0000000 0.2551657), wk = 0.0036364 k( 14) = ( 0.0000000 0.0000000 0.2764296), wk = 0.0036364 k( 15) = ( 0.0000000 0.0000000 0.2976934), wk = 0.0036364 k( 16) = ( 0.0000000 0.0000000 0.3189572), wk = 0.0036364 k( 17) = ( 0.0000000 0.0000000 0.3402210), wk = 0.0036364 k( 18) = ( 0.0000000 0.0000000 0.3614848), wk = 0.0036364 k( 19) = ( 0.0000000 0.0000000 0.3827486), wk = 0.0036364 k( 20) = ( 0.0000000 0.0000000 0.4040124), wk = 0.0036364 k( 21) = ( 0.0000000 0.0000000 0.4252762), wk = 0.0036364 k( 22) = ( 0.0000000 0.0000000 0.4465400), wk = 0.0036364 k( 23) = ( 0.0000000 0.0000000 0.4678039), wk = 0.0036364 k( 24) = ( 0.0000000 0.0000000 0.4890677), wk = 0.0036364 k( 25) = ( 0.0000000 0.0000000 0.5103315), wk = 0.0036364 k( 26) = ( 0.0000000 0.0000000 0.5315953), wk = 0.0036364 k( 27) = ( 0.0000000 0.0000000 0.5528591), wk = 0.0036364 k( 28) = ( 0.0000000 0.0000000 0.5741229), wk = 0.0036364 k( 29) = ( 0.0000000 0.0000000 0.5953867), wk = 0.0036364 k( 30) = ( 0.0000000 0.0000000 0.6166505), wk = 0.0036364 k( 31) = ( 0.0000000 0.0000000 0.6379143), wk = 0.0036364 k( 32) = ( 0.0000000 0.0000000 0.6591782), wk = 0.0036364 k( 33) = ( 0.0000000 0.0000000 0.6804420), wk = 0.0036364 k( 34) = ( 0.0000000 0.0000000 0.7017058), wk = 0.0036364 k( 35) = ( 0.0000000 0.0000000 0.7229696), wk = 0.0036364 k( 36) = ( 0.0000000 0.0000000 0.7442334), wk = 0.0036364 k( 37) = ( 0.0000000 0.0000000 0.7654972), wk = 0.0036364 k( 38) = ( 0.0000000 0.0000000 0.7867610), wk = 0.0036364 k( 39) = ( 0.0000000 0.0000000 0.8080249), wk = 0.0036364 k( 40) = ( 0.0000000 0.0000000 0.8292887), wk = 0.0036364 k( 41) = ( 0.0000000 0.0000000 0.8292887), wk = 0.0036364 k( 42) = ( -0.0118988 0.0157446 0.8292887), wk = 0.0036364 k( 43) = ( -0.0237976 0.0314891 0.8292887), wk = 0.0036364 k( 44) = ( -0.0356964 0.0472337 0.8292887), wk = 0.0036364 k( 45) = ( -0.0475952 0.0629783 0.8292887), wk = 0.0036364 k( 46) = ( -0.0594939 0.0787228 0.8292887), wk = 0.0036364 k( 47) = ( -0.0713927 0.0944674 0.8292887), wk = 0.0036364 k( 48) = ( -0.0832915 0.1102120 0.8292887), wk = 0.0036364 k( 49) = ( -0.0951903 0.1259565 0.8292887), wk = 0.0036364 k( 50) = ( -0.1070891 0.1417011 0.8292887), wk = 0.0036364 k( 51) = ( -0.1189879 0.1574457 0.8292887), wk = 0.0036364 k( 52) = ( -0.1308867 0.1731902 0.8292887), wk = 0.0036364 k( 53) = ( -0.1427855 0.1889348 0.8292887), wk = 0.0036364 k( 54) = ( -0.1427855 0.1889348 0.8292887), wk = 0.0036364 k( 55) = ( -0.1517158 0.2007515 0.8144770), wk = 0.0036364 k( 56) = ( -0.1606462 0.2125683 0.7996653), wk = 0.0036364 k( 57) = ( -0.1695765 0.2243850 0.7848536), wk = 0.0036364 k( 58) = ( -0.1785069 0.2362017 0.7700419), wk = 0.0036364 k( 59) = ( -0.1874373 0.2480184 0.7552302), wk = 0.0036364 k( 60) = ( -0.1963676 0.2598352 0.7404185), wk = 0.0036364 k( 61) = ( -0.2052980 0.2716519 0.7256068), wk = 0.0036364 k( 62) = ( -0.2142284 0.2834686 0.7107951), wk = 0.0036364 k( 63) = ( -0.2231587 0.2952853 0.6959834), wk = 0.0036364 k( 64) = ( -0.2320891 0.3071021 0.6811717), wk = 0.0036364 k( 65) = ( -0.2410194 0.3189188 0.6663600), wk = 0.0036364 k( 66) = ( -0.2499498 0.3307355 0.6515483), wk = 0.0036364 k( 67) = ( -0.2588802 0.3425523 0.6367366), wk = 0.0036364 k( 68) = ( -0.2678105 0.3543690 0.6219249), wk = 0.0036364 k( 69) = ( -0.2767409 0.3661857 0.6071132), wk = 0.0036364 k( 70) = ( -0.2856713 0.3780024 0.5923015), wk = 0.0036364 k( 71) = ( -0.2946016 0.3898192 0.5774898), wk = 0.0036364 k( 72) = ( -0.3035320 0.4016359 0.5626781), wk = 0.0036364 k( 73) = ( -0.3124624 0.4134526 0.5478664), wk = 0.0036364 k( 74) = ( -0.3213927 0.4252693 0.5330547), wk = 0.0036364 k( 75) = ( -0.3213927 0.4252693 0.5330547), wk = 0.0036364 k( 76) = ( -0.3124652 0.4134563 0.5182476), wk = 0.0036364 k( 77) = ( -0.3035376 0.4016433 0.5034405), wk = 0.0036364 k( 78) = ( -0.2946100 0.3898302 0.4886335), wk = 0.0036364 k( 79) = ( -0.2856824 0.3780172 0.4738264), wk = 0.0036364 k( 80) = ( -0.2767548 0.3662042 0.4590193), wk = 0.0036364 k( 81) = ( -0.2678273 0.3543911 0.4442122), wk = 0.0036364 k( 82) = ( -0.2588997 0.3425781 0.4294052), wk = 0.0036364 k( 83) = ( -0.2499721 0.3307650 0.4145981), wk = 0.0036364 k( 84) = ( -0.2410445 0.3189520 0.3997910), wk = 0.0036364 k( 85) = ( -0.2321170 0.3071390 0.3849839), wk = 0.0036364 k( 86) = ( -0.2231894 0.2953259 0.3701769), wk = 0.0036364 k( 87) = ( -0.2142618 0.2835129 0.3553698), wk = 0.0036364 k( 88) = ( -0.2053342 0.2716999 0.3405627), wk = 0.0036364 k( 89) = ( -0.1964067 0.2598868 0.3257556), wk = 0.0036364 k( 90) = ( -0.1874791 0.2480738 0.3109486), wk = 0.0036364 k( 91) = ( -0.1785515 0.2362607 0.2961415), wk = 0.0036364 k( 92) = ( -0.1696239 0.2244477 0.2813344), wk = 0.0036364 k( 93) = ( -0.1606964 0.2126347 0.2665273), wk = 0.0036364 k( 94) = ( -0.1517688 0.2008216 0.2517203), wk = 0.0036364 k( 95) = ( -0.1428412 0.1890086 0.2369132), wk = 0.0036364 k( 96) = ( -0.1339136 0.1771956 0.2221061), wk = 0.0036364 k( 97) = ( -0.1249861 0.1653825 0.2072990), wk = 0.0036364 k( 98) = ( -0.1160585 0.1535695 0.1924920), wk = 0.0036364 k( 99) = ( -0.1071309 0.1417564 0.1776849), wk = 0.0036364 k( 100) = ( -0.0982033 0.1299434 0.1628778), wk = 0.0036364 k( 101) = ( -0.0892758 0.1181304 0.1480708), wk = 0.0036364 k( 102) = ( -0.0803482 0.1063173 0.1332637), wk = 0.0036364 k( 103) = ( -0.0714206 0.0945043 0.1184566), wk = 0.0036364 k( 104) = ( -0.0624930 0.0826913 0.1036495), wk = 0.0036364 k( 105) = ( -0.0535655 0.0708782 0.0888424), wk = 0.0036364 k( 106) = ( -0.0446379 0.0590652 0.0740354), wk = 0.0036364 k( 107) = ( -0.0357103 0.0472521 0.0592283), wk = 0.0036364 k( 108) = ( -0.0267827 0.0354391 0.0444212), wk = 0.0036364 k( 109) = ( -0.0178552 0.0236261 0.0296141), wk = 0.0036364 k( 110) = ( -0.0089276 0.0118130 0.0148071), wk = 0.0036364 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 113) = ( 0.0166667 0.0125957 -0.0000000), wk = 0.0036364 k( 114) = ( 0.0333333 0.0251913 0.0000000), wk = 0.0036364 k( 115) = ( 0.0500000 0.0377870 0.0000000), wk = 0.0036364 k( 116) = ( 0.0666667 0.0503826 0.0000000), wk = 0.0036364 k( 117) = ( 0.0833333 0.0629783 0.0000000), wk = 0.0036364 k( 118) = ( 0.1000000 0.0755739 0.0000000), wk = 0.0036364 k( 119) = ( 0.1166667 0.0881696 0.0000000), wk = 0.0036364 k( 120) = ( 0.1333333 0.1007652 0.0000000), wk = 0.0036364 k( 121) = ( 0.1500000 0.1133609 0.0000000), wk = 0.0036364 k( 122) = ( 0.1666667 0.1259565 -0.0000000), wk = 0.0036364 k( 123) = ( 0.1833333 0.1385522 0.0000000), wk = 0.0036364 k( 124) = ( 0.2000000 0.1511478 0.0000000), wk = 0.0036364 k( 125) = ( 0.2166667 0.1637435 0.0000000), wk = 0.0036364 k( 126) = ( 0.2333333 0.1763392 -0.0000000), wk = 0.0036364 k( 127) = ( 0.2500000 0.1889348 0.0000000), wk = 0.0036364 k( 128) = ( 0.2666667 0.2015305 0.0000000), wk = 0.0036364 k( 129) = ( 0.2833333 0.2141261 -0.0000000), wk = 0.0036364 k( 130) = ( 0.3000000 0.2267218 0.0000000), wk = 0.0036364 k( 131) = ( 0.3166667 0.2393174 -0.0000000), wk = 0.0036364 k( 132) = ( 0.3333333 0.2519131 0.0000000), wk = 0.0036364 k( 133) = ( 0.3500000 0.2645087 0.0000000), wk = 0.0036364 k( 134) = ( 0.3666667 0.2771044 0.0000000), wk = 0.0036364 k( 135) = ( 0.3833333 0.2897000 0.0000000), wk = 0.0036364 k( 136) = ( 0.4000000 0.3022957 0.0000000), wk = 0.0036364 k( 137) = ( 0.4166667 0.3148913 0.0000000), wk = 0.0036364 k( 138) = ( 0.4333333 0.3274870 0.0000000), wk = 0.0036364 k( 139) = ( 0.4500000 0.3400827 0.0000000), wk = 0.0036364 k( 140) = ( 0.4666667 0.3526783 0.0000000), wk = 0.0036364 k( 141) = ( 0.4833333 0.3652740 0.0000000), wk = 0.0036364 k( 142) = ( 0.5000000 0.3778696 0.0000000), wk = 0.0036364 k( 143) = ( 0.5000000 0.3778696 0.0000000), wk = 0.0036364 k( 144) = ( 0.4910696 0.3896863 0.0148117), wk = 0.0036364 k( 145) = ( 0.4821393 0.4015031 0.0296234), wk = 0.0036364 k( 146) = ( 0.4732089 0.4133198 0.0444351), wk = 0.0036364 k( 147) = ( 0.4642785 0.4251365 0.0592468), wk = 0.0036364 k( 148) = ( 0.4553482 0.4369533 0.0740585), wk = 0.0036364 k( 149) = ( 0.4464178 0.4487700 0.0888702), wk = 0.0036364 k( 150) = ( 0.4374874 0.4605867 0.1036819), wk = 0.0036364 k( 151) = ( 0.4285571 0.4724034 0.1184936), wk = 0.0036364 k( 152) = ( 0.4196267 0.4842201 0.1333053), wk = 0.0036364 k( 153) = ( 0.4106964 0.4960369 0.1481170), wk = 0.0036364 k( 154) = ( 0.4017660 0.5078536 0.1629287), wk = 0.0036364 k( 155) = ( 0.3928356 0.5196703 0.1777404), wk = 0.0036364 k( 156) = ( 0.3839053 0.5314871 0.1925521), wk = 0.0036364 k( 157) = ( 0.3749749 0.5433038 0.2073638), wk = 0.0036364 k( 158) = ( 0.3660445 0.5551205 0.2221755), wk = 0.0036364 k( 159) = ( 0.3571142 0.5669372 0.2369872), wk = 0.0036364 k( 160) = ( 0.3481838 0.5787540 0.2517989), wk = 0.0036364 k( 161) = ( 0.3392535 0.5905707 0.2666106), wk = 0.0036364 k( 162) = ( 0.3303231 0.6023874 0.2814223), wk = 0.0036364 k( 163) = ( 0.3213927 0.6142042 0.2962340), wk = 0.0036364 k( 164) = ( 0.3213927 0.6142042 0.2962340), wk = 0.0036364 k( 165) = ( 0.3024873 0.6086472 0.3031993), wk = 0.0036364 k( 166) = ( 0.2835818 0.6030903 0.3101646), wk = 0.0036364 k( 167) = ( 0.2646764 0.5975334 0.3171299), wk = 0.0036364 k( 168) = ( 0.2457709 0.5919765 0.3240952), wk = 0.0036364 k( 169) = ( 0.2268654 0.5864196 0.3310605), wk = 0.0036364 k( 170) = ( 0.2079600 0.5808627 0.3380259), wk = 0.0036364 k( 171) = ( 0.1890545 0.5753058 0.3449912), wk = 0.0036364 k( 172) = ( 0.1701491 0.5697489 0.3519565), wk = 0.0036364 k( 173) = ( 0.1512436 0.5641920 0.3589218), wk = 0.0036364 k( 174) = ( 0.1323382 0.5586351 0.3658871), wk = 0.0036364 k( 175) = ( 0.1134327 0.5530782 0.3728524), wk = 0.0036364 k( 176) = ( 0.0945273 0.5475213 0.3798178), wk = 0.0036364 k( 177) = ( 0.0756218 0.5419644 0.3867831), wk = 0.0036364 k( 178) = ( 0.0567164 0.5364075 0.3937484), wk = 0.0036364 k( 179) = ( 0.0378109 0.5308506 0.4007137), wk = 0.0036364 k( 180) = ( 0.0189055 0.5252936 0.4076790), wk = 0.0036364 k( 181) = ( 0.0000000 0.5197367 0.4146443), wk = 0.0036364 k( 182) = ( 0.0000000 0.5197367 0.4146443), wk = 0.0036364 k( 183) = ( 0.0089286 0.5079224 0.4294531), wk = 0.0036364 k( 184) = ( 0.0178571 0.4961080 0.4442618), wk = 0.0036364 k( 185) = ( 0.0267857 0.4842937 0.4590705), wk = 0.0036364 k( 186) = ( 0.0357143 0.4724793 0.4738792), wk = 0.0036364 k( 187) = ( 0.0446429 0.4606650 0.4886880), wk = 0.0036364 k( 188) = ( 0.0535714 0.4488506 0.5034967), wk = 0.0036364 k( 189) = ( 0.0625000 0.4370363 0.5183054), wk = 0.0036364 k( 190) = ( 0.0714286 0.4252219 0.5331141), wk = 0.0036364 k( 191) = ( 0.0803571 0.4134076 0.5479229), wk = 0.0036364 k( 192) = ( 0.0892857 0.4015932 0.5627316), wk = 0.0036364 k( 193) = ( 0.0982143 0.3897788 0.5775403), wk = 0.0036364 k( 194) = ( 0.1071429 0.3779645 0.5923490), wk = 0.0036364 k( 195) = ( 0.1160714 0.3661501 0.6071578), wk = 0.0036364 k( 196) = ( 0.1250000 0.3543358 0.6219665), wk = 0.0036364 k( 197) = ( 0.1339286 0.3425214 0.6367752), wk = 0.0036364 k( 198) = ( 0.1428571 0.3307071 0.6515839), wk = 0.0036364 k( 199) = ( 0.1517857 0.3188927 0.6663927), wk = 0.0036364 k( 200) = ( 0.1607143 0.3070784 0.6812014), wk = 0.0036364 k( 201) = ( 0.1696429 0.2952640 0.6960101), wk = 0.0036364 k( 202) = ( 0.1785714 0.2834496 0.7108189), wk = 0.0036364 k( 203) = ( 0.1875000 0.2716353 0.7256276), wk = 0.0036364 k( 204) = ( 0.1964286 0.2598209 0.7404363), wk = 0.0036364 k( 205) = ( 0.2053571 0.2480066 0.7552450), wk = 0.0036364 k( 206) = ( 0.2142857 0.2361922 0.7700537), wk = 0.0036364 k( 207) = ( 0.2232143 0.2243779 0.7848625), wk = 0.0036364 k( 208) = ( 0.2321429 0.2125635 0.7996712), wk = 0.0036364 k( 209) = ( 0.2410714 0.2007492 0.8144799), wk = 0.0036364 k( 210) = ( 0.2500000 0.1889348 0.8292887), wk = 0.0036364 k( 211) = ( 0.2500000 0.1889348 0.8292887), wk = 0.0036364 k( 212) = ( 0.2631579 0.1988787 0.8168244), wk = 0.0036364 k( 213) = ( 0.2763158 0.2088227 0.8043602), wk = 0.0036364 k( 214) = ( 0.2894737 0.2187666 0.7918959), wk = 0.0036364 k( 215) = ( 0.3026316 0.2287106 0.7794317), wk = 0.0036364 k( 216) = ( 0.3157895 0.2386545 0.7669674), wk = 0.0036364 k( 217) = ( 0.3289474 0.2485984 0.7545032), wk = 0.0036364 k( 218) = ( 0.3421053 0.2585424 0.7420389), wk = 0.0036364 k( 219) = ( 0.3552632 0.2684863 0.7295747), wk = 0.0036364 k( 220) = ( 0.3684211 0.2784302 0.7171104), wk = 0.0036364 k( 221) = ( 0.3815789 0.2883742 0.7046462), wk = 0.0036364 k( 222) = ( 0.3947368 0.2983181 0.6921819), wk = 0.0036364 k( 223) = ( 0.4078947 0.3082621 0.6797177), wk = 0.0036364 k( 224) = ( 0.4210526 0.3182060 0.6672534), wk = 0.0036364 k( 225) = ( 0.4342105 0.3281499 0.6547892), wk = 0.0036364 k( 226) = ( 0.4473684 0.3380939 0.6423249), wk = 0.0036364 k( 227) = ( 0.4605263 0.3480378 0.6298607), wk = 0.0036364 k( 228) = ( 0.4736842 0.3579817 0.6173964), wk = 0.0036364 k( 229) = ( 0.4868421 0.3679257 0.6049322), wk = 0.0036364 k( 230) = ( 0.5000000 0.3778696 0.5924679), wk = 0.0036364 k( 231) = ( 0.5000000 0.3778696 0.5924679), wk = 0.0036364 k( 232) = ( 0.5000000 0.3778696 0.5713084), wk = 0.0036364 k( 233) = ( 0.5000000 0.3778696 0.5501488), wk = 0.0036364 k( 234) = ( 0.5000000 0.3778696 0.5289893), wk = 0.0036364 k( 235) = ( 0.5000000 0.3778696 0.5078297), wk = 0.0036364 k( 236) = ( 0.5000000 0.3778696 0.4866701), wk = 0.0036364 k( 237) = ( 0.5000000 0.3778696 0.4655105), wk = 0.0036364 k( 238) = ( 0.5000000 0.3778696 0.4443510), wk = 0.0036364 k( 239) = ( 0.5000000 0.3778696 0.4231914), wk = 0.0036364 k( 240) = ( 0.5000000 0.3778696 0.4020318), wk = 0.0036364 k( 241) = ( 0.5000000 0.3778696 0.3808723), wk = 0.0036364 k( 242) = ( 0.5000000 0.3778696 0.3597127), wk = 0.0036364 k( 243) = ( 0.5000000 0.3778696 0.3385531), wk = 0.0036364 k( 244) = ( 0.5000000 0.3778696 0.3173935), wk = 0.0036364 k( 245) = ( 0.5000000 0.3778696 0.2962340), wk = 0.0036364 k( 246) = ( 0.5000000 0.3778696 0.2750744), wk = 0.0036364 k( 247) = ( 0.5000000 0.3778696 0.2539148), wk = 0.0036364 k( 248) = ( 0.5000000 0.3778696 0.2327553), wk = 0.0036364 k( 249) = ( 0.5000000 0.3778696 0.2115957), wk = 0.0036364 k( 250) = ( 0.5000000 0.3778696 0.1904361), wk = 0.0036364 k( 251) = ( 0.5000000 0.3778696 0.1692766), wk = 0.0036364 k( 252) = ( 0.5000000 0.3778696 0.1481170), wk = 0.0036364 k( 253) = ( 0.5000000 0.3778696 0.1269574), wk = 0.0036364 k( 254) = ( 0.5000000 0.3778696 0.1057978), wk = 0.0036364 k( 255) = ( 0.5000000 0.3778696 0.0846383), wk = 0.0036364 k( 256) = ( 0.5000000 0.3778696 0.0634787), wk = 0.0036364 k( 257) = ( 0.5000000 0.3778696 0.0423191), wk = 0.0036364 k( 258) = ( 0.5000000 0.3778696 0.0211596), wk = 0.0036364 k( 259) = ( 0.5000000 0.3778696 0.0000000), wk = 0.0036364 k( 260) = ( 0.0000000 0.0000000 0.8292887), wk = 0.0036364 k( 261) = ( 0.0166667 0.0125957 0.8292887), wk = 0.0036364 k( 262) = ( 0.0333333 0.0251913 0.8292887), wk = 0.0036364 k( 263) = ( 0.0500000 0.0377870 0.8292887), wk = 0.0036364 k( 264) = ( 0.0666667 0.0503826 0.8292887), wk = 0.0036364 k( 265) = ( 0.0833333 0.0629783 0.8292887), wk = 0.0036364 k( 266) = ( 0.1000000 0.0755739 0.8292887), wk = 0.0036364 k( 267) = ( 0.1166667 0.0881696 0.8292887), wk = 0.0036364 k( 268) = ( 0.1333333 0.1007652 0.8292887), wk = 0.0036364 k( 269) = ( 0.1500000 0.1133609 0.8292887), wk = 0.0036364 k( 270) = ( 0.1666667 0.1259565 0.8292887), wk = 0.0036364 k( 271) = ( 0.1833333 0.1385522 0.8292887), wk = 0.0036364 k( 272) = ( 0.2000000 0.1511478 0.8292887), wk = 0.0036364 k( 273) = ( 0.2166667 0.1637435 0.8292887), wk = 0.0036364 k( 274) = ( 0.2333333 0.1763392 0.8292887), wk = 0.0036364 k( 275) = ( 0.2500000 0.1889348 0.8292887), wk = 0.0036364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0036364 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0036364 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0036364 k( 5) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0036364 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0036364 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0036364 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0036364 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0036364 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0036364 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0036364 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0036364 k( 13) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0036364 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036364 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0036364 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0036364 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0036364 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0036364 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0036364 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0036364 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0036364 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0036364 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0036364 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0036364 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0036364 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0036364 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036364 k( 28) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0036364 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0036364 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0036364 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0036364 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0036364 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0036364 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0036364 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0036364 k( 36) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0036364 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0036364 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0036364 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0036364 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 42) = ( -0.0118988 0.0118988 0.5000000), wk = 0.0036364 k( 43) = ( -0.0237976 0.0237976 0.5000000), wk = 0.0036364 k( 44) = ( -0.0356964 0.0356964 0.5000000), wk = 0.0036364 k( 45) = ( -0.0475952 0.0475952 0.5000000), wk = 0.0036364 k( 46) = ( -0.0594939 0.0594939 0.5000000), wk = 0.0036364 k( 47) = ( -0.0713927 0.0713927 0.5000000), wk = 0.0036364 k( 48) = ( -0.0832915 0.0832915 0.5000000), wk = 0.0036364 k( 49) = ( -0.0951903 0.0951903 0.5000000), wk = 0.0036364 k( 50) = ( -0.1070891 0.1070891 0.5000000), wk = 0.0036364 k( 51) = ( -0.1189879 0.1189879 0.5000000), wk = 0.0036364 k( 52) = ( -0.1308867 0.1308867 0.5000000), wk = 0.0036364 k( 53) = ( -0.1427855 0.1427855 0.5000000), wk = 0.0036364 k( 54) = ( -0.1427855 0.1427855 0.5000000), wk = 0.0036364 k( 55) = ( -0.1517158 0.1517158 0.4910696), wk = 0.0036364 k( 56) = ( -0.1606462 0.1606462 0.4821393), wk = 0.0036364 k( 57) = ( -0.1695765 0.1695765 0.4732089), wk = 0.0036364 k( 58) = ( -0.1785069 0.1785069 0.4642785), wk = 0.0036364 k( 59) = ( -0.1874373 0.1874373 0.4553482), wk = 0.0036364 k( 60) = ( -0.1963676 0.1963676 0.4464178), wk = 0.0036364 k( 61) = ( -0.2052980 0.2052980 0.4374875), wk = 0.0036364 k( 62) = ( -0.2142284 0.2142284 0.4285571), wk = 0.0036364 k( 63) = ( -0.2231587 0.2231587 0.4196267), wk = 0.0036364 k( 64) = ( -0.2320891 0.2320891 0.4106964), wk = 0.0036364 k( 65) = ( -0.2410194 0.2410194 0.4017660), wk = 0.0036364 k( 66) = ( -0.2499498 0.2499498 0.3928356), wk = 0.0036364 k( 67) = ( -0.2588802 0.2588802 0.3839053), wk = 0.0036364 k( 68) = ( -0.2678105 0.2678105 0.3749749), wk = 0.0036364 k( 69) = ( -0.2767409 0.2767409 0.3660445), wk = 0.0036364 k( 70) = ( -0.2856713 0.2856713 0.3571142), wk = 0.0036364 k( 71) = ( -0.2946016 0.2946016 0.3481838), wk = 0.0036364 k( 72) = ( -0.3035320 0.3035320 0.3392535), wk = 0.0036364 k( 73) = ( -0.3124624 0.3124624 0.3303231), wk = 0.0036364 k( 74) = ( -0.3213927 0.3213927 0.3213927), wk = 0.0036364 k( 75) = ( -0.3213927 0.3213927 0.3213927), wk = 0.0036364 k( 76) = ( -0.3124652 0.3124652 0.3124652), wk = 0.0036364 k( 77) = ( -0.3035376 0.3035376 0.3035376), wk = 0.0036364 k( 78) = ( -0.2946100 0.2946100 0.2946100), wk = 0.0036364 k( 79) = ( -0.2856824 0.2856824 0.2856824), wk = 0.0036364 k( 80) = ( -0.2767548 0.2767549 0.2767548), wk = 0.0036364 k( 81) = ( -0.2678273 0.2678273 0.2678273), wk = 0.0036364 k( 82) = ( -0.2588997 0.2588997 0.2588997), wk = 0.0036364 k( 83) = ( -0.2499721 0.2499721 0.2499721), wk = 0.0036364 k( 84) = ( -0.2410445 0.2410445 0.2410445), wk = 0.0036364 k( 85) = ( -0.2321170 0.2321170 0.2321170), wk = 0.0036364 k( 86) = ( -0.2231894 0.2231894 0.2231894), wk = 0.0036364 k( 87) = ( -0.2142618 0.2142618 0.2142618), wk = 0.0036364 k( 88) = ( -0.2053342 0.2053342 0.2053342), wk = 0.0036364 k( 89) = ( -0.1964067 0.1964067 0.1964067), wk = 0.0036364 k( 90) = ( -0.1874791 0.1874791 0.1874791), wk = 0.0036364 k( 91) = ( -0.1785515 0.1785515 0.1785515), wk = 0.0036364 k( 92) = ( -0.1696239 0.1696239 0.1696239), wk = 0.0036364 k( 93) = ( -0.1606964 0.1606964 0.1606964), wk = 0.0036364 k( 94) = ( -0.1517688 0.1517688 0.1517688), wk = 0.0036364 k( 95) = ( -0.1428412 0.1428412 0.1428412), wk = 0.0036364 