Program PWSCF v.5.1.1 starts on 23Oct2015 at 21:28: 4 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: ./Al2HgS4.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 98 40 11 3113 819 126 Max 100 41 12 3116 841 129 Sum 4713 1955 561 149491 39845 6105 bravais-lattice index = 14 lattice parameter (alat) = 12.1555 a.u. unit-cell volume = 1042.6585 (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 = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.155503 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.636043 celldm(5)= -0.636043 celldm(6)= 0.272086 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.272086 0.962273 0.000000 ) a(3) = ( -0.636043 -0.481136 0.603288 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.282754 0.828791 ) b(2) = ( 0.000000 1.039206 0.828791 ) b(3) = ( 0.000000 0.000000 1.657582 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 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 1279 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. # 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 S 6.00 32.06500 S( 1.00) Hg 12.00 200.59000 Hg( 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= 286 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 2) = ( 0.0000000 0.0000000 0.0202144), wk = 0.0034965 k( 3) = ( 0.0000000 0.0000000 0.0404288), wk = 0.0034965 k( 4) = ( 0.0000000 0.0000000 0.0606432), wk = 0.0034965 k( 5) = ( 0.0000000 0.0000000 0.0808577), wk = 0.0034965 k( 6) = ( 0.0000000 0.0000000 0.1010721), wk = 0.0034965 k( 7) = ( 0.0000000 0.0000000 0.1212865), wk = 0.0034965 k( 8) = ( 0.0000000 0.0000000 0.1415009), wk = 0.0034965 k( 9) = ( 0.0000000 0.0000000 0.1617153), wk = 0.0034965 k( 10) = ( 0.0000000 0.0000000 0.1819297), wk = 0.0034965 k( 11) = ( 0.0000000 0.0000000 0.2021441), wk = 0.0034965 k( 12) = ( 0.0000000 0.0000000 0.2223585), wk = 0.0034965 k( 13) = ( 0.0000000 0.0000000 0.2425730), wk = 0.0034965 k( 14) = ( 0.0000000 0.0000000 0.2627874), wk = 0.0034965 k( 15) = ( 0.0000000 0.0000000 0.2830018), wk = 0.0034965 k( 16) = ( 0.0000000 0.0000000 0.3032162), wk = 0.0034965 k( 17) = ( 0.0000000 0.0000000 0.3234306), wk = 0.0034965 k( 18) = ( 0.0000000 0.0000000 0.3436450), wk = 0.0034965 k( 19) = ( 0.0000000 0.0000000 0.3638595), wk = 0.0034965 k( 20) = ( 0.0000000 0.0000000 0.3840739), wk = 0.0034965 k( 21) = ( 0.0000000 0.0000000 0.4042883), wk = 0.0034965 k( 22) = ( 0.0000000 0.0000000 0.4245027), wk = 0.0034965 k( 23) = ( 0.0000000 0.0000000 0.4447171), wk = 0.0034965 k( 24) = ( 0.0000000 0.0000000 0.4649315), wk = 0.0034965 k( 25) = ( 0.0000000 0.0000000 0.4851459), wk = 0.0034965 k( 26) = ( 0.0000000 0.0000000 0.5053603), wk = 0.0034965 k( 27) = ( 0.0000000 0.0000000 0.5255748), wk = 0.0034965 k( 28) = ( 0.0000000 0.0000000 0.5457892), wk = 0.0034965 k( 29) = ( 0.0000000 0.0000000 0.5660036), wk = 0.0034965 k( 30) = ( 0.0000000 0.0000000 0.5862180), wk = 0.0034965 k( 31) = ( 0.0000000 0.0000000 0.6064324), wk = 0.0034965 k( 32) = ( 0.0000000 0.0000000 0.6266468), wk = 0.0034965 k( 33) = ( 0.0000000 0.0000000 0.6468612), wk = 0.0034965 k( 34) = ( 0.0000000 0.0000000 0.6670756), wk = 0.0034965 k( 35) = ( 0.0000000 0.0000000 0.6872901), wk = 0.0034965 k( 36) = ( 0.0000000 0.0000000 0.7075045), wk = 0.0034965 k( 37) = ( 0.0000000 0.0000000 0.7277189), wk = 0.0034965 k( 38) = ( 0.0000000 0.0000000 0.7479333), wk = 0.0034965 k( 39) = ( 0.0000000 0.0000000 0.7681477), wk = 0.0034965 k( 40) = ( 0.0000000 0.0000000 0.7883621), wk = 0.0034965 k( 41) = ( 0.0000000 0.0000000 0.8085765), wk = 0.0034965 k( 42) = ( 0.0000000 0.0000000 0.8287910), wk = 0.0034965 k( 43) = ( 0.0000000 0.0000000 0.8287910), wk = 0.0034965 k( 44) = ( -0.0119213 0.0157594 0.8287910), wk = 0.0034965 k( 45) = ( -0.0238425 0.0315189 0.8287910), wk = 0.0034965 k( 46) = ( -0.0357638 0.0472783 0.8287910), wk = 0.0034965 k( 47) = ( -0.0476850 0.0630377 0.8287910), wk = 0.0034965 k( 48) = ( -0.0596063 0.0787971 0.8287910), wk = 0.0034965 k( 49) = ( -0.0715276 0.0945566 0.8287910), wk = 0.0034965 k( 50) = ( -0.0834488 0.1103160 0.8287910), wk = 0.0034965 k( 51) = ( -0.0953701 0.1260754 0.8287910), wk = 0.0034965 k( 52) = ( -0.1072914 0.1418349 0.8287910), wk = 0.0034965 k( 53) = ( -0.1192126 0.1575943 0.8287910), wk = 0.0034965 k( 54) = ( -0.1311339 0.1733537 0.8287910), wk = 0.0034965 k( 55) = ( -0.1430551 0.1891132 0.8287910), wk = 0.0034965 k( 56) = ( -0.1430551 0.1891132 0.8287910), wk = 0.0034965 k( 57) = ( -0.1515538 0.2003481 0.8147037), wk = 0.0034965 k( 58) = ( -0.1600525 0.2115830 0.8006164), wk = 0.0034965 k( 59) = ( -0.1685512 0.2228179 0.7865291), wk = 0.0034965 k( 60) = ( -0.1770499 0.2340528 0.7724419), wk = 0.0034965 k( 61) = ( -0.1855486 0.2452878 0.7583546), wk = 0.0034965 k( 62) = ( -0.1940473 0.2565227 0.7442673), wk = 0.0034965 k( 63) = ( -0.2025460 0.2677576 0.7301801), wk = 0.0034965 k( 64) = ( -0.2110446 0.2789925 0.7160928), wk = 0.0034965 k( 65) = ( -0.2195433 0.2902275 0.7020055), wk = 0.0034965 k( 66) = ( -0.2280420 0.3014624 0.6879183), wk = 0.0034965 k( 67) = ( -0.2365407 0.3126973 0.6738310), wk = 0.0034965 k( 68) = ( -0.2450394 0.3239322 0.6597437), wk = 0.0034965 k( 69) = ( -0.2535381 0.3351672 0.6456565), wk = 0.0034965 k( 70) = ( -0.2620368 0.3464021 0.6315692), wk = 0.0034965 k( 71) = ( -0.2705355 0.3576370 0.6174819), wk = 0.0034965 k( 72) = ( -0.2790341 0.3688719 0.6033946), wk = 0.0034965 k( 73) = ( -0.2875328 0.3801069 0.5893074), wk = 0.0034965 k( 74) = ( -0.2960315 0.3913418 0.5752201), wk = 0.0034965 k( 75) = ( -0.3045302 0.4025767 0.5611328), wk = 0.0034965 k( 76) = ( -0.3130289 0.4138116 0.5470456), wk = 0.0034965 k( 77) = ( -0.3215276 0.4250465 0.5329583), wk = 0.0034965 k( 78) = ( -0.3215276 0.4250465 0.5329583), wk = 0.0034965 k( 79) = ( -0.3128376 0.4135588 0.5185540), wk = 0.0034965 k( 80) = ( -0.3041477 0.4020710 0.5041497), wk = 0.0034965 k( 81) = ( -0.2954578 0.3905833 0.4897455), wk = 0.0034965 k( 82) = ( -0.2867678 0.3790956 0.4753412), wk = 0.0034965 k( 83) = ( -0.2780779 0.3676078 0.4609369), wk = 0.0034965 k( 84) = ( -0.2693880 0.3561201 0.4465326), wk = 0.0034965 k( 85) = ( -0.2606980 0.3446323 0.4321283), wk = 0.0034965 k( 86) = ( -0.2520081 0.3331446 0.4177241), wk = 0.0034965 k( 87) = ( -0.2433182 0.3216568 0.4033198), wk = 0.0034965 k( 88) = ( -0.2346282 0.3101691 0.3889155), wk = 0.0034965 k( 89) = ( -0.2259383 0.2986813 0.3745112), wk = 0.0034965 k( 90) = ( -0.2172484 0.2871936 0.3601070), wk = 0.0034965 k( 91) = ( -0.2085584 0.2757059 0.3457027), wk = 0.0034965 k( 92) = ( -0.1998685 0.2642181 0.3312984), wk = 0.0034965 k( 93) = ( -0.1911786 0.2527304 0.3168941), wk = 0.0034965 k( 94) = ( -0.1824886 0.2412426 0.3024898), wk = 0.0034965 k( 95) = ( -0.1737987 0.2297549 0.2880856), wk = 0.0034965 k( 96) = ( -0.1651087 0.2182671 0.2736813), wk = 0.0034965 k( 97) = ( -0.1564188 0.2067794 0.2592770), wk = 0.0034965 k( 98) = ( -0.1477289 0.1952917 0.2448727), wk = 0.0034965 k( 99) = ( -0.1390389 0.1838039 0.2304684), wk = 0.0034965 k( 100) = ( -0.1303490 0.1723162 0.2160642), wk = 0.0034965 k( 101) = ( -0.1216591 0.1608284 0.2016599), wk = 0.0034965 k( 102) = ( -0.1129692 0.1493407 0.1872556), wk = 0.0034965 k( 103) = ( -0.1042792 0.1378529 0.1728513), wk = 0.0034965 k( 104) = ( -0.0955893 0.1263652 0.1584471), wk = 0.0034965 k( 105) = ( -0.0868993 0.1148774 0.1440428), wk = 0.0034965 k( 106) = ( -0.0782094 0.1033897 0.1296385), wk = 0.0034965 k( 107) = ( -0.0695195 0.0919020 0.1152342), wk = 0.0034965 k( 108) = ( -0.0608295 0.0804142 0.1008299), wk = 0.0034965 k( 109) = ( -0.0521396 0.0689265 0.0864257), wk = 0.0034965 k( 110) = ( -0.0434497 0.0574387 0.0720214), wk = 0.0034965 k( 111) = ( -0.0347597 0.0459510 0.0576171), wk = 0.0034965 k( 112) = ( -0.0260698 0.0344632 0.0432128), wk = 0.0034965 k( 113) = ( -0.0173799 0.0229755 0.0288086), wk = 0.0034965 k( 114) = ( -0.0086899 0.0114877 0.0144043), wk = 0.0034965 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 117) = ( 0.0161290 0.0122008 0.0000000), wk = 0.0034965 k( 118) = ( 0.0322581 0.0244017 0.0000000), wk = 0.0034965 k( 119) = ( 0.0483871 0.0366025 0.0000000), wk = 0.0034965 k( 120) = ( 0.0645161 0.0488034 0.0000000), wk = 0.0034965 k( 121) = ( 0.0806452 0.0610042 0.0000000), wk = 0.0034965 k( 122) = ( 0.0967742 0.0732051 0.0000000), wk = 0.0034965 k( 123) = ( 0.1129032 0.0854059 0.0000000), wk = 0.0034965 k( 124) = ( 0.1290323 0.0976068 0.0000000), wk = 0.0034965 k( 125) = ( 0.1451613 0.1098076 0.0000000), wk = 0.0034965 k( 126) = ( 0.1612903 0.1220085 0.0000000), wk = 0.0034965 k( 127) = ( 0.1774194 0.1342093 0.0000000), wk = 0.0034965 k( 128) = ( 0.1935484 0.1464102 0.0000000), wk = 0.0034965 k( 129) = ( 0.2096774 0.1586110 0.0000000), wk = 0.0034965 k( 130) = ( 0.2258064 0.1708119 0.0000000), wk = 0.0034965 k( 131) = ( 0.2419355 0.1830127 0.0000000), wk = 0.0034965 k( 132) = ( 0.2580645 0.1952136 0.0000000), wk = 0.0034965 k( 133) = ( 0.2741936 0.2074144 0.0000000), wk = 0.0034965 k( 134) = ( 0.2903226 0.2196153 0.0000000), wk = 0.0034965 k( 135) = ( 0.3064516 0.2318161 0.0000000), wk = 0.0034965 k( 136) = ( 0.3225807 0.2440170 0.0000000), wk = 0.0034965 k( 137) = ( 0.3387097 0.2562178 0.0000000), wk = 0.0034965 k( 138) = ( 0.3548387 0.2684187 0.0000000), wk = 0.0034965 k( 139) = ( 0.3709677 0.2806195 0.0000000), wk = 0.0034965 k( 140) = ( 0.3870968 0.2928204 0.0000000), wk = 0.0034965 k( 141) = ( 0.4032258 0.3050212 0.0000000), wk = 0.0034965 k( 142) = ( 0.4193548 0.3172221 0.0000000), wk = 0.0034965 k( 143) = ( 0.4354839 0.3294229 0.0000000), wk = 0.0034965 k( 144) = ( 0.4516129 0.3416238 0.0000000), wk = 0.0034965 k( 145) = ( 0.4677419 0.3538246 0.0000000), wk = 0.0034965 k( 146) = ( 0.4838710 0.3660255 0.0000000), wk = 0.0034965 k( 147) = ( 0.5000000 0.3782263 0.0000000), wk = 0.0034965 k( 148) = ( 0.5000000 0.3782263 0.0000000), wk = 0.0034965 k( 149) = ( 0.4915013 0.3894612 0.0140873), wk = 0.0034965 k( 150) = ( 0.4830026 0.4006962 0.0281745), wk = 0.0034965 k( 151) = ( 0.4745039 0.4119311 0.0422618), wk = 0.0034965 k( 152) = ( 0.4660052 0.4231660 0.0563491), wk = 0.0034965 k( 153) = ( 0.4575066 0.4344009 0.0704363), wk = 0.0034965 k( 154) = ( 0.4490079 0.4456359 0.0845236), wk = 0.0034965 k( 155) = ( 0.4405092 0.4568708 0.0986109), wk = 0.0034965 k( 156) = ( 0.4320105 0.4681057 0.1126982), wk = 0.0034965 k( 157) = ( 0.4235118 0.4793406 0.1267854), wk = 0.0034965 k( 158) = ( 0.4150131 0.4905755 0.1408727), wk = 0.0034965 k( 159) = ( 0.4065144 0.5018105 0.1549600), wk = 0.0034965 k( 160) = ( 0.3980158 0.5130454 0.1690472), wk = 0.0034965 k( 161) = ( 0.3895171 0.5242803 0.1831345), wk = 0.0034965 k( 162) = ( 0.3810184 0.5355152 0.1972218), wk = 0.0034965 k( 163) = ( 0.3725197 0.5467502 0.2113090), wk = 0.0034965 k( 164) = ( 0.3640210 0.5579851 0.2253963), wk = 0.0034965 k( 165) = ( 0.3555223 0.5692200 0.2394836), wk = 0.0034965 k( 166) = ( 0.3470236 0.5804549 0.2535709), wk = 0.0034965 k( 167) = ( 0.3385249 0.5916898 0.2676581), wk = 0.0034965 k( 168) = ( 0.3300263 0.6029248 0.2817454), wk = 0.0034965 k( 169) = ( 0.3215276 0.6141597 0.2958327), wk = 0.0034965 k( 170) = ( 0.3215276 0.6141597 0.2958327), wk = 0.0034965 k( 171) = ( 0.3036649 0.6089066 0.3024195), wk = 0.0034965 k( 172) = ( 0.2858023 0.6036534 0.3090063), wk = 0.0034965 k( 173) = ( 0.2679396 0.5984003 0.3155931), wk = 0.0034965 k( 174) = ( 0.2500770 0.5931471 0.3221800), wk = 0.0034965 k( 175) = ( 0.2322144 0.5878940 0.3287668), wk = 0.0034965 k( 176) = ( 0.2143517 0.5826408 0.3353536), wk = 0.0034965 k( 177) = ( 0.1964891 0.5773877 0.3419404), wk = 0.0034965 k( 178) = ( 0.1786264 0.5721346 0.3485273), wk = 0.0034965 k( 179) = ( 0.1607638 0.5668814 0.3551141), wk = 0.0034965 k( 180) = ( 0.1429011 0.5616283 0.3617009), wk = 0.0034965 k( 181) = ( 0.1250385 0.5563751 0.3682877), wk = 0.0034965 k( 182) = ( 0.1071759 0.5511220 0.3748745), wk = 0.0034965 k( 183) = ( 0.0893132 0.5458688 0.3814614), wk = 0.0034965 k( 184) = ( 0.0714506 0.5406157 0.3880482), wk = 0.0034965 k( 185) = ( 0.0535879 0.5353625 0.3946350), wk = 0.0034965 k( 186) = ( 0.0357253 0.5301094 0.4012218), wk = 0.0034965 k( 187) = ( 0.0178626 0.5248563 0.4078087), wk = 0.0034965 k( 188) = ( 0.0000000 0.5196031 0.4143955), wk = 0.0034965 k( 189) = ( 0.0000000 0.5196031 0.4143955), wk = 0.0034965 k( 190) = ( 0.0086207 0.5082069 0.4286850), wk = 0.0034965 k( 191) = ( 0.0172414 0.4968107 0.4429745), wk = 0.0034965 k( 192) = ( 0.0258621 0.4854145 0.4572640), wk = 0.0034965 k( 193) = ( 0.0344828 0.4740183 0.4715535), wk = 0.0034965 k( 194) = ( 0.0431035 0.4626221 0.4858430), wk = 0.0034965 k( 195) = ( 0.0517241 0.4512259 0.5001325), wk = 0.0034965 k( 196) = ( 0.0603448 0.4398297 0.5144220), wk = 0.0034965 k( 197) = ( 0.0689655 0.4284335 0.5287115), wk = 0.0034965 k( 198) = ( 0.0775862 0.4170373 0.5430010), wk = 0.0034965 k( 199) = ( 0.0862069 0.4056411 0.5572905), wk = 0.0034965 k( 200) = ( 0.0948276 0.3942449 0.5715800), wk = 0.0034965 k( 201) = ( 0.1034483 0.3828486 0.5858695), wk = 0.0034965 k( 202) = ( 0.1120690 0.3714524 0.6001590), wk = 0.0034965 k( 203) = ( 0.1206897 0.3600562 0.6144485), wk = 0.0034965 k( 204) = ( 0.1293103 0.3486600 0.6287380), wk = 0.0034965 k( 205) = ( 0.1379310 0.3372638 0.6430275), wk = 0.0034965 k( 206) = ( 0.1465517 0.3258676 0.6573170), wk = 0.0034965 k( 207) = ( 0.1551724 0.3144714 0.6716065), wk = 0.0034965 k( 208) = ( 0.1637931 0.3030752 0.6858960), wk = 0.0034965 k( 209) = ( 0.1724138 0.2916790 0.7001855), wk = 0.0034965 k( 210) = ( 0.1810345 0.2802828 0.7144750), wk = 0.0034965 k( 211) = ( 0.1896552 0.2688866 0.7287645), wk = 0.0034965 k( 212) = ( 0.1982759 0.2574904 0.7430540), wk = 0.0034965 k( 213) = ( 0.2068966 0.2460942 0.7573435), wk = 0.0034965 k( 214) = ( 0.2155172 0.2346980 0.7716330), wk = 0.0034965 k( 215) = ( 0.2241379 0.2233018 0.7859225), wk = 0.0034965 k( 216) = ( 0.2327586 0.2119056 0.8002120), wk = 0.0034965 k( 217) = ( 0.2413793 0.2005094 0.8145015), wk = 0.0034965 k( 218) = ( 0.2500000 0.1891132 0.8287910), wk = 0.0034965 k( 219) = ( 0.2500000 0.1891132 0.8287910), wk = 0.0034965 k( 220) = ( 0.2625000 0.1985688 0.8169347), wk = 0.0034965 k( 221) = ( 0.2750000 0.2080245 0.8050784), wk = 0.0034965 k( 222) = ( 0.2875000 0.2174801 0.7932221), wk = 0.0034965 k( 223) = ( 0.3000000 0.2269358 0.7813658), wk = 0.0034965 k( 224) = ( 0.3125000 0.2363914 0.7695095), wk = 0.0034965 k( 225) = ( 0.3250000 0.2458471 0.7576533), wk = 0.0034965 k( 226) = ( 0.3375000 0.2553028 0.7457970), wk = 0.0034965 k( 227) = ( 0.3500000 0.2647584 0.7339407), wk = 0.0034965 k( 228) = ( 0.3625000 0.2742141 0.7220844), wk = 0.0034965 k( 229) = ( 0.3750000 0.2836697 0.7102282), wk = 0.0034965 k( 230) = ( 0.3875000 0.2931254 0.6983719), wk = 0.0034965 k( 231) = ( 0.4000000 0.3025811 0.6865156), wk = 0.0034965 k( 232) = ( 0.4125000 0.3120367 0.6746593), wk = 0.0034965 k( 233) = ( 0.4250000 0.3214924 0.6628030), wk = 0.0034965 k( 234) = ( 0.4375000 0.3309480 0.6509467), wk = 0.0034965 k( 235) = ( 0.4500000 0.3404037 0.6390905), wk = 0.0034965 k( 236) = ( 0.4625000 0.3498593 0.6272342), wk = 0.0034965 k( 237) = ( 0.4750000 0.3593150 0.6153779), wk = 0.0034965 k( 238) = ( 0.4875000 0.3687707 0.6035216), wk = 0.0034965 k( 239) = ( 0.5000000 0.3782263 0.5916653), wk = 0.0034965 k( 240) = ( 0.5000000 0.3782263 0.5916653), wk = 0.0034965 k( 241) = ( 0.5000000 0.3782263 0.5712631), wk = 0.0034965 k( 242) = ( 0.5000000 0.3782263 0.5508608), wk = 0.0034965 k( 243) = ( 0.5000000 0.3782263 0.5304586), wk = 0.0034965 k( 244) = ( 0.5000000 0.3782263 0.5100563), wk = 0.0034965 k( 245) = ( 0.5000000 0.3782263 0.4896541), wk = 0.0034965 k( 246) = ( 0.5000000 0.3782263 0.4692518), wk = 0.0034965 k( 247) = ( 0.5000000 0.3782263 0.4488496), wk = 0.0034965 k( 248) = ( 0.5000000 0.3782263 0.4284473), wk = 0.0034965 k( 249) = ( 0.5000000 0.3782263 0.4080451), wk = 0.0034965 k( 250) = ( 0.5000000 0.3782263 0.3876428), wk = 0.0034965 k( 251) = ( 0.5000000 0.3782263 0.3672406), wk = 0.0034965 k( 252) = ( 0.5000000 0.3782263 0.3468383), wk = 0.0034965 k( 253) = ( 0.5000000 0.3782263 0.3264360), wk = 0.0034965 k( 254) = ( 0.5000000 0.3782263 0.3060338), wk = 0.0034965 k( 255) = ( 0.5000000 0.3782263 0.2856315), wk = 0.0034965 k( 256) = ( 0.5000000 0.3782263 0.2652293), wk = 0.0034965 k( 257) = ( 0.5000000 0.3782263 0.2448270), wk = 0.0034965 k( 258) = ( 0.5000000 0.3782263 0.2244248), wk = 0.0034965 k( 259) = ( 0.5000000 0.3782263 0.2040225), wk = 0.0034965 k( 260) = ( 0.5000000 0.3782263 0.1836203), wk = 0.0034965 k( 261) = ( 0.5000000 0.3782263 0.1632180), wk = 0.0034965 k( 262) = ( 0.5000000 0.3782263 0.1428158), wk = 0.0034965 k( 263) = ( 0.5000000 0.3782263 0.1224135), wk = 0.0034965 k( 264) = ( 0.5000000 0.3782263 0.1020113), wk = 0.0034965 k( 265) = ( 0.5000000 0.3782263 0.0816090), wk = 0.0034965 k( 266) = ( 0.5000000 0.3782263 0.0612068), wk = 0.0034965 k( 267) = ( 0.5000000 0.3782263 0.0408045), wk = 0.0034965 k( 268) = ( 0.5000000 0.3782263 0.0204022), wk = 0.0034965 k( 269) = ( 0.5000000 0.3782263 0.0000000), wk = 0.0034965 k( 270) = ( 0.0000000 0.0000000 0.8287910), wk = 0.0034965 k( 271) = ( 0.0156250 0.0118196 0.8287910), wk = 