k( 96) = ( -0.1339136 0.1339136 0.1339136), wk = 0.0036364 k( 97) = ( -0.1249861 0.1249861 0.1249861), wk = 0.0036364 k( 98) = ( -0.1160585 0.1160585 0.1160585), wk = 0.0036364 k( 99) = ( -0.1071309 0.1071309 0.1071309), wk = 0.0036364 k( 100) = ( -0.0982033 0.0982033 0.0982033), wk = 0.0036364 k( 101) = ( -0.0892758 0.0892758 0.0892758), wk = 0.0036364 k( 102) = ( -0.0803482 0.0803482 0.0803482), wk = 0.0036364 k( 103) = ( -0.0714206 0.0714206 0.0714206), wk = 0.0036364 k( 104) = ( -0.0624930 0.0624930 0.0624930), wk = 0.0036364 k( 105) = ( -0.0535655 0.0535655 0.0535654), wk = 0.0036364 k( 106) = ( -0.0446379 0.0446379 0.0446379), wk = 0.0036364 k( 107) = ( -0.0357103 0.0357103 0.0357103), wk = 0.0036364 k( 108) = ( -0.0267827 0.0267827 0.0267827), wk = 0.0036364 k( 109) = ( -0.0178552 0.0178552 0.0178552), wk = 0.0036364 k( 110) = ( -0.0089276 0.0089276 0.0089276), wk = 0.0036364 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036364 k( 113) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0036364 k( 114) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0036364 k( 115) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0036364 k( 116) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0036364 k( 117) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0036364 k( 118) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0036364 k( 119) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0036364 k( 120) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0036364 k( 121) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0036364 k( 122) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0036364 k( 123) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0036364 k( 124) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0036364 k( 125) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0036364 k( 126) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0036364 k( 127) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0036364 k( 128) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0036364 k( 129) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0036364 k( 130) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0036364 k( 131) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0036364 k( 132) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0036364 k( 133) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0036364 k( 134) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0036364 k( 135) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0036364 k( 136) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0036364 k( 137) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0036364 k( 138) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0036364 k( 139) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0036364 k( 140) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0036364 k( 141) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0036364 k( 142) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036364 k( 143) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036364 k( 144) = ( 0.4910696 0.5089304 -0.4910696), wk = 0.0036364 k( 145) = ( 0.4821393 0.5178607 -0.4821393), wk = 0.0036364 k( 146) = ( 0.4732089 0.5267911 -0.4732089), wk = 0.0036364 k( 147) = ( 0.4642785 0.5357215 -0.4642785), wk = 0.0036364 k( 148) = ( 0.4553482 0.5446518 -0.4553482), wk = 0.0036364 k( 149) = ( 0.4464178 0.5535822 -0.4464178), wk = 0.0036364 k( 150) = ( 0.4374874 0.5625126 -0.4374875), wk = 0.0036364 k( 151) = ( 0.4285571 0.5714429 -0.4285571), wk = 0.0036364 k( 152) = ( 0.4196267 0.5803733 -0.4196267), wk = 0.0036364 k( 153) = ( 0.4106964 0.5893036 -0.4106964), wk = 0.0036364 k( 154) = ( 0.4017660 0.5982340 -0.4017660), wk = 0.0036364 k( 155) = ( 0.3928356 0.6071644 -0.3928356), wk = 0.0036364 k( 156) = ( 0.3839053 0.6160947 -0.3839053), wk = 0.0036364 k( 157) = ( 0.3749749 0.6250251 -0.3749749), wk = 0.0036364 k( 158) = ( 0.3660445 0.6339555 -0.3660445), wk = 0.0036364 k( 159) = ( 0.3571142 0.6428858 -0.3571142), wk = 0.0036364 k( 160) = ( 0.3481838 0.6518162 -0.3481838), wk = 0.0036364 k( 161) = ( 0.3392535 0.6607466 -0.3392535), wk = 0.0036364 k( 162) = ( 0.3303231 0.6696769 -0.3303231), wk = 0.0036364 k( 163) = ( 0.3213927 0.6786073 -0.3213927), wk = 0.0036364 k( 164) = ( 0.3213927 0.6786073 -0.3213927), wk = 0.0036364 k( 165) = ( 0.3024873 0.6681010 -0.3024873), wk = 0.0036364 k( 166) = ( 0.2835818 0.6575947 -0.2835818), wk = 0.0036364 k( 167) = ( 0.2646764 0.6470884 -0.2646764), wk = 0.0036364 k( 168) = ( 0.2457709 0.6365820 -0.2457709), wk = 0.0036364 k( 169) = ( 0.2268654 0.6260757 -0.2268654), wk = 0.0036364 k( 170) = ( 0.2079600 0.6155694 -0.2079600), wk = 0.0036364 k( 171) = ( 0.1890545 0.6050631 -0.1890545), wk = 0.0036364 k( 172) = ( 0.1701491 0.5945568 -0.1701491), wk = 0.0036364 k( 173) = ( 0.1512436 0.5840505 -0.1512436), wk = 0.0036364 k( 174) = ( 0.1323382 0.5735442 -0.1323382), wk = 0.0036364 k( 175) = ( 0.1134327 0.5630379 -0.1134327), wk = 0.0036364 k( 176) = ( 0.0945273 0.5525316 -0.0945273), wk = 0.0036364 k( 177) = ( 0.0756218 0.5420252 -0.0756218), wk = 0.0036364 k( 178) = ( 0.0567164 0.5315189 -0.0567164), wk = 0.0036364 k( 179) = ( 0.0378109 0.5210126 -0.0378109), wk = 0.0036364 k( 180) = ( 0.0189055 0.5105063 -0.0189054), wk = 0.0036364 k( 181) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 182) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036364 k( 183) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036364 k( 184) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036364 k( 185) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036364 k( 186) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036364 k( 187) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036364 k( 188) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036364 k( 189) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036364 k( 190) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036364 k( 191) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036364 k( 192) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036364 k( 193) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036364 k( 194) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036364 k( 195) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036364 k( 196) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036364 k( 197) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036364 k( 198) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036364 k( 199) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036364 k( 200) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036364 k( 201) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036364 k( 202) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036364 k( 203) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036364 k( 204) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036364 k( 205) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036364 k( 206) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036364 k( 207) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036364 k( 208) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036364 k( 209) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036364 k( 210) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 k( 211) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 k( 212) = ( 0.2631579 0.2631579 0.2293271), wk = 0.0036364 k( 213) = ( 0.2763158 0.2763158 0.2086542), wk = 0.0036364 k( 214) = ( 0.2894737 0.2894737 0.1879813), wk = 0.0036364 k( 215) = ( 0.3026316 0.3026316 0.1673083), wk = 0.0036364 k( 216) = ( 0.3157895 0.3157895 0.1466354), wk = 0.0036364 k( 217) = ( 0.3289474 0.3289474 0.1259625), wk = 0.0036364 k( 218) = ( 0.3421053 0.3421053 0.1052896), wk = 0.0036364 k( 219) = ( 0.3552632 0.3552632 0.0846166), wk = 0.0036364 k( 220) = ( 0.3684211 0.3684211 0.0639437), wk = 0.0036364 k( 221) = ( 0.3815789 0.3815790 0.0432708), wk = 0.0036364 k( 222) = ( 0.3947368 0.3947368 0.0225979), wk = 0.0036364 k( 223) = ( 0.4078947 0.4078947 0.0019250), wk = 0.0036364 k( 224) = ( 0.4210526 0.4210526 -0.0187479), wk = 0.0036364 k( 225) = ( 0.4342105 0.4342105 -0.0394209), wk = 0.0036364 k( 226) = ( 0.4473684 0.4473684 -0.0600938), wk = 0.0036364 k( 227) = ( 0.4605263 0.4605263 -0.0807667), wk = 0.0036364 k( 228) = ( 0.4736842 0.4736842 -0.1014396), wk = 0.0036364 k( 229) = ( 0.4868421 0.4868421 -0.1221125), wk = 0.0036364 k( 230) = ( 0.5000000 0.5000000 -0.1427854), wk = 0.0036364 k( 231) = ( 0.5000000 0.5000000 -0.1427854), wk = 0.0036364 k( 232) = ( 0.5000000 0.5000000 -0.1555431), wk = 0.0036364 k( 233) = ( 0.5000000 0.5000000 -0.1683008), wk = 0.0036364 k( 234) = ( 0.5000000 0.5000000 -0.1810584), wk = 0.0036364 k( 235) = ( 0.5000000 0.5000000 -0.1938161), wk = 0.0036364 k( 236) = ( 0.5000000 0.5000000 -0.2065738), wk = 0.0036364 k( 237) = ( 0.5000000 0.5000000 -0.2193314), wk = 0.0036364 k( 238) = ( 0.5000000 0.5000000 -0.2320891), wk = 0.0036364 k( 239) = ( 0.5000000 0.5000000 -0.2448468), wk = 0.0036364 k( 240) = ( 0.5000000 0.5000000 -0.2576044), wk = 0.0036364 k( 241) = ( 0.5000000 0.5000000 -0.2703621), wk = 0.0036364 k( 242) = ( 0.5000000 0.5000000 -0.2831197), wk = 0.0036364 k( 243) = ( 0.5000000 0.5000000 -0.2958774), wk = 0.0036364 k( 244) = ( 0.5000000 0.5000000 -0.3086351), wk = 0.0036364 k( 245) = ( 0.5000000 0.5000000 -0.3213927), wk = 0.0036364 k( 246) = ( 0.5000000 0.5000000 -0.3341504), wk = 0.0036364 k( 247) = ( 0.5000000 0.5000000 -0.3469081), wk = 0.0036364 k( 248) = ( 0.5000000 0.5000000 -0.3596657), wk = 0.0036364 k( 249) = ( 0.5000000 0.5000000 -0.3724234), wk = 0.0036364 k( 250) = ( 0.5000000 0.5000000 -0.3851810), wk = 0.0036364 k( 251) = ( 0.5000000 0.5000000 -0.3979387), wk = 0.0036364 k( 252) = ( 0.5000000 0.5000000 -0.4106964), wk = 0.0036364 k( 253) = ( 0.5000000 0.5000000 -0.4234540), wk = 0.0036364 k( 254) = ( 0.5000000 0.5000000 -0.4362117), wk = 0.0036364 k( 255) = ( 0.5000000 0.5000000 -0.4489693), wk = 0.0036364 k( 256) = ( 0.5000000 0.5000000 -0.4617270), wk = 0.0036364 k( 257) = ( 0.5000000 0.5000000 -0.4744847), wk = 0.0036364 k( 258) = ( 0.5000000 0.5000000 -0.4872423), wk = 0.0036364 k( 259) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036364 k( 260) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036364 k( 261) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0036364 k( 262) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0036364 k( 263) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036364 k( 264) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0036364 k( 265) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0036364 k( 266) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036364 k( 267) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0036364 k( 268) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0036364 k( 269) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036364 k( 270) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0036364 k( 271) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0036364 k( 272) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036364 k( 273) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0036364 k( 274) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0036364 k( 275) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036364 Dense grid: 327253 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 37859 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 202, 50) NL pseudopotentials 0.20 Mb ( 101, 130) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.05 Mb ( 6818) G-vector shells 0.02 Mb ( 3141) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.62 Mb ( 202, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.20 Mb ( 130, 2, 50) The potential is recalculated from file : ./Al2CdSe4.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 47.2 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.7 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 58.3 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 63.8 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 69.2 secs Computing kpt #: 6 total cpu time spent up to now is 74.1 secs Computing kpt #: 7 total cpu time spent up to now is 78.9 secs Computing kpt #: 8 total cpu time spent up to now is 83.1 secs Computing kpt #: 9 total cpu time spent up to now is 86.9 secs Computing kpt #: 10 total cpu time spent up to now is 90.7 secs Computing kpt #: 11 total cpu time spent up to now is 94.4 secs Computing kpt #: 12 total cpu time spent up to now is 97.7 secs Computing kpt #: 13 total cpu time spent up to now is 101.1 secs Computing kpt #: 14 total cpu time spent up to now is 104.1 secs Computing kpt #: 15 total cpu time spent up to now is 107.3 secs Computing kpt #: 16 total cpu time spent up to now is 110.4 secs Computing kpt #: 17 total cpu time spent up to now is 113.6 secs Computing kpt #: 18 total cpu time spent up to now is 116.8 secs Computing kpt #: 19 total cpu time spent up to now is 119.9 secs Computing kpt #: 20 total cpu time spent up to now is 123.2 secs Computing kpt #: 21 total cpu time spent up to now is 126.4 secs Computing kpt #: 22 total cpu time spent up to now is 129.7 secs Computing kpt #: 23 total cpu time spent up to now is 132.9 secs Computing kpt #: 24 total cpu time spent up to now is 136.2 secs Computing kpt #: 25 total cpu time spent up to now is 139.5 secs Computing kpt #: 26 total cpu time spent up to now is 142.7 secs Computing kpt #: 27 total cpu time spent up to now is 145.8 secs Computing kpt #: 28 total cpu time spent up to now is 148.7 secs Computing kpt #: 29 total cpu time spent up to now is 151.6 secs Computing kpt #: 30 total cpu time spent up to now is 154.9 secs Computing kpt #: 31 total cpu time spent up to now is 158.1 secs Computing kpt #: 32 total cpu time spent up to now is 161.3 secs Computing kpt #: 33 total cpu time spent up to now is 164.4 secs Computing kpt #: 34 total cpu time spent up to now is 167.6 secs Computing kpt #: 35 total cpu time spent up to now is 170.8 secs Computing kpt #: 36 total cpu time spent up to now is 174.0 secs Computing kpt #: 37 total cpu time spent up to now is 177.2 secs Computing kpt #: 38 total cpu time spent up to now is 180.3 secs Computing kpt #: 39 total cpu time spent up to now is 183.2 secs Computing kpt #: 40 total cpu time spent up to now is 186.2 secs Computing kpt #: 41 total cpu time spent up to now is 189.3 secs Computing kpt #: 42 total cpu time spent up to now is 192.5 secs Computing kpt #: 43 total cpu time spent up to now is 195.6 secs Computing kpt #: 44 total cpu time spent up to now is 198.8 secs Computing kpt #: 45 total cpu time spent up to now is 202.0 secs Computing kpt #: 46 total cpu time spent up to now is 206.0 secs Computing kpt #: 47 total cpu time spent up to now is 209.3 secs Computing kpt #: 48 total cpu time spent up to now is 212.6 secs Computing kpt #: 49 total cpu time spent up to now is 216.0 secs Computing kpt #: 50 total cpu time spent up to now is 219.4 secs Computing kpt #: 51 total cpu time spent up to now is 222.9 secs Computing kpt #: 52 total cpu time spent up to now is 226.3 secs Computing kpt #: 53 total cpu time spent up to now is 229.8 secs Computing kpt #: 54 total cpu time spent up to now is 234.4 secs Computing kpt #: 55 total cpu time spent up to now is 237.8 secs Computing kpt #: 56 total cpu time spent up to now is 241.2 secs Computing kpt #: 57 total cpu time spent up to now is 244.5 secs Computing kpt #: 58 total cpu time spent up to now is 247.9 secs Computing kpt #: 59 total cpu time spent up to now is 250.9 secs Computing kpt #: 60 total cpu time spent up to now is 254.0 secs Computing kpt #: 61 total cpu time spent up to now is 257.1 secs Computing kpt #: 62 total cpu time spent up to now is 260.2 secs Computing kpt #: 63 total cpu time spent up to now is 263.4 secs Computing kpt #: 64 total cpu time spent up to now is 266.5 secs Computing kpt #: 65 total cpu time spent up to now is 269.7 secs Computing kpt #: 66 total cpu time spent up to now is 272.6 secs Computing kpt #: 67 total cpu time spent up to now is 275.6 secs Computing kpt #: 68 total cpu time spent up to now is 278.6 secs Computing kpt #: 69 total cpu time spent up to now is 281.6 secs Computing kpt #: 70 total cpu time spent up to now is 284.6 secs Computing kpt #: 71 total cpu time spent up to now is 287.6 secs Computing kpt #: 72 total cpu time spent up to now is 290.7 secs Computing kpt #: 73 total cpu time spent up to now is 293.8 secs Computing kpt #: 74 total cpu time spent up to now is 297.0 secs Computing kpt #: 75 total cpu time spent up to now is 300.1 secs Computing kpt #: 76 total cpu time spent up to now is 303.2 secs Computing kpt #: 77 total cpu time spent up to now is 306.3 secs Computing kpt #: 78 total cpu time spent up to now is 309.5 secs Computing kpt #: 79 total cpu time spent up to now is 312.6 secs Computing kpt #: 80 total cpu time spent up to now is 315.8 secs Computing kpt #: 81 total cpu time spent up to now is 318.9 secs Computing kpt #: 82 total cpu time spent up to now is 321.9 secs Computing kpt #: 83 total cpu time spent up to now is 325.0 secs Computing kpt #: 84 total cpu time spent up to now is 328.0 secs Computing kpt #: 85 total cpu time spent up to now is 336.2 secs Computing kpt #: 86 total cpu time spent up to now is 339.5 secs Computing kpt #: 87 total cpu time spent up to now is 342.7 secs Computing kpt #: 88 total cpu time spent up to now is 346.0 secs Computing kpt #: 89 total cpu time spent up to now is 349.8 secs Computing kpt #: 90 total cpu time spent up to now is 353.3 secs Computing kpt #: 91 total cpu time spent up to now is 356.7 secs Computing kpt #: 92 total cpu time spent up to now is 360.2 secs Computing kpt #: 93 total cpu time spent up to now is 363.4 secs Computing kpt #: 94 total cpu time spent up to now is 366.7 secs Computing kpt #: 95 total cpu time spent up to now is 371.8 secs Computing kpt #: 96 total cpu time spent up to now is 374.8 secs Computing kpt #: 97 total cpu time spent up to now is 377.9 secs Computing kpt #: 98 total cpu time spent up to now is 381.1 secs Computing kpt #: 99 total cpu time spent up to now is 384.3 secs Computing kpt #: 100 total cpu time spent up to now is 387.7 secs Computing kpt #: 101 total cpu time spent up to now is 391.0 secs Computing kpt #: 102 total cpu time spent up to now is 394.4 secs Computing kpt #: 103 total cpu time spent up to now is 401.4 secs Computing kpt #: 104 total cpu time spent up to now is 407.4 secs Computing kpt #: 105 total cpu time spent up to now is 412.4 secs Computing kpt #: 106 total cpu time spent up to now is 417.4 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 422.9 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 432.2 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 438.1 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 443.5 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 448.7 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 454.0 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 460.1 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 465.5 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 470.8 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 476.2 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 481.6 secs Computing kpt #: 118 total cpu time spent up to now is 486.6 secs Computing kpt #: 119 total cpu time spent up to now is 490.4 secs Computing kpt #: 120 total cpu time spent up to now is 494.1 secs Computing kpt #: 121 total cpu time spent up to now is 497.4 secs Computing kpt #: 122 total cpu time spent up to now is 500.9 secs Computing kpt #: 123 total cpu time spent up to now is 504.2 secs Computing kpt #: 124 total cpu time spent up to now is 507.7 secs Computing kpt #: 125 total cpu time spent up to now is 511.0 secs Computing kpt #: 126 total cpu time spent up to now is 514.3 secs Computing kpt #: 127 total cpu time spent up to now is 517.8 secs Computing kpt #: 128 total cpu time spent up to now is 521.2 secs Computing kpt #: 129 total cpu time spent up to now is 524.3 secs Computing kpt #: 130 total cpu time spent up to now is 528.3 secs Computing kpt #: 131 total cpu time spent up to now is 531.5 secs Computing kpt #: 132 total cpu time spent up to now is 534.8 secs Computing kpt #: 133 total cpu time spent up to now is 538.1 secs Computing kpt #: 134 total cpu time spent up to now is 541.4 secs Computing kpt #: 135 total cpu time spent up to now is 544.4 secs Computing kpt #: 136 total cpu time spent up to now is 547.7 secs Computing kpt #: 137 total cpu time spent up to now is 551.0 secs Computing kpt #: 138 total cpu time spent up to now is 554.0 secs Computing kpt #: 139 total cpu time spent up to now is 557.0 secs Computing kpt #: 140 total cpu time spent up to now is 560.0 secs Computing kpt #: 141 total cpu time spent up to now is 562.9 secs Computing kpt #: 142 total cpu time spent up to now is 565.9 secs Computing kpt #: 143 total cpu time spent up to now is 