0.0034965 k( 272) = ( 0.0312500 0.0236391 0.8287910), wk = 0.0034965 k( 273) = ( 0.0468750 0.0354587 0.8287910), wk = 0.0034965 k( 274) = ( 0.0625000 0.0472783 0.8287910), wk = 0.0034965 k( 275) = ( 0.0781250 0.0590979 0.8287910), wk = 0.0034965 k( 276) = ( 0.0937500 0.0709174 0.8287910), wk = 0.0034965 k( 277) = ( 0.1093750 0.0827370 0.8287910), wk = 0.0034965 k( 278) = ( 0.1250000 0.0945566 0.8287910), wk = 0.0034965 k( 279) = ( 0.1406250 0.1063762 0.8287910), wk = 0.0034965 k( 280) = ( 0.1562500 0.1181957 0.8287910), wk = 0.0034965 k( 281) = ( 0.1718750 0.1300153 0.8287910), wk = 0.0034965 k( 282) = ( 0.1875000 0.1418349 0.8287910), wk = 0.0034965 k( 283) = ( 0.2031250 0.1536544 0.8287910), wk = 0.0034965 k( 284) = ( 0.2187500 0.1654740 0.8287910), wk = 0.0034965 k( 285) = ( 0.2343750 0.1772936 0.8287910), wk = 0.0034965 k( 286) = ( 0.2500000 0.1891132 0.8287910), wk = 0.0034965 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 2) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0034965 k( 3) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0034965 k( 4) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0034965 k( 5) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0034965 k( 6) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0034965 k( 7) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0034965 k( 8) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0034965 k( 9) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0034965 k( 10) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0034965 k( 11) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0034965 k( 12) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0034965 k( 13) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0034965 k( 14) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0034965 k( 15) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0034965 k( 16) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0034965 k( 17) = ( 0.0000000 0.0000000 0.1951219), wk = 0.0034965 k( 18) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0034965 k( 19) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0034965 k( 20) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0034965 k( 21) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0034965 k( 22) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0034965 k( 23) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0034965 k( 24) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0034965 k( 25) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0034965 k( 26) = ( 0.0000000 0.0000000 0.3048781), wk = 0.0034965 k( 27) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0034965 k( 28) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0034965 k( 29) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0034965 k( 30) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0034965 k( 31) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0034965 k( 32) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0034965 k( 33) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0034965 k( 34) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0034965 k( 35) = ( 0.0000000 0.0000000 0.4146341), wk = 0.0034965 k( 36) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0034965 k( 37) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0034965 k( 38) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0034965 k( 39) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0034965 k( 40) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0034965 k( 41) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0034965 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034965 k( 43) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034965 k( 44) = ( -0.0119213 0.0119213 0.5000000), wk = 0.0034965 k( 45) = ( -0.0238425 0.0238425 0.5000000), wk = 0.0034965 k( 46) = ( -0.0357638 0.0357638 0.5000000), wk = 0.0034965 k( 47) = ( -0.0476850 0.0476850 0.5000000), wk = 0.0034965 k( 48) = ( -0.0596063 0.0596063 0.5000000), wk = 0.0034965 k( 49) = ( -0.0715276 0.0715276 0.5000000), wk = 0.0034965 k( 50) = ( -0.0834488 0.0834488 0.5000000), wk = 0.0034965 k( 51) = ( -0.0953701 0.0953701 0.5000000), wk = 0.0034965 k( 52) = ( -0.1072914 0.1072914 0.5000000), wk = 0.0034965 k( 53) = ( -0.1192126 0.1192126 0.5000000), wk = 0.0034965 k( 54) = ( -0.1311339 0.1311339 0.5000000), wk = 0.0034965 k( 55) = ( -0.1430551 0.1430551 0.5000000), wk = 0.0034965 k( 56) = ( -0.1430551 0.1430551 0.5000000), wk = 0.0034965 k( 57) = ( -0.1515538 0.1515538 0.4915013), wk = 0.0034965 k( 58) = ( -0.1600525 0.1600525 0.4830026), wk = 0.0034965 k( 59) = ( -0.1685512 0.1685512 0.4745039), wk = 0.0034965 k( 60) = ( -0.1770499 0.1770499 0.4660052), wk = 0.0034965 k( 61) = ( -0.1855486 0.1855486 0.4575066), wk = 0.0034965 k( 62) = ( -0.1940473 0.1940473 0.4490079), wk = 0.0034965 k( 63) = ( -0.2025460 0.2025460 0.4405092), wk = 0.0034965 k( 64) = ( -0.2110446 0.2110446 0.4320105), wk = 0.0034965 k( 65) = ( -0.2195433 0.2195433 0.4235118), wk = 0.0034965 k( 66) = ( -0.2280420 0.2280420 0.4150131), wk = 0.0034965 k( 67) = ( -0.2365407 0.2365407 0.4065144), wk = 0.0034965 k( 68) = ( -0.2450394 0.2450394 0.3980158), wk = 0.0034965 k( 69) = ( -0.2535381 0.2535381 0.3895171), wk = 0.0034965 k( 70) = ( -0.2620368 0.2620368 0.3810184), wk = 0.0034965 k( 71) = ( -0.2705355 0.2705355 0.3725197), wk = 0.0034965 k( 72) = ( -0.2790341 0.2790341 0.3640210), wk = 0.0034965 k( 73) = ( -0.2875328 0.2875328 0.3555223), wk = 0.0034965 k( 74) = ( -0.2960315 0.2960315 0.3470236), wk = 0.0034965 k( 75) = ( -0.3045302 0.3045302 0.3385249), wk = 0.0034965 k( 76) = ( -0.3130289 0.3130289 0.3300263), wk = 0.0034965 k( 77) = ( -0.3215276 0.3215276 0.3215276), wk = 0.0034965 k( 78) = ( -0.3215276 0.3215276 0.3215276), wk = 0.0034965 k( 79) = ( -0.3128376 0.3128376 0.3128376), wk = 0.0034965 k( 80) = ( -0.3041477 0.3041477 0.3041477), wk = 0.0034965 k( 81) = ( -0.2954578 0.2954578 0.2954578), wk = 0.0034965 k( 82) = ( -0.2867678 0.2867678 0.2867678), wk = 0.0034965 k( 83) = ( -0.2780779 0.2780779 0.2780779), wk = 0.0034965 k( 84) = ( -0.2693880 0.2693880 0.2693880), wk = 0.0034965 k( 85) = ( -0.2606980 0.2606980 0.2606980), wk = 0.0034965 k( 86) = ( -0.2520081 0.2520081 0.2520081), wk = 0.0034965 k( 87) = ( -0.2433182 0.2433182 0.2433182), wk = 0.0034965 k( 88) = ( -0.2346282 0.2346282 0.2346282), wk = 0.0034965 k( 89) = ( -0.2259383 0.2259383 0.2259383), wk = 0.0034965 k( 90) = ( -0.2172484 0.2172484 0.2172484), wk = 0.0034965 k( 91) = ( -0.2085584 0.2085584 0.2085584), wk = 0.0034965 k( 92) = ( -0.1998685 0.1998685 0.1998685), wk = 0.0034965 k( 93) = ( -0.1911786 0.1911786 0.1911786), wk = 0.0034965 k( 94) = ( -0.1824886 0.1824886 0.1824886), wk = 0.0034965 k( 95) = ( -0.1737987 0.1737987 0.1737987), wk = 0.0034965 k( 96) = ( -0.1651087 0.1651087 0.1651087), wk = 0.0034965 k( 97) = ( -0.1564188 0.1564188 0.1564188), wk = 0.0034965 k( 98) = ( -0.1477289 0.1477289 0.1477289), wk = 0.0034965 k( 99) = ( -0.1390389 0.1390389 0.1390389), wk = 0.0034965 k( 100) = ( -0.1303490 0.1303490 0.1303490), wk = 0.0034965 k( 101) = ( -0.1216591 0.1216591 0.1216591), wk = 0.0034965 k( 102) = ( -0.1129692 0.1129692 0.1129691), wk = 0.0034965 k( 103) = ( -0.1042792 0.1042792 0.1042792), wk = 0.0034965 k( 104) = ( -0.0955893 0.0955893 0.0955893), wk = 0.0034965 k( 105) = ( -0.0868993 0.0868993 0.0868993), wk = 0.0034965 k( 106) = ( -0.0782094 0.0782094 0.0782094), wk = 0.0034965 k( 107) = ( -0.0695195 0.0695195 0.0695195), wk = 0.0034965 k( 108) = ( -0.0608295 0.0608295 0.0608295), wk = 0.0034965 k( 109) = ( -0.0521396 0.0521396 0.0521396), wk = 0.0034965 k( 110) = ( -0.0434497 0.0434497 0.0434497), wk = 0.0034965 k( 111) = ( -0.0347597 0.0347597 0.0347597), wk = 0.0034965 k( 112) = ( -0.0260698 0.0260698 0.0260698), wk = 0.0034965 k( 113) = ( -0.0173799 0.0173799 0.0173799), wk = 0.0034965 k( 114) = ( -0.0086899 0.0086899 0.0086899), wk = 0.0034965 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 117) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0034965 k( 118) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0034965 k( 119) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0034965 k( 120) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0034965 k( 121) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0034965 k( 122) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0034965 k( 123) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0034965 k( 124) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0034965 k( 125) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0034965 k( 126) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0034965 k( 127) = ( 0.1774194 0.1774194 -0.1774194), wk = 0.0034965 k( 128) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0034965 k( 129) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0034965 k( 130) = ( 0.2258064 0.2258064 -0.2258065), wk = 0.0034965 k( 131) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0034965 k( 132) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0034965 k( 133) = ( 0.2741936 0.2741936 -0.2741936), wk = 0.0034965 k( 134) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0034965 k( 135) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0034965 k( 136) = ( 0.3225807 0.3225807 -0.3225807), wk = 0.0034965 k( 137) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0034965 k( 138) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0034965 k( 139) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0034965 k( 140) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0034965 k( 141) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0034965 k( 142) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0034965 k( 143) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0034965 k( 144) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0034965 k( 145) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0034965 k( 146) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0034965 k( 147) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034965 k( 148) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034965 k( 149) = ( 0.4915013 0.5084987 -0.4915013), wk = 0.0034965 k( 150) = ( 0.4830026 0.5169974 -0.4830026), wk = 0.0034965 k( 151) = ( 0.4745039 0.5254961 -0.4745039), wk = 0.0034965 k( 152) = ( 0.4660052 0.5339947 -0.4660052), wk = 0.0034965 k( 153) = ( 0.4575066 0.5424934 -0.4575066), wk = 0.0034965 k( 154) = ( 0.4490079 0.5509921 -0.4490079), wk = 0.0034965 k( 155) = ( 0.4405092 0.5594908 -0.4405092), wk = 0.0034965 k( 156) = ( 0.4320105 0.5679895 -0.4320105), wk = 0.0034965 k( 157) = ( 0.4235118 0.5764882 -0.4235118), wk = 0.0034965 k( 158) = ( 0.4150131 0.5849869 -0.4150131), wk = 0.0034965 k( 159) = ( 0.4065144 0.5934856 -0.4065144), wk = 0.0034965 k( 160) = ( 0.3980158 0.6019842 -0.3980158), wk = 0.0034965 k( 161) = ( 0.3895171 0.6104829 -0.3895171), wk = 0.0034965 k( 162) = ( 0.3810184 0.6189816 -0.3810184), wk = 0.0034965 k( 163) = ( 0.3725197 0.6274803 -0.3725197), wk = 0.0034965 k( 164) = ( 0.3640210 0.6359790 -0.3640210), wk = 0.0034965 k( 165) = ( 0.3555223 0.6444777 -0.3555223), wk = 0.0034965 k( 166) = ( 0.3470236 0.6529764 -0.3470236), wk = 0.0034965 k( 167) = ( 0.3385249 0.6614750 -0.3385249), wk = 0.0034965 k( 168) = ( 0.3300263 0.6699737 -0.3300263), wk = 0.0034965 k( 169) = ( 0.3215276 0.6784724 -0.3215276), wk = 0.0034965 k( 170) = ( 0.3215276 0.6784724 -0.3215276), wk = 0.0034965 k( 171) = ( 0.3036649 0.6685573 -0.3036649), wk = 0.0034965 k( 172) = ( 0.2858023 0.6586422 -0.2858023), wk = 0.0034965 k( 173) = ( 0.2679396 0.6487270 -0.2679396), wk = 0.0034965 k( 174) = ( 0.2500770 0.6388119 -0.2500770), wk = 0.0034965 k( 175) = ( 0.2322144 0.6288967 -0.2322144), wk = 0.0034965 k( 176) = ( 0.2143517 0.6189816 -0.2143517), wk = 0.0034965 k( 177) = ( 0.1964891 0.6090665 -0.1964891), wk = 0.0034965 k( 178) = ( 0.1786264 0.5991513 -0.1786264), wk = 0.0034965 k( 179) = ( 0.1607638 0.5892362 -0.1607638), wk = 0.0034965 k( 180) = ( 0.1429011 0.5793211 -0.1429011), wk = 0.0034965 k( 181) = ( 0.1250385 0.5694059 -0.1250385), wk = 0.0034965 k( 182) = ( 0.1071759 0.5594908 -0.1071759), wk = 0.0034965 k( 183) = ( 0.0893132 0.5495757 -0.0893132), wk = 0.0034965 k( 184) = ( 0.0714506 0.5396605 -0.0714506), wk = 0.0034965 k( 185) = ( 0.0535879 0.5297454 -0.0535879), wk = 0.0034965 k( 186) = ( 0.0357253 0.5198303 -0.0357253), wk = 0.0034965 k( 187) = ( 0.0178626 0.5099151 -0.0178626), wk = 0.0034965 k( 188) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034965 k( 189) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034965 k( 190) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0034965 k( 191) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0034965 k( 192) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0034965 k( 193) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0034965 k( 194) = ( 0.0431035 0.4568965 0.0431034), wk = 0.0034965 k( 195) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0034965 k( 196) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0034965 k( 197) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0034965 k( 198) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0034965 k( 199) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0034965 k( 200) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0034965 k( 201) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0034965 k( 202) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0034965 k( 203) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0034965 k( 204) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0034965 k( 205) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0034965 k( 206) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0034965 k( 207) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0034965 k( 208) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0034965 k( 209) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0034965 k( 210) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0034965 k( 211) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0034965 k( 212) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0034965 k( 213) = ( 0.2068966 0.2931034 0.2068966), wk = 0.0034965 k( 214) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0034965 k( 215) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0034965 k( 216) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0034965 k( 217) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0034965 k( 218) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034965 k( 219) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034965 k( 220) = ( 0.2625000 0.2625000 0.2303472), wk = 0.0034965 k( 221) = ( 0.2750000 0.2750000 0.2106945), wk = 0.0034965 k( 222) = ( 0.2875000 0.2875000 0.1910417), wk = 0.0034965 k( 223) = ( 0.3000000 0.3000000 0.1713890), wk = 0.0034965 k( 224) = ( 0.3125000 0.3125000 0.1517362), wk = 0.0034965 k( 225) = ( 0.3250000 0.3250000 0.1320835), wk = 0.0034965 k( 226) = ( 0.3375000 0.3375000 0.1124307), wk = 0.0034965 k( 227) = ( 0.3500000 0.3500000 0.0927779), wk = 0.0034965 k( 228) = ( 0.3625000 0.3625000 0.0731252), wk = 0.0034965 k( 229) = ( 0.3750000 0.3750000 0.0534724), wk = 0.0034965 k( 230) = ( 0.3875000 0.3875000 0.0338197), wk = 0.0034965 k( 231) = ( 0.4000000 0.4000000 0.0141669), wk = 0.0034965 k( 232) = ( 0.4125000 0.4125000 -0.0054859), wk = 0.0034965 k( 233) = ( 0.4250000 0.4250000 -0.0251386), wk = 0.0034965 k( 234) = ( 0.4375000 0.4375000 -0.0447914), wk = 0.0034965 k( 235) = ( 0.4500000 0.4500000 -0.0644441), wk = 0.0034965 k( 236) = ( 0.4625000 0.4625000 -0.0840969), wk = 0.0034965 k( 237) = ( 0.4750000 0.4750000 -0.1037496), wk = 0.0034965 k( 238) = ( 0.4875000 0.4875000 -0.1234024), wk = 0.0034965 k( 239) = ( 0.5000000 0.5000000 -0.1430552), wk = 0.0034965 k( 240) = ( 0.5000000 0.5000000 -0.1430552), wk = 0.0034965 k( 241) = ( 0.5000000 0.5000000 -0.1553636), wk = 0.0034965 k( 242) = ( 0.5000000 0.5000000 -0.1676720), wk = 0.0034965 k( 243) = ( 0.5000000 0.5000000 -0.1799805), wk = 0.0034965 k( 244) = ( 0.5000000 0.5000000 -0.1922889), wk = 0.0034965 k( 245) = ( 0.5000000 0.5000000 -0.2045974), wk = 0.0034965 k( 246) = ( 0.5000000 0.5000000 -0.2169058), wk = 0.0034965 k( 247) = ( 0.5000000 0.5000000 -0.2292143), wk = 0.0034965 k( 248) = ( 0.5000000 0.5000000 -0.2415227), wk = 0.0034965 k( 249) = ( 0.5000000 0.5000000 -0.2538311), wk = 0.0034965 k( 250) = ( 0.5000000 0.5000000 -0.2661396), wk = 0.0034965 k( 251) = ( 0.5000000 0.5000000 -0.2784480), wk = 0.0034965 k( 252) = ( 0.5000000 0.5000000 -0.2907565), wk = 0.0034965 k( 253) = ( 0.5000000 0.5000000 -0.3030649), wk = 0.0034965 k( 254) = ( 0.5000000 0.5000000 -0.3153733), wk = 0.0034965 k( 255) = ( 0.5000000 0.5000000 -0.3276818), wk = 0.0034965 k( 256) = ( 0.5000000 0.5000000 -0.3399902), wk = 0.0034965 k( 257) = ( 0.5000000 0.5000000 -0.3522987), wk = 0.0034965 k( 258) = ( 0.5000000 0.5000000 -0.3646071), wk = 0.0034965 k( 259) = ( 0.5000000 0.5000000 -0.3769156), wk = 0.0034965 k( 260) = ( 0.5000000 0.5000000 -0.3892240), wk = 