569.1 secs Computing kpt #: 144 total cpu time spent up to now is 572.2 secs Computing kpt #: 145 total cpu time spent up to now is 575.1 secs Computing kpt #: 146 total cpu time spent up to now is 580.4 secs Computing kpt #: 147 total cpu time spent up to now is 583.3 secs Computing kpt #: 148 total cpu time spent up to now is 586.3 secs Computing kpt #: 149 total cpu time spent up to now is 589.3 secs Computing kpt #: 150 total cpu time spent up to now is 592.4 secs Computing kpt #: 151 total cpu time spent up to now is 595.4 secs Computing kpt #: 152 total cpu time spent up to now is 598.5 secs Computing kpt #: 153 total cpu time spent up to now is 601.6 secs Computing kpt #: 154 total cpu time spent up to now is 604.9 secs Computing kpt #: 155 total cpu time spent up to now is 608.0 secs Computing kpt #: 156 total cpu time spent up to now is 612.0 secs Computing kpt #: 157 total cpu time spent up to now is 615.3 secs Computing kpt #: 158 total cpu time spent up to now is 618.3 secs Computing kpt #: 159 total cpu time spent up to now is 621.4 secs Computing kpt #: 160 total cpu time spent up to now is 624.4 secs Computing kpt #: 161 total cpu time spent up to now is 628.2 secs Computing kpt #: 162 total cpu time spent up to now is 631.4 secs Computing kpt #: 163 total cpu time spent up to now is 634.5 secs Computing kpt #: 164 total cpu time spent up to now is 637.5 secs Computing kpt #: 165 total cpu time spent up to now is 640.8 secs Computing kpt #: 166 total cpu time spent up to now is 643.8 secs Computing kpt #: 167 total cpu time spent up to now is 646.8 secs Computing kpt #: 168 total cpu time spent up to now is 649.7 secs Computing kpt #: 169 total cpu time spent up to now is 652.7 secs Computing kpt #: 170 total cpu time spent up to now is 655.6 secs Computing kpt #: 171 total cpu time spent up to now is 658.6 secs Computing kpt #: 172 total cpu time spent up to now is 661.5 secs Computing kpt #: 173 total cpu time spent up to now is 664.4 secs Computing kpt #: 174 total cpu time spent up to now is 667.2 secs Computing kpt #: 175 total cpu time spent up to now is 670.2 secs Computing kpt #: 176 total cpu time spent up to now is 673.2 secs Computing kpt #: 177 total cpu time spent up to now is 676.3 secs Computing kpt #: 178 total cpu time spent up to now is 679.5 secs Computing kpt #: 179 total cpu time spent up to now is 682.6 secs Computing kpt #: 180 total cpu time spent up to now is 685.7 secs Computing kpt #: 181 total cpu time spent up to now is 688.8 secs Computing kpt #: 182 total cpu time spent up to now is 691.9 secs Computing kpt #: 183 total cpu time spent up to now is 694.9 secs Computing kpt #: 184 total cpu time spent up to now is 697.9 secs Computing kpt #: 185 total cpu time spent up to now is 701.2 secs Computing kpt #: 186 total cpu time spent up to now is 704.3 secs Computing kpt #: 187 total cpu time spent up to now is 707.6 secs Computing kpt #: 188 total cpu time spent up to now is 711.0 secs Computing kpt #: 189 total cpu time spent up to now is 714.4 secs Computing kpt #: 190 total cpu time spent up to now is 717.9 secs Computing kpt #: 191 total cpu time spent up to now is 721.3 secs Computing kpt #: 192 total cpu time spent up to now is 724.9 secs Computing kpt #: 193 total cpu time spent up to now is 728.4 secs Computing kpt #: 194 total cpu time spent up to now is 732.0 secs Computing kpt #: 195 total cpu time spent up to now is 735.5 secs Computing kpt #: 196 total cpu time spent up to now is 739.1 secs Computing kpt #: 197 total cpu time spent up to now is 742.5 secs Computing kpt #: 198 total cpu time spent up to now is 745.9 secs Computing kpt #: 199 total cpu time spent up to now is 749.4 secs Computing kpt #: 200 total cpu time spent up to now is 752.8 secs Computing kpt #: 201 total cpu time spent up to now is 756.1 secs Computing kpt #: 202 total cpu time spent up to now is 759.5 secs Computing kpt #: 203 total cpu time spent up to now is 762.8 secs Computing kpt #: 204 total cpu time spent up to now is 766.1 secs Computing kpt #: 205 total cpu time spent up to now is 769.3 secs Computing kpt #: 206 total cpu time spent up to now is 772.5 secs Computing kpt #: 207 total cpu time spent up to now is 775.6 secs Computing kpt #: 208 total cpu time spent up to now is 778.9 secs Computing kpt #: 209 total cpu time spent up to now is 782.1 secs Computing kpt #: 210 total cpu time spent up to now is 785.2 secs Computing kpt #: 211 total cpu time spent up to now is 788.3 secs Computing kpt #: 212 total cpu time spent up to now is 791.5 secs Computing kpt #: 213 total cpu time spent up to now is 794.7 secs Computing kpt #: 214 total cpu time spent up to now is 797.9 secs Computing kpt #: 215 total cpu time spent up to now is 801.1 secs Computing kpt #: 216 total cpu time spent up to now is 804.3 secs Computing kpt #: 217 total cpu time spent up to now is 807.5 secs Computing kpt #: 218 total cpu time spent up to now is 810.7 secs Computing kpt #: 219 total cpu time spent up to now is 814.0 secs Computing kpt #: 220 total cpu time spent up to now is 817.3 secs Computing kpt #: 221 total cpu time spent up to now is 820.6 secs Computing kpt #: 222 total cpu time spent up to now is 823.9 secs Computing kpt #: 223 total cpu time spent up to now is 827.3 secs Computing kpt #: 224 total cpu time spent up to now is 830.7 secs Computing kpt #: 225 total cpu time spent up to now is 834.1 secs Computing kpt #: 226 total cpu time spent up to now is 837.5 secs Computing kpt #: 227 total cpu time spent up to now is 840.9 secs Computing kpt #: 228 total cpu time spent up to now is 844.3 secs Computing kpt #: 229 total cpu time spent up to now is 847.7 secs Computing kpt #: 230 total cpu time spent up to now is 851.3 secs Computing kpt #: 231 total cpu time spent up to now is 854.7 secs Computing kpt #: 232 total cpu time spent up to now is 858.5 secs Computing kpt #: 233 total cpu time spent up to now is 862.2 secs Computing kpt #: 234 total cpu time spent up to now is 865.8 secs Computing kpt #: 235 total cpu time spent up to now is 869.3 secs Computing kpt #: 236 total cpu time spent up to now is 872.9 secs Computing kpt #: 237 total cpu time spent up to now is 876.4 secs Computing kpt #: 238 total cpu time spent up to now is 879.6 secs Computing kpt #: 239 total cpu time spent up to now is 882.9 secs Computing kpt #: 240 total cpu time spent up to now is 886.2 secs Computing kpt #: 241 total cpu time spent up to now is 889.5 secs Computing kpt #: 242 total cpu time spent up to now is 892.7 secs Computing kpt #: 243 total cpu time spent up to now is 895.9 secs Computing kpt #: 244 total cpu time spent up to now is 898.9 secs Computing kpt #: 245 total cpu time spent up to now is 902.0 secs Computing kpt #: 246 total cpu time spent up to now is 905.0 secs Computing kpt #: 247 total cpu time spent up to now is 908.2 secs Computing kpt #: 248 total cpu time spent up to now is 911.3 secs Computing kpt #: 249 total cpu time spent up to now is 914.8 secs Computing kpt #: 250 total cpu time spent up to now is 918.2 secs Computing kpt #: 251 total cpu time spent up to now is 921.6 secs Computing kpt #: 252 total cpu time spent up to now is 925.0 secs Computing kpt #: 253 total cpu time spent up to now is 928.3 secs Computing kpt #: 254 total cpu time spent up to now is 931.5 secs Computing kpt #: 255 total cpu time spent up to now is 934.6 secs Computing kpt #: 256 total cpu time spent up to now is 937.6 secs Computing kpt #: 257 total cpu time spent up to now is 940.4 secs Computing kpt #: 258 total cpu time spent up to now is 943.3 secs Computing kpt #: 259 total cpu time spent up to now is 946.2 secs Computing kpt #: 260 total cpu time spent up to now is 949.4 secs Computing kpt #: 261 total cpu time spent up to now is 952.5 secs Computing kpt #: 262 total cpu time spent up to now is 955.7 secs Computing kpt #: 263 total cpu time spent up to now is 958.9 secs Computing kpt #: 264 total cpu time spent up to now is 962.0 secs Computing kpt #: 265 total cpu time spent up to now is 965.2 secs Computing kpt #: 266 total cpu time spent up to now is 968.4 secs Computing kpt #: 267 total cpu time spent up to now is 971.6 secs Computing kpt #: 268 total cpu time spent up to now is 974.8 secs Computing kpt #: 269 total cpu time spent up to now is 978.0 secs Computing kpt #: 270 total cpu time spent up to now is 981.4 secs Computing kpt #: 271 total cpu time spent up to now is 984.6 secs Computing kpt #: 272 total cpu time spent up to now is 987.8 secs Computing kpt #: 273 total cpu time spent up to now is 991.0 secs Computing kpt #: 274 total cpu time spent up to now is 994.1 secs Computing kpt #: 275 total cpu time spent up to now is 997.2 secs ethr = 2.38E-11, avg # of iterations = 48.2 total cpu time spent up to now is 997.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4787 PWs) bands (ev): -8.4839 -8.4839 -7.2983 -7.2983 -7.2977 -7.2977 -7.2085 -7.2085 -3.4364 -3.4364 -3.4265 -3.4265 -2.7870 -2.7870 -2.7760 -2.7760 -2.7542 -2.7542 -0.9504 -0.9504 0.3093 0.3093 1.1395 1.1395 1.3724 1.3724 1.4612 1.4612 1.6122 1.6122 2.2182 2.2182 2.8759 2.8759 2.9663 2.9663 4.0408 4.0408 4.3916 4.3916 4.4661 4.4661 6.5496 6.5496 7.4381 7.4381 8.0993 8.0993 9.8229 9.8252 k = 0.0000 0.0000 0.0213 ( 4783 PWs) bands (ev): -8.4832 -8.4832 -7.2988 -7.2987 -7.2982 -7.2982 -7.2085 -7.2084 -3.4367 -3.4364 -3.4266 -3.4261 -2.7874 -2.7867 -2.7775 -2.7746 -2.7555 -2.7531 -0.9504 -0.9497 0.3047 0.3124 1.1293 1.1447 1.3531 1.3933 1.4492 1.4742 1.6002 1.6328 2.2171 2.2195 2.8732 2.8796 2.9645 2.9682 4.0348 4.0422 4.3865 4.3909 4.4611 4.4614 6.5578 6.5597 7.4409 7.4418 8.1014 8.1053 9.8141 9.8197 k = 0.0000 0.0000 0.0425 ( 4769 PWs) bands (ev): -8.4811 -8.4810 -7.3004 -7.3003 -7.2995 -7.2994 -7.2085 -7.2084 -3.4372 -3.4368 -3.4266 -3.4257 -2.7879 -2.7865 -2.7789 -2.7732 -2.7569 -2.7521 -0.9496 -0.9482 0.2986 0.3139 1.1162 1.1450 1.3330 1.4169 1.4341 1.4921 1.5997 1.6585 2.2160 2.2206 2.8707 2.8840 2.9630 2.9708 4.0235 4.0392 4.3734 4.3838 4.4484 4.4497 6.5838 6.5874 7.4500 7.4520 8.1118 8.1197 9.7910 9.8109 k = 0.0000 0.0000 0.0638 ( 4769 PWs) bands (ev): -8.4776 -8.4775 -7.3031 -7.3030 -7.3016 -7.3014 -7.2086 -7.2084 -3.4380 -3.4374 -3.4263 -3.4253 -2.7885 -2.7866 -2.7801 -2.7719 -2.7584 -2.7512 -0.9480 -0.9461 0.2910 0.3133 1.1030 1.1425 1.3110 1.4095 1.4482 1.5158 1.6107 1.6870 2.2146 2.2210 2.8678 2.8886 2.9634 2.9754 4.0055 4.0313 4.3480 4.3672 4.4331 4.4373 6.6262 6.6311 7.4651 7.4682 8.1306 8.1424 9.7605 9.7942 k = 0.0000 0.0000 0.0851 ( 4769 PWs) bands (ev): -8.4727 -8.4727 -7.3069 -7.3068 -7.3044 -7.3042 -7.2087 -7.2085 -3.4390 -3.4381 -3.4258 -3.4250 -2.7891 -2.7870 -2.7810 -2.7707 -2.7598 -2.7504 -0.9458 -0.9433 0.2814 0.3099 1.0925 1.1399 1.2873 1.3833 1.4792 1.5436 1.6310 1.7172 2.2124 2.2200 2.8641 2.8921 2.9679 2.9835 3.9792 4.0176 4.3097 4.3399 4.4203 4.4278 6.6827 6.6883 7.4856 7.4901 8.1580 8.1737 9.7242 9.7683 k = 0.0000 0.0000 0.1063 ( 4765 PWs) bands (ev): -8.4664 -8.4664 -7.3116 -7.3115 -7.3079 -7.3076 -7.2089 -7.2087 -3.4403 -3.4389 -3.4252 -3.4246 -2.7899 -2.7879 -2.7815 -2.7697 -2.7610 -2.7498 -0.9429 -0.9400 0.2696 0.3032 1.0871 1.1396 1.2624 1.3544 1.5107 1.5735 1.6586 1.7487 2.2085 2.2169 2.8603 2.8939 2.9783 2.9957 3.9425 3.9960 4.2630 4.3061 4.4103 4.4205 6.7507 6.7563 7.5109 7.5171 8.1942 8.2137 9.6835 9.7340 k = 0.0000 0.0000 0.1276 ( 4773 PWs) bands (ev): -8.4588 -8.4588 -7.3173 -7.3172 -7.3121 -7.3118 -7.2094 -7.2091 -3.4417 -3.4397 -3.4249 -3.4241 -2.7910 -2.7889 -2.7817 -2.7691 -2.7619 -2.7492 -0.9394 -0.9363 0.2551 0.2926 1.0883 1.1434 1.2373 1.3248 1.5400 1.6033 1.6925 1.7816 2.2026 2.2113 2.8580 2.8952 2.9945 3.0120 3.8942 3.9639 4.2144 4.2708 4.4013 4.4139 6.8274 6.8323 7.5404 7.5484 8.2393 8.2626 9.6395 9.6935 k = 0.0000 0.0000 0.1488 ( 4775 PWs) bands (ev): -8.4498 -8.4498 -7.3239 -7.3236 -7.3170 -7.3166 -7.2100 -7.2097 -3.4433 -3.4406 -3.4248 -3.4233 -2.7925 -2.7899 -2.7818 -2.7690 -2.7620 -2.7487 -0.9355 -0.9322 0.2378 0.2777 1.0970 1.1520 1.2129 1.2960 1.5650 1.6310 1.7318 1.8163 2.1943 2.2031 2.8587 2.8979 3.0157 3.0315 3.8343 3.9192 4.1694 4.2375 4.3924 4.4072 6.9100 6.9137 7.5736 7.5837 8.2932 8.3202 9.5934 9.6486 k = 0.0000 0.0000 0.1701 ( 4781 PWs) bands (ev): -8.4396 -8.4395 -7.3312 -7.3309 -7.3225 -7.3221 -7.2110 -7.2106 -3.4449 -3.4415 -3.4250 -3.4224 -2.7943 -2.7910 -2.7819 -2.7694 -2.7616 -2.7483 -0.9313 -0.9279 0.2175 0.2586 1.1128 1.1634 1.1921 1.2700 1.5843 1.6546 1.7755 1.8533 2.1845 2.1929 2.8639 2.9036 3.0405 3.0532 3.7642 3.8619 4.1305 4.2068 4.3831 4.3999 6.9961 6.9980 7.6101 7.6224 8.3556 8.3864 9.5459 9.6010 k = 0.0000 0.0000 0.1914 ( 4781 PWs) bands (ev): -8.4280 -8.4279 -7.3392 -7.3389 -7.3285 -7.3281 -7.2123 -7.2119 -3.4465 -3.4424 -3.4253 -3.4215 -2.7962 -2.7923 -2.7820 -2.7698 -2.7607 -2.7478 -0.9267 -0.9235 0.1942 0.2353 1.1310 1.1639 1.1895 1.2517 1.5969 1.6716 1.8227 1.8928 2.1748 2.1819 2.8742 2.9130 3.0677 3.0758 3.6869 3.7954 4.0972 4.1782 4.3733 4.3920 7.0830 7.0834 7.6499 7.6642 8.4257 8.4603 9.4976 9.5520 k = 0.0000 0.0000 0.2126 ( 4777 PWs) bands (ev): -8.4151 -8.4151 -7.3479 -7.3476 -7.3351 -7.3347 -7.2139 -7.2135 -3.4481 -3.4433 -3.4257 -3.4206 -2.7981 -2.7939 -2.7820 -2.7702 -2.7596 -2.7474 -0.9221 -0.9190 0.1683 0.2084 1.1293 1.1665 1.2019 1.2536 1.6021 1.6800 1.8724 1.9345 2.1671 2.1724 2.8898 2.9262 3.0952 3.0981 3.6057 3.7249 4.0673 4.1508 4.3629 4.3833 7.1670 7.1696 7.6929 7.7089 8.5026 8.5410 9.4491 9.5025 k = 0.0000 0.0000 0.2339 ( 4773 PWs) bands (ev): -8.4010 -8.4010 -7.3572 -7.3568 -7.3422 -7.3417 -7.2160 -7.2155 -3.4497 -3.4443 -3.4261 -3.4197 -2.8000 -2.7957 -2.7819 -2.7705 -2.7584 -2.7469 -0.9175 -0.9146 0.1400 0.1784 1.1126 1.1595 1.2320 1.2787 1.5998 1.6787 1.9240 1.9779 2.1617 2.1688 2.9102 2.9425 3.1150 3.1236 3.5247 3.6558 4.0391 4.1235 4.3520 4.3739 7.2483 7.2531 7.7392 7.7565 8.5847 8.6268 9.4009 9.4533 k = 0.0000 0.0000 0.2552 ( 4769 PWs) bands (ev): -8.3858 -8.3857 -7.3671 -7.3666 -7.3496 -7.3492 -7.2186 -7.2180 -3.4512 -3.4454 -3.4267 -3.4188 -2.8018 -2.7978 -2.7816 -2.7706 -2.7572 -2.7464 -0.9131 -0.9102 0.1096 0.1459 1.0954 1.1426 1.2757 1.3142 1.5905 1.6684 1.9768 2.0217 2.1591 2.1746 2.9341 2.9601 3.1271 3.1453 3.4502 3.5940 4.0114 4.0958 4.3408 4.3639 7.3259 7.3324 7.7890 7.8066 8.6700 8.7156 9.3534 9.4054 k = 0.0000 0.0000 0.2764 ( 4761 PWs) bands (ev): -8.3693 -8.3693 -7.3774 -7.3769 -7.3574 -7.3570 -7.2216 -7.2210 -3.4527 -3.4465 -3.4272 -3.4180 -2.8035 -2.8001 -2.7813 -2.7706 -2.7560 -2.7460 -0.9089 -0.9059 0.0777 0.1115 1.0799 1.1245 1.3238 1.3524 1.5766 1.6530 2.0299 2.0639 2.1617 2.1900 2.9598 2.9754 3.1302 3.1539 3.3931 3.5453 3.9841 4.0673 4.3294 4.3534 7.3990 7.4067 7.8420 7.8590 8.7556 8.8037 9.3075 9.3601 k = 0.0000 0.0000 0.2977 ( 4765 PWs) bands (ev): -8.3518 -8.3517 -7.3882 -7.3877 -7.3655 -7.3650 -7.2252 -7.2245 -3.4540 -3.4476 -3.4278 -3.4172 -2.8051 -2.8025 -2.7808 -2.7706 -2.7548 -2.7455 -0.9050 -0.9017 0.0444 0.0757 1.0664 1.1075 1.3670 1.3864 1.5655 1.6410 2.0810 2.1034 2.1707 2.2153 2.9802 2.9849 3.1214 3.1456 3.3672 3.5138 3.9573 4.0380 4.3178 4.3426 7.4675 7.4757 7.8975 7.9130 8.8372 8.8856 9.2650 9.3204 k = 0.0000 0.0000 0.3190 ( 4759 PWs) bands (ev): -8.3331 -8.3330 -7.3993 -7.3988 -7.3738 -7.3733 -7.2293 -7.2285 -3.4553 -3.4488 -3.4284 -3.4165 -2.8065 -2.8049 -2.7802 -2.7705 -2.7537 -2.7449 -0.9015 -0.8977 0.0103 0.0391 1.0551 1.0920 1.3872 1.4068 1.5732 1.6455 2.1222 2.1421 2.1888 2.2494 2.9687 2.9929 3.1011 3.1441 3.3715 3.4986 3.9319 4.0083 4.3063 4.3315 7.5315 7.5394 7.9547 7.9677 8.9071 8.9508 9.2310 9.2934 k = 0.0000 0.0000 0.3402 ( 4751 PWs) bands (ev): -8.3135 -8.3134 -7.4108 -7.4103 -7.3823 -7.3818 -7.2339 -7.2331 -3.4564 -3.4500 -3.4290 -3.4158 -2.8078 -2.8071 -2.7795 -2.7705 -2.7526 -2.7444 -0.8983 -0.8938 -0.0245 0.0019 1.0452 1.0783 1.3765 1.4017 1.6136 1.6759 2.1481 2.1755 2.2234 2.2893 2.9358 2.9672 3.1026 3.1581 3.3914 3.4944 3.9095 3.9788 4.2948 4.3203 7.5915 7.5986 8.0121 8.0225 8.9515 8.9835 9.2161 9.2909 k = 0.0000 0.0000 0.3615 ( 4753 PWs) bands (ev): -8.2929 -8.2928 -7.4225 -7.4220 -7.3908 -7.3903 -7.2392 -7.2383 -3.4573 -3.4513 -3.4295 -3.4152 -2.8098 -2.8085 -2.7787 -2.7705 -2.7516 -2.7439 -0.8954 -0.8901 -0.0595 -0.0355 1.0353 1.0665 1.3454 1.3778 1.6775 1.7276 2.1639 2.1980 2.2721 2.3313 2.8912 2.9228 3.1255 3.1817 3.4166 3.4946 3.8921 3.9506 4.2835 4.3091 7.6481 7.6542 8.0677 8.0766 8.9557 8.9750 9.2313 9.3176 k = 0.0000 0.0000 0.3827 ( 4741 PWs) bands (ev): -8.2713 -8.2712 -7.4345 -7.4340 -7.3994 -7.3989 -7.2451 -7.2441 -3.4582 -3.4525 -3.4300 -3.4148 -2.8120 -2.8094 -2.7779 -2.7706 -2.7507 -2.7434 -0.8927 -0.8866 -0.0946 -0.0727 1.0230 1.0566 1.3047 1.3484 1.7526 1.7920 2.1717 2.2131 2.3242 2.3720 2.8477 2.8817 3.1542 3.2098 3.4412 3.4939 3.8818 3.9250 4.2724 4.2980 7.7017 7.7069 8.1196 8.1295 8.9235 8.9369 9.2674 9.3595 k = 0.0000 0.0000 0.4040 ( 4731 PWs) bands (ev): -8.2490 -8.2489 -7.4467 -7.4462 -7.4079 -7.4075 -7.2515 -7.2505 -3.4589 -3.4537 -3.4305 -3.4144 -2.8140 -2.8100 -2.7771 -2.7707 -2.7499 -2.7429 -0.8901 -0.8832 -0.1294 -0.1096 1.0054 1.0478 1.2620 1.3213 1.8331 1.8628 2.1710 2.2191 2.3754 2.4093 2.8168 2.8524 3.1830 3.2394 3.4599 3.4914 3.8799 3.9041 4.2617 4.2872 7.7526 7.7575 8.1668 8.1798 8.8695 8.8824 9.3063 9.3998 k = 0.0000 0.0000 0.4253 ( 4735 PWs) bands (ev): -8.2258 -8.2257 -7.4590 -7.4585 -7.4164 -7.4159 -7.2586 -7.2576 -3.4595 -3.4549 -3.4309 -3.4142 -2.8160 -2.8103 -2.7764 -2.7709 -2.7492 -2.7424 -0.8874 -0.8798 -0.1639 -0.1460 0.9811 1.0357 1.2245 1.3008 1.9146 1.9356 2.1622 2.2130 2.4236 2.4437 2.8054 2.8395 3.2090 3.2684 3.4618 3.4953 3.8844 3.8921 4.2514 4.2767 7.8010 7.8065 8.2087 8.2257 8.8033 8.8180 9.3368 9.4292 k = 0.0000 0.0000 0.4465 ( 4737 PWs) bands (ev): -8.2020 -8.2018 -7.4714 -7.4710 -7.4246 -7.4242 -7.2664 -7.2653 -3.4599 -3.4559 -3.4314 -3.4141 -2.8177 -2.8105 -2.7757 -2.7710 -2.7486 -2.7419 -0.8846 -0.8764 -0.1979 -0.1816 0.9499 1.0144 1.1993 1.2893 1.9880 2.0037 2.1518 2.1970 2.4656 2.4803 2.8146 2.8446 3.2302 3.2950 3.4494 3.5046 3.8809 3.9035 4.2418 4.2667 7.8468 7.8538 8.2444 8.2653 8.7295 8.7468 9.3547 9.4443 k = 0.0000 0.0000 0.4678 ( 4737 PWs) bands (ev): -8.1775 -8.1773 -7.4839 -7.4836 -7.4327 -7.4322 -7.2747 -7.2736 -3.4602 -3.4569 -3.4318 -3.4141 -2.8193 -2.8105 -2.7752 -2.7711 -2.7482 -2.7415 -0.8816 -0.8728 -0.2312 -0.2163 0.9127 0.9806 1.1905 1.2870 2.0226 2.0518 2.1659 2.1903 2.5017 2.5225 2.8407 2.8653 3.2443 3.3173 3.4357 3.5117 3.8825 3.9239 4.2328 4.2574 7.8898 7.8988 8.2727 8.2964 8.6515 8.6718 9.3597 9.4460 k = 0.0000 0.0000 0.4891 ( 4729 PWs) bands (ev): -8.1525 -8.1523 -7.4965 -7.4962 -7.4404 -7.4399 -7.2836 -7.2825 -3.4604 -3.4577 -3.4322 -3.4143 -2.8206 -2.8103 -2.7752 -2.7710 -2.7479 -2.7411 -0.8781 -0.8690 -0.2636 -0.2500 0.8710 0.9370 1.1956 1.2932 2.0032 2.0460 2.2140 2.2349 2.5384 2.5674 2.8786 2.8965 3.2491 3.3333 3.4289 3.5164 3.8914 3.9483 4.2248 4.2489 7.9288 7.9402 8.2912 8.3156 8.5735 8.5977 9.3544 9.4374 k = 0.0000 0.0000 0.5103 ( 4721 PWs) bands (ev): -8.1270 -8.1268 -7.5091 -7.5088 -7.4478 -7.4473 -7.2931 -7.2920 -3.4605 -3.4582 -3.4327 -3.4146 -2.8217 -2.8099 -2.7756 -2.7707 -2.7477 -2.7408 -0.8741 -0.8648 -0.2950 -0.2826 0.8265 0.8881 1.2105 1.3066 1.9602 2.0038 2.2724 2.3078 2.5783 2.6158 2.9232 2.9329 3.2450 3.3438 3.4327 3.5208 3.9059 3.9747 4.2178 4.2415 7.9611 7.9760 8.2951 8.3164 8.5027 8.5336 9.3427 9.4220 k = 0.0000 0.0000 0.5316 ( 4721 PWs) bands (ev): -8.1011 -8.1009 -7.5217 -7.5215 -7.4547 -7.4543 -7.3031 -7.3020 -3.4606 -3.4585 -3.4332 -3.4151 -2.8226 -2.8093 -2.7763 -2.7702 -2.7476 -2.7406 -0.8695 -0.8602 -0.3254 -0.3139 0.7808 0.8373 1.2321 1.3262 1.9093 1.9512 2.3279 2.3796 2.6223 2.6694 2.9646 2.9752 3.2364 3.3538 3.4440 3.5263 3.9242 4.0019 4.2120 4.2352 7.9809 8.0015 8.2775 8.2916 8.4518 8.4922 9.3283 9.4035 k = 0.0000 0.0000 0.5529 ( 4725 PWs) bands (ev): -8.0749 -8.0747 -7.5344 -7.5343 -7.4612 -7.4608 -7.3136 -7.3125 -3.4607 -3.4585 -3.4337 -3.4158 -2.8232 -2.8086 -2.7773 -2.7697 -2.7477 -2.7404 -0.8643 -0.8550 -0.3546 -0.3438 0.7349 0.7863 1.2585 1.3510 1.8557 1.8961 2.3740 2.4402 2.6717 2.7284 2.9979 3.0218 3.2317 3.3677 3.4587 3.5337 3.9443 4.0289 4.2074 4.2302 7.9775 8.0073 8.2432 8.2485 8.4289 8.4746 9.3143 9.3845 k = 0.0000 0.0000 0.5741 ( 4717 PWs) bands (ev): -8.0486 -8.0483 -7.5472 -7.5471 -7.4672 -7.4668 -7.3244 -7.3234 -3.4608 -3.4583 -3.4342 -3.4167 -2.8236 -2.8078 -2.7785 -2.7693 -2.7477 -2.7403 -0.8582 -0.8493 -0.3825 -0.3723 0.6897 0.7363 1.2884 1.3802 1.8020 1.8421 2.4079 2.4832 2.7261 2.7898 3.0292 3.0649 3.2385 3.3865 3.4752 3.5435 3.9648 4.0548 4.2039 4.2267 7.9398 7.9793 8.2073 8.2171 8.4262 8.4713 9.3027 9.3672 k = 0.0000 0.0000 0.5954 ( 4705 PWs) bands (ev): -8.0221 -8.0218 -7.5600 -7.5599 -7.4727 -7.4722 -7.3356 -7.3346 -3.4607 -3.4579 -3.4348 -3.4177 -2.8237 -2.8069 -2.7799 -2.7691 -2.7479 -2.7402 -0.8514 -0.8429 -0.4091 -0.3993 0.6460 0.6880 1.3209 1.4131 1.7497 1.7912 2.4288 2.5061 2.7819 2.8477 3.0649 3.1045 3.2600 3.4068 3.4944 3.5572 3.9847 4.0791 4.2015 4.2247 7.8711 7.9145 8.1846 8.1986 8.4362 8.4770 