0.0034965 k( 261) = ( 0.5000000 0.5000000 -0.4015325), wk = 0.0034965 k( 262) = ( 0.5000000 0.5000000 -0.4138409), wk = 0.0034965 k( 263) = ( 0.5000000 0.5000000 -0.4261493), wk = 0.0034965 k( 264) = ( 0.5000000 0.5000000 -0.4384578), wk = 0.0034965 k( 265) = ( 0.5000000 0.5000000 -0.4507662), wk = 0.0034965 k( 266) = ( 0.5000000 0.5000000 -0.4630747), wk = 0.0034965 k( 267) = ( 0.5000000 0.5000000 -0.4753831), wk = 0.0034965 k( 268) = ( 0.5000000 0.5000000 -0.4876916), wk = 0.0034965 k( 269) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034965 k( 270) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034965 k( 271) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0034965 k( 272) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0034965 k( 273) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0034965 k( 274) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0034965 k( 275) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0034965 k( 276) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0034965 k( 277) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0034965 k( 278) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0034965 k( 279) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0034965 k( 280) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0034965 k( 281) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0034965 k( 282) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0034965 k( 283) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0034965 k( 284) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0034965 k( 285) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0034965 k( 286) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034965 Dense grid: 149491 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 39845 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 212, 50) NL pseudopotentials 0.38 Mb ( 106, 238) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.02 Mb ( 3115) G-vector shells 0.01 Mb ( 1469) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.65 Mb ( 212, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.36 Mb ( 238, 2, 50) The potential is recalculated from file : ./Al2HgS4.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 50.0 secs Computing kpt #: 2 total cpu time spent up to now is 54.4 secs Computing kpt #: 3 total cpu time spent up to now is 58.7 secs Computing kpt #: 4 total cpu time spent up to now is 63.1 secs Computing kpt #: 5 total cpu time spent up to now is 67.3 secs Computing kpt #: 6 total cpu time spent up to now is 71.5 secs Computing kpt #: 7 total cpu time spent up to now is 75.7 secs Computing kpt #: 8 total cpu time spent up to now is 80.0 secs Computing kpt #: 9 total cpu time spent up to now is 84.1 secs Computing kpt #: 10 total cpu time spent up to now is 88.1 secs Computing kpt #: 11 total cpu time spent up to now is 92.2 secs Computing kpt #: 12 total cpu time spent up to now is 96.1 secs Computing kpt #: 13 total cpu time spent up to now is 99.9 secs Computing kpt #: 14 total cpu time spent up to now is 103.8 secs Computing kpt #: 15 total cpu time spent up to now is 107.8 secs Computing kpt #: 16 total cpu time spent up to now is 111.9 secs Computing kpt #: 17 total cpu time spent up to now is 115.7 secs Computing kpt #: 18 total cpu time spent up to now is 119.5 secs Computing kpt #: 19 total cpu time spent up to now is 123.4 secs Computing kpt #: 20 total cpu time spent up to now is 127.3 secs Computing kpt #: 21 total cpu time spent up to now is 131.2 secs Computing kpt #: 22 total cpu time spent up to now is 135.1 secs Computing kpt #: 23 total cpu time spent up to now is 138.9 secs Computing kpt #: 24 total cpu time spent up to now is 142.8 secs Computing kpt #: 25 total cpu time spent up to now is 147.0 secs Computing kpt #: 26 total cpu time spent up to now is 150.8 secs Computing kpt #: 27 total cpu time spent up to now is 154.6 secs Computing kpt #: 28 total cpu time spent up to now is 158.4 secs Computing kpt #: 29 total cpu time spent up to now is 162.1 secs Computing kpt #: 30 total cpu time spent up to now is 165.8 secs Computing kpt #: 31 total cpu time spent up to now is 169.4 secs Computing kpt #: 32 total cpu time spent up to now is 173.0 secs Computing kpt #: 33 total cpu time spent up to now is 176.7 secs Computing kpt #: 34 total cpu time spent up to now is 180.3 secs Computing kpt #: 35 total cpu time spent up to now is 184.0 secs Computing kpt #: 36 total cpu time spent up to now is 187.6 secs Computing kpt #: 37 total cpu time spent up to now is 191.3 secs Computing kpt #: 38 total cpu time spent up to now is 195.0 secs Computing kpt #: 39 total cpu time spent up to now is 198.7 secs Computing kpt #: 40 total cpu time spent up to now is 202.4 secs Computing kpt #: 41 total cpu time spent up to now is 206.1 secs Computing kpt #: 42 total cpu time spent up to now is 211.6 secs Computing kpt #: 43 total cpu time spent up to now is 216.2 secs Computing kpt #: 44 total cpu time spent up to now is 219.9 secs Computing kpt #: 45 total cpu time spent up to now is 223.6 secs Computing kpt #: 46 total cpu time spent up to now is 227.2 secs Computing kpt #: 47 total cpu time spent up to now is 230.9 secs Computing kpt #: 48 total cpu time spent up to now is 235.1 secs Computing kpt #: 49 total cpu time spent up to now is 239.0 secs Computing kpt #: 50 total cpu time spent up to now is 243.0 secs Computing kpt #: 51 total cpu time spent up to now is 250.1 secs Computing kpt #: 52 total cpu time spent up to now is 253.9 secs Computing kpt #: 53 total cpu time spent up to now is 257.7 secs Computing kpt #: 54 total cpu time spent up to now is 261.5 secs Computing kpt #: 55 total cpu time spent up to now is 265.3 secs Computing kpt #: 56 total cpu time spent up to now is 269.1 secs Computing kpt #: 57 total cpu time spent up to now is 273.0 secs Computing kpt #: 58 total cpu time spent up to now is 276.9 secs Computing kpt #: 59 total cpu time spent up to now is 280.7 secs Computing kpt #: 60 total cpu time spent up to now is 284.7 secs Computing kpt #: 61 total cpu time spent up to now is 288.7 secs Computing kpt #: 62 total cpu time spent up to now is 292.7 secs Computing kpt #: 63 total cpu time spent up to now is 296.6 secs Computing kpt #: 64 total cpu time spent up to now is 300.6 secs Computing kpt #: 65 total cpu time spent up to now is 304.6 secs Computing kpt #: 66 total cpu time spent up to now is 308.7 secs Computing kpt #: 67 total cpu time spent up to now is 313.3 secs Computing kpt #: 68 total cpu time spent up to now is 317.2 secs Computing kpt #: 69 total cpu time spent up to now is 321.3 secs Computing kpt #: 70 total cpu time spent up to now is 325.2 secs Computing kpt #: 71 total cpu time spent up to now is 329.2 secs Computing kpt #: 72 total cpu time spent up to now is 333.2 secs Computing kpt #: 73 total cpu time spent up to now is 337.2 secs Computing kpt #: 74 total cpu time spent up to now is 341.2 secs Computing kpt #: 75 total cpu time spent up to now is 345.2 secs Computing kpt #: 76 total cpu time spent up to now is 349.2 secs Computing kpt #: 77 total cpu time spent up to now is 353.3 secs Computing kpt #: 78 total cpu time spent up to now is 357.2 secs Computing kpt #: 79 total cpu time spent up to now is 361.2 secs Computing kpt #: 80 total cpu time spent up to now is 365.1 secs Computing kpt #: 81 total cpu time spent up to now is 369.0 secs Computing kpt #: 82 total cpu time spent up to now is 372.8 secs Computing kpt #: 83 total cpu time spent up to now is 376.7 secs Computing kpt #: 84 total cpu time spent up to now is 380.5 secs Computing kpt #: 85 total cpu time spent up to now is 384.3 secs Computing kpt #: 86 total cpu time spent up to now is 388.1 secs Computing kpt #: 87 total cpu time spent up to now is 392.0 secs Computing kpt #: 88 total cpu time spent up to now is 396.2 secs Computing kpt #: 89 total cpu time spent up to now is 400.3 secs Computing kpt #: 90 total cpu time spent up to now is 404.6 secs Computing kpt #: 91 total cpu time spent up to now is 408.8 secs Computing kpt #: 92 total cpu time spent up to now is 413.0 secs Computing kpt #: 93 total cpu time spent up to now is 417.2 secs Computing kpt #: 94 total cpu time spent up to now is 421.4 secs Computing kpt #: 95 total cpu time spent up to now is 425.5 secs Computing kpt #: 96 total cpu time spent up to now is 429.5 secs Computing kpt #: 97 total cpu time spent up to now is 433.5 secs Computing kpt #: 98 total cpu time spent up to now is 437.6 secs Computing kpt #: 99 total cpu time spent up to now is 441.6 secs Computing kpt #: 100 total cpu time spent up to now is 445.5 secs Computing kpt #: 101 total cpu time spent up to now is 449.5 secs Computing kpt #: 102 total cpu time spent up to now is 453.7 secs Computing kpt #: 103 total cpu time spent up to now is 457.9 secs Computing kpt #: 104 total cpu time spent up to now is 462.1 secs Computing kpt #: 105 total cpu time spent up to now is 466.2 secs Computing kpt #: 106 total cpu time spent up to now is 472.1 secs Computing kpt #: 107 total cpu time spent up to now is 476.3 secs Computing kpt #: 108 total cpu time spent up to now is 480.5 secs Computing kpt #: 109 total cpu time spent up to now is 484.8 secs Computing kpt #: 110 total cpu time spent up to now is 489.0 secs Computing kpt #: 111 total cpu time spent up to now is 493.3 secs Computing kpt #: 112 total cpu time spent up to now is 497.6 secs Computing kpt #: 113 total cpu time spent up to now is 502.0 secs Computing kpt #: 114 total cpu time spent up to now is 506.4 secs Computing kpt #: 115 total cpu time spent up to now is 513.2 secs Computing kpt #: 116 total cpu time spent up to now is 518.5 secs Computing kpt #: 117 total cpu time spent up to now is 522.8 secs Computing kpt #: 118 total cpu time spent up to now is 528.1 secs Computing kpt #: 119 total cpu time spent up to now is 532.7 secs Computing kpt #: 120 total cpu time spent up to now is 537.3 secs Computing kpt #: 121 total cpu time spent up to now is 541.6 secs Computing kpt #: 122 total cpu time spent up to now is 545.6 secs Computing kpt #: 123 total cpu time spent up to now is 549.8 secs Computing kpt #: 124 total cpu time spent up to now is 553.9 secs Computing kpt #: 125 total cpu time spent up to now is 558.0 secs Computing kpt #: 126 total cpu time spent up to now is 561.8 secs Computing kpt #: 127 total cpu time spent up to now is 565.7 secs Computing kpt #: 128 total cpu time spent up to now is 569.6 secs Computing kpt #: 129 total cpu time spent up to now is 573.4 secs Computing kpt #: 130 total cpu time spent up to now is 577.2 secs Computing kpt #: 131 total cpu time spent up to now is 581.1 secs Computing kpt #: 132 total cpu time spent up to now is 585.0 secs Computing kpt #: 133 total cpu time spent up to now is 588.9 secs Computing kpt #: 134 total cpu time spent up to now is 592.7 secs Computing kpt #: 135 total cpu time spent up to now is 596.6 secs Computing kpt #: 136 total cpu time spent up to now is 600.7 secs Computing kpt #: 137 total cpu time spent up to now is 604.8 secs Computing kpt #: 138 total cpu time spent up to now is 608.6 secs Computing kpt #: 139 total cpu time spent up to now is 612.5 secs Computing kpt #: 140 total cpu time spent up to now is 616.4 secs Computing kpt #: 141 total cpu time spent up to now is 620.3 secs Computing kpt #: 142 total cpu time spent up to now is 624.1 secs Computing kpt #: 143 total cpu time spent up to now is 627.8 secs Computing kpt #: 144 total cpu time spent up to now is 631.6 secs Computing kpt #: 145 total cpu time spent up to now is 635.4 secs Computing kpt #: 146 total cpu time spent up to now is 639.1 secs Computing kpt #: 147 total cpu time spent up to now is 642.8 secs Computing kpt #: 148 total cpu time spent up to now is 646.5 secs Computing kpt #: 149 total cpu time spent up to now is 650.3 secs Computing kpt #: 150 total cpu time spent up to now is 654.0 secs Computing kpt #: 151 total cpu time spent up to now is 657.7 secs Computing kpt #: 152 total cpu time spent up to now is 661.4 secs Computing kpt #: 153 total cpu time spent up to now is 665.1 secs Computing kpt #: 154 total cpu time spent up to now is 668.9 secs Computing kpt #: 155 total cpu time spent up to now is 672.7 secs Computing kpt #: 156 total cpu time spent up to now is 676.5 secs Computing kpt #: 157 total cpu time spent up to now is 680.2 secs Computing kpt #: 158 total cpu time spent up to now is 684.0 secs Computing kpt #: 159 total cpu time spent up to now is 687.9 secs Computing kpt #: 160 total cpu time spent up to now is 691.7 secs Computing kpt #: 161 total cpu time spent up to now is 695.7 secs Computing kpt #: 162 total cpu time spent up to now is 699.5 secs Computing kpt #: 163 total cpu time spent up to now is 703.3 secs Computing kpt #: 164 total cpu time spent up to now is 707.2 secs Computing kpt #: 165 total cpu time spent up to now is 711.2 secs Computing kpt #: 166 total cpu time spent up to now is 715.2 secs Computing kpt #: 167 total cpu time spent up to now is 719.2 secs Computing kpt #: 168 total cpu time spent up to now is 723.2 secs Computing kpt #: 169 total cpu time spent up to now is 727.2 secs Computing kpt #: 170 total cpu time spent up to now is 731.2 secs Computing kpt #: 171 total cpu time spent up to now is 735.1 secs Computing kpt #: 172 total cpu time spent up to now is 739.2 secs Computing kpt #: 173 total cpu time spent up to now is 743.1 secs Computing kpt #: 174 total cpu time spent up to now is 747.1 secs Computing kpt #: 175 total cpu time spent up to now is 750.9 secs Computing kpt #: 176 total cpu time spent up to now is 754.7 secs Computing kpt #: 177 total cpu time spent up to now is 758.5 secs Computing kpt #: 178 total cpu time spent up to now is 762.3 secs Computing kpt #: 179 total cpu time spent up to now is 766.1 secs Computing kpt #: 180 total cpu time spent up to now is 769.9 secs Computing kpt #: 181 total cpu time spent up to now is 773.7 secs Computing kpt #: 182 total cpu time spent up to now is 777.5 secs Computing kpt #: 183 total cpu time spent up to now is 781.3 secs Computing kpt #: 184 total cpu time spent up to now is 785.2 secs Computing kpt #: 185 total cpu time spent up to now is 789.1 secs Computing kpt #: 186 total cpu time spent up to now is 793.0 secs Computing kpt #: 187 total cpu time spent up to now is 797.0 secs Computing kpt #: 188 total cpu time spent up to now is 800.9 secs Computing kpt #: 189 total cpu time spent up to now is 804.7 secs Computing kpt #: 190 total cpu time spent up to now is 810.2 secs Computing kpt #: 191 total cpu time spent up to now is 815.4 secs Computing kpt #: 192 total cpu time spent up to now is 819.3 secs Computing kpt #: 193 total cpu time spent up to now is 823.3 secs Computing kpt #: 194 total cpu time spent up to now is 827.4 secs Computing kpt #: 195 total cpu time spent up to now is 831.4 secs Computing kpt #: 196 total cpu time spent up to now is 835.4 secs Computing kpt #: 197 total cpu time spent up to now is 839.7 secs Computing kpt #: 198 total cpu time spent up to now is 844.0 secs Computing kpt #: 199 total cpu time spent up to now is 848.3 secs Computing kpt #: 200 total cpu time spent up to now is 852.6 secs Computing kpt #: 201 total cpu time spent up to now is 856.6 secs Computing kpt #: 202 total cpu time spent up to now is 860.7 secs Computing kpt #: 203 total cpu time spent up to now is 864.7 secs Computing kpt #: 204 total cpu time spent up to now is 868.7 secs Computing kpt #: 205 total cpu time spent up to now is 872.7 secs Computing kpt #: 206 total cpu time spent up to now is 876.5 secs Computing kpt #: 207 total cpu time spent up to now is 880.4 secs Computing kpt #: 208 total cpu time spent up to now is 884.2 secs Computing kpt #: 209 total cpu time spent up to now is 888.0 secs Computing kpt #: 210 total cpu time spent up to now is 891.8 secs Computing kpt #: 211 total cpu time spent up to now is 895.5 secs Computing kpt #: 212 total cpu time spent up to now is 899.3 secs Computing kpt #: 213 total cpu time spent up to now is 903.1 secs Computing kpt #: 214 total cpu time spent up to now is 906.8 secs Computing kpt #: 215 total cpu time spent up to now is 910.5 secs Computing kpt #: 216 total cpu time spent up to now is 914.1 secs Computing kpt #: 217 total cpu time spent up to now is 919.3 secs Computing kpt #: 218 total cpu time spent up to now is 923.2 secs Computing kpt #: 219 total cpu time spent up to now is 926.8 secs Computing kpt #: 220 total cpu time spent up to now is 930.5 secs Computing kpt #: 221 total cpu time spent up to now is 934.2 secs Computing kpt #: 222 total cpu time spent up to now is 937.8 secs Computing kpt #: 223 total cpu time spent up to now is 941.5 secs Computing kpt #: 224 total cpu time spent up to now is 945.2 secs Computing kpt #: 225 total cpu time spent up to now is 949.2 secs Computing kpt #: 226 total cpu time spent up to now is 952.9 secs Computing kpt #: 227 total cpu time spent up to now is 956.7 secs