9.2947 9.3528 k = 0.0000 0.0000 0.6167 ( 4713 PWs) bands (ev): -7.9958 -7.9954 -7.5730 -7.5728 -7.4775 -7.4770 -7.3469 -7.3460 -3.4605 -3.4573 -3.4354 -3.4189 -2.8236 -2.8060 -2.7813 -2.7690 -2.7479 -2.7403 -0.8438 -0.8359 -0.4343 -0.4248 0.6044 0.6419 1.3548 1.4492 1.6999 1.7451 2.4367 2.5099 2.8340 2.8962 3.1120 3.1467 3.2912 3.4233 3.5173 3.5777 4.0031 4.1013 4.1999 4.2242 7.7848 7.8280 8.1665 8.1807 8.4567 8.4913 9.2904 9.3418 k = 0.0000 0.0000 0.6379 ( 4719 PWs) bands (ev): -7.9696 -7.9692 -7.5862 -7.5859 -7.4816 -7.4812 -7.3583 -7.3575 -3.4601 -3.4566 -3.4360 -3.4202 -2.8233 -2.8050 -2.7828 -2.7692 -2.7480 -2.7404 -0.8354 -0.8283 -0.4580 -0.4488 0.5652 0.5986 1.3883 1.4879 1.6533 1.7059 2.4320 2.4970 2.8795 2.9337 3.1722 3.1968 3.3234 3.4337 3.5431 3.6084 4.0196 4.1210 4.1989 4.2251 7.6916 7.7328 8.1440 8.1573 8.4857 8.5140 9.2892 9.3337 k = 0.0000 0.0000 0.6592 ( 4721 PWs) bands (ev): -7.9437 -7.9432 -7.5995 -7.5992 -7.4851 -7.4847 -7.3696 -7.3688 -3.4596 -3.4558 -3.4365 -3.4217 -2.8227 -2.8042 -2.7842 -2.7697 -2.7479 -2.7406 -0.8265 -0.8202 -0.4800 -0.4711 0.5290 0.5584 1.4187 1.5286 1.6105 1.6763 2.4161 2.4710 2.9193 2.9639 3.2402 3.2533 3.3493 3.4402 3.5723 3.6480 4.0338 4.1378 4.1983 4.2270 7.5975 7.6361 8.1153 8.1277 8.5204 8.5435 9.2900 9.3279 k = 0.0000 0.0000 0.6804 ( 4725 PWs) bands (ev): -7.9182 -7.9178 -7.6132 -7.6128 -7.4879 -7.4875 -7.3806 -7.3798 -3.4590 -3.4550 -3.4371 -3.4233 -2.8218 -2.8035 -2.7854 -2.7705 -2.7478 -2.7408 -0.8172 -0.8117 -0.5004 -0.4918 0.4960 0.5216 1.4418 1.5665 1.5759 1.6607 2.3907 2.4354 2.9556 2.9910 3.3032 3.3122 3.3676 3.4485 3.6067 3.6918 4.0459 4.1512 4.1980 4.2296 7.5064 7.5419 8.0826 8.0940 8.5582 8.5772 9.2917 9.3233 k = 0.0000 0.0000 0.7017 ( 4725 PWs) bands (ev): -7.8935 -7.8930 -7.6271 -7.6266 -7.4901 -7.4897 -7.3910 -7.3903 -3.4583 -3.4543 -3.4375 -3.4250 -2.8207 -2.8032 -2.7862 -2.7715 -2.7475 -2.7412 -0.8076 -0.8031 -0.5189 -0.5108 0.4668 0.4886 1.4532 1.5365 1.6140 1.6632 2.3582 2.3938 2.9899 3.0171 3.3410 3.3538 3.4000 3.4693 3.6459 3.7354 4.0561 4.1604 4.1985 4.2322 7.4214 7.4533 8.0484 8.0587 8.5969 8.6127 9.2930 9.3190 k = 0.0000 0.0000 0.7230 ( 4721 PWs) bands (ev): -7.8696 -7.8691 -7.6413 -7.6407 -7.4915 -7.4911 -7.4006 -7.4000 -3.4574 -3.4535 -3.4379 -3.4267 -2.8195 -2.8034 -2.7865 -2.7728 -2.7471 -2.7416 -0.7982 -0.7946 -0.5353 -0.5279 0.4417 0.4597 1.4531 1.5067 1.6558 1.6835 2.3210 2.3490 3.0225 3.0430 3.3522 3.3569 3.4601 3.5078 3.6872 3.7754 4.0651 4.1647 4.2003 4.2343 7.3450 7.3727 8.0154 8.0242 8.6345 8.6477 9.2934 9.3142 k = 0.0000 0.0000 0.7442 ( 4711 PWs) bands (ev): -7.8471 -7.8466 -7.6555 -7.6550 -7.4924 -7.4920 -7.4092 -7.4087 -3.4566 -3.4530 -3.4380 -3.4285 -2.8180 -2.8042 -2.7863 -2.7743 -2.7466 -2.7420 -0.7893 -0.7865 -0.5495 -0.5429 0.4209 0.4352 1.4465 1.4816 1.6959 1.7150 2.2819 2.3038 3.0531 3.0681 3.3468 3.3502 3.5181 3.5525 3.7277 3.8090 4.0740 4.1638 4.2037 4.2351 7.2794 7.3024 7.9856 7.9929 8.6693 8.6801 9.2923 9.3086 k = 0.0000 0.0000 0.7655 ( 4719 PWs) bands (ev): -7.8264 -7.8259 -7.6695 -7.6690 -7.4928 -7.4925 -7.4163 -7.4159 -3.4556 -3.4526 -3.4378 -3.4303 -2.8163 -2.8054 -2.7855 -2.7759 -2.7461 -2.7425 -0.7815 -0.7794 -0.5609 -0.5555 0.4048 0.4155 1.4384 1.4614 1.7337 1.7495 2.2440 2.2609 3.0809 3.0914 3.3358 3.3390 3.5676 3.5927 3.7651 3.8336 4.0839 4.1584 4.2081 4.2345 7.2267 7.2445 7.9609 7.9664 8.6995 8.7079 9.2903 9.3024 k = 0.0000 0.0000 0.7868 ( 4730 PWs) bands (ev): -7.8086 -7.8081 -7.6824 -7.6819 -7.4928 -7.4926 -7.4217 -7.4214 -3.4548 -3.4526 -3.4372 -3.4321 -2.8146 -2.8070 -2.7843 -2.7776 -2.7455 -2.7431 -0.7752 -0.7738 -0.5692 -0.5654 0.3936 0.4007 1.4320 1.4460 1.7673 1.7797 2.2117 2.2238 3.1042 3.1108 3.3243 3.3267 3.6061 3.6229 3.7976 3.8474 4.0958 4.1494 4.2131 4.2321 7.1886 7.2008 7.9425 7.9463 8.7234 8.7292 9.2882 9.2962 k = 0.0000 0.0000 0.8080 ( 4740 PWs) bands (ev): -7.7956 -7.7953 -7.6921 -7.6918 -7.4927 -7.4926 -7.4251 -7.4250 -3.4540 -3.4528 -3.4363 -3.4337 -2.8127 -2.8089 -2.7828 -2.7794 -2.7449 -2.7437 -0.7709 -0.7702 -0.5740 -0.5720 0.3875 0.3911 1.4289 1.4356 1.7927 1.7998 2.1902 2.1967 3.1207 3.1239 3.3154 3.3168 3.6318 3.6403 3.8236 3.8498 4.1094 4.1376 4.2184 4.2284 7.1664 7.1726 7.9315 7.9334 8.7392 8.7421 9.2871 9.2911 k = 0.0000 0.0000 0.8293 ( 4724 PWs) bands (ev): -7.7906 -7.7906 -7.6959 -7.6959 -7.4927 -7.4927 -7.4262 -7.4262 -3.4533 -3.4533 -3.4351 -3.4351 -2.8108 -2.8108 -2.7811 -2.7811 -2.7443 -2.7443 -0.7692 -0.7692 -0.5750 -0.5750 0.3867 0.3867 1.4300 1.4300 1.8046 1.8046 2.1846 2.1846 3.1277 3.1277 3.3125 3.3125 3.6433 3.6433 3.8414 3.8414 4.1239 4.1239 4.2236 4.2236 7.1610 7.1610 7.9284 7.9284 8.7456 8.7456 9.2879 9.2879 k = 0.0000 0.0000 0.8293 ( 4724 PWs) bands (ev): -7.7906 -7.7906 -7.6959 -7.6959 -7.4927 -7.4927 -7.4262 -7.4262 -3.4533 -3.4533 -3.4351 -3.4351 -2.8108 -2.8108 -2.7811 -2.7811 -2.7443 -2.7443 -0.7692 -0.7692 -0.5750 -0.5750 0.3867 0.3867 1.4300 1.4300 1.8046 1.8046 2.1846 2.1846 3.1277 3.1277 3.3125 3.3125 3.6433 3.6433 3.8414 3.8414 4.1239 4.1239 4.2236 4.2236 7.1610 7.1610 7.9284 7.9284 8.7456 8.7456 9.2879 9.2879 k =-0.0119 0.0157 0.8293 ( 4740 PWs) bands (ev): -7.7904 -7.7904 -7.6962 -7.6962 -7.4928 -7.4927 -7.4261 -7.4260 -3.4542 -3.4525 -3.4372 -3.4332 -2.8122 -2.8097 -2.7837 -2.7787 -2.7451 -2.7437 -0.7678 -0.7662 -0.5737 -0.5735 0.3858 0.3874 1.4292 1.4311 1.8032 1.8065 2.1843 2.1853 3.1238 3.1278 3.3087 3.3110 3.6425 3.6430 3.8381 3.8437 4.1178 4.1250 4.2226 4.2244 7.1623 7.1653 7.9300 7.9311 8.7476 8.7532 9.2888 9.2915 k =-0.0238 0.0315 0.8293 ( 4728 PWs) bands (ev): -7.7900 -7.7900 -7.6973 -7.6972 -7.4932 -7.4931 -7.4255 -7.4253 -3.4554 -3.4518 -3.4395 -3.4316 -2.8140 -2.8091 -2.7862 -2.7766 -2.7462 -2.7434 -0.7619 -0.7588 -0.5698 -0.5693 0.3847 0.3879 1.4289 1.4328 1.8025 1.8090 2.1845 2.1865 3.1161 3.1242 3.2997 3.3042 3.6406 3.6415 3.8339 3.8449 4.1072 4.1210 4.2213 4.2244 7.1691 7.1751 7.9359 7.9380 8.7589 8.7700 9.2941 9.2995 k =-0.0357 0.0472 0.8293 ( 4722 PWs) bands (ev): -7.7894 -7.7893 -7.6990 -7.6990 -7.4938 -7.4935 -7.4246 -7.4244 -3.4567 -3.4513 -3.4419 -3.4303 -2.8163 -2.8089 -2.7886 -2.7748 -2.7474 -2.7434 -0.7515 -0.7470 -0.5632 -0.5624 0.3834 0.3883 1.4291 1.4349 1.8023 1.8121 2.1851 2.1881 3.1047 3.1169 3.2858 3.2925 3.6375 3.6389 3.8288 3.8449 4.0931 4.1126 4.2196 4.2232 7.1813 7.1902 7.9458 7.9491 8.7786 8.7956 9.3033 9.3115 k =-0.0476 0.0630 0.8293 ( 4712 PWs) bands (ev): -7.7885 -7.7884 -7.7014 -7.7014 -7.4943 -7.4940 -7.4235 -7.4231 -3.4582 -3.4508 -3.4443 -3.4293 -2.8191 -2.8092 -2.7906 -2.7733 -2.7489 -2.7437 -0.7370 -0.7310 -0.5540 -0.5528 0.3820 0.3884 1.4296 1.4374 1.8026 1.8159 2.1861 2.1902 3.0896 3.1058 3.2674 3.2761 3.6332 3.6354 3.8229 3.8438 4.0762 4.1005 4.2166 4.2200 7.1987 7.2105 7.9596 7.9643 8.8055 8.8286 9.3155 9.3267 k =-0.0595 0.0787 0.8293 ( 4718 PWs) bands (ev): -7.7874 -7.7873 -7.7046 -7.7046 -7.4947 -7.4944 -7.4222 -7.4217 -3.4601 -3.4505 -3.4466 -3.4286 -2.8225 -2.8100 -2.7922 -2.7722 -2.7504 -2.7442 -0.7183 -0.7111 -0.5423 -0.5408 0.3804 0.3883 1.4306 1.4405 1.8035 1.8203 2.1875 2.1928 3.0708 3.0911 3.2450 3.2557 3.6279 3.6309 3.8162 3.8414 4.0572 4.0856 4.2119 4.2147 7.2212 7.2356 7.9771 7.9834 8.8377 8.8671 9.3294 9.3439 k =-0.0714 0.0945 0.8293 ( 4702 PWs) bands (ev): -7.7862 -7.7861 -7.7086 -7.7085 -7.4949 -7.4945 -7.4207 -7.4202 -3.4622 -3.4505 -3.4487 -3.4282 -2.8263 -2.8112 -2.7932 -2.7714 -2.7521 -2.7450 -0.6957 -0.6874 -0.5283 -0.5262 0.3786 0.3879 1.4321 1.4441 1.8048 1.8253 2.1891 2.1957 3.0484 3.0728 3.2194 3.2322 3.6217 3.6256 3.8088 3.8379 4.0367 4.0687 4.2052 4.2071 7.2483 7.2652 7.9979 8.0059 8.8727 8.9085 9.3430 9.3612 k =-0.0833 0.1102 0.8293 ( 4714 PWs) bands (ev): -7.7850 -7.7848 -7.7132 -7.7131 -7.4946 -7.4942 -7.4191 -7.4187 -3.4647 -3.4512 -3.4499 -3.4281 -2.8306 -2.8128 -2.7939 -2.7710 -2.7537 -2.7459 -0.6695 -0.6604 -0.5121 -0.5093 0.3766 0.3873 1.4340 1.4482 1.8066 1.8310 2.1911 2.1990 3.0222 3.0509 3.1914 3.2064 3.6145 3.6194 3.8008 3.8333 4.0152 4.0504 4.1961 4.1972 7.2798 7.2990 8.0215 8.0316 8.9071 8.9490 9.3534 9.3761 k =-0.0952 0.1260 0.8293 ( 4714 PWs) bands (ev): -7.7838 -7.7836 -7.7185 -7.7184 -7.4937 -7.4933 -7.4176 -7.4171 -3.4674 -3.4529 -3.4501 -3.4283 -2.8351 -2.8147 -2.7943 -2.7710 -2.7553 -2.7471 -0.6401 -0.6303 -0.4940 -0.4903 0.3745 0.3864 1.4364 1.4529 1.8088 1.8374 2.1932 2.2027 2.9924 3.0254 3.1618 3.1795 3.6065 3.6125 3.7921 3.8277 3.9930 4.0312 4.1847 4.1851 7.3152 7.3365 8.0473 8.0598 8.9370 8.9841 9.3567 9.3850 k =-0.1071 0.1417 0.8293 ( 4722 PWs) bands (ev): -7.7828 -7.7826 -7.7244 -7.7242 -7.4923 -7.4919 -7.4160 -7.4155 -3.4703 -3.4546 -3.4503 -3.4287 -2.8399 -2.8168 -2.7946 -2.7711 -2.7568 -2.7484 -0.6077 -0.5976 -0.4740 -0.4693 0.3724 0.3853 1.4394 1.4583 1.8115 1.8444 2.1954 2.2067 2.9592 2.9966 3.1317 3.1523 3.5978 3.6047 3.7827 3.8211 3.9706 4.0114 4.1706 4.1716 7.3541 7.3773 8.0748 8.0901 8.9584 9.0087 9.3490 9.3841 k =-0.1190 0.1574 0.8293 ( 4736 PWs) bands (ev): -7.7823 -7.7820 -7.7306 -7.7303 -7.4902 -7.4897 -7.4144 -7.4139 -3.4732 -3.4561 -3.4506 -3.4293 -2.8446 -2.8191 -2.7949 -2.7715 -2.7583 -2.7499 -0.5730 -0.5628 -0.4525 -0.4465 0.3702 0.3840 1.4429 1.4644 1.8145 1.8520 2.1978 2.2110 2.9229 2.9645 3.1019 3.1257 3.5884 3.5961 3.7728 3.8138 3.9481 3.9914 4.1544 4.1562 7.3961 7.4209 8.1032 8.1216 8.9678 9.0188 9.3283 9.3712 k =-0.1309 0.1732 0.8293 ( 4736 PWs) bands (ev): -7.7827 -7.7823 -7.7367 -7.7363 -7.4873 -7.4869 -7.4128 -7.4123 -3.4761 -3.4576 -3.4511 -3.4300 -2.8493 -2.8216 -2.7951 -2.7720 -2.7597 -2.7515 -0.5363 -0.5263 -0.4298 -0.4221 0.3683 0.3825 1.4472 1.4713 1.8180 1.8604 2.2001 2.2155 2.8842 2.9295 3.0733 3.1001 3.5785 3.5868 3.7624 3.8057 3.9257 3.9714 4.1367 4.1391 7.4406 7.4667 8.1314 8.1535 8.9634 9.0132 9.2954 9.3460 k =-0.1428 0.1889 0.8293 ( 4736 PWs) bands (ev): -7.7843 -7.7839 -7.7423 -7.7418 -7.4838 -7.4834 -7.4111 -7.4107 -3.4790 -3.4591 -3.4517 -3.4309 -2.8538 -2.8242 -2.7955 -2.7726 -2.7610 -2.7530 -0.4983 -0.4887 -0.4062 -0.3966 0.3668 0.3811 1.4522 1.4791 1.8219 1.8694 2.2023 2.2201 2.8439 2.8923 3.0465 3.0759 3.5680 3.5767 3.7515 3.7971 3.9036 3.9516 4.1176 4.1204 7.4871 7.5143 8.1584 8.1847 8.9456 8.9935 9.2523 9.3088 k =-0.1428 0.1889 0.8293 ( 4736 PWs) bands (ev): -7.7843 -7.7839 -7.7423 -7.7418 -7.4838 -7.4834 -7.4111 -7.4107 -3.4790 -3.4591 -3.4517 -3.4309 -2.8538 -2.8242 -2.7955 -2.7726 -2.7610 -2.7530 -0.4983 -0.4887 -0.4062 -0.3966 0.3668 0.3811 1.4522 1.4791 1.8219 1.8694 2.2023 2.2201 2.8439 2.8923 3.0465 3.0759 3.5680 3.5767 3.7515 3.7971 3.9036 3.9516 4.1176 4.1204 7.4871 7.5143 8.1584 8.1847 8.9456 8.9935 9.2523 9.3088 k =-0.1517 0.2008 0.8145 ( 4737 PWs) bands (ev): -7.7795 -7.7791 -7.7560 -7.7555 -7.4721 -7.4718 -7.4153 -7.4149 -3.4810 -3.4598 -3.4519 -3.4323 -2.8563 -2.8271 -2.7949 -2.7730 -2.7623 -2.7547 -0.4811 -0.4710 -0.3739 -0.3612 0.3639 0.3772 1.4601 1.4860 1.8179 1.8726 2.2077 2.2223 2.8013 2.8520 3.0503 3.0787 3.5406 3.5490 3.7625 3.7895 3.9023 3.9397 4.0925 4.0966 7.5237 7.5519 8.1834 8.2118 8.9114 8.9559 9.2113 9.2713 k =-0.1606 0.2126 0.7997 ( 4733 PWs) bands (ev): -7.7767 -7.7763 -7.7687 -7.7682 -7.4597 -7.4594 -7.4192 -7.4188 -3.4829 -3.4606 -3.4519 -3.4338 -2.8587 -2.8301 -2.7943 -2.7734 -2.7635 -2.7564 -0.4688 -0.4567 -0.3362 -0.3211 0.3642 0.3763 1.4698 1.4953 1.8076 1.8681 2.2180 2.2296 2.7624 2.8143 3.0532 3.0805 3.5025 3.5100 3.7666 3.7771 3.9051 3.9366 4.0677 4.0729 7.5668 7.5963 8.2096 8.2401 8.8692 8.9105 9.1663 9.2283 k =-0.1696 0.2244 0.7849 ( 4733 PWs) bands (ev): -7.7835 -7.7833 -7.7720 -7.7720 -7.4474 -7.4472 -7.4222 -7.4218 -3.4848 -3.4618 -3.4516 -3.4352 -2.8609 -2.8330 -2.7938 -2.7738 -2.7646 -2.7581 -0.4597 -0.4448 -0.2951 -0.2782 0.3681 0.3786 1.4812 1.5066 1.7925 1.8572 2.2299 2.2405 2.7286 2.7803 3.0552 3.0810 3.4557 3.4628 3.7581 3.7614 3.9115 3.9408 4.0453 4.0513 7.6156 7.6466 8.2355 8.2682 8.8220 8.8601 9.1179 9.1806 k =-0.1785 0.2362 0.7700 ( 4730 PWs) bands (ev): -7.7958 -7.7955 -7.7707 -7.7707 -7.4384 -7.4383 -7.4212 -7.4211 -3.4866 -3.4630 -3.4513 -3.4365 -2.8629 -2.8358 -2.7934 -2.7743 -2.7656 -2.7596 -0.4528 -0.4347 -0.2519 -0.2336 0.3758 0.3842 1.4939 1.5199 1.7740 1.8416 2.2393 2.2531 2.7017 2.7510 3.0561 3.0802 3.4027 3.4104 3.7329 3.7440 3.9211 3.9481 4.0272 4.0347 7.6693 7.7019 8.2596 8.2942 8.7726 8.8080 9.0667 9.1291 k =-0.1874 0.2480 0.7552 ( 4730 PWs) bands (ev): -7.8079 -7.8076 -7.7698 -7.7697 -7.4377 -7.4373 -7.4119 -7.4119 -3.4882 -3.4644 -3.4510 -3.4377 -2.8646 -2.8385 -2.7930 -2.7748 -2.7665 -2.7611 -0.4477 -0.4262 -0.2077 -0.1882 0.3872 0.3934 1.5076 1.5348 1.7535 1.8229 2.2439 2.2644 2.6837 2.7278 3.0551 3.0778 3.3456 3.3555 3.7001 3.7162 3.9318 3.9547 4.0135 4.0271 7.7270 7.7611 8.2798 8.3159 8.7240 8.7573 9.0139 9.0749 k =-0.1964 0.2598 0.7404 ( 4728 PWs) bands (ev): -7.8196 -7.8192 -7.7693 -7.7692 -7.4406 -7.4402 -7.3989 -7.3988 -3.4897 -3.4658 -3.4508 -3.4386 -2.8663 -2.8411 -2.7928 -2.7755 -2.7672 -2.7624 -0.4441 -0.4192 -0.1630 -0.1427 0.4025 0.4062 1.5218 1.5511 1.7321 1.8024 2.2426 2.2714 2.6757 2.7116 3.0504 3.0737 3.2866 3.3011 3.6605 3.6795 3.9391 3.9605 4.0050 4.0299 7.7875 7.8229 8.2937 8.3302 8.6794 8.7111 8.9606 9.0200 k =-0.2053 0.2717 0.7256 ( 4731 PWs) bands (ev): -7.8307 -7.8303 -7.7691 -7.7690 -7.4442 -7.4439 -7.3852 -7.3850 -3.4910 -3.4673 -3.4508 -3.4393 -2.8677 -2.8434 -2.7927 -2.7763 -2.7677 -2.7634 -0.4418 -0.4136 -0.1186 -0.0976 0.4213 0.4228 1.5355 1.5684 1.7112 1.7813 2.2349 2.2726 2.6781 2.7028 3.0386 3.0675 3.2281 3.2511 3.6154 3.6359 3.9407 3.9660 4.0039 4.0400 7.8495 7.8858 8.2988 8.3338 8.6419 8.6728 8.9087 8.9662 k =-0.2142 0.2835 0.7108 ( 4725 PWs) bands (ev): -7.8412 -7.8408 -7.7692 -7.7690 -7.4481 -7.4477 -7.3716 -7.3713 -3.4923 -3.4688 -3.4511 -3.4396 -2.8691 -2.8456 -2.7928 -2.7773 -2.7681 -2.7642 -0.4408 -0.4093 -0.0749 -0.0535 0.4418 0.4447 1.5476 1.5859 1.6922 1.7608 2.2214 2.2678 2.6895 2.7012 3.0156 3.0565 3.1743 3.2101 3.5663 3.5874 3.9392 3.9682 4.0112 4.0537 7.9114 7.9476 8.2942 8.3251 8.6131 8.6440 8.8600 8.9163 k =-0.2232 0.2953 0.6960 ( 4741 PWs) bands (ev): -7.8510 -7.8506 -7.7694 -7.7692 -7.4520 -7.4517 -7.3583 -7.3580 -3.4934 -3.4703 -3.4516 -3.4395 -2.8703 -2.8473 -2.7931 -2.7783 -2.7684 -2.7646 -0.4408 -0.4063 -0.0324 -0.0107 0.4644 0.4704 1.5558 1.6020 1.6777 1.7427 2.2037 2.2580 2.7028 2.7103 2.9800 3.0325 3.1340 3.1807 3.5149 3.5361 3.9372 3.9680 4.0236 4.0689 7.9707 8.0048 8.2819 8.3057 8.5913 8.6237 8.8172 8.8734 k =-0.2321 0.3071 0.6812 ( 4741 PWs) bands (ev): -7.8602 -7.8598 -7.7697 -7.7694 -7.4559 -7.4555 -7.3457 -7.3453 -3.4943 -3.4717 -3.4525 -3.4392 -2.8716 -2.8487 -2.7937 -2.7794 -2.7686 -2.7646 -0.4417 -0.4045 0.0084 0.0302 0.4896 0.4988 1.5576 1.6132 1.6715 1.7299 2.1837 2.2448 2.7106 2.7334 2.9344 2.9897 3.1131 3.1616 3.4626 3.4837 3.9353 3.9672 4.0376 4.0844 8.0232 8.0510 8.2692 8.2827 8.5718 8.6069 8.7839 8.8408 k =-0.2410 0.3189 0.6664 ( 4741 PWs) bands (ev): -7.8687 -7.8683 -7.7698 -7.7695 -7.4597 -7.4594 -7.3338 -7.3333 -3.4951 -3.4731 -3.4535 -3.4385 -2.8729 -2.8497 -2.7945 -2.7806 -2.7688 -2.7643 -0.4433 -0.4037 0.0470 0.0689 0.5165 0.5291 1.5519 1.6142 1.6770 1.7260 2.1629 2.2296 2.7184 2.7598 2.8842 2.9366 3.1034 3.1493 3.4110 3.4321 3.9336 3.9668 4.0519 4.0998 8.0610 8.0761 8.2639 8.2716 8.5502 8.5871 8.7641 8.8211 k =-0.2499 0.3307 0.6515 ( 4739 PWs) bands (ev): -7.8765 -7.8761 -7.7699 -7.7695 -7.4634 -7.4631 -7.3227 -7.3222 -3.4958 -3.4744 -3.4546 -3.4377 -2.8743 -2.8501 -2.7956 -2.7816 -2.7690 -2.7638 -0.4454 -0.4037 0.0831 0.1049 0.5445 0.5603 1.5407 1.6051 1.6909 1.7327 2.1428 2.2139 2.7221 2.7853 2.8358 2.8829 3.0970 3.1408 3.3616 3.3831 3.9321 3.9667 4.0657 4.1146 8.0735 8.0747 8.2688 8.2899 8.5246 8.5611 8.7598 8.8142 k =-0.2589 0.3426 0.6367 ( 4743 PWs) bands (ev): -7.8835 -7.8831 -7.7698 -7.7694 -7.4670 -7.4666 -7.3126 -7.3120 -3.4964 -3.4756 -3.4557 -3.4368 -2.8758 -2.8501 -2.7969 -2.7825 -2.7691 -2.7630 -0.4478 -0.4044 0.1163 0.1379 0.5724 0.5914 1.5273 1.5907 1.7081 1.7478 2.1243 2.1988 2.7111 2.7928 2.8000 2.8486 3.0899 3.1347 3.3158 3.3386 3.9307 3.9670 4.0788 4.1286 8.0550 8.0622 8.2932 8.3208 8.4966 8.5303 8.7688 8.8177 k =-0.2678 0.3544 0.6219 ( 4742 PWs) bands (ev): -7.8898 -7.8894 -7.7694 -7.7690 -7.4704 -7.4701 -7.3036 -7.3029 -3.4969 -3.4767 -3.4569 -3.4359 -2.8773 -2.8497 -2.7985 -2.7832 -2.7692 -2.7622 -0.4504 -0.4055 0.1461 0.1676 0.5993 0.6210 1.5141 1.5747 1.7265 1.7681 2.1083 2.1852 2.6757 2.7510 2.7897 2.8624 3.0800 3.1299 3.2755 3.3002 3.9293 3.9674 4.0909 4.1415 8.0289 8.0387 8.3264 8.3527 8.4684 8.4986 8.7870 8.8287 k =-0.2767 0.3662 0.6071 ( 4746 PWs) bands (ev): -7.8953 -7.8948 -7.7688 -7.7684 -7.4737 -7.4734 -7.2956 -7.2949 -3.4974 -3.4777 -3.4580 -3.4349 -2.8788 -2.8488 -2.8003 -2.7838 -2.7693 -2.7612 -0.4529 -0.4070 0.1722 0.1937 0.6238 0.6479 1.5030 1.5594 1.7451 1.7912 2.0955 2.1738 2.6274 2.6983 2.7912 2.8880 3.0664 3.1257 3.2423 3.2694 3.9278 3.9679 4.1019 4.1532 8.0025 8.0126 8.3586 8.3788 8.4431 8.4706 8.8105 8.8445 k =-0.2857 0.3780 0.5923 ( 4746 PWs) bands (ev): -7.8999 -7.8995 -7.7679 -7.7675 -7.4769 -7.4766 -7.2889 -7.2881 -3.4977 -3.4786 -3.4590 -3.4340 -2.8804 -2.8476 -2.8022 -2.7842 -2.7694 -2.7602 -0.4554 -0.4087 0.1941 0.2159 0.6449 0.6708 1.4949 1.5466 1.7636 1.8156 2.0866 2.1651 2.5760 2.6455 2.7954 2.9131 3.0502 3.1211 3.2180 3.2464 3.9262 3.9684 4.1118 4.1635 7.9787 7.9888 8.3788 8.3932 8.4264 8.4553 8.8351 8.8629 k =-0.2946 0.3898 0.5775 ( 4754 PWs) bands (ev): -7.9038 -7.9034 -7.7668 -7.7663 -7.4799 -7.4796 -7.2833 -7.2826 -3.4980 -3.4793 -3.4600 -3.4330 -2.8818 -2.8461 -2.8042 -2.7844 -2.7694 -2.7592 -0.4575 -0.4104 0.2116 0.2339 0.6613 0.6886 1.4903 1.5374 1.7816 1.8402 2.0821 2.1598 2.5249 2.5942 2.7997 2.9339 3.0355 3.1151 3.2034 3.2305 3.9244 3.9688 4.1204 4.1724 7.9595 7.9695 8.3738 8.3854 8.4349 8.4606 8.8567 8.8823 k =-0.3035 0.4016 0.5627 ( 4761 PWs) bands (ev): -7.9069 -7.9065 -7.7653 -7.7648 -7.4827 -7.4824 -7.2790 -7.2782 -3.4982 -3.4798 -3.4609 -3.4322 -2.8832 -2.8443 -2.8064 -2.7845 -2.7694 -2.7582 -0.4593 -0.4120 0.2242 0.2473 0.6724 0.7004 1.4889 1.5332 1.7988 1.8643 2.0822 2.1581 2.4758 2.5453 2.8037 2.9446 3.0294 3.1083 3.1978 3.2202 3.9224 3.9689 4.1277 4.1797 7.9457 7.9560 8.3592 8.3658 8.4551 8.4759 8.8720 8.9002 k =-0.3125 0.4135 0.5479 ( 4755 PWs) bands (ev): -7.9091 -7.9087 -7.7635 -7.7630 -7.4854 -7.4851 -7.2760 -7.2752 -3.4984 -3.4801 -3.4616 -3.4313 -2.8844 -2.8424 -2.8085 -2.7844 -2.7693 -2.7573 -0.4607 -0.4135 0.2317 0.2556 0.6777 0.7060 1.4897 1.5344 1.8150 1.8872 2.0871 2.1601 2.4301 2.4992 2.8080 2.9417 3.0375 3.1022 3.1991 3.2142 3.9202 3.9688 4.1336 4.1853 7.9384 7.9490 8.3440 8.3475 8.4743 8.4937 8.8798 8.9135 k =-0.3214 0.4253 0.5331 ( 4751 PWs) bands (ev): -7.9105 -7.9101 -7.7613 -7.7608 -7.4879 -7.4876 -7.2742 -7.2734 -3.4986 -3.4803 -3.4622 -3.4306 -2.8855 -2.8402 -2.8106 -2.7842 -2.7693 -2.7564 -0.4615 -0.4147 0.2337 0.2585 0.6774 0.7054 1.4918 1.5410 1.8301 1.9080 2.0967 2.1657 2.3892 2.4570 2.8129 2.9309 3.0551 3.0981 3.2048 3.2122 3.9177 3.9685 4.1382 4.1891 7.9378 7.9490 8.3281 8.3350 8.4916 8.5118 8.8798 8.9193 k =-0.3214 0.4253 0.5331 ( 4751 PWs) bands (ev): -7.9105 -7.9101 -7.7613 -7.7608 -7.4879 -7.4876 -7.2742 -7.2734 -3.4986 -3.4803 -3.4622 -3.4306 -2.8855 -2.8402 -2.8106 -2.7842 -2.7693 -2.7564 -0.4615 -0.4147 0.2337 0.2585 0.6774 0.7054 1.4918 1.5410 1.8301 1.9080 2.0967 2.1657 2.3892 2.4570 2.8129 2.9309 3.0551 3.0981 3.2048 3.2122 3.9177 3.9685 4.1382 4.1891 7.9378 7.9490 8.3281 8.3350 8.4916 8.5118 8.8798 8.9193 k =-0.3125 0.4135 0.5182 ( 4759 PWs) bands (ev): -7.9164 -7.9159 -7.7547 -7.7542 -7.4899 -7.4897 -7.2713 -7.2704 -3.4993 -3.4795 -3.4602 -3.4296 -2.8847 -2.8400 -2.8097 -2.7812 -2.7699 -2.7554 -0.4764 -0.4316 0.2544 0.2820 0.6939 0.7169 1.4642 1.5094 1.8092 1.8862 2.0912 2.1565 2.3629 2.4285 2.7884 2.9124 3.0690 3.0761 3.1979 3.2328 3.9303 3.9788 4.1553 4.2053 7.9946 8.0051 8.3720 8.3786 8.5477 8.5743 8.8960 8.9281 k =-0.3035 0.4016 0.5034 ( 4747 PWs) bands (ev): -7.9263 -7.9258 -7.7455 -7.7450 -7.4900 -7.4899 -7.2682 -7.2674 -3.4998 -3.4787 -3.4581 -3.4287 -2.8835 -2.8396 -2.8085 -2.7782 -2.7706 -2.7545 -0.4930 -0.4505 0.2667 0.2971 0.7216 0.7394 1.4366 1.4782 1.7889 1.8666 2.0883 2.1492 2.3326 2.3973 2.7644 2.8898 3.0533 3.0934 3.1927 3.2618 3.9374 3.9832 4.1711 4.2195 8.0530 8.0628 8.4112 8.4177 8.5938 8.6291 8.9118 8.9418 k =-0.2946 0.3898 0.4886 ( 4757 PWs) bands (ev): -7.9398 -7.9394 -7.7341 -7.7337 -7.4884 -7.4883 -7.2652 -7.2644 -3.4999 -3.4778 -3.4559 -3.4279 -2.8820 -2.8391 -2.8073 -2.7752 -2.7713 -2.7536 -0.5112 -0.4710 0.2714 0.3045 0.7586 0.7720 1.4093 1.4479 1.7692 1.8489 2.0883 2.1442 2.2985 2.3639 2.7409 2.8635 3.0438 3.1126 3.1959 3.2931 3.9389 3.9817 4.1850 4.2316 8.1123 8.1217 8.4452 8.4517 8.6308 8.6749 8.9256 8.9626 k =-0.2857 0.3780 0.4738 ( 4763 PWs) bands (ev): -7.9564 -7.9559 -7.7209 -7.7204 -7.4853 -7.4852 -7.2621 -7.2613 -3.4997 -3.4768 -3.4535 -3.4272 -2.8801 -2.8383 -2.8058 -2.7727 -2.7717 -2.7529 -0.5306 -0.4930 0.2703 0.3056 0.8014 0.8132 1.3826 1.4192 1.7503 1.8328 2.0913 2.1418 2.2615 2.3287 2.7178 2.8348 3.0420 3.1293 3.2086 3.3263 3.9347 3.9746 4.1966 4.2414 8.1719 8.1811 