Computing kpt #: 228 total cpu time spent up to now is 960.5 secs Computing kpt #: 229 total cpu time spent up to now is 964.2 secs Computing kpt #: 230 total cpu time spent up to now is 968.1 secs Computing kpt #: 231 total cpu time spent up to now is 972.0 secs Computing kpt #: 232 total cpu time spent up to now is 975.9 secs Computing kpt #: 233 total cpu time spent up to now is 979.9 secs Computing kpt #: 234 total cpu time spent up to now is 984.0 secs Computing kpt #: 235 total cpu time spent up to now is 987.9 secs Computing kpt #: 236 total cpu time spent up to now is 991.9 secs Computing kpt #: 237 total cpu time spent up to now is 996.0 secs Computing kpt #: 238 total cpu time spent up to now is 999.9 secs Computing kpt #: 239 total cpu time spent up to now is 1003.7 secs Computing kpt #: 240 total cpu time spent up to now is 1007.6 secs Computing kpt #: 241 total cpu time spent up to now is 1011.6 secs Computing kpt #: 242 total cpu time spent up to now is 1015.6 secs Computing kpt #: 243 total cpu time spent up to now is 1019.8 secs Computing kpt #: 244 total cpu time spent up to now is 1023.8 secs Computing kpt #: 245 total cpu time spent up to now is 1027.8 secs Computing kpt #: 246 total cpu time spent up to now is 1031.7 secs Computing kpt #: 247 total cpu time spent up to now is 1035.6 secs Computing kpt #: 248 total cpu time spent up to now is 1039.8 secs Computing kpt #: 249 total cpu time spent up to now is 1043.7 secs Computing kpt #: 250 total cpu time spent up to now is 1047.7 secs Computing kpt #: 251 total cpu time spent up to now is 1051.6 secs Computing kpt #: 252 total cpu time spent up to now is 1056.8 secs Computing kpt #: 253 total cpu time spent up to now is 1060.8 secs Computing kpt #: 254 total cpu time spent up to now is 1064.6 secs Computing kpt #: 255 total cpu time spent up to now is 1068.3 secs Computing kpt #: 256 total cpu time spent up to now is 1072.0 secs Computing kpt #: 257 total cpu time spent up to now is 1075.7 secs Computing kpt #: 258 total cpu time spent up to now is 1079.4 secs Computing kpt #: 259 total cpu time spent up to now is 1083.2 secs Computing kpt #: 260 total cpu time spent up to now is 1087.0 secs Computing kpt #: 261 total cpu time spent up to now is 1090.8 secs Computing kpt #: 262 total cpu time spent up to now is 1094.5 secs Computing kpt #: 263 total cpu time spent up to now is 1098.3 secs Computing kpt #: 264 total cpu time spent up to now is 1102.0 secs Computing kpt #: 265 total cpu time spent up to now is 1105.8 secs Computing kpt #: 266 total cpu time spent up to now is 1111.4 secs Computing kpt #: 267 total cpu time spent up to now is 1115.9 secs Computing kpt #: 268 total cpu time spent up to now is 1119.9 secs Computing kpt #: 269 total cpu time spent up to now is 1123.6 secs Computing kpt #: 270 total cpu time spent up to now is 1127.2 secs Computing kpt #: 271 total cpu time spent up to now is 1130.9 secs Computing kpt #: 272 total cpu time spent up to now is 1134.6 secs Computing kpt #: 273 total cpu time spent up to now is 1139.8 secs Computing kpt #: 274 total cpu time spent up to now is 1145.2 secs Computing kpt #: 275 total cpu time spent up to now is 1150.6 secs Computing kpt #: 276 total cpu time spent up to now is 1154.3 secs Computing kpt #: 277 total cpu time spent up to now is 1158.0 secs Computing kpt #: 278 total cpu time spent up to now is 1161.7 secs Computing kpt #: 279 total cpu time spent up to now is 1165.3 secs Computing kpt #: 280 total cpu time spent up to now is 1168.9 secs Computing kpt #: 281 total cpu time spent up to now is 1172.6 secs Computing kpt #: 282 total cpu time spent up to now is 1176.3 secs Computing kpt #: 283 total cpu time spent up to now is 1179.9 secs Computing kpt #: 284 total cpu time spent up to now is 1183.6 secs Computing kpt #: 285 total cpu time spent up to now is 1187.2 secs Computing kpt #: 286 total cpu time spent up to now is 1190.9 secs ethr = 2.38E-11, avg # of iterations = 38.0 total cpu time spent up to now is 1191.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4965 PWs) bands (ev): -8.1014 -8.1014 -6.7013 -6.7013 -6.6959 -6.6959 -6.6206 -6.6206 -2.0027 -2.0027 -2.0008 -2.0008 -0.8176 -0.8176 -0.4836 -0.4836 -0.3494 -0.3494 0.0636 0.0636 0.2420 0.2420 1.5961 1.5961 1.7206 1.7206 1.7300 1.7300 1.9060 1.9060 2.7585 2.7585 3.1872 3.1872 3.2800 3.2800 4.6168 4.6168 4.6953 4.6953 4.7135 4.7135 6.9347 6.9347 8.1567 8.1567 8.6009 8.6009 10.4413 10.4413 k = 0.0000 0.0000 0.0202 ( 4961 PWs) bands (ev): -8.1007 -8.1007 -6.7019 -6.7018 -6.6965 -6.6964 -6.6206 -6.6205 -2.0046 -2.0038 -2.0000 -1.9988 -0.8251 -0.8095 -0.4898 -0.4774 -0.3544 -0.3458 0.0506 0.0772 0.2376 0.2465 1.5802 1.5950 1.7139 1.7227 1.7310 1.7427 1.9121 1.9129 2.7539 2.7598 3.1853 3.1904 3.2800 3.2823 4.6135 4.6178 4.6888 4.6944 4.7088 4.7121 6.9411 6.9421 8.1583 8.1614 8.6038 8.6049 10.4384 10.4417 k = 0.0000 0.0000 0.0404 ( 4973 PWs) bands (ev): -8.0984 -8.0984 -6.7037 -6.7034 -6.6982 -6.6979 -6.6205 -6.6204 -2.0070 -2.0059 -1.9983 -1.9963 -0.8317 -0.8007 -0.4959 -0.4711 -0.3607 -0.3435 0.0384 0.0910 0.2333 0.2510 1.5565 1.5781 1.6990 1.7146 1.7476 1.7700 1.9291 1.9317 2.7459 2.7574 3.1836 3.1955 3.2825 3.2875 4.6072 4.6158 4.6699 4.6840 4.7037 4.7074 6.9610 6.9627 8.1663 8.1721 8.6136 8.6159 10.4322 10.4400 k = 0.0000 0.0000 0.0606 ( 4967 PWs) bands (ev): -8.0947 -8.0946 -6.7067 -6.7062 -6.7008 -6.7005 -6.6205 -6.6203 -2.0096 -2.0079 -1.9969 -1.9938 -0.8373 -0.7914 -0.5018 -0.4649 -0.3679 -0.3427 0.0271 0.1043 0.2293 0.2553 1.5317 1.5551 1.6782 1.6995 1.7749 1.8005 1.9542 1.9596 2.7346 2.7513 3.1812 3.2022 3.2878 3.2974 4.5956 4.6065 4.6421 4.6619 4.7002 4.7046 6.9937 6.9956 8.1802 8.1885 8.6304 8.6340 10.4213 10.4354 k = 0.0000 0.0000 0.0809 ( 4965 PWs) bands (ev): -8.0894 -8.0892 -6.7108 -6.7103 -6.7042 -6.7038 -6.6205 -6.6202 -2.0124 -2.0098 -1.9958 -1.9911 -0.8420 -0.7817 -0.5075 -0.4588 -0.3758 -0.3431 0.0162 0.1162 0.2255 0.2594 1.5090 1.5320 1.6552 1.6816 1.8046 1.8304 1.9854 1.9939 2.7199 2.7414 3.1783 3.2096 3.2969 3.3128 4.5719 4.5746 4.6239 4.6368 4.6968 4.7024 7.0376 7.0391 8.1997 8.2099 8.6545 8.6594 10.4056 10.4268 k = 0.0000 0.0000 0.1011 ( 4965 PWs) bands (ev): -8.0827 -8.0824 -6.7162 -6.7156 -6.7083 -6.7079 -6.6206 -6.6202 -2.0153 -2.0116 -1.9950 -1.9885 -0.8455 -0.7717 -0.5127 -0.4527 -0.3842 -0.3446 0.0057 0.1254 0.2223 0.2627 1.4898 1.5115 1.6320 1.6630 1.8334 1.8581 2.0215 2.0331 2.7017 2.7276 3.1760 3.2170 3.3109 3.3335 4.5205 4.5316 4.6140 4.6183 4.6932 4.7002 7.0907 7.0920 8.2240 8.2356 8.6861 8.6926 10.3860 10.4135 k = 0.0000 0.0000 0.1213 ( 4965 PWs) bands (ev): -8.0744 -8.0742 -6.7227 -6.7221 -6.7131 -6.7127 -6.6209 -6.6204 -2.0182 -2.0132 -1.9945 -1.9858 -0.8479 -0.7615 -0.5175 -0.4467 -0.3927 -0.3470 -0.0049 0.1309 0.2197 0.2650 1.4748 1.4949 1.6098 1.6455 1.8594 1.8828 2.0617 2.0758 2.6802 2.7103 3.1761 3.2246 3.3300 3.3584 4.4568 4.4751 4.6015 4.6075 4.6892 4.6975 7.1503 7.1532 8.2524 8.2646 8.7253 8.7337 10.3634 10.3960 k = 0.0000 0.0000 0.1415 ( 4957 PWs) bands (ev): -8.0647 -8.0644 -6.7303 -6.7296 -6.7186 -6.7182 -6.6214 -6.6208 -2.0211 -2.0148 -1.9943 -1.9830 -0.8490 -0.7513 -0.5216 -0.4409 -0.4011 -0.3500 -0.0157 0.1317 0.2176 0.2657 1.4640 1.4823 1.5902 1.6309 1.8814 1.9042 2.1049 2.1211 2.6558 2.6900 3.1797 3.2335 3.3538 3.3868 4.3861 4.4088 4.5880 4.5972 4.6848 4.6943 7.2149 7.2206 8.2841 8.2962 8.7720 8.7826 10.3388 10.3754 k = 0.0000 0.0000 0.1617 ( 4955 PWs) bands (ev): -8.0536 -8.0532 -6.7389 -6.7381 -6.7247 -6.7243 -6.6223 -6.6215 -2.0239 -2.0162 -1.9943 -1.9803 -0.8489 -0.7411 -0.5249 -0.4355 -0.4090 -0.3536 -0.0271 0.1276 0.2153 0.2646 1.4561 1.4728 1.5753 1.6214 1.8985 1.9220 2.1505 2.1680 2.6298 2.6678 3.1879 3.2450 3.3809 3.4176 4.3106 4.3360 4.5734 4.5850 4.6801 4.6906 7.2831 7.2921 8.3186 8.3301 8.8262 8.8390 10.3130 10.3527 k = 0.0000 0.0000 0.1819 ( 4955 PWs) bands (ev): -8.0411 -8.0406 -6.7484 -6.7475 -6.7315 -6.7310 -6.6234 -6.6225 -2.0267 -2.0176 -1.9945 -1.9777 -0.8474 -0.7310 -0.5273 -0.4314 -0.4153 -0.3575 -0.0391 0.1190 0.2117 0.2611 1.4490 1.4647 1.5681 1.6194 1.9100 1.9357 2.1974 2.2158 2.6040 2.6450 3.2010 3.2599 3.4101 3.4500 4.2319 4.2588 4.5574 4.5707 4.6749 4.6864 7.3533 7.3662 8.3553 8.3656 8.8873 8.9022 10.2866 10.3286 k = 0.0000 0.0000 0.2021 ( 4955 PWs) bands (ev): -8.0272 -8.0266 -6.7587 -6.7577 -6.7389 -6.7384 -6.6250 -6.6239 -2.0293 -2.0190 -1.9949 -1.9750 -0.8446 -0.7212 -0.5287 -0.4318 -0.4169 -0.3616 -0.0519 0.1065 0.2059 0.2552 1.4401 1.4553 1.5720 1.6272 1.9152 1.9446 2.2445 2.2633 