8.4735 8.4807 8.6609 8.7117 8.9392 8.9872 k =-0.2768 0.3662 0.4590 ( 4765 PWs) bands (ev): -7.9753 -7.9749 -7.7062 -7.7058 -7.4809 -7.4808 -7.2590 -7.2582 -3.4992 -3.4758 -3.4511 -3.4265 -2.8779 -2.8374 -2.8043 -2.7731 -2.7693 -2.7522 -0.5510 -0.5161 0.2653 0.3024 0.8465 0.8610 1.3572 1.3930 1.7322 1.8181 2.0974 2.1418 2.2227 2.2921 2.6961 2.8056 3.0460 3.1428 3.2302 3.3612 3.9250 3.9623 4.2055 4.2488 8.2307 8.2403 8.4964 8.5046 8.6873 8.7409 8.9536 9.0116 k =-0.2678 0.3544 0.4442 ( 4761 PWs) bands (ev): -7.9961 -7.9957 -7.6904 -7.6900 -7.4754 -7.4753 -7.2560 -7.2551 -3.4983 -3.4746 -3.4486 -3.4260 -2.8754 -2.8363 -2.8027 -2.7739 -2.7666 -2.7516 -0.5722 -0.5399 0.2578 0.2965 0.8915 0.9119 1.3343 1.3707 1.7149 1.8042 2.1060 2.1422 2.1843 2.2548 2.6766 2.7779 3.0542 3.1540 3.2583 3.3974 3.9099 3.9451 4.2114 4.2537 8.2876 8.2978 8.5141 8.5240 8.7126 8.7652 8.9679 9.0330 k =-0.2589 0.3426 0.4294 ( 4749 PWs) bands (ev): -8.0182 -8.0179 -7.6738 -7.6734 -7.4691 -7.4688 -7.2529 -7.2521 -3.4972 -3.4734 -3.4461 -3.4255 -2.8725 -2.8351 -2.8009 -2.7749 -2.7640 -2.7511 -0.5939 -0.5643 0.2489 0.2890 0.9339 0.9622 1.3155 1.3540 1.6983 1.7909 2.1162 2.1282 2.1613 2.2180 2.6609 2.7531 3.0652 3.1638 3.2905 3.4347 3.8899 3.9236 4.2141 4.2562 8.3407 8.3517 8.5275 8.5401 8.7394 8.7878 8.9803 9.0499 k =-0.2500 0.3308 0.4146 ( 4757 PWs) bands (ev): -8.0413 -8.0411 -7.6565 -7.6561 -7.4620 -7.4617 -7.2499 -7.2491 -3.4958 -3.4720 -3.4436 -3.4251 -2.8694 -2.8337 -2.7991 -2.7758 -2.7615 -2.7507 -0.6159 -0.5890 0.2395 0.2808 0.9705 1.0077 1.3039 1.3454 1.6825 1.7779 2.0907 2.1245 2.1618 2.1853 2.6503 2.7329 3.0777 3.1724 3.3255 3.4725 3.8654 3.8983 4.2136 4.2566 8.3870 8.3985 8.5382 8.5554 8.7697 8.8116 8.9891 9.0612 k =-0.2410 0.3190 0.3998 ( 4745 PWs) bands (ev): -8.0652 -8.0649 -7.6388 -7.6384 -7.4544 -7.4540 -7.2469 -7.2461 -3.4941 -3.4706 -3.4412 -3.4248 -2.8659 -2.8322 -2.7973 -2.7768 -2.7592 -2.7504 -0.6379 -0.6136 0.2301 0.2725 0.9981 1.0433 1.3040 1.3474 1.6672 1.7650 2.0492 2.1171 2.1622 2.1732 2.6466 2.7187 3.0908 3.1796 3.3622 3.5102 3.8370 3.8703 4.2103 4.2552 8.4211 8.4334 8.5495 8.5743 8.8049 8.8392 8.9926 9.0661 k =-0.2321 0.3071 0.3850 ( 4741 PWs) bands (ev): -8.0894 -8.0892 -7.6207 -7.6204 -7.4463 -7.4459 -7.2439 -7.2431 -3.4921 -3.4691 -3.4388 -3.4246 -2.8622 -2.8305 -2.7954 -2.7778 -2.7570 -2.7501 -0.6599 -0.6381 0.2210 0.2647 1.0148 1.0640 1.3201 1.3612 1.6525 1.7523 2.0073 2.0874 2.1679 2.1775 2.6511 2.7120 3.1036 3.1847 3.3998 3.5466 3.8055 3.8407 4.2043 4.2524 8.4364 8.4508 8.5674 8.6003 8.8452 8.8723 8.9896 9.0626 k =-0.2232 0.2953 0.3702 ( 4741 PWs) bands (ev): -8.1138 -8.1136 -7.6024 -7.6021 -7.4380 -7.4375 -7.2410 -7.2403 -3.4900 -3.4675 -3.4364 -3.4244 -2.8583 -2.8287 -2.7936 -2.7789 -2.7550 -2.7500 -0.6815 -0.6622 0.2126 0.2575 1.0209 1.0697 1.3521 1.3857 1.6383 1.7397 1.9659 2.0517 2.1745 2.1838 2.6650 2.7140 3.1154 3.1871 3.4376 3.5791 3.7718 3.8125 4.1962 4.2489 8.4324 8.4487 8.5941 8.6320 8.8874 8.9113 8.9794 9.0468 k =-0.2143 0.2835 0.3554 ( 4739 PWs) bands (ev): -8.1383 -8.1381 -7.5840 -7.5837 -7.4294 -7.4289 -7.2382 -7.2375 -3.4876 -3.4658 -3.4342 -3.4243 -2.8542 -2.8268 -2.7918 -2.7799 -2.7532 -2.7500 -0.7028 -0.6857 0.2051 0.2512 1.0188 1.0648 1.3951 1.4175 1.6250 1.7275 1.9254 2.0154 2.1769 2.1907 2.6887 2.7255 3.1253 3.1864 3.4741 3.6026 3.7376 3.7912 4.1866 4.2451 8.4124 8.4299 8.6261 8.6654 8.9098 8.9514 8.9775 9.0131 k =-0.2053 0.2717 0.3406 ( 4741 PWs) bands (ev): -8.1626 -8.1624 -7.5656 -7.5654 -7.4207 -7.4202 -7.2355 -7.2348 -3.4850 -3.4641 -3.4321 -3.4243 -2.8498 -2.8247 -2.7901 -2.7809 -2.7516 -2.7500 -0.7235 -0.7086 0.1987 0.2460 1.0117 1.0542 1.4432 1.4527 1.6130 1.7163 1.8861 1.9795 2.1761 2.1958 2.7216 2.7467 3.1328 3.1824 3.5067 3.6093 3.7050 3.7860 4.1762 4.2419 8.3791 8.3976 8.6592 8.6969 8.8745 8.9311 9.0095 9.0198 k =-0.1964 0.2599 0.3258 ( 4739 PWs) bands (ev): -8.1866 -8.1864 -7.5473 -7.5470 -7.4120 -7.4115 -7.2328 -7.2322 -3.4823 -3.4624 -3.4302 -3.4243 -2.8454 -2.8225 -2.7885 -2.7819 -2.7504 -2.7498 -0.7436 -0.7306 0.1934 0.2420 1.0019 1.0413 1.4817 1.4968 1.6034 1.7070 1.8485 1.9448 2.1734 2.1980 2.7629 2.7768 3.1369 3.1755 3.5275 3.5979 3.6799 3.8012 4.1657 4.2398 8.3338 8.3533 8.6887 8.7209 8.8116 8.8535 9.0409 9.0676 k =-0.1875 0.2481 0.3109 ( 4741 PWs) bands (ev): -8.2101 -8.2100 -7.5291 -7.5289 -7.4033 -7.4028 -7.2303 -7.2296 -3.4795 -3.4607 -3.4284 -3.4243 -2.8408 -2.8202 -2.7870 -2.7829 -2.7506 -2.7487 -0.7629 -0.7516 0.1894 0.2392 0.9912 1.0280 1.5047 1.5462 1.5988 1.7020 1.8130 1.9118 2.1697 2.1978 2.8111 2.8141 3.1354 3.1680 3.5232 3.5764 3.6752 3.8301 4.1559 4.2392 8.2772 8.2978 8.6849 8.7078 8.7637 8.7992 9.0499 9.0996 k =-0.1786 0.2363 0.2961 ( 4741 PWs) bands (ev): -8.2332 -8.2331 -7.5112 -7.5110 -7.3948 -7.3943 -7.2278 -7.2272 -3.4767 -3.4590 -3.4270 -3.4242 -2.8361 -2.8178 -2.7857 -2.7837 -2.7509 -2.7476 -0.7814 -0.7716 0.1867 0.2377 0.9808 1.0155 1.5132 1.5845 1.6067 1.7042 1.7807 1.8812 2.1658 2.1956 2.8555 2.8644 3.1257 3.1644 3.4958 3.5474 3.6951 3.8655 4.1476 4.2406 8.2102 8.2317 8.6074 8.6302 8.7706 8.8072 9.0509 9.1062 k =-0.1696 0.2244 0.2813 ( 4745 PWs) bands (ev): -8.2556 -8.2555 -7.4936 -7.4934 -7.3864 -7.3858 -7.2255 -7.2249 -3.4737 -3.4573 -3.4260 -3.4239 -2.8314 -2.8153 -2.7852 -2.7837 -2.7514 -2.7467 -0.7990 -0.7906 0.1853 0.2376 0.9714 1.0045 1.5096 1.5881 1.6418 1.7127 1.7560 1.8548 2.1623 2.1922 2.8972 2.9199 3.1089 3.1670 3.4592 3.5147 3.7275 3.9034 4.1416 4.2441 8.1338 8.1559 8.5134 8.5324 8.7858 8.8230 9.0562 9.1091 k =-0.1607 0.2126 0.2665 ( 4745 PWs) bands (ev): -8.2773 -8.2772 -7.4763 -7.4761 -7.3781 -7.3776 -7.2233 -7.2228 -3.4707 -3.4556 -3.4257 -3.4231 -2.8267 -2.8127 -2.7858 -2.7827 -2.7520 -2.7460 -0.8157 -0.8083 0.1854 0.2388 0.9635 0.9953 1.4995 1.5803 1.6678 1.7128 1.7551 1.8363 2.1599 2.1883 2.9329 2.9724 3.0909 3.1773 3.4210 3.4833 3.7645 3.9420 4.1385 4.2499 8.0490 8.0715 8.4167 8.4322 8.7888 8.8309 9.0706 9.1188 k =-0.1518 0.2008 0.2517 ( 4751 PWs) bands (ev): -8.2982 -8.2981 -7.4595 -7.4594 -7.3702 -7.3697 -7.2212 -7.2208 -3.4678 -3.4540 -3.4256 -3.4222 -2.8221 -2.8101 -2.7865 -2.7817 -2.7526 -2.7455 -0.8315 -0.8249 0.1868 0.2412 0.9575 0.9885 1.4864 1.5676 1.6635 1.7106 1.7749 1.8323 2.1589 2.1843 2.9566 3.0056 3.0865 3.1970 3.3866 3.4583 3.8033 3.9798 4.1389 4.2577 7.9570 7.9796 8.3206 8.3332 8.7756 8.8243 9.0958 9.1400 k =-0.1428 0.1890 0.2369 ( 4759 PWs) bands (ev): -8.3183 -8.3182 -7.4432 -7.4431 -7.3625 -7.3620 -7.2193 -7.2189 -3.4648 -3.4524 -3.4257 -3.4214 -2.8176 -2.8074 -2.7871 -2.7806 -2.7534 -2.7452 -0.8463 -0.8402 0.1895 0.2447 0.9537 0.9841 1.4718 1.5523 1.6432 1.7019 1.7979 1.8447 2.1596 2.1807 2.9659 3.0001 3.1107 3.2185 3.3664 3.4457 3.8426 4.0156 4.1435 4.2674 7.8591 7.8814 8.2267 8.2368 8.7476 8.8008 9.1311 9.1733 k =-0.1339 0.1772 0.2221 ( 4751 PWs) bands (ev): -8.3374 -8.3373 -7.4275 -7.4274 -7.3552 -7.3547 -7.2175 -7.2172 -3.4619 -3.4509 -3.4258 -3.4208 -2.8132 -2.8047 -2.7877 -2.7797 -2.7543 -2.7450 -0.8601 -0.8544 0.1934 0.2493 0.9522 0.9823 1.4566 1.5357 1.6210 1.6840 1.8172 1.8653 2.1622 2.1781 2.9638 2.9773 3.1355 3.2201 3.3795 3.4533 3.8819 4.0482 4.1532 4.2786 7.7566 7.7784 8.1362 8.1441 8.7078 8.7624 9.1743 9.2161 k =-0.1250 0.1654 0.2073 ( 4759 PWs) bands (ev): -8.3555 -8.3554 -7.4124 -7.4123 -7.3482 -7.3477 -7.2159 -7.2156 -3.4591 -3.4495 -3.4259 -3.4203 -2.8091 -2.8020 -2.7881 -2.7787 -2.7553 -2.7450 -0.8729 -0.8674 0.1986 0.2548 0.9532 0.9834 1.4411 1.5187 1.5998 1.6621 1.8301 1.8855 2.1665 2.1772 2.9512 2.9558 3.1430 3.1975 3.4263 3.4855 3.9211 4.0763 4.1689 4.2911 7.6507 7.6718 8.0497 8.0559 8.6594 8.7128 9.2230 9.2656 k =-0.1161 0.1536 0.1925 ( 4767 PWs) bands (ev): -8.3726 -8.3725 -7.3980 -7.3979 -7.3416 -7.3411 -7.2144 -7.2142 -3.4564 -3.4481 -3.4260 -3.4201 -2.8052 -2.7995 -2.7884 -2.7777 -2.7563 -2.7451 -0.8847 -0.8793 0.2049 0.2610 0.9567 0.9872 1.4257 1.5020 1.5801 1.6390 1.8356 1.9003 2.1718 2.1788 2.9272 2.9446 3.1340 3.1649 3.4895 3.5379 3.9600 4.0997 4.1902 4.3043 7.5426 7.5628 7.9678 7.9726 8.6051 8.6559 9.2753 9.3195 k =-0.1071 0.1418 0.1777 ( 4767 PWs) bands (ev): -8.3886 -8.3885 -7.3844 -7.3843 -7.3354 -7.3349 -7.2132 -7.2129 -3.4538 -3.4468 -3.4261 -3.4200 -2.8017 -2.7971 -2.7885 -2.7766 -2.7575 -2.7454 -0.8954 -0.8901 0.2121 0.2678 0.9627 0.9939 1.4106 1.4861 1.5622 1.6158 1.8336 1.9071 2.1771 2.1838 2.9061 2.9336 3.1153 3.1302 3.5591 3.6019 3.9988 4.1199 4.2155 4.3180 7.4336 7.4527 7.8909 7.8949 8.5473 8.5946 9.3297 9.3761 k =-0.0982 0.1299 0.1629 ( 4771 PWs) bands (ev): -8.4034 -8.4034 -7.3715 -7.3714 -7.3296 -7.3292 -7.2121 -7.2118 -3.4513 -3.4456 -3.4261 -3.4201 -2.7984 -2.7950 -2.7884 -2.7753 -2.7586 -2.7458 -0.9051 -0.8999 0.2201 0.2749 0.9712 1.0034 1.3960 1.4716 1.5461 1.5931 1.8242 1.9050 2.1827 2.1912 2.8891 2.9243 3.0923 3.0963 3.6304 3.6712 4.0378 4.1389 4.2427 4.3319 7.3248 7.3427 7.8192 7.8229 8.4882 8.5316 9.3850 9.4341 k =-0.0893 0.1181 0.1481 ( 4763 PWs) bands (ev): -8.4171 -8.4171 -7.3596 -7.3594 -7.3242 -7.3239 -7.2111 -7.2109 -3.4490 -3.4444 -3.4262 -3.4204 -2.7955 -2.7933 -2.7880 -2.7739 -2.7599 -2.7462 -0.9137 -0.9087 0.2288 0.2820 0.9821 1.0156 1.3821 1.4588 1.5320 1.5711 1.8080 1.8941 2.1890 2.1989 2.8767 2.9171 3.0647 3.0683 3.7005 3.7410 4.0774 4.1587 4.2699 4.3456 7.2175 7.2341 7.7532 7.7569 8.4294 8.4688 9.4403 9.4922 k =-0.0803 0.1063 0.1333 ( 4773 PWs) bands (ev): -8.4296 -8.4296 -7.3485 -7.3484 -7.3193 -7.3190 -7.2103 -7.2101 -3.4468 -3.4433 -3.4262 -3.4208 -2.7929 -2.7921 -2.7874 -2.7723 -2.7610 -2.7468 -0.9214 -0.9166 0.2380 0.2890 0.9952 1.0303 1.3690 1.4479 1.5198 1.5498 1.7859 1.8756 2.1955 2.2061 2.8687 2.9122 3.0362 3.0453 3.7668 3.8079 4.1183 4.1808 4.2963 4.3590 7.1129 7.1281 7.6931 7.6970 8.3725 8.4078 9.4948 9.5493 k =-0.0714 0.0945 0.1185 ( 4761 PWs) bands (ev): -8.4409 -8.4408 -7.3384 -7.3382 -7.3149 -7.3146 -7.2097 -7.2095 -3.4448 -3.4422 -3.4263 -3.4213 -2.7913 -2.7906 -2.7867 -2.7707 -2.7621 -2.7474 -0.9281 -0.9235 0.2475 0.2955 1.0102 1.0472 1.3571 1.4393 1.5097 1.5295 1.7592 1.8511 2.2014 2.2122 2.8645 2.9091 3.0117 3.0247 3.8271 3.8687 4.1608 4.2065 4.3213 4.3718 7.0122 7.0261 7.6391 7.6432 8.3187 8.3500 9.5477 9.6043 k =-0.0625 0.0827 0.1036 ( 4769 PWs) bands (ev): -8.4508 -8.4508 -7.3293 -7.3291 -7.3110 -7.3108 -7.2093 -7.2090 -3.4430 -3.4411 -3.4263 -3.4220 -2.7907 -2.7887 -2.7858 -2.7694 -2.7628 -2.7481 -0.9338 -0.9296 0.2570 0.3014 1.0269 1.0657 1.3465 1.4330 1.5012 1.5104 1.7290 1.8219 2.2062 2.2168 2.8634 2.9068 2.9918 3.0072 3.8798 3.9209 4.2049 4.2366 4.3446 4.3841 6.9170 6.9294 7.5915 7.5956 8.2691 8.2964 9.5983 9.6558 k =-0.0536 0.0709 0.0888 ( 4761 PWs) bands (ev): -8.4595 -8.4595 -7.3213 -7.3211 -7.3076 -7.3074 -7.2090 -7.2087 -3.4414 -3.4401 -3.4264 -3.4227 -2.7901 -2.7874 -2.7848 -2.7689 -2.7626 -2.7488 -0.9386 -0.9349 0.2665 0.3064 1.0447 1.0852 1.3378 1.4291 1.4889 1.4981 1.6969 1.7897 2.2098 2.2199 2.8642 2.9041 2.9770 2.9934 3.9240 3.9627 4.2496 4.2708 4.3664 4.3957 6.8288 6.8396 7.5502 7.5542 8.2246 8.2480 9.6459 9.7024 k =-0.0446 0.0591 0.0740 ( 4769 PWs) bands (ev): -8.4669 -8.4669 -7.3144 -7.3142 -7.3047 -7.3045 -7.2087 -7.2085 -3.4400 -3.4391 -3.4265 -3.4235 -2.7895 -2.7867 -2.7834 -2.7695 -2.7615 -2.7495 -0.9426 -0.9394 0.2756 0.3104 1.0632 1.1045 1.3317 1.4277 1.4712 1.4937 1.6649 1.7560 2.2123 2.2216 2.8659 2.9002 2.9678 2.9833 3.9598 3.9940 4.2924 4.3068 4.3873 4.4072 6.7493 6.7585 7.5155 7.5191 8.1860 8.2055 9.6899 9.7425 k =-0.0357 0.0473 0.0592 ( 4765 PWs) bands (ev): -8.4730 -8.4730 -7.3086 -7.3084 -7.3023 -7.3021 -7.2086 -7.2084 -3.4389 -3.4381 -3.4266 -3.4243 -2.7890 -2.7864 -2.7819 -2.7705 -2.7600 -2.7503 -0.9457 -0.9431 0.2842 0.3130 1.0817 1.1220 1.3292 1.4281 1.4537 1.4912 1.6356 1.7220 2.2139 2.2221 2.8677 2.8950 2.9632 2.9766 3.9878 4.0161 4.3296 4.3406 4.4080 4.4194 6.6805 6.6880 7.4872 7.4904 8.1539 8.1695 9.7296 9.7748 k =-0.0268 0.0354 0.0444 ( 4765 PWs) bands (ev): -8.4778 -8.4777 -7.3040 -7.3039 -7.3004 -7.3003 -7.2086 -7.2084 -3.4380 -3.4373 -3.4267 -3.4250 -2.7884 -2.7863 -2.7804 -2.7718 -2.7584 -2.7511 -0.9481 -0.9460 0.2921 0.3143 1.0995 1.1355 1.3317 1.4261 1.4409 1.4883 1.6124 1.6892 2.2151 2.2217 2.8695 2.8893 2.9621 2.9725 4.0091 4.0306 4.3577 4.3673 4.4289 4.4335 6.6244 6.6301 7.4653 7.4678 8.1288 8.1405 9.7642 9.7980 k =-0.0179 0.0236 0.0296 ( 4765 PWs) bands (ev): -8.4811 -8.4811 -7.3007 -7.3006 -7.2991 -7.2990 -7.2085 -7.2084 -3.4372 -3.4367 -3.4267 -3.4256 -2.7879 -2.7864 -2.7789 -2.7732 -2.7569 -2.7521 -0.9496 -0.9482 0.2990 0.3141 1.1158 1.1434 1.3401 1.4114 1.4426 1.4825 1.5998 1.6589 2.2161 2.2207 2.8712 2.8840 2.9629 2.9700 4.0246 4.0389 4.3761 4.3836 4.4479 4.4491 6.5828 6.5867 7.4499 7.4516 8.1112 8.1190 9.7930 9.8125 k =-0.0089 0.0118 0.0148 ( 4779 PWs) bands (ev): -8.4832 -8.4832 -7.2988 -7.2988 -7.2981 -7.2981 -7.2085 -7.2084 -3.4367 -3.4364 -3.4266 -3.4261 -2.7874 -2.7867 -2.7775 -2.7746 -2.7555 -2.7531 -0.9504 -0.9497 0.3047 0.3124 1.1295 1.1445 1.3542 1.3921 1.4506 1.4728 1.6002 1.6326 2.2171 2.2195 2.8732 2.8795 2.9645 2.9681 4.0350 4.0422 4.3869 4.3909 4.4612 4.4615 6.5575 6.5594 7.4408 7.4417 8.1013 8.1052 9.8145 9.8203 k = 0.0000 0.0000 0.0000 ( 4787 PWs) bands (ev): -8.4839 -8.4839 -7.2983 -7.2983 -7.2977 -7.2977 -7.2085 -7.2085 -3.4364 -3.4364 -3.4265 -3.4265 -2.7870 -2.7870 -2.7760 -2.7760 -2.7542 -2.7542 -0.9504 -0.9504 0.3093 0.3093 1.1395 1.1395 1.3724 1.3724 1.4612 1.4612 1.6122 1.6122 2.2182 2.2182 2.8759 2.8759 2.9663 2.9663 4.0408 4.0408 4.3916 4.3916 4.4661 4.4661 6.5496 6.5496 7.4381 7.4381 8.0993 8.0993 9.8229 9.8269 k = 0.0000 0.0000 0.0000 ( 4787 PWs) bands (ev): -8.4839 -8.4839 -7.2983 -7.2983 -7.2977 -7.2977 -7.2085 -7.2085 -3.4364 -3.4364 -3.4265 -3.4265 -2.7870 -2.7870 -2.7760 -2.7760 -2.7542 -2.7542 -0.9504 -0.9504 0.3093 0.3093 1.1395 1.1395 1.3724 1.3724 1.4612 1.4612 1.6122 1.6122 2.2182 2.2182 2.8759 2.8759 2.9663 2.9663 4.0408 4.0408 4.3916 4.3916 4.4661 4.4661 6.5496 6.5496 7.4381 7.4381 8.0993 8.0993 9.8228 9.8265 k = 0.0167 0.0126-0.0000 ( 4787 PWs) bands (ev): -8.4832 -8.4832 -7.2983 -7.2983 -7.2978 -7.2978 -7.2095 -7.2095 -3.4367 -3.4367 -3.4264 -3.4264 -2.7878 -2.7878 -2.7755 -2.7755 -2.7543 -2.7543 -0.9490 -0.9490 0.3053 0.3053 1.1443 1.1443 1.3733 1.3733 1.4624 1.4624 1.6103 1.6103 2.2217 2.2217 2.8770 2.8770 2.9674 2.9674 4.0377 4.0377 4.3877 4.3877 4.4641 4.4641 6.5545 6.5545 7.4421 7.4421 8.1000 8.1000 9.8072 9.8098 k = 0.0333 0.0252 0.0000 ( 4764 PWs) bands (ev): -8.4810 -8.4810 -7.2984 -7.2984 -7.2979 -7.2979 -7.2126 -7.2126 -3.4376 -3.4376 -3.4262 -3.4262 -2.7899 -2.7899 -2.7743 -2.7743 -2.7544 -2.7544 -0.9449 -0.9449 0.2938 0.2938 1.1583 1.1583 1.3759 1.3759 1.4660 1.4660 1.6049 1.6049 2.2322 2.2322 2.8802 2.8802 2.9706 2.9706 4.0285 4.0285 4.3761 4.3761 4.4583 4.4583 6.5693 6.5693 7.4539 7.4539 8.1023 8.1023 9.7614 9.7631 k = 0.0500 0.0378 0.0000 ( 4756 PWs) bands (ev): -8.4775 -8.4775 -7.2985 -7.2985 -7.2980 -7.2980 -7.2178 -7.2178 -3.4389 -3.4389 -3.4259 -3.4259 -2.7927 -2.7927 -2.7729 -2.7729 -2.7547 -2.7547 -0.9382 -0.9382 0.2755 0.2755 1.1804 1.1804 1.3803 1.3803 1.4719 1.4719 1.5968 1.5968 2.2490 2.2490 2.8855 2.8855 2.9759 2.9759 4.0130 4.0130 4.3575 4.3575 4.4487 4.4487 6.5932 6.5932 7.4736 7.4736 8.1062 8.1062 9.6939 9.6940 k = 0.0667 0.0504 0.0000 ( 4756 PWs) bands (ev): -8.4726 -8.4726 -7.2987 -7.2987 -7.2982 -7.2982 -7.2251 -7.2251 -3.4406 -3.4406 -3.4258 -3.4258 -2.7959 -2.7959 -2.7716 -2.7716 -2.7550 -2.7550 -0.9288 -0.9288 0.2518 0.2518 1.2088 1.2088 1.3867 1.3867 1.4801 1.4801 1.5870 1.5870 2.2714 2.2714 2.8928 2.8928 2.9833 2.9833 3.9913 3.9913 4.3328 4.3328 4.4354 4.4355 6.6257 6.6257 7.5007 7.5007 8.1114 8.1114 9.6100 9.6101 k = 0.0833 0.0630 0.0000 ( 4752 PWs) bands (ev): -8.4663 -8.4663 -7.2990 -7.2990 -7.2984 -7.2984 -7.2343 -7.2343 -3.4426 -3.4426 -3.4257 -3.4257 -2.7993 -2.7993 -2.7707 -2.7707 -2.7554 -2.7554 -0.9170 -0.9170 0.2238 0.2238 1.2408 1.2408 1.3954 1.3954 1.4905 1.4905 1.5772 1.5772 2.2985 2.2985 2.9021 2.9021 2.9926 2.9926 3.9632 3.9632 4.3033 4.3033 4.4186 4.4186 6.6658 6.6658 7.5348 7.5348 8.1182 8.1182 9.5142 9.5142 k = 0.1000 0.0756 0.0000 ( 4752 PWs) bands (ev): -8.4586 -8.4586 -7.2993 -7.2993 -7.2987 -7.2987 -7.2455 -7.2455 -3.4447 -3.4447 -3.4258 -3.4258 -2.8030 -2.8030 -2.7700 -2.7700 -2.7559 -2.7559 -0.9028 -0.9028 0.1929 0.1929 1.2731 1.2731 1.4074 1.4074 1.5030 1.5030 1.5692 1.5692 2.3296 2.3296 2.9133 2.9133 3.0039 3.0039 3.9291 3.9291 4.2701 4.2701 4.3985 4.3985 6.7127 6.7127 7.5754 7.5754 8.1263 8.1263 9.4098 9.4098 k = 0.1167 0.0882 0.0000 ( 4760 PWs) bands (ev): -8.4496 -8.4496 -7.2996 -7.2996 -7.2991 -7.2991 -7.2585 -7.2585 -3.4470 -3.4470 -3.4261 -3.4261 -2.8067 -2.8067 -2.7698 -2.7698 -2.7564 -2.7564 -0.8866 -0.8866 0.1602 0.1602 1.3009 1.3009 1.4250 1.4250 1.5167 1.5167 1.5659 1.5659 2.3639 2.3639 2.9264 2.9264 3.0170 3.0170 3.8891 3.8891 4.2343 4.2343 4.3752 4.3752 6.7653 6.7653 7.6217 7.6217 8.1357 8.1357 9.2991 9.2991 k = 0.1333 0.1008 0.0000 ( 4772 PWs) bands (ev): -8.4392 -8.4392 -7.3000 -7.3000 -7.2995 -7.2995 -7.2734 -7.2734 -3.4495 -3.4495 -3.4266 -3.4266 -2.8104 -2.8104 -2.7698 -2.7698 -2.7569 -2.7569 -0.8684 -0.8684 0.1264 0.1264 1.3193 1.3193 1.4501 1.4501 1.5299 1.5299 1.5715 1.5715 2.4007 2.4007 2.9411 2.9411 3.0317 3.0317 3.8437 3.8437 4.1969 4.1969 4.3490 4.3490 6.8229 6.8229 7.6727 7.6727 8.1465 8.1465 9.1842 9.1842 k = 0.1500 0.1134 0.0000 ( 4760 PWs) bands (ev): -8.4275 -8.4275 -7.3004 -7.3004 -7.3000 -7.3000 -7.2900 -7.2900 -3.4520 -3.4520 -3.4272 -3.4272 -2.8142 -2.8142 -2.7703 -2.7703 -2.7575 -2.7575 -0.8485 -0.8485 0.0924 0.0924 1.3270 1.3270 1.4809 1.4809 1.5414 1.5414 1.5895 1.5895 2.4395 2.4395 2.9574 2.9574 3.0480 3.0480 3.7937 3.7937 4.1585 4.1585 4.3202 4.3203 6.8847 6.8847 7.7270 7.7270 8.1588 8.1588 9.0666 9.0666 k = 0.1667 0.1260-0.0000 ( 4764 PWs) bands (ev): -8.4145 -8.4145 -7.3087 -7.3087 -7.3008 -7.3008 -7.3002 -7.3002 -3.4546 -3.4546 -3.4280 -3.4280 -2.8179 -2.8179 -2.7710 -2.7710 -2.7582 -2.7582 -0.8273 -0.8273 0.0589 0.0589 1.3261 1.3261 1.5127 1.5127 1.5539 1.5539 1.6193 1.6193 2.4797 2.4797 2.9751 2.9751 3.0656 3.0656 3.7400 3.7400 4.1197 4.1197 4.2892 4.2892 6.9503 6.9503 7.7830 7.7830 8.1726 8.1726 8.9477 8.9477 k = 0.1833 0.1386 0.0000 ( 4764 PWs) bands (ev): -8.4002 -8.4002 -7.3285 -7.3285 -7.3013 -7.3013 -7.3008 -7.3008 -3.4572 -3.4572 -3.4290 -3.4290 -2.8216 -2.8216 -2.7719 -2.7719 -2.7590 -2.7590 -0.8050 -0.8050 0.0262 0.0262 1.3196 1.3196 1.5413 1.5413 1.5706 1.5706 1.6584 1.6584 2.5209 2.5209 2.9940 2.9940 3.0842 3.0842 3.6835 3.6835 4.0807 4.0807 4.2563 4.2563 7.0189 7.0189 7.8382 7.8382 8.1886 8.1886 8.8284 8.8284 k = 0.2000 0.1511 0.0000 ( 4764 PWs) bands (ev): -8.3847 -8.3847 -7.3499 -7.3499 -7.3019 -7.3019 -7.3013 -7.3013 -3.4597 -3.4597 -3.4301 -3.4301 -2.8251 -2.8251 -2.7730 -2.7730 -2.7599 -2.7599 -0.7820 -0.7820 -0.0051 -0.0051 1.3097 1.3097 1.5659 1.5659 1.5921 1.5921 1.7040 1.7040 2.5627 2.5627 3.0138 3.0138 3.1036 3.1036 3.6253 3.6253 4.0418 4.0418 4.2217 4.2217 7.0902 7.0902 7.8898 7.8898 8.2074 8.2074 8.7099 8.7099 k = 0.2167 0.1637 0.0000 ( 4768 PWs) bands (ev): -8.3680 -8.3680 -7.3728 -7.3728 -7.3024 -7.3024 -7.3019 -7.3019 -3.4623 -3.4623 -3.4314 -3.4314 -2.8285 -2.8285 -2.7743 -2.7743 -2.7609 -2.7609 -0.7586 -0.7586 -0.0347 -0.0347 1.2980 1.2980 1.5887 1.5887 1.6168 1.6168 1.7534 1.7534 2.6048 2.6048 3.0343 3.0343 3.1233 3.1233 3.5666 3.5666 4.0033 4.0033 4.1860 4.1860 7.1638 7.1638 7.9340 7.9340 8.2301 8.2301 8.5929 8.5929 k = 0.2333 0.1763-0.0000 ( 4776 PWs) bands (ev): -8.3501 -8.3501 -7.3969 -7.3969 -7.3029 -7.3029 -7.3024 -7.3024 -3.4647 -3.4647 -3.4328 -3.4328 -2.8318 -2.8318 -2.7756 -2.7756 -2.7621 -2.7621 -0.7353 -0.7353 -0.0622 -0.0622 1.2856 1.2856 1.6116 1.6116 1.6429 1.6429 1.8043 1.8043 2.6468 2.6468 3.0552 3.0552 3.1429 3.1429 3.5085 3.5085 3.9654 3.9654 4.1496 4.1496 7.2391 7.2391 7.9673 7.9673 8.2566 8.2566 8.4785 8.4785 k = 0.2500 0.1889 0.0000 ( 4760 PWs) bands (ev): -8.3311 -8.3311 -7.4222 -7.4222 -7.3035 -7.3035 -7.3030 -7.3030 -3.4671 -3.4671 -3.4342 -3.4342 -2.8349 -2.8349 -2.7770 -2.7770 -2.7634 -2.7634 -0.7124 -0.7124 -0.0873 -0.0873 1.2733 1.2733 1.6353 1.6354 1.6697 1.6697 1.8552 1.8552 2.6884 2.6884 3.0761 3.0761 3.1614 3.1614 3.4525 3.4525 3.9286 3.9286 4.1128 4.1128 7.3155 7.3155 7.9873 7.9873 8.2829 8.2829 8.3684 8.3684 k = 0.2667 0.2015 0.0000 ( 4752 PWs) bands (ev): -8.3110 -8.3110 -7.4485 -7.4485 -7.3040 -7.3040 -7.3035 -7.3035 -3.4694 -3.4694 -3.4357 -3.4357 -2.8378 -2.8378 -2.7784 -2.7784 -2.7648 -2.7648 -0.6905 -0.6905 -0.1097 -0.1097 1.2616 1.2616 1.6601 1.6601 1.6969 1.6969 1.9048 1.9048 2.7292 2.7292 3.0967 3.0967 3.1776 3.1776 3.4003 3.4003 3.8933 3.8933 4.0761 4.0761 7.3921 7.3921 7.9937 7.9937 8.2516 8.2516 8.2762 8.2762 k = 0.2833 0.2141-0.0000 ( 4744 PWs) bands (ev): -8.2899 -8.2899 -7.4758 -7.4758 -7.3046 -7.3046 -7.3041 -7.3041 -3.4715 -3.4715 -3.4373 -3.4373 -2.8405 -2.8405 -2.7798 -2.7798 -2.7663 -2.7663 -0.6700 -0.6700 -0.1292 -0.1292 1.2508 1.2508 1.6855 1.6855 1.7243 1.7243 1.9523 1.9523 2.7691 2.7691 3.1163 3.1163 3.1893 3.1893 3.3545 3.3545 3.8600 3.8600 4.0401 4.0401 7.4675 7.4675 7.9885 7.9885 8.1512 8.1512 8.1776 8.1776 k = 0.3000 0.2267 0.0000 ( 4744 PWs) bands (ev): -8.2679 -8.2679 -7.5038 -7.5038 -7.3051 -7.3051 -7.3046 -7.3046 -3.4736 -3.4736 -3.4389 -3.4389 -2.8430 -2.8430 -2.7811 -2.7811 -2.7679 -2.7679 -0.6513 -0.6513 -0.1455 -0.1455 1.2411 1.2411 1.7113 1.7113 1.7517 1.7517 1.9967 1.9967 2.8076 2.8076 3.1340 3.1340 3.1928 3.1928 3.3198 3.3198 3.8293 3.8293 4.0051 4.0051 7.5391 7.5391 7.9750 7.9750 8.0530 8.0530 8.0803 8.0803 k = 0.3167 0.2393-0.0000 ( 4736 PWs) bands (ev): -8.2450 -8.2450 -7.5325 -7.5325 -7.3056 -7.3056 -7.3051 -7.3051 -3.4754 -3.4754 -3.4404 -3.4404 -2.8453 -2.8453 -2.7823 -2.7823 -2.7696 -2.7696 -0.6348 -0.6348 -0.1585 -0.1585 1.2327 1.2327 1.7373 1.7373 1.7787 1.7787 2.0374 2.0374 2.8446 2.8446 3.1467 3.1467 3.1861 3.1861 3.3008 3.3008 3.8020 3.8020 3.9717 3.9717 7.6020 7.6020 7.9490 7.9490 7.9681 7.9681 7.9914 7.9914 k = 0.3333 0.2519 0.0000 ( 4736 PWs) bands (ev): -8.2213 -8.2213 -7.5617 -7.5617 -7.3061 -7.3061 -7.3056 -7.3056 -3.4772 -3.4772 -3.4420 -3.4420 -2.8473 -2.8473 -2.7834 -2.7834 -2.7713 -2.7713 -0.6208 -0.6208 -0.1682 -0.1682 1.2257 1.2257 1.7630 1.7630 1.8051 1.8051 2.0736 2.0736 2.8795 2.8795 3.1424 3.1424 3.1833 3.1833 3.2951 3.2951 3.7787 3.7787 3.9404 3.9404 7.6472 7.6472 7.8683 7.8683 7.8967 7.8967 7.9656 7.9656 k = 0.3500 0.2645 0.0000 ( 4720 PWs) bands (ev): -8.1970 -8.1970 -7.5912 -7.5912 -7.3065 -7.3065 -7.3060 -7.3060 -3.4787 -3.4787 -3.4435 -3.4435 -2.8492 -2.8492 -2.7844 -2.7844 -2.7730 -2.7730 -0.6093 -0.6093 -0.1748 -0.1748 1.2201 1.2201 1.7880 1.7880 1.8306 1.8306 2.1050 2.1050 2.9123 2.9123 3.1208 3.1208 3.1920 3.1920 3.2949 3.2949 3.7600 3.7600 3.9115 3.9115 7.6652 7.6652 7.7872 7.7872 7.8166 7.8166 7.9837 7.9837 k = 0.3667 0.2771 0.0000 ( 4720 PWs) bands (ev): -8.1722 -8.1722 -7.6208 -7.6208 -7.3070 -7.3070 -7.3065 -7.3065 -3.4801 -3.4801 -3.4449 -3.4449 -2.8509 -2.8509 -2.7853 -2.7853 -2.7747 -2.7747 -0.6003 -0.6003 -0.1785 -0.1785 1.2157 1.2157 1.8119 1.8119 1.8548 1.8548 2.1312 2.1312 2.9426 2.9426 3.0972 3.0972 3.2021 3.2021 3.2950 3.2950 3.7463 3.7463 3.8853 3.8853 7.6558 7.6558 7.7131 7.7131 7.7428 7.7428 8.0259 8.0259 k = 0.3833 0.2897 0.0000 ( 4720 PWs) bands (ev): -8.1472 -8.1472 -7.6502 -7.6502 -7.3073 -7.3073 -7.3069 -7.3069 -3.4813 -3.4813 -3.4462 -3.4462 -2.8523 -2.8523 -2.7860 -2.7860 -2.7763 -2.7763 -0.5937 -0.5937 -0.1798 -0.1798 1.2126 1.2126 1.8344 1.8344 1.8774 1.8774 2.1523 2.1523 2.9699 2.9699 3.0765 3.0765 3.2109 3.2109 3.2932 3.2932 3.7376 3.7376 3.8621 3.8621 7.6272 7.6272 7.6487 7.6487 7.6767 7.6767 8.0797 8.0797 k = 0.4000 0.3023 0.0000 ( 4724 PWs) bands (ev): -8.1221 -8.1221 -7.6791 -7.6791 -7.3077 -7.3077 -7.3072 -7.3072 -3.4824 -3.4824 -3.4473 -3.4473 -2.8536 -2.8536 -2.7865 -2.7865 -2.7779 -2.7779 -0.5891 -0.5891 -0.1792 -0.1792 1.2105 1.2105 1.8548 1.8548 1.8979 1.8979 2.1685 2.1685 2.9940 2.9940 3.0602 3.0602 3.2177 3.2177 3.2892 3.2892 3.7336 3.7336 3.8419 3.8419 7.5802 7.5802 7.6021 7.6021 7.6205 7.6205 8.1291 8.1291 k = 0.4167 0.3149 0.0000 ( 4728 PWs) bands (ev): -8.0975 -8.0975 -7.7071 -7.7071 -7.3080 -7.3080 -7.3075 -7.3075 -3.4833 -3.4833 -3.4484 -3.4484 -2.8546 -2.8546 -2.7869 -2.7869 -2.7794 -2.7794 -0.5861 -0.5861 -0.1774 -0.1774 1.2093 1.2093 1.8728 1.8728 1.9161 1.9161 2.1804 2.1804 3.0138 3.0138 3.0490 3.0490 3.2228 3.2228 3.2831 3.2831 3.7334 3.7335 3.8245 3.8245 7.5305 7.5305 7.5596 7.5596 7.5787 7.5787 8.1576 8.1576 k = 0.4333 0.3275 0.0000 ( 4724 PWs) bands (ev): -8.0739 -8.0739 -7.7334 -7.7334 -7.3082 -7.3082 -7.3077 -7.3077 -3.4840 -3.4840 -3.4492 -3.4492 -2.8555 -2.8555 -2.7871 -2.7871 -2.7808 -2.7808 -0.5843 -0.5843 -0.1750 -0.1750 1.2087 1.2087 1.8879 1.8879 1.9315 1.9315 2.1887 2.1887 3.0257 3.0257 3.0461 3.0461 3.2264 3.2264 3.2759 3.2759 3.7364 3.7364 3.8096 3.8096 7.4883 7.4883 7.5192 7.5192 7.5476 7.5476 8.1641 8.1641 k = 0.4500 0.3401 0.0000 ( 4708 PWs) bands (ev): -8.0524 -8.0524 -7.7571 -7.7571 -7.3084 -7.3084 -7.3079 -7.3079 -3.4846 -3.4846 -3.4499 -3.4499 -2.8561 -2.8561 -2.7871 -2.7871 -2.7820 -2.7820 -0.5833 -0.5833 -0.1725 -0.1725 1.2085 1.2085 1.8999 1.8999 1.9440 1.9440 2.1942 2.1942 3.0264 3.0264 3.0537 3.0537 3.2292 3.2292 3.2684 3.2684 3.7414 3.7414 3.7970 3.7970 7.4549 7.4549 7.4865 7.4865 7.5230 7.5230 8.1609 8.1609 k = 0.4667 0.3527 0.0000 ( 4696 PWs) bands (ev): -8.0345 -8.0345 -7.7766 -7.7766 -7.3086 -7.3086 -7.3081 -7.3081 -3.4850 -3.4850 -3.4504 -3.4504 -2.8566 -2.8566 -2.7870 -2.7870 -2.7830 -2.7830 -0.5828 -0.5828 -0.1704 -0.1704 1.2086 1.2086 1.9086 1.9086 1.9531 1.9531 2.1976 2.1976 3.0244 3.0244 3.0624 3.0624 3.2314 3.2314 3.2615 3.2615 3.7478 3.7478 3.7861 3.7861 7.4308 7.4308 7.4627 7.4627 7.5050 7.5050 8.1558 8.1558 k = 0.4833 0.3653 0.0000 ( 4696 PWs) bands (ev): -8.0222 -8.0222 -7.7899 -7.7899 -7.3087 -7.3087 -7.3082 -7.3082 -3.4852 -3.4852 -3.4508 -3.4508 -2.8569 -2.8569 -2.7868 -2.7868 -2.7838 -2.7838 -0.5827 -0.5827 -0.1690 -0.1690 1.2087 1.2087 1.9139 1.9139 1.9587 1.9587 2.1994 2.1994 3.0230 3.0230 3.0682 3.0682 3.2333 3.2333 3.2564 3.2564 3.7546 3.7546 3.7771 3.7771 7.4162 7.4162 7.4483 7.4483 7.4939 7.4939 8.1519 8.1519 k = 0.5000 0.3779 0.0000 ( 4672 PWs) bands (ev): -8.0177 -8.0177 -7.7947 -7.7947 -7.3087 -7.3087 -7.3082 -7.3082 -3.4853 -3.4853 -3.4509 -3.4509 -2.8570 -2.8570 -2.7867 -2.7867 -2.7841 -2.7841 -0.5826 -0.5826 -0.1685 -0.1685 1.2087 1.2087 1.9156 1.9156 1.9606 1.9606 2.1999 2.1999 3.0226 3.0226 3.0701 3.0701 3.2341 3.2341 3.2544 3.2544 3.7586 3.7586 3.7724 3.7724 7.4113 7.4113 7.4435 7.4435 7.4902 7.4902 8.1505 8.1505 k = 0.5000 0.3779 0.0000 ( 4672 PWs) bands (ev): -8.0177 -8.0177 -7.7947 -7.7947 -7.3087 -7.3087 -7.3082 -7.3082 -3.4853 -3.4853 -3.4509 -3.4509 -2.8570 -2.8570 -2.7867 -2.7867 -2.7841 -2.7841 -0.5826 -0.5826 -0.1685 -0.1685 1.2087 1.2087 1.9156 1.9156 1.9606 1.9606 2.1999 2.1999 3.0226 3.0226 3.0701 3.0701 3.2341 3.2341 3.2544 3.2544 3.7586 3.7586 3.7724 3.7724 7.4113 7.4113 7.4435 7.4435 7.4902 7.4902 8.1505 8.1505 k = 0.4911 0.3897 0.0148 ( 4696 PWs) bands (ev): -8.0173 -8.0173 -7.7945 -7.7944 -7.3094 -7.3093 -7.3083 -7.3082 -3.4861 -3.4844 -3.4527 -3.4492 -2.8593 -2.8545 -2.7887 -2.7872 -2.7846 -2.7813 -0.5825 -0.5790 -0.1683 -0.1678 1.2020 1.2076 1.9090 1.9229 1.9580 1.9638 2.1956 2.2039 2.9978 3.0310 3.0657 3.0727 3.2297 3.2359 3.2437 3.2808 3.7548 3.7613 3.7708 3.7745 7.4113 7.4150 7.4451 7.4458 7.4920 7.4953 8.1531 8.1577 k = 0.4821 0.4015 0.0296 ( 4692 PWs) bands (ev): -8.0159 -8.0159 -7.7939 -7.7938 -7.3118 -7.3117 -7.3081 -7.3080 -3.4867 -3.4834 -3.4548 -3.4477 -2.8617 -2.8520 -2.7917 -2.7893 -2.7829 -2.7786 -0.5787 -0.5718 -0.1670 -0.1661 1.1878 1.1988 1.9027 1.9291 1.9565 1.9691 2.1912 2.2075 2.9629 3.0201 3.0577 3.0745 3.2231 3.2325 3.2575 3.3135 3.7485 3.7585 3.7728 3.7802 7.4144 7.4222 7.4509 7.4531 7.5008 7.5072 8.1654 8.1744 k = 0.4732 0.4133 0.0444 ( 4706 PWs) bands (ev): -8.0137 -8.0137 -7.7930 -7.7928 -7.3159 -7.3157 -7.3076 -7.3075 -3.4873 -3.4824 -3.4570 -3.4463 -2.8639 -2.8494 -2.7952 -2.7910 -2.7813 -2.7762 -0.5715 -0.5610 -0.1647 -0.1634 1.1670 1.1827 1.8947 1.9312 1.9570 1.9795 2.1868 2.2106 2.9227 2.9936 3.0476 3.0747 3.2162 3.2311 3.2818 3.3490 3.7377 3.7493 3.7798 3.7910 7.4194 7.4313 7.4627 7.4668 7.5164 7.5258 8.1870 8.2000 k = 0.4643 0.4251 0.0592 ( 4714 PWs) bands (ev): -8.0106 -8.0105 -7.7917 -7.7914 -7.3216 -7.3214 -7.3069 -7.3067 -3.4878 -3.4814 -3.4594 -3.4451 -2.8661 -2.8468 -2.7989 -2.7926 -2.7797 -2.7741 -0.5611 -0.5470 -0.1612 -0.1595 1.1405 1.1604 1.8837 1.9277 1.9604 1.9950 2.1824 2.2130 2.8794 2.9574 3.0366 3.0734 3.2084 3.2288 3.3125 3.3854 3.7225 3.7358 3.7908 3.8060 7.4258 7.4408 7.4821 7.4877 7.5385 7.5508 8.2172 8.2338 k = 0.4553 0.4370 0.0741 ( 4712 PWs) bands (ev): -8.0066 -8.0065 -7.7900 -7.7897 -7.3288 -7.3285 -7.3061 -7.3058 -3.4881 -3.4804 -3.4619 -3.4441 -2.8682 -2.8442 -2.8026 -2.7942 -2.7780 -2.7722 -0.5479 -0.5300 -0.1563 -0.1542 1.1094 1.1328 1.8693 1.9192 1.9664 2.0138 2.1780 2.2149 2.8348 2.9163 3.0250 3.0711 3.1988 3.2244 3.3463 3.4214 3.7038 3.7189 3.8055 3.8243 7.4341 7.4510 7.5094 7.5158 7.5669 7.5819 8.2553 8.2749 k = 0.4464 0.4488 0.0889 ( 4720 PWs) bands (ev): -8.0018 -8.0017 -7.7881 -7.7877 -7.3374 -7.3370 -7.3050 -7.3047 -3.4883 -3.4793 -3.4645 -3.4432 -2.8703 -2.8416 -2.8063 -2.7957 -2.7764 -2.7707 -0.5325 -0.5105 -0.1499 -0.1472 1.0748 1.1012 1.8518 1.9068 1.9737 2.0338 2.1735 2.2162 2.7896 2.8730 3.0131 3.0684 3.1870 3.2176 3.3810 3.4560 3.6829 3.6995 3.8233 3.8454 7.4446 7.4627 7.5439 7.5507 7.6011 7.6184 8.3003 8.3221 k = 0.4375 0.4606 0.1037 ( 4708 PWs) bands (ev): -7.9961 -7.9961 -7.7859 -7.7855 -7.3472 -7.3468 -7.3038 -7.3034 -3.4883 -3.4784 -3.4672 -3.4423 -2.8723 -2.8391 -2.8097 -2.7970 -2.7749 -2.7694 -0.5155 -0.4893 -0.1416 -0.1380 1.0377 1.0665 1.8319 1.8911 1.9808 2.0538 2.1685 2.2172 2.7448 2.8293 3.0013 3.0658 3.1725 3.2082 3.4144 3.4870 3.6624 3.6791 3.8438 3.8689 7.4580 7.4767 7.5850 7.5921 7.6406 7.6600 8.3511 8.3745 k = 0.4286 0.4724 0.1185 ( 4720 PWs) bands (ev): -7.9898 -7.9897 -7.7836 -7.7831 -7.3582 -7.3578 -7.3024 -7.3020 -3.4882 -3.4776 -3.4698 -3.4415 -2.8742 -2.8369 -2.8129 -2.7982 -2.7733 -2.7684 -0.4977 -0.4672 -0.1311 -0.1261 0.9988 1.0297 1.8099 1.8727 1.9861 2.0723 2.1628 2.2181 2.7011 2.7863 2.9900 3.0638 3.1551 3.1960 3.4439 3.5094 3.6477 3.6602 3.8663 3.8942 7.4745 7.4935 7.6325 7.6396 7.6849 7.7062 8.4065 8.4308 k = 0.4196 0.4842 0.1333 ( 4720 PWs) bands (ev): -7.9826 -7.9826 -7.7812 -7.7806 -7.3702 -7.3697 -7.3008 -7.3003 -3.4880 -3.4773 -3.4719 -3.4408 -2.8760 -2.8351 -2.8154 -2.7992 -2.7719 -2.7675 -0.4801 -0.4452 -0.1176 -0.1109 0.9591 0.9918 1.7864 1.8519 1.9888 2.0880 2.1565 2.2192 2.6591 2.7451 2.9795 3.0629 3.1349 3.1811 3.4644 3.5144 3.6456 3.6504 3.8903 3.9208 7.4945 7.5134 7.6857 7.6927 7.7335 7.7564 8.4655 8.4898 k = 0.4107 0.4960 0.1481 ( 4724 PWs) bands (ev): -7.9749 -7.9748 -7.7788 -7.7782 -7.3829 -7.3824 -7.2990 -7.2985 -3.4877 -3.4782 -3.4729 -3.4400 -2.8778 -2.8339 -2.8171 -2.8000 -2.7705 -2.7668 -0.4636 -0.4245 -0.1005 -0.0919 0.9192 0.9534 1.7615 1.8292 1.9880 2.0987 2.1502 2.2205 2.6196 2.7065 2.9704 3.0634 3.1122 3.1638 3.4687 3.5002 3.6469 3.6686 3.9153 3.9483 7.5180 7.5366 7.7442 7.7507 7.7860 7.8102 8.5266 8.5503 k = 0.4018 0.5079 0.1629 ( 4726 PWs) bands (ev): -7.9666 -7.9665 -7.7765 -7.7758 -7.3962 -7.3957 -7.2971 -7.2966 -3.4873 -3.4801 -3.4728 -3.4392 -2.8794 -2.8336 -2.8177 -2.8004 -2.7692 -2.7662 -0.4492 -0.4061 -0.0792 -0.0686 0.8798 0.9153 1.7358 1.8047 1.9836 2.1011 2.1462 2.2217 2.5833 2.6712 2.9627 3.0650 3.0877 3.1443 3.4524 3.4762 3.6627 3.6987 3.9406 3.9760 7.5450 7.5633 7.8068 7.8126 7.8424 7.8676 8.5882 8.6112 k = 0.3928 0.5197 0.1777 ( 4722 PWs) bands (ev): -7.9578 -7.9578 -7.7744 -7.7737 -7.4097 -7.4092 -7.2950 -7.2945 -3.4870 -3.4824 -3.4721 -3.4384 -2.8810 -2.8342 -2.8173 -2.8005 -2.7682 -2.7655 -0.4376 -0.3913 -0.0532 -0.0409 0.8416 0.8781 1.7094 1.7789 1.9755 2.0933 2.1455 2.2224 2.5508 2.6397 2.9567 3.0562 3.0738 3.1234 3.4215 3.4480 3.6894 3.7334 3.9659 4.0037 7.5757 7.5934 7.8721 7.8764 7.9034 7.9287 8.6480 8.6711 k = 0.3839 0.5315 0.1926 ( 4730 PWs) bands (ev): -7.9488 -7.9487 -7.7726 -7.7719 -7.4232 -7.4226 -7.2928 -7.2922 -3.4871 -3.4842 -3.4714 -3.4375 -2.8824 -2.8353 -2.8165 -2.8000 -2.7676 -2.7645 -0.4293 -0.3805 -0.0225 -0.0087 0.8051 0.8425 1.6826 1.7519 1.9639 2.0778 2.1452 2.2218 2.5225 2.6121 2.9520 3.0297 3.0792 3.1016 3.3839 3.4164 3.7214 3.7697 3.9908 4.0310 7.6100 7.6269 7.9380 7.9394 7.9705 7.9942 8.7032 8.7279 k = 0.3750 0.5433 0.2074 ( 4730 PWs) bands (ev): -7.9397 -7.9396 -7.7713 -7.7706 -7.4363 -7.4357 -7.2905 -7.2899 -3.4886 -3.4844 -3.4705 -3.4366 -2.8836 -2.8365 -2.8154 -2.7990 -2.7674 -2.7634 -0.4244 -0.3741 0.0124 0.0274 0.7712 0.8090 1.6555 1.7239 1.9493 2.0577 2.1429 2.2193 2.4987 2.5881 2.9472 3.0030 3.0799 3.0883 3.3433 3.3827 3.7553 3.8060 4.0149 4.0575 7.6476 7.6639 8.0003 8.0027 8.0435 8.0644 8.7504 8.7793 k = 0.3660 0.5551 0.2222 ( 4746 PWs) bands (ev): -7.9308 -7.9307 -7.7703 -7.7696 -7.4487 -7.4481 -7.2880 -7.2874 -3.4906 -3.4840 -3.4695 -3.4356 -2.8846 -2.8376 -2.8145 -2.7974 -2.7674 -2.7622 -0.4231 -0.3719 0.0506 0.0666 0.7404 0.7784 1.6283 1.6950 1.9323 2.0344 2.1379 2.2143 2.4788 2.5667 2.9377 2.9820 3.0598 3.1001 3.3013 3.3484 3.7890 3.8411 4.0380 4.0829 7.6887 7.7041 8.0599 8.0647 8.1203 8.1388 8.7873 8.8230 k = 0.3571 0.5669 0.2370 ( 4738 PWs) bands (ev): -7.9226 -7.9225 -7.7697 -7.7690 -7.4599 -7.4594 -7.2854 -7.2847 -3.4927 -3.4833 -3.4683 -3.4346 -2.8853 -2.8386 -2.8137 -2.7953 -2.7675 -2.7610 -0.4251 -0.3738 0.0908 0.1079 0.7139 0.7515 1.6011 1.6654 1.9134 2.0093 2.1306 2.2070 2.4618 2.5467 2.9178 2.9719 3.0431 3.1144 3.2593 3.3148 3.8213 3.8742 4.0600 4.1072 7.7329 7.7475 8.1180 8.1243 8.1989 8.2158 8.8145 8.8575 k = 0.3482 0.5788 0.2518 ( 4756 PWs) bands (ev): -7.9157 -7.9155 -7.7690 -7.7684 -7.4697 -7.4692 -7.2828 -7.2820 -3.4945 -3.4826 -3.4671 -3.4336 -2.8858 -2.8394 -2.8130 -2.7928 -2.7678 -2.7598 -0.4302 -0.3794 0.1312 0.1497 0.6927 0.7293 1.5739 1.6350 1.8933 1.9831 2.1219 2.1976 2.4460 2.5269 2.8918 2.9664 3.0331 3.1302 3.2187 3.2831 3.8511 3.9044 4.0810 4.1300 7.7802 7.7939 8.1744 8.1813 8.2774 8.2934 8.8345 8.8827 k = 0.3393 0.5906 0.2666 ( 4754 PWs) bands (ev): -7.9108 -7.9105 -7.7679 -7.7673 -7.4778 -7.4773 -7.2800 -7.2792 -3.4961 -3.4818 -3.4656 -3.4326 -2.8860 -2.8399 -2.8123 -2.7901 -2.7682 -2.7586 -0.4381 -0.3883 0.1701 0.1902 0.6783 0.7132 1.5466 1.6041 1.8724 1.9570 2.1127 2.1871 2.4297 2.5059 2.8647 2.9584 3.0326 3.1430 3.1852 3.2544 3.8776 3.9307 4.1009 4.1513 7.8302 7.8431 8.2287 8.2358 8.3540 8.3698 8.8504 8.8997 k = 0.3303 0.6024 0.2814 ( 4754 PWs) bands (ev): -7.9088 -7.9084 -7.7656 -7.7651 -7.4839 -7.4835 -7.2771 -7.2764 -3.4975 -3.4811 -3.4640 -3.4316 -2.8859 -2.8402 -2.8115 -2.7872 -2.7687 -2.7575 -0.4487 -0.4002 0.2050 0.2272 0.6726 0.7047 1.5192 1.5727 1.8512 1.9318 2.1041 2.1762 2.4112 2.4828 2.8383 2.9462 3.0409 3.1280 3.1846 3.2301 3.9000 3.9523 4.1200 4.1711 7.8829 7.8949 8.2801 8.2871 8.4262 8.4431 8.8648 8.9110 k = 0.3214 0.6142 0.2962 ( 4751 PWs) bands (ev): -7.9105 -7.9101 -7.7613 -7.7608 -7.4879 -7.4876 -7.2742 -7.2734 -3.4986 -3.4803 -3.4622 -3.4306 -2.8855 -2.8402 -2.8106 -2.7842 -2.7693 -2.7564 -0.4615 -0.4147 0.2337 0.2585 0.6774 0.7054 1.4918 1.5410 1.8301 1.9080 2.0967 2.1657 2.3892 2.4570 2.8129 2.9309 3.0551 3.0981 3.2048 3.2122 3.9177 3.9685 4.1382 4.1891 7.9378 7.9490 8.3281 8.3350 8.4916 8.5118 8.8798 8.9193 k = 0.3214 0.6142 0.2962 ( 4751 PWs) bands (ev): -7.9105 -7.9101 -7.7613 -7.7608 -7.4879 -7.4876 -7.2742 -7.2734 -3.4986 -3.4803 -3.4622 -3.4306 -2.8855 -2.8402 -2.8106 -2.7842 -2.7693 -2.7564 -0.4615 -0.4147 0.2337 0.2585 0.6774 0.7054 1.4918 1.5410 1.8301 1.9080 2.0967 2.1657 2.3892 2.4570 2.8129 2.9309 3.0551 3.0981 3.2048 3.2122 3.9177 3.9685 4.1382 4.1891 7.9378 7.9490 8.3281 8.3350 8.4916 8.5118 8.8798 8.9193 k = 0.3025 0.6086 0.3032 ( 4755 PWs) bands (ev): -7.9144 -7.9140 -7.7573 -7.7568 -7.4884 -7.4881 -7.2730 -7.2722 -3.4989 -3.4801 -3.4611 -3.4301 -2.8851 -2.8402 -2.8101 -2.7827 -2.7695 -2.7559 -0.4694 -0.4238 0.2456 0.2716 0.6845 0.7103 1.4762 1.5233 1.8202 1.8968 2.0949 2.1620 2.3790 2.4443 2.8000 2.9212 3.0588 3.0916 3.2067 3.2178 3.9209 3.9688 4.1502 4.1987 7.9674 7.9783 8.3447 8.3566 8.5214 8.5449 8.8838 8.9200 k = 0.2836 0.6031 0.3102 ( 4758 PWs) bands (ev): -7.9215 -7.9211 -7.7513 -7.7508 -7.4869 -7.4867 -7.2720 -7.2712 -3.4991 -3.4799 -3.4598 -3.4295 -2.8844 -2.8402 -2.8093 -2.7812 -2.7697 -2.7554 -0.4799 -0.4361 0.2584 0.2851 0.6952 0.7186 1.4558 1.5005 1.8099 1.8840 2.0954 2.1603 2.3707 2.4324 2.7864 2.9093 3.0565 3.0961 3.2107 3.2271 3.9170 3.9597 4.1671 4.2102 8.0036 8.0140 8.3571 8.3755 8.5530 8.5803 8.8829 8.9163 k = 0.2647 0.5975 0.3171 ( 4755 PWs) bands (ev): -7.9306 -7.9302 -7.7448 -7.7444 -7.4834 -7.4832 -7.2714 -7.2706 -3.4990 -3.4800 -3.4581 -3.4290 -2.8836 -2.8404 -2.8082 -2.7796 -2.7698 -2.7548 -0.4927 -0.4511 0.2725 0.2995 0.7087 0.7298 1.4312 1.4740 1.7983 1.8685 2.0974 2.1611 2.3637 2.4223 2.7745 2.8977 3.0530 3.1046 3.2199 3.2357 3.9072 3.9444 4.1849 4.2220 8.0458 8.0560 8.3685 8.3917 8.5854 8.6159 8.8800 8.9113 k = 0.2458 0.5920 0.3241 ( 4754 PWs) bands (ev): -7.9407 -7.9403 -7.7388 -7.7384 -7.4777 -7.4776 -7.2712 -7.2704 -3.4989 -3.4802 -3.4562 -3.4284 -2.8825 -2.8407 -2.8069 -2.7781 -2.7697 -2.7543 -0.5073 -0.4684 0.2881 0.3148 0.7242 0.7431 1.4034 1.4451 1.7841 1.8493 2.1005 2.1646 2.3573 2.4159 2.7659 2.8878 3.0494 3.1136 3.2330 3.2447 3.8927 3.9253 4.2010 4.2326 8.0937 8.1037 8.3801 8.4064 8.6170 8.6500 8.8781 8.9081 k = 0.2269 0.5864 0.3311 ( 4749 PWs) bands (ev): -7.9510 -7.9507 -7.7338 -7.7334 -7.4702 -7.4701 -7.2715 -7.2706 -3.4986 -3.4805 -3.4540 -3.4278 -2.8812 -2.8412 -2.8053 -2.7767 -2.7693 -2.7537 -0.5232 -0.4873 0.3053 0.3311 0.7409 0.7577 1.3736 1.4154 1.7663 1.8255 2.1049 2.1705 2.3514 2.4141 2.7610 2.8802 3.0457 3.1218 3.2486 3.2555 3.8744 3.9037 4.2139 4.2407 8.1465 8.1564 8.3928 8.4208 8.6464 8.6809 8.8802 8.9094 k = 0.2080 0.5809 0.3380 ( 4759 PWs) bands (ev): -7.9613 -7.9610 -7.7300 -7.7297 -7.4610 -7.4609 -7.2722 -7.2714 -3.4981 -3.4810 -3.4518 -3.4273 -2.8798 -2.8419 -2.8034 -2.7756 -2.7687 -2.7532 -0.5400 -0.5071 0.3240 0.3484 0.7580 0.7733 1.3431 1.3860 1.7441 1.7972 2.1107 2.1777 2.3471 2.4168 2.7599 2.8746 3.0423 3.1282 3.2638 3.2714 3.8530 3.8803 4.2227 4.2459 8.2033 8.2132 8.4074 8.4361 8.6718 8.7067 8.8894 8.9176 k = 0.1891 0.5753 0.3450 ( 4763 PWs) bands (ev): -7.9711 -7.9708 -7.7274 -7.7271 -7.4504 -7.4503 -7.2734 -7.2726 -3.4976 -3.4815 -3.4494 -3.4268 -2.8782 -2.8428 -2.8014 -2.7750 -2.7676 -2.7527 -0.5570 -0.5274 0.3438 0.3666 0.7746 0.7893 1.3129 1.3580 1.7172 1.7649 2.1180 2.1852 2.3459 2.4230 2.7619 2.8701 3.0401 3.1327 3.2793 3.2916 3.8292 3.8555 4.2272 4.2478 8.2627 8.2724 8.4248 8.4534 8.6920 8.7258 8.9074 8.9341 k = 0.1701 0.5697 0.3520 ( 4764 PWs) bands (ev): -7.9804 -7.9801 -7.7258 -7.7255 -7.4388 -7.4387 -7.2752 -7.2744 -3.4970 -3.4821 -3.4470 -3.4264 -2.8765 -2.8438 -2.7992 -2.7747 -2.7662 -2.7523 -0.5738 -0.5474 0.3645 0.3853 0.7903 0.8052 1.2841 1.3323 1.6861 1.7299 2.1264 2.1918 2.3491 2.4317 2.7658 2.8652 3.0403 3.1357 3.2971 3.3136 3.8036 3.8295 4.2274 4.2463 8.3224 8.3306 8.4473 8.4745 8.7069 8.7387 8.9340 8.9587 k = 0.1512 0.5642 0.3589 ( 4760 PWs) bands (ev): -7.9889 -7.9886 -7.7250 -7.7248 -7.4267 -7.4265 -7.2775 -7.2768 -3.4962 -3.4828 -3.4446 -3.4261 -2.8747 -2.8450 -2.7969 -2.7747 -2.7646 -2.7520 -0.5900 -0.5668 0.3855 0.4042 0.8046 0.8207 1.2579 1.3093 1.6518 1.6933 2.1354 2.1967 2.3573 2.4421 2.7704 2.8586 3.0443 3.1382 3.3170 3.3365 3.7767 3.8025 4.2239 4.2418 8.3779 8.3819 8.4794 8.5027 8.7176 8.7472 8.9672 8.9900 k = 0.1323 0.5586 0.3659 ( 4754 PWs) bands (ev): -7.9965 -7.9963 -7.7249 -7.7247 -7.4142 -7.4140 -7.2805 -7.2798 -3.4955 -3.4835 -3.4423 -3.4259 -2.8728 -2.8464 -2.7946 -2.7748 -2.7630 -2.7517 -0.6051 -0.5850 0.4064 0.4228 0.8173 0.8349 1.2351 1.2896 1.6157 1.6562 2.1445 2.1997 2.3700 2.4535 2.7742 2.8496 3.0529 3.1414 3.3385 3.3598 3.7490 3.7746 4.2174 4.2345 8.4181 8.4244 8.5248 8.5432 8.7256 8.7535 9.0044 9.0261 k = 0.1134 0.5531 0.3729 ( 4750 PWs) bands (ev): -8.0033 -8.0031 -7.7251 -7.7250 -7.4019 -7.4016 -7.2841 -7.2834 -3.4946 -3.4842 -3.4400 -3.4258 -2.8709 -2.8478 -2.7923 -2.7752 -2.7613 -2.7516 -0.6187 -0.6017 0.4264 0.4406 0.8283 0.8474 1.2167 1.2731 1.5797 1.6196 2.1531 2.2008 2.3864 2.4655 2.7760 2.8380 3.0657 3.1459 3.3608 3.3827 3.7211 3.7463 4.2089 4.2252 8.4441 8.4561 8.5795 8.5962 8.7323 8.7591 9.0440 9.0651 k = 0.0945 0.5475 0.3798 ( 4748 PWs) bands (ev): -8.0091 -8.0090 -7.7256 -7.7255 -7.3898 -7.3895 -7.2882 -7.2875 -3.4938 -3.4850 -3.4378 -3.4259 -2.8688 -2.8494 -2.7900 -2.7757 -2.7597 -2.7516 -0.6306 -0.6165 0.4451 0.4570 0.8378 0.8574 1.2033 1.2597 1.5454 1.5844 2.1609 2.2005 2.4053 2.4773 2.7752 2.8246 3.0821 3.1518 3.3832 3.4047 3.6939 3.7180 4.1993 4.2144 8.4636 8.4779 8.6364 8.6528 8.7392 8.7655 9.0846 9.1057 k = 0.0756 0.5420 0.3868 ( 4748 PWs) bands (ev): -8.0139 -8.0138 -7.7262 -7.7261 -7.3784 -7.3780 -7.2929 -7.2922 -3.4929 -3.4858 -3.4358 -3.4262 -2.8668 -2.8511 -2.7879 -2.7764 -2.7582 -2.7517 -0.6404 -0.6293 0.4618 0.4714 0.8458 0.8647 1.1954 1.2488 1.5151 1.5516 2.1679 2.1991 2.4256 2.4880 2.7720 2.8104 3.1006 3.1585 3.4049 3.4251 3.6682 3.6904 4.1899 4.2032 8.4793 8.4932 8.6883 8.7029 8.7488 8.7747 9.1256 9.1464 k = 0.0567 0.5364 0.3937 ( 4741 PWs) bands (ev): -8.0176 -8.0176 -7.7268 -7.7267 -7.3680 -7.3676 -7.2978 -7.2972 -3.4920 -3.4866 -3.4339 -3.4267 -2.8647 -2.8528 -2.7859 -2.7772 -2.7568 -2.7519 -0.6480 -0.6397 0.4758 0.4831 0.8527 0.8690 1.1930 1.2393 1.4907 1.5224 2.1739 2.1969 2.4459 2.4961 2.7677 2.7965 3.1195 3.1646 3.4253 3.4430 3.6453 3.6645 4.1817 4.1926 8.4920 8.5039 8.7254 8.7328 8.7699 8.7914 9.1659 9.1854 k = 0.0378 0.5309 0.4007 ( 4749 PWs) bands (ev): -8.0203 -8.0203 -7.7272 -7.7272 -7.3591 -7.3588 -7.3027 -7.3022 -3.4911 -3.4875 -3.4322 -3.4274 -2.8626 -2.8547 -2.7840 -2.7782 -2.7556 -2.7523 -0.6531 -0.6476 0.4867 0.4916 0.8585 0.8705 1.1957 1.2302 1.4740 1.4979 2.1791 2.1942 2.4649 2.5004 2.7642 2.7839 3.1372 3.1682 3.4433 3.4570 3.6272 3.6418 4.1757 4.1834 8.5020 8.5106 8.7417 8.7444 8.8000 8.8142 9.2032 9.2191 k = 0.0189 0.5253 0.4077 ( 4737 PWs) bands (ev): -8.0220 -8.0219 -7.7275 -7.7275 -7.3528 -7.3525 -7.3065 -7.3062 -3.4902 -3.4884 -3.4307 -3.4283 -2.8606 -2.8566 -2.7823 -2.7794 -2.7545 -2.7529 -0.6557 -0.6530 0.4939 0.4963 0.8633 0.8697 1.2022 1.2208 1.4665 1.4794 2.1836 2.1911 2.4811 2.4996 2.7633 2.7735 3.1520 3.1678 3.4574 3.4651 3.6164 3.6245 4.1726 4.1766 8.5090 8.5135 8.7475 8.7494 8.8235 8.8308 9.2325 9.2418 k = 0.0000 0.5197 0.4146 ( 4738 PWs) bands (ev): -8.0225 -8.0225 -7.7276 -7.7276 -7.3503 -7.3503 -7.3079 -7.3079 -3.4893 -3.4893 -3.4294 -3.4294 -2.8586 -2.8586 -2.7807 -2.7807 -2.7536 -2.7536 -0.6557 -0.6557 0.4971 0.4971 0.8672 0.8672 1.2111 1.2111 1.4686 1.4686 2.1876 2.1876 2.4930 2.4930 2.7664 2.7664 3.1625 3.1625 3.4653 3.4653 3.6154 3.6154 4.1729 4.1729 8.5129 8.5129 8.7499 8.7499 8.8343 8.8343 9.2468 9.2468 k = 0.0000 0.5197 0.4146 ( 4738 PWs) bands (ev): -8.0225 -8.0225 -7.7276 -7.7276 -7.3503 -7.3503 -7.3079 -7.3079 -3.4893 -3.4893 -3.4294 -3.4294 -2.8586 -2.8586 -2.7807 -2.7807 -2.7536 -2.7536 -0.6557 -0.6557 0.4971 0.4971 0.8672 0.8672 1.2111 1.2111 1.4686 1.4686 2.1876 2.1876 2.4930 2.4930 2.7664 2.7664 3.1625 3.1625 3.4653 3.4653 3.6154 3.6154 4.1729 4.1729 8.5129 8.5129 8.7499 8.7499 8.8343 8.8343 9.2468 9.2468 k = 0.0089 0.5079 0.4295 ( 4734 PWs) bands (ev): -8.0220 -8.0220 -7.7273 -7.7273 -7.3508 -7.3507 -7.3081 -7.3081 -3.4897 -3.4886 -3.4302 -3.4285 -2.8601 -2.8568 -2.7812 -2.7802 -2.7539 -2.7533 -0.6574 -0.6556 0.4909 0.4939 0.8545 0.8664 1.2127 1.2230 1.4678 1.4761 2.1843 2.1878 2.4901 2.4969 2.7615 2.7786 3.1600 3.1685 3.4610 3.4718 3.6154 3.6175 4.1709 4.1743 8.5102 8.5122 8.7414 8.7462 8.8264 8.8338 9.2433 9.2578 k = 0.0179 0.4961 0.4443 ( 4738 PWs) bands (ev): -8.0207 -8.0207 -7.7266 -7.7265 -7.3523 -7.3521 -7.3088 -7.3087 -3.4900 -3.4879 -3.4311 -3.4275 -2.8613 -2.8549 -2.7816 -2.7798 -2.7540 -2.7528 -0.6607 -0.6571 0.4755 0.4813 0.8311 0.8524 1.2273 1.2456 1.4737 1.4902 2.1779 2.1851 2.4893 2.5015 2.7642 2.7966 3.1611 3.1780 3.4589 3.4803 3.6179 3.6218 4.1682 4.1749 8.5039 8.5080 8.7227 8.7298 8.8123 8.8240 9.2476 9.2743 k = 0.0268 0.4843 0.4591 ( 4742 PWs) bands (ev): -8.0185 -8.0185 -7.7253 -7.7253 -7.3547 -7.3545 -7.3098 -7.3098 -3.4901 -3.4869 -3.4319 -3.4266 -2.8623 -2.8527 -2.7820 -2.7793 -2.7541 -2.7524 -0.6655 -0.6601 0.4519 0.4599 0.8006 0.8279 1.2509 1.2744 1.4864 1.5109 2.1686 2.1801 2.4921 2.5078 2.7739 2.8187 3.1653 3.1906 3.4589 3.4906 3.6230 3.6284 4.1648 4.1749 8.4933 8.4994 8.6968 8.7031 8.7935 8.8061 9.2588 9.2939 k = 0.0357 0.4725 0.4739 ( 4748 PWs) bands (ev): -8.0155 -8.0154 -7.7235 -7.7235 -7.3580 -7.3577 -7.3113 -7.3112 -3.4900 -3.4858 -3.4326 -3.4257 -2.8630 -2.8504 -2.7824 -2.7789 -2.7540 -2.7518 -0.6715 -0.6645 0.4214 0.4310 0.7656 0.7961 1.2789 1.3054 1.5056 1.5378 2.1570 2.1735 2.4998 2.5172 2.7891 2.8433 3.1723 3.2058 3.4610 3.5021 3.6313 3.6374 4.1607 4.1741 8.4769 8.4852 8.6651 8.6720 8.7702 8.7833 9.2745 9.3149 k = 0.0446 0.4607 0.4887 ( 4748 PWs) bands (ev): -8.0116 -8.0115 -7.7213 -7.7212 -7.3623 -7.3619 -7.3133 -7.3131 -3.4898 -3.4846 -3.4333 -3.4247 -2.8633 -2.8479 -2.7826 -2.7785 -2.7538 -2.7513 -0.6786 -0.6700 0.3853 0.3957 0.7277 0.7595 1.3071 1.3356 1.5312 1.5705 2.1443 2.1666 2.5129 2.5309 2.8080 2.8693 3.1812 3.2233 3.4650 3.5141 3.6433 3.6490 4.1559 4.1727 8.4532 8.4642 8.6284 8.6425 8.7428 8.7590 9.2927 9.3354 k = 0.0536 0.4489 0.5035 ( 4742 PWs) bands (ev): -8.0068 -8.0067 -7.7186 -7.7185 -7.3674 -7.3669 -7.3156 -7.3155 -3.4893 -3.4833 -3.4339 -3.4239 -2.8634 -2.8453 -2.7828 -2.7782 -2.7535 -2.7507 -0.6864 -0.6764 0.3449 0.3557 0.6876 0.7197 1.3325 1.3627 1.5626 1.6082 2.1323 2.1613 2.5315 2.5495 2.8293 2.8957 3.1914 3.2423 3.4707 3.5258 3.6592 3.6637 4.1503 4.1705 8.4216 8.4355 8.5909 8.6147 8.7132 8.7352 9.3114 9.3544 k = 0.0625 0.4370 0.5183 ( 4746 PWs) bands (ev): -8.0012 -8.0010 -7.7154 -7.7153 -7.3732 -7.3728 -7.3185 -7.3182 -3.4887 -3.4819 -3.4345 -3.4230 -2.8632 -2.8425 -2.7829 -2.7780 -2.7531 -2.7502 -0.6948 -0.6835 0.3014 0.3121 0.6459 0.6775 1.3533 1.3848 1.5990 1.6497 2.1233 2.1593 2.5552 2.5732 2.8514 2.9220 3.2023 3.2624 3.4778 3.5369 3.6783 3.6822 4.1439 4.1676 8.3827 8.3991 8.5548 8.5873 8.6843 8.7125 9.3294 9.3709 k = 0.0714 0.4252 0.5331 ( 4748 PWs) bands (ev): -7.9948 -7.9946 -7.7119 -7.7118 -7.3799 -7.3793 -7.3217 -7.3215 -3.4878 -3.4804 -3.4350 -3.4223 -2.8626 -2.8397 -2.7829 -2.7779 -2.7526 -2.7497 -0.7033 -0.6909 0.2557 0.2662 0.6029 0.6336 1.3678 1.4008 1.6393 1.6941 2.1190 2.1623 2.5835 2.6018 2.8735 2.9478 3.2135 3.2832 3.4861 3.5471 3.6990 3.7058 4.1367 4.1638 8.3384 8.3565 8.5202 8.5582 8.6583 8.6912 9.3458 9.3845 k = 0.0804 0.4134 0.5479 ( 4746 PWs) bands (ev): -7.9876 -7.9874 -7.7080 -7.7079 -7.3872 -7.3866 -7.3254 -7.3251 -3.4868 -3.4788 -3.4355 -3.4216 -2.8618 -2.8369 -2.7828 -2.7777 -2.7521 -2.7492 -0.7117 -0.6983 0.2087 0.2188 0.5588 0.5885 1.3755 1.4096 1.6829 1.7406 2.1209 2.1711 2.6160 2.6351 2.8946 2.9728 3.2248 3.3041 3.4955 3.5566 3.7216 3.7332 4.1288 4.1593 8.2906 8.3098 8.4869 8.5264 8.6359 8.6709 9.3604 9.3951 k = 0.0893 0.4016 0.5627 ( 4746 PWs) bands (ev): -7.9796 -7.9794 -7.7039 -7.7037 -7.3951 -7.3945 -7.3296 -7.3292 -3.4856 -3.4771 -3.4359 -3.4210 -2.8606 -2.8339 -2.7826 -2.7777 -2.7516 -2.7487 -0.7197 -0.7054 0.1611 0.1706 0.5141 0.5427 1.3760 1.4109 1.7291 1.7888 2.1299 2.1861 2.6522 2.6725 2.9142 2.9966 3.2362 3.3251 3.5058 3.5657 3.7460 3.7628 4.1200 4.1540 8.2406 8.2607 8.4545 8.4926 8.6162 8.6511 9.3734 9.4035 k = 0.0982 0.3898 0.5775 ( 4746 PWs) bands (ev): -7.9709 -7.9707 -7.6995 -7.6993 -7.4036 -7.4029 -7.3341 -7.3337 -3.4843 -3.4753 -3.4362 -3.4205 -2.8592 -2.8310 -2.7825 -2.7776 -2.7511 -2.7483 -0.7270 -0.7119 0.1134 0.1223 0.4691 0.4966 1.3698 1.4048 1.7774 1.8384 2.1456 2.2067 2.6914 2.7136 2.9320 3.0186 3.2478 3.3459 3.5168 3.5746 3.7718 3.7935 4.1105 4.1480 8.1895 8.2106 8.4234 8.4580 8.5979 8.6309 9.3855 9.4110 k = 0.1071 0.3780 0.5923 ( 4748 PWs) bands (ev): -7.9615 -7.9613 -7.6949 -7.6947 -7.4125 -7.4118 -7.3391 -7.3386 -3.4828 -3.4735 -3.4365 -3.4202 -2.8575 -2.8281 -2.7823 -2.7775 -2.7507 -2.7479 -0.7333 -0.7176 0.0658 0.0742 0.4242 0.4506 1.3578 1.3923 1.8275 1.8892 2.1671 2.2320 2.7329 2.7577 2.9478 3.0386 3.2600 3.3666 3.5285 3.5836 3.7982 3.8244 4.1004 4.1412 8.1380 8.1602 8.3939 8.4240 8.5798 8.6100 9.3971 9.4186 k = 0.1161 0.3662 0.6072 ( 4738 PWs) bands (ev): -7.9515 -7.9512 -7.6902 -7.6901 -7.4217 -7.4211 -7.3444 -7.3439 -3.4811 -3.4717 -3.4368 -3.4200 -2.8556 -2.8251 -2.7821 -2.7774 -2.7504 -2.7476 -0.7383 -0.7221 0.0188 0.0266 0.3798 0.4051 1.3411 1.3746 1.8789 1.9410 2.1932 2.2608 2.7758 2.8037 2.9622 3.0563 3.2730 3.3870 3.5407 3.5929 3.8244 3.8545 4.0899 4.1338 8.0865 8.1101 8.3663 8.3916 8.5615 8.5879 9.4074 9.4254 k = 0.1250 0.3543 0.6220 ( 4742 PWs) bands (ev): -7.9408 -7.9405 -7.6857 -7.6855 -7.4312 -7.4305 -7.3501 -7.3496 -3.4794 -3.4697 -3.4371 -3.4200 -2.8534 -2.8222 -2.7821 -2.7772 -2.7503 -2.7473 -0.7419 -0.7252 -0.0276 -0.0202 0.3363 0.3606 1.3209 1.3531 1.9312 1.9935 2.2227 2.2921 2.8182 2.8503 2.9762 3.0717 3.2872 3.4073 3.5534 3.6027 3.8494 3.8827 4.0792 4.1259 8.0356 8.0605 8.3408 8.3616 8.5426 8.5646 9.4125 9.4265 k = 0.1339 0.3425 0.6368 ( 4746 PWs) bands (ev): -7.9296 -7.9293 -7.6812 -7.6810 -7.4407 -7.4400 -7.3561 -7.3556 -3.4776 -3.4678 -3.4374 -3.4201 -2.8510 -2.8194 -2.7821 -2.7769 -2.7503 -2.7471 -0.7437 -0.7268 -0.0731 -0.0660 0.2940 0.3173 1.2986 1.3290 1.9838 2.0461 2.2547 2.3251 2.8572 2.8950 2.9926 3.0854 3.3028 3.4274 3.5664 3.6130 3.8723 3.9083 4.0689 4.1177 7.9857 8.0117 8.3172 8.3347 8.5234 8.5404 9.4071 9.4187 k = 0.1429 0.3307 0.6516 ( 4748 PWs) bands (ev): -7.9179 -7.9175 -7.6772 -7.6770 -7.4501 -7.4495 -7.3624 -7.3618 -3.4757 -3.4657 -3.4376 -3.4204 -2.8484 -2.8166 -2.7822 -2.7764 -2.7505 -2.7469 -0.7438 -0.7266 -0.1178 -0.1107 0.2534 0.2758 1.2749 1.3036 2.0361 2.0980 2.2885 2.3592 2.8884 2.9340 3.0161 3.0988 3.3203 3.4473 3.5796 3.6239 3.8921 3.9302 4.0595 4.1095 7.9371 7.9640 8.2952 8.3114 8.5039 8.5159 9.3935 9.4064 k = 0.1518 0.3189 0.6664 ( 4746 PWs) bands (ev): -7.9057 -7.9053 -7.6736 -7.6734 -7.4592 -7.4585 -7.3690 -7.3683 -3.4738 -3.4637 -3.4378 -3.4208 -2.8457 -2.8138 -2.7825 -2.7759 -2.7509 -2.7469 -0.7419 -0.7245 -0.1614 -0.1542 0.2148 0.2363 1.2509 1.2777 2.0873 2.1486 2.3239 2.3943 2.9077 2.9643 3.0492 3.1137 3.3402 3.4671 3.5930 3.6355 3.9079 3.9475 4.0521 4.1015 7.8903 7.9177 8.2743 8.2918 8.4843 8.4918 9.3779 9.3920 k = 0.1607 0.3071 0.6812 ( 4754 PWs) bands (ev): -7.8931 -7.8928 -7.6709 -7.6707 -7.4677 -7.4671 -7.3757 -7.3750 -3.4719 -3.4615 -3.4381 -3.4215 -2.8430 -2.8112 -2.7829 -2.7753 -2.7515 -2.7469 -0.7378 -0.7204 -0.2041 -0.1965 0.1786 0.1992 1.2273 1.2522 2.1365 2.1966 2.3610 2.4303 2.9157 2.9847 3.0882 3.1317 3.3633 3.4870 3.6064 3.6478 3.9186 3.9595 4.0475 4.0941 7.8458 7.8732 8.2548 8.2750 8.4639 8.4698 9.3633 9.3776 k = 0.1696 0.2953 0.6960 ( 4746 PWs) bands (ev): -7.8803 -7.8799 -7.6691 -7.6689 -7.4754 -7.4748 -7.3825 -7.3818 -3.4700 -3.4593 -3.4383 -3.4223 -2.8401 -2.8086 -2.7833 -2.7746 -2.7521 -2.7470 -0.7316 -0.7141 -0.2456 -0.2374 0.1450 0.1648 1.2046 1.2276 2.1829 2.2412 2.3998 2.4674 2.9157 2.9952 3.1264 3.1531 3.3902 3.5073 3.6200 3.6608 3.9237 3.9664 4.0458 4.0874 7.8039 7.8309 8.2369 8.2603 8.4426 8.4509 9.3510 9.3649 k = 0.1786 0.2834 0.7108 ( 4736 PWs) bands (ev): -7.8673 -7.8669 -7.6685 -7.6683 -7.4820 -7.4815 -7.3894 -7.3886 -3.4683 -3.4571 -3.4386 -3.4233 -2.8373 -2.8062 -2.7838 -2.7739 -2.7530 -2.7472 -0.7232 -0.7057 -0.2860 -0.2771 0.1142 0.1333 1.1833 1.2046 2.2254 2.2817 2.4405 2.5059 2.9104 2.9973 3.1565 3.1785 3.4212 3.5285 3.6336 3.6746 3.9234 3.9692 4.0457 4.0814 7.7653 7.7913 8.2209 8.2470 8.4224 8.4342 9.3417 9.3545 k = 0.1875 0.2716 0.7256 ( 4752 PWs) bands (ev): -7.8542 -7.8538 -7.6694 -7.6691 -7.4873 -7.4868 -7.3962 -7.3954 -3.4666 -3.4548 -3.4389 -3.4245 -2.8345 -2.8040 -2.7842 -2.7732 -2.7538 -2.7475 -0.7125 -0.6952 -0.3251 -0.3154 0.0867 0.1050 1.1637 1.1834 2.2634 2.3175 2.4825 2.5458 2.9013 2.9928 3.1752 3.2062 3.4553 3.5510 3.6475 3.6894 3.9190 3.9690 4.0457 4.0754 7.7304 7.7548 8.2069 8.2344 8.4045 8.4190 9.3355 9.3469 k = 0.1964 0.2598 0.7404 ( 4750 PWs) bands (ev): -7.8413 -7.8409 -7.6717 -7.6713 -7.4912 -7.4908 -7.4028 -7.4020 -3.4651 -3.4524 -3.4391 -3.4258 -2.8318 -2.8021 -2.7847 -2.7725 -2.7548 -2.7479 -0.6996 -0.6825 -0.3627 -0.3523 0.0624 0.0801 1.1463 1.1645 2.2962 2.3485 2.5253 2.5870 2.8891 2.9835 3.1866 3.2298 3.4905 3.5751 3.6612 3.7054 3.9123 3.9667 4.0444 4.0688 7.6994 7.7217 8.1948 8.2223 8.3894 8.4054 9.3322 9.3419 k = 0.2054 0.2480 0.7552 ( 4748 PWs) bands (ev): -7.8287 -7.8283 -7.6754 -7.6750 -7.4937 -7.4933 -7.4091 -7.4083 -3.4638 -3.4500 -3.4394 -3.4274 -2.8294 -2.8004 -2.7850 -2.7719 -2.7557 -2.7483 -0.6846 -0.6678 -0.3988 -0.3877 0.0417 0.0588 1.1312 1.1480 2.3236 2.3749 2.5680 2.6287 2.8742 2.9703 3.1933 3.2469 3.5237 3.6009 3.6741 3.7230 3.9048 3.9627 4.0414 4.0611 7.6729 7.6927 8.1848 8.2107 8.3774 8.3933 9.3313 9.3392 k = 0.2143 0.2362 0.7701 ( 4740 PWs) bands (ev): -7.8169 -7.8165 -7.6801 -7.6797 -7.4950 -7.4946 -7.4149 -7.4141 -3.4626 -3.4477 -3.4396 -3.4290 -2.8271 -2.7991 -2.7852 -2.7714 -2.7566 -2.7487 -0.6676 -0.6513 -0.4330 -0.4213 0.0245 0.0412 1.1186 1.1343 2.3458 2.3965 2.6099 2.6701 2.8568 2.9538 3.1967 3.2576 3.5518 3.6284 3.6855 3.7419 3.8980 3.9573 4.0369 4.0520 7.6512 7.6680 8.1771 8.1998 8.3683 8.3829 9.3322 9.3384 k = 0.2232 0.2244 0.7849 ( 4736 PWs) bands (ev): -7.8062 -7.8058 -7.6855 -7.6851 -7.4953 -7.4950 -7.4199 -7.4191 -3.4617 -3.4453 -3.4398 -3.4308 -2.8252 -2.7982 -2.7852 -2.7710 -2.7574 -2.7490 -0.6490 -0.6334 -0.4648 -0.4527 0.0111 0.0274 1.1087 1.1234 2.3628 2.4134 2.6501 2.7096 2.8368 2.9346 3.1982 3.2633 3.5728 3.6566 3.6947 3.7596 3.8938 3.9505 4.0315 4.0423 7.6344 7.6480 8.1718 8.1899 8.3621 8.3742 9.3340 9.3387 k = 0.2321 0.2126 0.7997 ( 4734 PWs) bands (ev): -7.7973 -7.7971 -7.6905 -7.6901 -7.4951 -7.4948 -7.4238 -7.4230 -3.4611 -3.4432 -3.4399 -3.4326 -2.8238 -2.7977 -2.7850 -2.7707 -2.7580 -2.7493 -0.6296 -0.6153 -0.4930 -0.4812 0.0015 0.0175 1.1015 1.1155 2.3749 2.4256 2.6879 2.7453 2.8146 2.9138 3.1986 3.2657 3.5868 3.6825 3.7019 3.7722 3.8949 3.9416 4.0263 4.0333 7.6227 7.6331 8.1689 8.1815 8.3584 8.3672 9.3360 9.3395 k = 0.2411 0.2007 0.8145 ( 4740 PWs) bands (ev): -7.7914 -7.7912 -7.6942 -7.6939 -7.4947 -7.4945 -7.4263 -7.4255 -3.4606 -3.4415 -3.4397 -3.4343 -2.8229 -2.7975 -2.7849 -2.7706 -2.7584 -2.7495 -0.6116 -0.6002 -0.5144 -0.5045 -0.0043 0.0115 1.0972 1.1108 2.3821 2.4329 2.7223 2.7705 2.7930 2.8946 3.1986 3.2663 3.5947 3.6997 3.7090 3.7774 3.9030 3.9299 4.0226 4.0266 7.6161 7.6236 8.1685 8.1750 8.3572 8.3622 9.3374 9.3402 k = 0.2500 0.1889 0.8293 ( 4740 PWs) bands (ev): -7.7892 -7.7891 -7.6956 -7.6953 -7.4945 -7.4944 -7.4271 -7.4263 -3.4605 -3.4410 -3.4394 -3.4351 -2.8226 -2.7974 -2.7848 -2.7705 -2.7586 -2.7496 -0.6024 -0.5944 -0.5224 -0.5154 -0.0062 0.0095 1.0957 1.1092 2.3845 2.4353 2.7462 2.7632 2.7920 2.8856 3.1986 3.2664 3.5972 3.7035 3.7146 3.7779 3.9159 3.9162 4.0215 4.0240 7.6140 7.6203 8.1704 8.1707 8.3573 8.3599 9.3380 9.3405 k = 0.2500 0.1889 0.8293 ( 4740 PWs) bands (ev): -7.7892 -7.7891 -7.6956 -7.6953 -7.4945 -7.4944 -7.4271 -7.4263 -3.4605 -3.4410 -3.4394 -3.4351 -2.8226 -2.7974 -2.7848 -2.7705 -2.7586 -2.7496 -0.6024 -0.5944 -0.5224 -0.5154 -0.0062 0.0095 1.0957 1.1092 2.3845 2.4353 2.7462 2.7632 2.7920 2.8856 3.1986 3.2664 3.5972 3.7035 3.7146 3.7779 3.9159 3.9162 4.0215 4.0240 7.6140 7.6203 8.1704 8.1707 8.3573 8.3599 9.3380 9.3405 k = 0.2632 0.1989 0.8168 ( 4740 PWs) bands (ev): -7.7899 -7.7898 -7.6952 -7.6949 -7.4946 -7.4944 -7.4268 -7.4260 -3.4605 -3.4413 -3.4395 -3.4348 -2.8227 -2.7975 -2.7848 -2.7707 -2.7584 -2.7495 -0.6076 -0.5980 -0.5201 -0.5116 -0.0027 0.0130 1.0979 1.1115 2.3772 2.4264 2.7352 2.7651 2.7991 2.8854 3.2016 3.2675 3.5971 3.6942 3.7224 3.7791 3.9085 3.9245 4.0233 4.0263 7.6100 7.6166 8.1676 8.1709 8.3619 8.3651 9.3377 9.3402 k = 0.2763 0.2088 0.8044 ( 4731 PWs) bands (ev): -7.7917 -7.7915 -7.6941 -7.6938 -7.4947 -7.4946 -7.4260 -7.4252 -3.4606 -3.4420 -3.4398 -3.4339 -2.8228 -2.7979 -2.7848 -2.7711 -2.7578 -2.7493 -0.6201 -0.6080 -0.5134 -0.5028 0.0074 0.0230 1.1045 1.1181 2.3566 2.4019 2.7145 2.7670 2.8089 2.8853 3.2101 3.2708 3.5968 3.6810 3.7320 3.7827 3.9033 3.9331 4.0286 4.0325 7.5981 7.6050 8.1631 8.1683 8.3761 8.3801 9.3374 9.3399 k = 0.2895 0.2188 0.7919 ( 4741 PWs) bands (ev): -7.7941 -7.7939 -7.6928 -7.6925 -7.4950 -7.4948 -7.4247 -7.4240 -3.4608 -3.4430 -3.4401 -3.4328 -2.8232 -2.7985 -2.7849 -2.7715 -2.7571 -2.7490 -0.6354 -0.6219 -0.5041 -0.4925 0.0234 0.0387 1.1150 1.1288 2.3251 2.3658 2.6899 2.7594 2.8186 2.8880 3.2217 3.2756 3.5967 3.6679 3.7401 3.7886 3.9013 3.9415 4.0375 4.0419 7.5790 7.5860 8.1579 8.1636 8.3992 8.4042 9.3379 9.3402 k = 0.3026 0.2287 0.7794 ( 4742 PWs) bands (ev): -7.7968 -7.7966 -7.6916 -7.6912 -7.4953 -7.4950 -7.4232 -7.4225 -3.4610 -3.4442 -3.4406 -3.4317 -2.8237 -2.7993 -2.7853 -2.7718 -2.7563 -2.7485 -0.6511 -0.6368 -0.4942 -0.4824 0.0443 0.0594 1.1295 1.1435 2.2855 2.3222 2.6615 2.7363 2.8325 2.8941 3.2331 3.2807 3.5965 3.6555 3.7468 3.7958 3.9029 3.9492 4.0497 4.0542 7.5542 7.5607 8.1522 8.1575 8.4295 8.4367 9.3394 9.3418 k = 0.3158 0.2387 0.7670 ( 4745 PWs) bands (ev): -7.7994 -7.7992 -7.6905 -7.6902 -7.4956 -7.4953 -7.4215 -7.4208 -3.4613 -3.4454 -3.4411 -3.4307 -2.8243 -2.8004 -2.7858 -2.7720 -2.7556 -2.7480 -0.6656 -0.6509 -0.4846 -0.4730 0.0692 0.0840 1.1474 1.1616 2.2406 2.2742 2.6287 2.7013 2.8493 2.9023 3.2416 3.2845 3.5961 3.6440 3.7531 3.8030 3.9077 3.9558 4.0648 4.0699 7.5256 7.5312 8.1462 8.1506 8.4657 8.4760 9.3422 9.3450 k = 0.3289 0.2486 0.7545 ( 4747 PWs) bands (ev): -7.8018 -7.8016 -7.6899 -7.6896 -7.4958 -7.4955 -7.4199 -7.4191 -3.4617 -3.4467 -3.4417 -3.4298 -2.8251 -2.8016 -2.7866 -2.7720 -2.7550 -2.7475 -0.6779 -0.6631 -0.4756 -0.4647 0.0971 0.1117 1.1684 1.1829 2.1927 2.2239 2.5920 2.6591 2.8670 2.9110 3.2459 3.2856 3.5950 3.6336 3.7592 3.8093 3.9146 3.9610 4.0821 4.0888 7.4954 7.4996 8.1400 8.1434 8.5066 8.5206 9.3460 9.3500 k = 0.3421 0.2585 0.7420 ( 4745 PWs) bands (ev): -7.8038 -7.8035 -7.6898 -7.6895 -7.4960 -7.4956 -7.4183 -7.4176 -3.4622 -3.4479 -3.4424 -3.4290 -2.8261 -2.8031 -2.7876 -2.7719 -2.7545 -2.7470 -0.6872 -0.6724 -0.4675 -0.4574 0.1270 0.1415 1.1922 1.2069 2.1434 2.1731 2.5520 2.6128 2.8842 2.9196 3.2455 3.2831 3.5931 3.6244 3.7653 3.8146 3.9217 3.9648 4.1013 4.1100 7.4655 7.4682 8.1336 8.1363 8.5510 8.5690 9.3509 9.3566 k = 0.3553 0.2685 0.7296 ( 4745 PWs) bands (ev): -7.8052 -7.8050 -7.6903 -7.6900 -7.4960 -7.4957 -7.4169 -7.4162 -3.4628 -3.4492 -3.4432 -3.4283 -2.8273 -2.8046 -2.7886 -2.7718 -2.7541 -2.7466 -0.6929 -0.6783 -0.4602 -0.4510 0.1582 0.1726 1.2182 1.2331 2.0944 2.1231 2.5099 2.5645 2.9002 2.9276 3.2405 3.2765 3.5908 3.6163 3.7710 3.8189 3.9275 3.9674 4.1216 4.1317 7.4373 7.4395 8.1272 8.1300 8.5977 8.6199 9.3563 9.3643 k = 0.3684 0.2784 0.7171 ( 4750 PWs) bands (ev): -7.8060 -7.8058 -7.6914 -7.6912 -7.4960 -7.4956 -7.4157 -7.4150 -3.4636 -3.4503 -3.4441 -3.4278 -2.8287 -2.8063 -2.7896 -2.7716 -2.7539 -2.7465 -0.6947 -0.6804 -0.4537 -0.4455 0.1897 0.2041 1.2459 1.2610 2.0470 2.0750 2.4667 2.5157 2.9142 2.9347 3.2315 3.2661 3.5881 3.6094 3.7761 3.8224 3.9312 3.9689 4.1418 4.1524 7.4118 7.4157 8.1209 8.1248 8.6457 8.6721 9.3618 9.3727 k = 0.3816 0.2884 0.7046 ( 4747 PWs) bands (ev): -7.8062 -7.8059 -7.6933 -7.6931 -7.4957 -7.4953 -7.4148 -7.4142 -3.4645 -3.4514 -3.4450 -3.4276 -2.8303 -2.8081 -2.7906 -2.7715 -2.7539 -2.7465 -0.6922 -0.6783 -0.4479 -0.4408 0.2207 0.2351 1.2747 1.2899 2.0022 2.0299 2.4237 2.4675 2.9255 2.9408 3.2189 3.2520 3.5855 3.6035 3.7802 3.8253 3.9328 3.9696 4.1601 4.1703 7.3911 7.3976 8.1153 8.1209 8.6940 8.7246 9.3665 9.3808 k = 0.3947 0.2983 0.6922 ( 4735 PWs) bands (ev): -7.8056 -7.8053 -7.6959 -7.6957 -7.4953 -7.4949 -7.4141 -7.4135 -3.4656 -3.4524 -3.4459 -3.4274 -2.8322 -2.8099 -2.7915 -2.7715 -2.7541 -2.7467 -0.6854 -0.6718 -0.4428 -0.4367 0.2502 0.2647 1.3039 1.3192 1.9610 1.9887 2.3819 2.4209 2.9329 2.9464 3.2034 3.2350 3.5832 3.5987 3.7831 3.8273 3.9324 3.9696 4.1749 4.1840 7.3765 7.3858 8.1110 8.1183 8.7414 8.7762 9.3695 9.3878 k = 0.4079 0.3083 0.6797 ( 4737 PWs) bands (ev): -7.8042 -7.8040 -7.6994 -7.6992 -7.4946 -7.4942 -7.4137 -7.4131 -3.4669 -3.4533 -3.4469 -3.4275 -2.8344 -2.8118 -2.7923 -2.7715 -2.7546 -2.7471 -0.6741 -0.6609 -0.4383 -0.4331 0.2777 0.2922 1.3327 1.3481 1.9243 1.9524 2.3424 2.3770 2.9356 2.9514 3.1854 3.2155 3.5814 3.5949 3.7845 3.8283 3.9309 3.9692 4.1848 4.1926 7.3687 7.3810 8.1083 8.1176 8.7871 8.8258 9.3696 9.3925 k = 0.4211 0.3182 0.6673 ( 4737 PWs) bands (ev): -7.8022 -7.8020 -7.7037 -7.7036 -7.4938 -7.4934 -7.4135 -7.4129 -3.4684 -3.4541 -3.4478 -3.4277 -2.8368 -2.8136 -2.7930 -2.7715 -2.7552 -2.7476 -0.6583 -0.6456 -0.4344 -0.4298 0.3022 0.3168 1.3602 1.3759 1.8928 1.9216 2.3063 2.3367 2.9340 2.9547 3.1657 3.1944 3.5801 3.5920 3.7843 3.8280 3.9288 3.9687 4.1889 4.1952 7.3681 7.3834 8.1075 8.1190 8.8299 8.8722 9.3657 9.3936 k = 0.4342 0.3281 0.6548 ( 4731 PWs) bands (ev): -7.7994 -7.7992 -7.7090 -7.7088 -7.4927 -7.4923 -7.4133 -7.4128 -3.4700 -3.4549 -3.4486 -3.4281 -2.8394 -2.8154 -2.7936 -2.7715 -2.7560 -2.7483 -0.6383 -0.6261 -0.4310 -0.4267 0.3233 0.3379 1.3853 1.4017 1.8670 1.8973 2.2744 2.3008 2.9286 2.9552 3.1448 3.1723 3.5793 3.5899 3.7822 3.8260 3.9268 3.9682 4.1868 4.1919 7.3746 7.3927 8.1090 8.1227 8.8688 8.9141 9.3570 9.3901 k = 0.4474 0.3381 0.6423 ( 4731 PWs) bands (ev): -7.7960 -7.7958 -7.7152 -7.7150 -7.4915 -7.4910 -7.4132 -7.4126 -3.4717 -3.4557 -3.4494 -3.4285 -2.8422 -2.8172 -2.7941 -2.7716 -2.7570 -2.7491 -0.6142 -0.6027 -0.4281 -0.4236 0.3403 0.3549 1.4071 1.4248 1.8470 1.8797 2.2476 2.2704 2.9193 2.9519 3.1235 3.1503 3.5787 3.5884 3.7783 3.8221 3.9250 3.9678 4.1788 4.1829 7.3878 7.4086 8.1132 8.1292 8.9024 8.9500 9.3432 9.3813 k = 0.4605 0.3480 0.6299 ( 4732 PWs) bands (ev): -7.7921 -7.7919 -7.7222 -7.7220 -7.4899 -7.4895 -7.4130 -7.4125 -3.4735 -3.4565 -3.4501 -3.4291 -2.8451 -2.8190 -2.7946 -2.7718 -2.7580 -2.7501 -0.5867 -0.5758 -0.4253 -0.4201 0.3531 0.3676 1.4248 1.4446 1.8330 1.8688 2.2268 2.2464 2.9061 2.9442 3.1025 3.1290 3.5779 3.5870 3.7727 3.8165 3.9232 3.9672 4.1656 4.1693 7.4068 7.4299 8.1202 8.1386 8.9291 8.9781 9.3248 9.3678 k = 0.4737 0.3580 0.6174 ( 4738 PWs) bands (ev): -7.7882 -7.7878 -7.7298 -7.7295 -7.4881 -7.4877 -7.4126 -7.4121 -3.4754 -3.4573 -3.4507 -3.4297 -2.8480 -2.8208 -2.7949 -2.7720 -2.7591 -2.7510 -0.5566 -0.5463 -0.4220 -0.4156 0.3616 0.3761 1.4381 1.4604 1.8245 1.8643 2.2122 2.2297 2.8890 2.9317 3.0823 3.1093 3.5764 3.5851 3.7660 3.8099 3.9203 3.9654 4.1493 4.1525 7.4306 7.4555 8.1301 8.1511 8.9469 8.9963 9.3032 9.3508 k = 0.4868 0.3679 0.6049 ( 4736 PWs) bands (ev): -7.7849 -7.7845 -7.7371 -7.7367 -7.4861 -7.4857 -7.4120 -7.4115 -3.4772 -3.4582 -3.4512 -3.4303 -2.8509 -2.8225 -2.7952 -2.7722 -2.7601 -2.7520 -0.5259 -0.5161 -0.4168 -0.4088 0.3660 0.3804 1.4471 1.4719 1.8211 1.8649 2.2041 2.2209 2.8682 2.9143 3.0636 3.0916 3.5733 3.5820 3.7587 3.8032 3.9144 3.9609 4.1322 4.1351 7.4578 7.4842 8.1430 8.1666 8.9532 9.0021 9.2794 9.3317 k = 0.5000 0.3779 0.5925 ( 4736 PWs) bands (ev): -7.7843 -7.7839 -7.7423 -7.7418 -7.4838 -7.4834 -7.4111 -7.4107 -3.4790 -3.4591 -3.4517 -3.4309 -2.8538 -2.8242 -2.7955 -2.7726 -2.7610 -2.7530 -0.4983 -0.4887 -0.4062 -0.3966 0.3668 0.3811 1.4522 1.4791 1.8219 1.8694 2.2023 2.2201 2.8439 2.8923 3.0465 3.0759 3.5680 3.5767 3.7515 3.7971 3.9036 3.9516 4.1176 4.1204 7.4871 7.5143 8.1584 8.1847 8.9456 8.9935 9.2523 9.3088 k = 0.5000 0.3779 0.5925 ( 4736 PWs) bands (ev): -7.7843 -7.7839 -7.7423 -7.7418 -7.4838 -7.4834 -7.4111 -7.4107 -3.4790 -3.4591 -3.4517 -3.4309 -2.8538 -2.8242 -2.7955 -2.7726 -2.7610 -2.7530 -0.4983 -0.4887 -0.4062 -0.3966 0.3668 0.3811 1.4522 1.4791 1.8219 1.8694 2.2023 2.2201 2.8439 2.8923 3.0465 3.0759 3.5680 3.5767 3.7515 3.7971 3.9036 3.9516 4.1176 4.1204 7.4871 7.5143 8.1584 8.1847 8.9456 8.9935 9.2523 9.3088 k = 0.5000 0.3779 0.5713 ( 4730 PWs) bands (ev): -7.7883 -7.7878 -7.7470 -7.7464 -7.4792 -7.4788 -7.4092 -7.4088 -3.4818 -3.4607 -3.4525 -3.4319 -2.8582 -2.8272 -2.7958 -2.7732 -2.7625 -2.7547 -0.4571 -0.4477 -0.3803 -0.3683 0.3660 0.3798 1.4587 1.4888 1.8265 1.8797 2.2044 2.2251 2.7996 2.8507 3.0203 3.0517 3.5561 3.5650 3.7395 3.7873 3.8804 3.9310 4.0959 4.0990 7.5386 7.5665 8.1845 8.2158 8.9143 8.9608 9.1970 9.2563 k = 0.5000 0.3779 0.5501 ( 4726 PWs) bands (ev): -7.7947 -7.7942 -7.7499 -7.7494 -7.4739 -7.4735 -7.4072 -7.4069 -3.4844 -3.4623 -3.4534 -3.4329 -2.8623 -2.8303 -2.7962 -2.7740 -2.7639 -2.7563 -0.4165 -0.4063 -0.3544 -0.3397 0.3666 0.3792 1.4664 1.5000 1.8316 1.8909 2.2062 2.2301 2.7555 2.8084 2.9967 3.0297 3.5437 3.5524 3.7272 3.7771 3.8577 3.9110 4.0734 4.0764 7.5909 7.6192 8.2058 8.2425 8.8742 8.9206 9.1343 9.1925 k = 0.5000 0.3779 0.5290 ( 4730 PWs) bands (ev): -7.8033 -7.8029 -7.7514 -7.7510 -7.4679 -7.4675 -7.4050 -7.4047 -3.4867 -3.4640 -3.4545 -3.4339 -2.8659 -2.8334 -2.7966 -2.7748 -2.7653 -2.7578 -0.3778 -0.3654 -0.3290 -0.3115 0.3693 0.3798 1.4757 1.5129 1.8372 1.9027 2.2075 2.2350 2.7123 2.7664 2.9759 3.0101 3.5308 3.5389 3.7148 3.7664 3.8358 3.8919 4.0503 4.0531 7.6432 7.6712 8.2205 8.2626 8.8296 8.8761 9.0660 9.1205 k = 0.5000 0.3779 0.5078 ( 4736 PWs) bands (ev): -7.8135 -7.8132 -7.7521 -7.7517 -7.4613 -7.4610 -7.4025 -7.4023 -3.4887 -3.4657 -3.4557 -3.4348 -2.8691 -2.8366 -2.7970 -2.7759 -2.7665 -2.7592 -0.3417 -0.3257 -0.3049 -0.2848 0.3750 0.3824 1.4866 1.5280 1.8433 1.9153 2.2081 2.2396 2.6712 2.7256 2.9581 2.9928 3.5173 3.5247 3.7025 3.7551 3.8151 3.8737 4.0270 4.0292 7.6944 7.7215 8.2266 8.2733 8.7834 8.8290 8.9930 9.0449 k = 0.5000 0.3779 0.4867 ( 4734 PWs) bands (ev): -7.8248 -7.8245 -7.7524 -7.7520 -7.4542 -7.4538 -7.3998 -7.3996 -3.4902 -3.4675 -3.4570 -3.4356 -2.8716 -2.8398 -2.7974 -2.7774 -2.7675 -2.7604 -0.3087 -0.2892 -0.2823 -0.2606 0.3844 0.3881 1.4995 1.5453 1.8501 1.9285 2.2081 2.2440 2.6328 2.6868 2.9432 2.9782 3.5031 3.5100 3.6904 3.7428 3.7960 3.8566 4.0037 4.0052 7.7431 7.7685 8.2231 8.2724 8.7368 8.7789 8.9142 8.9686 k = 0.5000 0.3779 0.4655 ( 4736 PWs) bands (ev): -7.8367 -7.8365 -7.7527 -7.7523 -7.4465 -7.4462 -7.3967 -7.3966 -3.4914 -3.4693 -3.4583 -3.4364 -2.8736 -2.8428 -2.7977 -2.7794 -2.7682 -2.7614 -0.2796 -0.2647 -0.2542 -0.2399 0.3964 0.4004 1.5145 1.5653 1.8574 1.9423 2.2072 2.2480 2.5980 2.6507 2.9312 2.9664 3.4882 3.4950 3.6786 3.7290 3.7793 3.8404 3.9804 3.9816 7.7876 7.8103 8.2100 8.2589 8.6875 8.7241 8.8285 8.8820 k = 0.5000 0.3779 0.4444 ( 4730 PWs) bands (ev): -7.8490 -7.8488 -7.7532 -7.7527 -7.4385 -7.4382 -7.3933 -7.3931 -3.4921 -3.4712 -3.4596 -3.4370 -2.8751 -2.8456 -2.7979 -2.7817 -2.7686 -2.7624 -0.2567 -0.2484 -0.2267 -0.2214 0.4112 0.4206 1.5317 1.5881 1.8653 1.9566 2.2053 2.2514 2.5673 2.6179 2.9222 2.9573 3.4724 3.4801 3.6671 3.7131 3.7656 3.8253 3.9572 3.9590 7.8258 7.8443 8.1889 8.2338 8.6317 8.6645 8.7389 8.7940 k = 0.5000 0.3779 0.4232 ( 4722 PWs) bands (ev): -7.8616 -7.8614 -7.7539 -7.7535 -7.4302 -7.4299 -7.3896 -7.3893 -3.4924 -3.4731 -3.4609 -3.4376 -2.8761 -2.8482 -2.7981 -2.7842 -2.7690 -2.7632 -0.2454 -0.2340 -0.2093 -0.1989 0.4317 0.4471 1.5511 1.6136 1.8739 1.9712 2.2023 2.2542 2.5416 2.5890 2.9159 2.9509 3.4559 3.4652 3.6558 3.6953 3.7548 3.8112 3.9345 3.9376 7.8547 7.8677 8.1623 8.1999 8.5669 8.6005 8.6527 8.7108 k = 0.5000 0.3779 0.4020 ( 4730 PWs) bands (ev): -7.8742 -7.8740 -7.7550 -7.7545 -7.4216 -7.4213 -7.3855 -7.3851 -3.4923 -3.4750 -3.4622 -3.4381 -2.8766 -2.8503 -2.7981 -2.7870 -2.7692 -2.7639 -0.2436 -0.2268 -0.1934 -0.1787 0.4584 0.4797 1.5727 1.6418 1.8831 1.9859 2.1981 2.2563 2.5211 2.5645 2.9123 2.9473 3.4388 3.4504 3.6444 3.6762 3.7466 3.7981 3.9128 3.9172 7.8703 7.8777 8.1327 8.1605 8.4943 8.5262 8.5833 8.6369 k = 0.5000 0.3779 0.3809 ( 4734 PWs) bands (ev): -7.8867 -7.8866 -7.7565 -7.7559 -7.4129 -7.4126 -7.3810 -7.3806 -3.4918 -3.4768 -3.4636 -3.4386 -2.8767 -2.8521 -2.7981 -2.7899 -2.7695 -2.7644 -0.2493 -0.2282 -0.1779 -0.1623 0.4913 0.5177 1.5962 1.6723 1.8929 2.0004 2.1928 2.2576 2.5064 2.5450 2.9113 2.9462 3.4215 3.4357 3.6325 3.6567 3.7404 3.7860 3.8924 3.8981 7.8666 7.8757 8.1005 8.1184 8.4159 8.4416 8.5359 8.5782 k = 0.5000 0.3779 0.3597 ( 4736 PWs) bands (ev): -7.8990 -7.8989 -7.7583 -7.7577 -7.4041 -7.4038 -7.3762 -7.3757 -3.4910 -3.4785 -3.4648 -3.4390 -2.8766 -2.8533 -2.7980 -2.7929 -2.7700 -2.7647 -0.2613 -0.2368 -0.1644 -0.1495 0.5299 0.5604 1.6213 1.7045 1.9033 2.0144 2.1864 2.2581 2.4974 2.5316 2.9126 2.9475 3.4041 3.4210 3.6187 3.6382 3.7357 3.7749 3.8737 3.8804 7.8454 7.8609 8.0623 8.0754 8.3334 8.3554 8.5054 8.5391 k = 0.5000 0.3779 0.3386 ( 4744 PWs) bands (ev): -7.9111 -7.9110 -7.7604 -7.7598 -7.3953 -7.3951 -7.3711 -7.3705 -3.4898 -3.4801 -3.4661 -3.4393 -2.8763 -2.8538 -2.7978 -2.7959 -2.7706 -2.7649 -0.2785 -0.2513 -0.1536 -0.1400 0.5731 0.6067 1.6476 1.7374 1.9143 2.0274 2.1792 2.2578 2.4940 2.5255 2.9160 2.9510 3.3867 3.4064 3.6015 3.6222 3.7323 3.7649 3.8568 3.8642 7.8128 7.8335 8.0157 8.0306 8.2495 8.2708 8.4893 8.5196 k = 0.5000 0.3779 0.3174 ( 4740 PWs) bands (ev): -7.9228 -7.9227 -7.7628 -7.7622 -7.3866 -7.3863 -7.3658 -7.3652 -3.4883 -3.4815 -3.4674 -3.4396 -2.8759 -2.8536 -2.7990 -2.7974 -2.7712 -2.7650 -0.2998 -0.2706 -0.1455 -0.1334 0.6200 0.6557 1.6743 1.7700 1.9259 2.0387 2.1714 2.2567 2.4954 2.5281 2.9214 2.9565 3.3696 3.3920 3.5812 3.6082 3.7299 3.7565 3.8420 3.8495 7.7737 7.7975 7.9634 7.9808 8.1665 8.1884 8.4858 8.5150 k = 0.5000 0.3779 0.2962 ( 4724 PWs) bands (ev): -7.9340 -7.9339 -7.7655 -7.7649 -7.3780 -7.3778 -7.3603 -7.3597 -3.4868 -3.4825 -3.4687 -3.4399 -2.8755 -2.8527 -2.8019 -2.7971 -2.7720 -2.7651 -0.3240 -0.2937 -0.1401 -0.1295 0.6695 0.7066 1.7011 1.8010 1.9378 2.0479 2.1637 2.2547 2.5018 2.5401 2.9284 2.9636 3.3529 3.3777 3.5592 3.5943 3.7280 3.7498 3.8292 3.8364 7.7317 7.7568 7.9079 7.9264 8.0861 8.1087 8.4913 8.5194 k = 0.5000 0.3779 0.2751 ( 4730 PWs) bands (ev): -7.9448 -7.9447 -7.7683 -7.7677 -7.3696 -7.3694 -7.3547 -7.3541 -3.4859 -3.4824 -3.4700 -3.4402 -2.8751 -2.8512 -2.8046 -2.7967 -2.7728 -2.7652 -0.3503 -0.3195 -0.1370 -0.1278 0.7208 0.7585 1.7273 1.8292 1.9497 2.0540 2.1568 2.2520 2.5140 2.5610 2.9369 2.9722 3.3366 3.3636 3.5362 3.5795 3.7266 3.7452 3.8184 3.8249 7.6892 7.7146 7.8514 7.8696 8.0092 8.0322 8.5018 8.5279 k = 0.5000 0.3779 0.2539 ( 4718 PWs) bands (ev): -7.9549 -7.9548 -7.7713 -7.7707 -7.3616 -7.3614 -7.3492 -7.3485 -3.4863 -3.4808 -3.4713 -3.4405 -2.8748 -2.8492 -2.8072 -2.7962 -2.7737 -2.7653 -0.3776 -0.3471 -0.1361 -0.1281 0.7730 0.8108 1.7524 1.8537 1.9610 2.0562 2.1518 2.2485 2.5330 2.5897 2.9465 2.9819 3.3209 3.3497 3.5126 3.5633 3.7254 3.7430 3.8095 3.8148 7.6477 7.6729 7.7954 7.8127 7.9363 7.9594 8.5129 8.5358 k = 0.5000 0.3779 0.2328 ( 4718 PWs) bands (ev): -7.9645 -7.9644 -7.7743 -7.7737 -7.3539 -7.3537 -7.3437 -7.3430 -3.4869 -3.4785 -3.4725 -3.4408 -2.8743 -2.8470 -2.8093 -2.7956 -2.7747 -2.7656 -0.4054 -0.3757 -0.1369 -0.1300 0.8253 0.8626 1.7761 1.8744 1.9709 2.0539 2.1497 2.2446 2.5591 2.6251 2.9571 2.9924 3.3058 3.3361 3.4883 3.5456 3.7247 3.7428 3.8023 3.8061 7.6085 7.6331 7.7413 7.7573 7.8680 7.8907 8.5163 8.5357 k = 0.5000 0.3779 0.2116 ( 4706 PWs) bands (ev): -7.9734 -7.9733 -7.7772 -7.7767 -7.3466 -7.3464 -7.3384 -7.3377 -3.4875 -3.4761 -3.4736 -3.4411 -2.8737 -2.8448 -2.8109 -2.7949 -2.7756 -2.7660 -0.4328 -0.4044 -0.1391 -0.1331 0.8770 0.9134 1.7981 1.8914 1.9787 2.0472 2.1504 2.2403 2.5921 2.6660 2.9683 3.0034 3.2915 3.3228 3.4634 3.5260 3.7248 3.7439 3.7964 3.7987 7.5722 7.5961 7.6900 7.7045 7.8045 7.8265 8.4926 8.5171 k = 0.5000 0.3779 0.1904 ( 4704 PWs) bands (ev): -7.9816 -7.9815 -7.7801 -7.7796 -7.3398 -7.3396 -7.3333 -7.3327 -3.4879 -3.4755 -3.4728 -3.4415 -2.8729 -2.8432 -2.8116 -2.7942 -2.7766 -2.7666 -0.4592 -0.4326 -0.1422 -0.1372 0.9275 0.9625 1.8181 1.9052 1.9836 2.0368 2.1535 2.2359 2.6312 2.7112 2.9800 3.0148 3.2779 3.3098 3.4379 3.5048 3.7259 3.7461 3.7917 3.7925 7.5394 7.5624 7.6424 7.6554 7.7461 7.7670 8.4474 8.4760 k = 0.5000 0.3779 0.1693 ( 4708 PWs) bands (ev): -7.9890 -7.9889 -7.7829 -7.7824 -7.3336 -7.3334 -7.3285 -7.3279 -3.4882 -3.4766 -3.4702 -3.4420 -2.8719 -2.8423 -2.8112 -2.7935 -2.7776 -2.7674 -0.4841 -0.4596 -0.1461 -0.1418 0.9761 1.0093 1.8361 1.9163 1.9857 2.0240 2.1582 2.2314 2.6751 2.7594 2.9920 3.0261 3.2652 3.2972 3.4117 3.4818 3.7280 3.7488 3.7873 3.7879 7.5104 7.5324 7.5991 7.6104 7.6931 7.7127 8.3970 8.4252 k = 0.5000 0.3779 0.1481 ( 4712 PWs) bands (ev): -7.9956 -7.9955 -7.7855 -7.7851 -7.3279 -7.3277 -7.3241 -7.3236 -3.4883 -3.4778 -3.4674 -3.4426 -2.8707 -2.8424 -2.8097 -2.7926 -2.7786 -2.7685 -0.5070 -0.4849 -0.1503 -0.1467 1.0221 1.0530 1.8520 1.9251 1.9852 2.0097 2.1636 2.2271 2.7226 2.8094 3.0041 3.0370 3.2535 3.2850 3.3848 3.4571 3.7309 3.7518 3.7828 3.7848 7.4853 7.5061 7.5606 7.5702 7.6457 7.6637 8.3466 8.3728 k = 0.5000 0.3779 0.1270 ( 4716 PWs) bands (ev): -8.0014 -8.0013 -7.7878 -7.7874 -7.3229 -7.3228 -7.3202 -7.3197 -3.4883 -3.4790 -3.4647 -3.4433 -2.8693 -2.8434 -2.8071 -2.7918 -2.7797 -2.7698 -0.5275 -0.5081 -0.1545 -0.1515 1.0648 1.0929 1.8658 1.9320 1.9823 1.9952 2.1693 2.2230 2.7720 2.8596 3.0160 3.0473 3.2430 3.2734 3.3575 3.4307 3.7345 3.7550 3.7790 3.7824 7.4641 7.4834 7.5273 7.5351 7.6042 7.6203 8.2988 8.3224 k = 0.5000 0.3779 0.1058 ( 4712 PWs) bands (ev): -8.0063 -8.0063 -7.7898 -7.7895 -7.3186 -7.3185 -7.3167 -7.3163 -3.4881 -3.4801 -3.4620 -3.4442 -2.8677 -2.8451 -2.8038 -2.7908 -2.7807 -2.7714 -0.5451 -0.5286 -0.1585 -0.1561 1.1035 1.1282 1.8776 1.9371 1.9762 1.9830 2.1751 2.2191 2.8220 2.9084 3.0275 3.0565 3.2340 3.2623 3.3301 3.4026 3.7385 3.7582 3.7757 3.7804 7.4468 7.4641 7.4996 7.5055 7.5688 7.5828 8.2553 8.2759 k = 0.5000 0.3779 0.0846 ( 4708 PWs) bands (ev): -8.0104 -8.0104 -7.7916 -7.7913 -7.3150 -7.3149 -7.3138 -7.3135 -3.4878 -3.4813 -3.4595 -3.4451 -2.8659 -2.8472 -2.8001 -2.7899 -2.7818 -2.7734 -0.5597 -0.5463 -0.1621 -0.1601 1.1373 1.1581 1.8874 1.9398 1.9657 1.9764 2.1806 2.2153 2.8712 2.9539 3.0385 3.0642 3.2271 3.2522 3.3033 3.3730 3.7427 3.7612 3.7727 3.7787 7.4330 7.4476 7.4778 7.4817 7.5397 7.5513 8.2177 8.2349 k = 0.5000 0.3779 0.0635 ( 4704 PWs) bands (ev): -8.0136 -8.0136 -7.7929 -7.7927 -7.3122 -7.3121 -7.3115 -7.3112 -3.4873 -3.4824 -3.4571 -3.4463 -2.8638 -2.8495 -2.7962 -2.7889 -2.7829 -2.7757 -0.5709 -0.5607 -0.1650 -0.1635 1.1655 1.1818 1.8956 1.9384 1.9579 1.9715 2.1859 2.2116 2.9182 2.9928 3.0489 3.0698 3.2229 3.2434 3.2786 3.3421 3.7469 3.7635 3.7702 3.7771 7.4226 7.4337 7.4618 7.4640 7.5170 7.5261 8.1875 8.2008 k = 0.5000 0.3779 0.0423 ( 4698 PWs) bands (ev): -8.0159 -8.0159 -7.7939 -7.7938 -7.3103 -7.3102 -7.3097 -7.3096 -3.4868 -3.4834 -3.4548 -3.4476 -2.8617 -2.8520 -2.7924 -2.7878 -2.7840 -2.7783 -0.5785 -0.5716 -0.1671 -0.1661 1.1873 1.1985 1.9025 1.9315 1.9564 1.9673 2.1909 2.2079 2.9610 3.0203 3.0583 3.0727 3.2232 3.2370 3.2584 3.3107 3.7511 3.7640 3.7694 3.7756 7.4153 7.4227 7.4512 7.4522 7.5011 7.5074 8.1657 8.1748 k = 0.5000 0.3779 0.0212 ( 4696 PWs) bands (ev): -8.0173 -8.0173 -7.7945 -7.7944 -7.3091 -7.3090 -7.3086 -7.3085 -3.4861 -3.4844 -3.4528 -3.4491 -2.8594 -2.8545 -2.7890 -2.7865 -2.7851 -2.7812 -0.5824 -0.5790 -0.1683 -0.1678 1.2019 1.2076 1.9089 1.9232 1.9580 1.9637 2.1956 2.2040 2.9973 3.0311 3.0658 3.0725 3.2293 3.2356 3.2452 3.2804 3.7550 3.7618 3.7706 3.7741 7.4114 7.4151 7.4452 7.4457 7.4921 7.4953 8.1532 8.1578 k = 0.5000 0.3779 0.0000 ( 4672 PWs) bands (ev): -8.0177 -8.0177 -7.7947 -7.7947 -7.3087 -7.3087 -7.3082 -7.3082 -3.4853 -3.4853 -3.4509 -3.4509 -2.8570 -2.8570 -2.7867 -2.7867 -2.7841 -2.7841 -0.5826 -0.5826 -0.1685 -0.1685 1.2087 1.2087 1.9156 1.9156 1.9606 1.9606 2.1999 2.1999 3.0226 3.0226 3.0701 3.0701 3.2341 3.2341 3.2544 3.2544 3.7586 3.7586 3.7724 3.7724 7.4113 7.4113 7.4435 7.4435 7.4902 7.4902 8.1505 8.1505 k = 0.0000 0.0000 0.8293 ( 4724 PWs) bands (ev): -7.7906 -7.7906 -7.6959 -7.6959 -7.4927 -7.4927 -7.4262 -7.4262 -3.4533 -3.4533 -3.4351 -3.4351 -2.8108 -2.8108 -2.7811 -2.7811 -2.7443 -2.7443 -0.7692 -0.7692 -0.5750 -0.5750 0.3867 0.3867 1.4300 1.4300 1.8046 1.8046 2.1846 2.1846 3.1277 3.1277 3.3125 3.3125 3.6433 3.6433 3.8414 3.8414 4.1239 4.1239 4.2236 4.2236 7.1610 7.1610 7.9284 7.9284 8.7456 8.7456 9.2879 9.2879 k = 0.0167 0.0126 0.8293 ( 4738 PWs) bands (ev): -7.7906 -7.7905 -7.6959 -7.6959 -7.4927 -7.4927 -7.4263 -7.4262 -3.4541 -3.4524 -3.4352 -3.4350 -2.8119 -2.8097 -2.7814 -2.7808 -2.7446 -2.7441 -0.7680 -0.7677 -0.5746 -0.5742 0.3813 0.3832 1.4236 1.4261 1.8094 1.8104 2.1882 2.1957 3.1257 3.1260 3.3115 3.3131 3.6422 3.6442 3.8410 3.8418 4.1208 4.1213 4.2211 4.2216 7.1649 7.1650 7.9306 7.9311 8.7429 8.7430 9.2884 9.2886 k = 0.0333 0.0252 0.8293 ( 4730 PWs) bands (ev): -7.7905 -7.7905 -7.6959 -7.6958 -7.4927 -7.4927 -7.4263 -7.4262 -3.4550 -3.4514 -3.4354 -3.4350 -2.8130 -2.8086 -2.7816 -2.7804 -2.7451 -2.7442 -0.7639 -0.7634 -0.5732 -0.5723 0.3675 0.3713 1.4076 1.4124 1.8245 1.8271 2.2061 2.2206 3.1201 3.1206 3.3100 3.3133 3.6408 3.6448 3.8405 3.8419 4.1124 4.1134 4.2143 4.2152 7.1765 7.1767 7.9376 7.9386 8.7349 8.7351 9.2901 9.2904 k = 0.0500 0.0378 0.8293 ( 4722 PWs) bands (ev): -7.7904 -7.7904 -7.6959 -7.6958 -7.4928 -7.4928 -7.4264 -7.4261 -3.4558 -3.4505 -3.4355 -3.4349 -2.8141 -2.8075 -2.7818 -2.7800 -2.7457 -2.7443 -0.7572 -0.7564 -0.5707 -0.5693 0.3460 0.3515 1.3837 1.3906 1.8495 1.8540 2.2363 2.2571 3.1108 3.1115 3.3080 3.3131 3.6391 3.6453 3.8398 3.8420 4.0990 4.1002 4.2035 4.2048 7.1954 7.1957 7.9491 7.9507 8.7215 8.7217 9.2928 9.2933 k = 0.0667 0.0504 0.8293 ( 4728 PWs) bands (ev): -7.7904 -7.7903 -7.6959 -7.6958 -7.4930 -7.4929 -7.4265 -7.4261 -3.4565 -3.4495 -3.4357 -3.4349 -2.8151 -2.8064 -2.7820 -2.7794 -2.7466 -2.7446 -0.7479 -0.7469 -0.5672 -0.5654 0.3181 0.3251 1.3541 1.3628 1.8834 1.8902 2.2764 2.3027 3.0977 3.0986 3.3053 3.3124 3.6369 3.6458 3.8388 3.8417 4.0812 4.0823 4.1892 4.1909 7.2213 7.2218 7.9648 7.9669 8.7026 8.7029 9.2965 9.2971 k = 0.0833 0.0630 0.8293 ( 4740 PWs) bands (ev): -7.7902 -7.7902 -7.6959 -7.6957 -7.4931 -7.4931 -7.4265 -7.4261 -3.4572 -3.4486 -3.4359 -3.4349 -2.8162 -2.8053 -2.7822 -2.7788 -2.7475 -2.7451 -0.7362 -0.7349 -0.5629 -0.5607 0.2851 0.2935 1.3211 1.3312 1.9251 1.9345 2.3236 2.3551 3.0808 3.0817 3.3017 3.3112 3.6344 3.6465 3.8374 3.8410 4.0597 4.0605 4.1722 4.1740 7.2533 7.2540 7.9840 7.9867 8.6783 8.6786 9.3010 9.3018 k = 0.1000 0.0756 0.8293 ( 4742 PWs) bands (ev): -7.7901 -7.7900 -7.6958 -7.6956 -7.4933 -7.4932 -7.4266 -7.4262 -3.4578 -3.4476 -3.4362 -3.4349 -2.8172 -2.8042 -2.7825 -2.7781 -2.7486 -2.7456 -0.7225 -0.7207 -0.5580 -0.5553 0.2485 0.2581 1.2865 1.2977 1.9731 1.9853 2.3757 2.4122 3.0600 3.0610 3.2970 3.3092 3.6314 3.6473 3.8355 3.8395 4.0357 4.0358 4.1531 4.1549 7.2907 7.2917 8.0061 8.0092 8.6488 8.6491 9.3061 9.3070 k = 0.1167 0.0882 0.8293 ( 4742 PWs) bands (ev): -7.7900 -7.7899 -7.6958 -7.6956 -7.4935 -7.4934 -7.4267 -7.4262 -3.4584 -3.4467 -3.4364 -3.4349 -2.8182 -2.8031 -2.7827 -2.7772 -2.7499 -2.7462 -0.7070 -0.7047 -0.5527 -0.5495 0.2098 0.2205 1.2522 1.2641 2.0259 2.0410 2.4306 2.4720 3.0354 3.0364 3.2910 3.3065 3.6279 3.6486 3.8325 3.8367 4.0093 4.0108 4.1328 4.1346 7.3324 7.3338 8.0301 8.0337 8.6146 8.6148 9.3115 9.3126 k = 0.1333 0.1008 0.8293 ( 4726 PWs) bands (ev): -7.7898 -7.7897 -7.6958 -7.6955 -7.4937 -7.4936 -7.4268 -7.4262 -3.4589 -3.4458 -3.4367 -3.4350 -2.8192 -2.8021 -2.7830 -2.7763 -2.7512 -2.7468 -0.6901 -0.6873 -0.5471 -0.5435 0.1704 0.1820 1.2193 1.2317 2.0820 2.1002 2.4865 2.5329 3.0072 3.0081 3.2832 3.3027 3.6239 3.6505 3.8282 3.8317 3.9832 3.9863 4.1122 4.1137 7.3772 7.3791 8.0551 8.0590 8.5765 8.5766 9.3169 9.3182 k = 0.1500 0.1134 0.8293 ( 4738 PWs) bands (ev): -7.7897 -7.7896 -7.6958 -7.6955 -7.4939 -7.4938 -7.4269 -7.4262 -3.4593 -3.4449 -3.4371 -3.4350 -2.8200 -2.8010 -2.7833 -2.7753 -2.7525 -2.7474 -0.6726 -0.6690 -0.5416 -0.5374 0.1316 0.1441 1.1889 1.2017 2.1397 2.1614 2.5417 2.5932 2.9756 2.9767 3.2733 3.2979 3.6195 3.6534 3.8220 3.8233 3.9597 3.9642 4.0922 4.0933 7.4237 7.4262 8.0801 8.0842 8.5356 8.5357 9.3221 9.3236 k = 0.1667 0.1260 0.8293 ( 4742 PWs) bands (ev): -7.7896 -7.7895 -7.6957 -7.6954 -7.4941 -7.4940 -7.4269 -7.4263 -3.4597 -3.4440 -3.4375 -3.4350 -2.8207 -2.8001 -2.7837 -2.7743 -2.7539 -2.7480 -0.6551 -0.6507 -0.5364 -0.5317 0.0950 0.1082 1.1618 1.1749 2.1973 2.2230 2.5944 2.6506 2.9413 2.9434 3.2611 3.2921 3.6147 3.6574 3.8100 3.8138 3.9411 3.9461 4.0735 4.0740 7.4702 7.4734 8.1040 8.1081 8.4936 8.4937 9.3268 9.3285 k = 0.1833 0.1386 0.8293 ( 4740 PWs) bands (ev): -7.7894 -7.7893 -7.6957 -7.6954 -7.4942 -7.4941 -7.4270 -7.4263 -3.4600 -3.4432 -3.4379 -3.4351 -2.8214 -2.7992 -2.7840 -2.7732 -2.7553 -2.7485 -0.6385 -0.6332 -0.5317 -0.5264 0.0618 0.0758 1.1387 1.1520 2.2528 2.2832 2.6431 2.7017 2.9054 2.9106 3.2467 3.2855 3.6097 3.6629 3.7920 3.8040 3.9286 3.9329 4.0568 4.0569 7.5145 7.5185 8.1257 8.1294 8.4526 8.4530 9.3308 9.3328 k = 0.2000 0.1511 0.8293 ( 4730 PWs) bands (ev): -7.7893 -7.7892 -7.6957 -7.6953 -7.4943 -7.4942 -7.4271 -7.4263 -3.4602 -3.4425 -3.4383 -3.4351 -2.8219 -2.7985 -2.7843 -2.7722 -2.7565 -2.7490 -0.6239 -0.6176 -0.5278 -0.5219 0.0337 0.0484 1.1202 1.1336 2.3034 2.3394 2.6859 2.7402 2.8694 2.8843 3.2308 3.2787 3.6049 3.6704 3.7708 3.7940 3.9214 3.9242 4.0422 4.0431 7.5541 7.5589 8.1441 8.1471 8.4153 8.4161 9.3339 9.3361 k = 0.2167 0.1637 0.8293 ( 4734 PWs) bands (ev): -7.7893 -7.7892 -7.6957 -7.6953 -7.4944 -7.4943 -7.4271 -7.4263 -3.4604 -3.4418 -3.4388 -3.4351 -2.8223 -2.7979 -2.7846 -2.7714 -2.7576 -2.7493 -0.6123 -0.6052 -0.5249 -0.5184 0.0121 0.0273 1.1067 1.1201 2.3455 2.3878 2.7213 2.7558 2.8358 2.8748 3.2152 3.2725 3.6009 3.6802 3.7489 3.7855 3.9179 3.9191 4.0310 4.0327 7.5859 7.5914 8.1582 8.1602 8.3848 8.3863 9.3362 9.3386 k = 0.2333 0.1763 0.8293 ( 4740 PWs) bands (ev): -7.7892 -7.7891 -7.6956 -7.6953 -7.4945 -7.4944 -7.4271 -7.4263 -3.4605 -3.4412 -3.4392 -3.4351 -2.8225 -2.7975 -2.7848 -2.7708 -2.7583 -2.7495 -0.6049 -0.5972 -0.5231 -0.5162 -0.0016 0.0141 1.0985 1.1120 2.3742 2.4224 2.7486 2.7511 2.8074 2.8809 3.2032 3.2680 3.5982 3.6925 3.7284 3.7799 3.9165 3.9166 4.0240 4.0262 7.6067 7.6128 8.1672 8.1681 8.3645 8.3667 9.3375 9.3400 k = 0.2500 0.1889 0.8293 ( 4740 PWs) bands (ev): -7.7892 -7.7891 -7.6956 -7.6953 -7.4945 -7.4944 -7.4271 -7.4263 -3.4605 -3.4410 -3.4394 -3.4351 -2.8226 -2.7974 -2.7848 -2.7705 -2.7586 -2.7496 -0.6024 -0.5944 -0.5224 -0.5154 -0.0062 0.0095 1.0957 1.1092 2.3845 2.4353 2.7462 2.7632 2.7920 2.8856 3.1986 3.2664 3.5972 3.7035 3.7146 3.7779 3.9159 3.9162 4.0215 4.0240 7.6140 7.6203 8.1704 8.1707 8.3573 8.3599 9.3380 9.3405 Writing output data file Al2CdSe4.save init_run : 4.17s CPU 11.40s WALL ( 1 calls) electrons : 948.45s CPU 958.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.78s CPU 2.06s WALL ( 1 calls) Called by electrons: c_bands : 948.41s CPU 958.29s WALL ( 1 calls) v_of_rho : 0.20s CPU 1.05s WALL ( 1 calls) v_h : 0.02s CPU 0.03s WALL ( 1 calls) v_xc : 0.17s CPU 0.74s WALL ( 1 calls) newd : 0.96s CPU 1.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.18s WALL ( 275 calls) cegterg : 898.68s CPU 905.20s WALL ( 803 calls) Called by sum_band: Called by *egterg: h_psi : 541.91s CPU 552.90s WALL ( 14326 calls) s_psi : 25.29s CPU 25.86s WALL ( 14326 calls) g_psi : 0.69s CPU 0.74s WALL ( 13248 calls) cdiaghg : 253.40s CPU 250.23s WALL ( 13523 calls) cegterg:over : 55.64s CPU 53.08s WALL ( 13248 calls) cegterg:upda : 11.20s CPU 15.20s WALL ( 13248 calls) cegterg:last : 9.25s CPU 10.05s WALL ( 1978 calls) Called by h_psi: h_psi:vloc : 482.92s CPU 492.40s WALL ( 14326 calls) h_psi:vnl : 58.68s CPU 59.64s WALL ( 14326 calls) add_vuspsi : 17.49s CPU 22.26s WALL ( 14326 calls) General routines calbec : 41.12s CPU 37.22s WALL ( 14326 calls) fft : 0.38s CPU 1.54s WALL ( 19 calls) ffts : 0.22s CPU 0.27s WALL ( 4 calls) fftw : 384.65s CPU 389.07s WALL ( 1156760 calls) interpolate : 0.35s CPU 0.49s WALL ( 4 calls) davcio : 0.04s CPU 2.18s WALL ( 550 calls) Parallel routines fft_scatter : 234.45s CPU 233.76s WALL ( 1156783 calls) PWSCF : 16m39.33s CPU 17m48.73s WALL This run was terminated on: 0:18:59 23Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=