2.5810 2.6235 3.2190 3.2788 3.4402 3.4830 4.1516 4.1791 4.5396 4.5542 4.6694 4.6818 7.4245 7.4414 8.3937 8.4026 8.9543 8.9711 10.2602 10.3037 k = 0.0000 0.0000 0.2224 ( 4963 PWs) bands (ev): -8.0119 -8.0113 -6.7697 -6.7685 -6.7468 -6.7462 -6.6269 -6.6256 -2.0318 -2.0204 -1.9953 -1.9725 -0.8405 -0.7117 -0.5289 -0.4368 -0.4135 -0.3659 -0.0654 0.0905 0.1972 0.2465 1.4286 1.4431 1.5883 1.6456 1.9138 1.9481 2.2903 2.3096 2.5639 2.6060 3.2415 3.3015 3.4696 3.5155 4.0714 4.0988 4.5200 4.5356 4.6637 4.6768 7.4955 7.5163 8.4337 8.4409 9.0263 9.0444 10.2343 10.2788 k = 0.0000 0.0000 0.2426 ( 4963 PWs) bands (ev): -7.9953 -7.9946 -6.7813 -6.7800 -6.7552 -6.7546 -6.6293 -6.6278 -2.0341 -2.0218 -1.9958 -1.9700 -0.8351 -0.7026 -0.5281 -0.4429 -0.4087 -0.3702 -0.0796 0.0715 0.1856 0.2353 1.4151 1.4282 1.6157 1.6735 1.9060 1.9457 2.3326 2.3529 2.5564 2.5957 3.2682 3.3277 3.4962 3.5461 3.9935 4.0203 4.4987 4.5150 4.6576 4.6713 7.5655 7.5901 8.4750 8.4805 9.1014 9.1203 10.2094 10.2541 k = 0.0000 0.0000 0.2628 ( 4959 PWs) bands (ev): -7.9774 -7.9767 -6.7935 -6.7921 -6.7641 -6.7634 -6.6321 -6.6304 -2.0362 -2.0234 -1.9961 -1.9676 -0.8283 -0.6940 -0.5260 -0.4489 -0.4039 -0.3744 -0.0943 0.0498 0.1711 0.2214 1.4003 1.4116 1.6521 1.7075 1.8942 1.9377 2.3684 2.3911 2.5618 2.5966 3.2982 3.3569 3.5171 3.5723 3.9206 3.9472 4.4760 4.4928 4.6512 4.6655 7.6338 7.6618 8.5174 8.5213 9.1779 9.1970 10.1860 10.2303 k = 0.0000 0.0000 0.2830 ( 4951 PWs) bands (ev): -7.9583 -7.9574 -6.8063 -6.8047 -6.7734 -6.7726 -6.6354 -6.6336 -2.0380 -2.0250 -1.9964 -1.9654 -0.8204 -0.6860 -0.5229 -0.4545 -0.3998 -0.3780 -0.1094 0.0258 0.1540 0.2053 1.3844 1.3940 1.6945 1.7402 1.8854 1.9257 2.3958 2.4215 2.5818 2.6122 3.3309 3.3881 3.5276 3.5895 3.8572 3.8855 4.4523 4.4694 4.6446 4.6594 7.6999 7.7308 8.5606 8.5631 9.2533 9.2721 10.1646 10.2076 k = 0.0000 0.0000 0.3032 ( 4955 PWs) bands (ev): -7.9380 -7.9370 -6.8194 -6.8177 -6.7830 -6.7821 -6.6393 -6.6373 -2.0396 -2.0269 -1.9964 -1.9633 -0.8112 -0.6785 -0.5188 -0.4597 -0.3978 -0.3797 -0.1247 -0.0002 0.1348 0.1870 1.3671 1.3759 1.7372 1.7566 1.8948 1.9155 2.4163 2.4431 2.6152 2.6425 3.3651 3.4194 3.5225 3.5894 3.8113 3.8428 4.4281 4.4453 4.6378 4.6530 7.7633 7.7964 8.6042 8.6059 9.3248 9.3434 10.1456 10.1868 k = 0.0000 0.0000 0.3234 ( 4967 PWs) bands (ev): -7.9166 -7.9155 -6.8329 -6.8310 -6.7929 -6.7919 -6.6437 -6.6415 -2.0410 -2.0289 -1.9963 -1.9613 -0.8010 -0.6715 -0.5138 -0.4643 -0.3995 -0.3783 -0.1400 -0.0278 0.1138 0.1671 1.3476 1.3574 1.7421 1.7751 1.9102 1.9405 2.4328 2.4581 2.6586 2.6834 3.3978 3.4451 3.5046 3.5664 3.7906 3.8224 4.4040 4.4213 4.6308 4.6464 7.8238 7.8583 8.6475 8.6496 9.3891 9.4081 10.1297 10.1683 k = 0.0000 0.0000 0.3436 ( 4969 PWs) bands (ev): -7.8941 -7.8928 -6.8466 -6.8446 -6.8030 -6.8019 -6.6487 -6.6463 -2.0420 -2.0310 -1.9960 -1.9596 -0.7898 -0.6652 -0.5081 -0.4684 -0.4039 -0.3745 -0.1551 -0.0566 0.0916 0.1457 1.3253 1.3378 1.7185 1.7831 1.9400 1.9984 2.4474 2.4697 2.7081 2.7307 3.4101 3.4533 3.4927 3.5413 3.7907 3.8195 4.3811 4.3983 4.6236 4.6396 7.8810 7.9161 8.6902 8.6934 9.4430 9.4636 10.1177 10.1529 k = 0.0000 0.0000 0.3639 ( 4969 PWs) bands (ev): -7.8706 -7.8692 -6.8605 -6.8584 -6.8133 -6.8120 -6.6543 -6.6518 -2.0428 -2.0331 -1.9955 -1.9580 -0.7776 -0.6594 -0.5021 -0.4720 -0.4097 -0.3698 -0.1698 -0.0861 0.0686 0.1235 1.2997 1.3157 1.6920 1.7702 1.9942 2.0660 2.4605 2.4797 2.7609 2.7812 3.3764 3.4360 3.4990 3.5563 3.7998 3.8253 4.3604 4.3776 4.6164 4.6327 7.9347 7.9694 8.7322 8.7367 9.4834 9.5069 10.1100 10.1411 k = 0.0000 0.0000 0.3841 ( 4965 PWs) bands (ev): -7.8460 -7.8445 -6.8746 -6.8724 -6.8237 -6.8223 -6.6605 -6.6579 -2.0434 -2.0353 -1.9948 -1.9567 -0.7647 -0.6542 -0.4961 -0.4751 -0.4162 -0.3649 -0.1840 -0.1160 0.0452 0.1007 1.2701 1.2901 1.6686 1.7505 2.0599 2.1381 2.4716 2.4886 2.8147 2.8330 3.3309 3.3888 3.5323 3.5878 3.8100 3.8332 4.3430 4.3603 4.6091 4.6258 7.9846 8.0178 8.7728 8.7786 9.5082 9.5359 10.1069 10.1329 k = 0.0000 0.0000 0.4043 ( 4961 PWs) bands (ev): -7.8206 -7.8189 -6.8887 -6.8864 -6.8340 -6.8326 -6.6674 -6.6646 -2.0436 -2.0375 -1.9940 -1.9556 -0.7511 -0.6496 -0.4906 -0.4778 -0.4230 -0.3599 -0.1974 -0.1457 0.0218 0.0779 1.2357 1.2603 1.6512 1.7311 2.1298 2.2118 2.4794 2.4966 2.8676 2.8846 3.2891 3.3443 3.5692 3.6217 3.8171 3.8392 4.3300 4.3477 4.6019 4.6191 8.0300 8.0608 8.8113 8.8184 9.5171 9.5496 10.1072 10.1276 k = 0.0000 0.0000 0.4245 ( 4971 PWs) bands (ev): -7.7944 -7.7925 -6.9028 -6.9004 -6.8444 -6.8428 -6.6750 -6.6721 -2.0437 -2.0397 -1.9932 -1.9548 -0.7371 -0.6455 -0.4863 -0.4801 -0.4297 -0.3550 -0.2101 -0.1747 -0.0013 0.0557 1.1962 1.2265 1.6410 1.7153 2.1995 2.2837 2.4837 2.5034 2.9172 2.9348 3.2575 3.3110 3.6059 3.6553 3.8189 3.8415 4.3224 4.3410 4.5948 4.6126 8.0705 8.0978 8.8471 8.8554 9.5114 9.5492 10.1087 10.1231 k = 0.0000 0.0000 0.4447 ( 4971 PWs) bands (ev): -7.7674 -7.7654 -6.9169 -6.9144 -6.8547 -6.8530 -6.6832 -6.6802 -2.0434 -2.0416 -1.9924 -1.9543 -0.7229 -0.6420 -0.4840 -0.4822 -0.4356 -0.3503 -0.2222 -0.2023 -0.0237 0.0346 1.1522 1.1887 1.6382 1.7044 2.2636 2.3475 2.4881 2.5099 2.9612 2.9822 3.2412 3.2941 3.6414 3.6874 3.8150 3.8392 4.3207 4.3405 4.5880 4.6065 8.1050 8.1279 8.8793 8.8890 9.4936 9.5373 10.1087 10.1171 k = 0.0000 0.0000 0.4649 ( 4975 PWs) bands (ev): -7.7398 -7.7376 -6.9308 -6.9282 -6.8649 -6.8630 -6.6921 -6.6891 -2.0435 -2.0429 -1.9915 -1.9542 -0.7086 -0.6389 -0.4848 -0.4842 -0.4402 -0.3458 -0.2354 -0.2263 -0.0450 0.0151 1.1046 1.1476 1.6421 1.6990 2.3134 2.3891 2.5050 2.5199 2.9992 3.0251 3.2438 3.2963 3.6748 3.7169 3.8061 3.8328 4.3245 4.3457 4.5816 4.6009 8.1323 8.1501 8.9073 8.9184 9.4674 9.5173 10.1046 10.1076 k = 0.0000 0.0000 0.4851 ( 4975 PWs) bands (ev): -7.7116 -7.7091 -6.9446 -6.9419 -6.8749 -6.8729 -6.7017 -6.6986 -2.0451 -2.0423 -1.9908 -1.9544 -0.6945 -0.6364 -0.4884 -0.4872 -0.4434 -0.3416 -0.2555 -0.2399 -0.0649 -0.0021 1.0546 1.1037 1.6519 1.6991 2.3365 2.3968 2.5420 2.5450 3.0336 3.0639 3.2657 3.3162 3.7055 3.7428 3.7948 3.8242 4.3334 4.3559 4.5756 4.5960 8.1510 8.1633 8.9303 8.9430 9.4366 9.4930 10.0939 10.0955 k = 0.0000 0.0000 0.5054 ( 4979 PWs) bands (ev): -7.6829 -7.6802 -6.9581 -6.9553 -6.8846 -6.8825 -6.7120 -6.7088 -2.0464 -2.0414 -1.9901 -1.9550 -0.6810 -0.6341 -0.4949 -0.4906 -0.4459 -0.3380 -0.2763 -0.2486 -0.0832 -0.0165 1.0032 1.0578 1.6666 1.7043 2.3294 2.3829 2.5782 2.5940 3.0683 3.1021 3.3032 3.3496 3.7321 3.7610 3.7861 3.8171 4.3462 4.3698 4.5701 4.5920 8.1592 8.1664 8.9481 8.9622 9.4045 9.4674 10.0770 10.0822 k = 0.0000 0.0000 0.5256 ( 4983 PWs) bands (ev): -7.6538 -7.6510 -6.9713 -6.9684 -6.8941 -6.8919 -6.7228 -6.7197 -2.0474 -2.0403 -1.9896 -1.9560 -0.6685 -0.6320 -0.5032 -0.4954 -0.4489 -0.3357 -0.2940 -0.2549 -0.0992 -0.0280 0.9513 1.0105 1.6856 1.7140 2.3031 2.3574 2.6195 2.6395 3.1068 3.1432 3.3505 3.3913 3.7487 3.7669 3.7880 3.8194 4.3618 4.3861 4.5654 4.5888 8.1548 8.1594 8.9605 8.9755 9.3743 9.4436 10.0590 10.0666 k = 0.0000 0.0000 0.5458 ( 4991 PWs) bands (ev): -7.6244 -7.6214 -6.9843 -6.9813 -6.9032 -6.9009 -6.7343 -6.7312 -2.0482 -2.0391 -1.9893 -1.9574 -0.6575 -0.6297 -0.5126 -0.5019 -0.4529 -0.3354 -0.3076 -0.2585 -0.1126 -0.0363 0.8997 0.9625 1.7080 1.7278 2.2673 2.3248 2.6569 2.6773 3.1502 3.1875 3.4034 3.4375 3.7486 3.7732 3.7975 3.8335 4.3790 4.4038 4.5616 4.5866 8.1362 8.1419 8.9673 8.9822 9.3485 9.4238 10.0419 10.0508 k = 0.0000 0.0000 0.5660 ( 4999 PWs) bands (ev): -7.5949 -7.5917 -6.9970 -6.9938 -6.9120 -6.9096 -6.7463 -6.7432 -2.0485 -2.0377 -1.9892 -1.9592 -0.6488 -0.6266 -0.5227 -0.5103 -0.4578 -0.3376 -0.3170 -0.2592 -0.1229 -0.0414 0.8489 0.9142 1.7326 1.7454 2.2273 2.2887 2.6860 2.7058 3.1969 3.2325 3.4595 3.4863 3.7482 3.7761 3.8148 3.8522 4.3968 4.4219 4.5587 4.5854 8.1049 8.1123 8.9682 8.9815 9.3294 9.4101 10.0276 10.0369 k = 0.0000 0.0000 0.5862 ( 4982 PWs) bands (ev): -7.5654 -7.5620 -7.0093 -7.0059 -6.9204 -6.9178 -6.7587 -6.7557 -2.0485 -2.0361 -1.9893 -1.9615 -0.6432 -0.6222 -0.5333 -0.5204 -0.4635 -0.3423 -0.3226 -0.2573 -0.1295 -0.0436 0.7993 0.8663 1.7570 1.7676 2.1863 2.2521 2.7051 2.7245 3.2437 3.2747 3.5175 3.5374 3.7535 3.7827 3.8343 3.8732 4.4146 4.4393 4.5570 4.5852 8.0628 8.0704 8.9624 8.9729 9.3190 9.4042 10.0171 10.0259 k = 0.0000 0.0000 0.6064 ( 4986 PWs) bands (ev): -7.5359 -7.5324 -7.0213 -7.0178 -6.9284 -6.9256 -6.7715 -6.7685 -2.0480 -2.0344 -1.9897 -1.9641 -0.6401 -0.6171 -0.5444 -0.5316 -0.4692 -0.3492 -0.3247 -0.2537 -0.1320 -0.0430 0.7513 0.8189 1.7789 1.7948 2.1467 2.2175 2.7141 2.7333 3.2870 3.3112 3.5761 3.5904 3.7637 3.7959 3.8563 3.8972 4.4314 4.4554 4.5566 4.5859 8.0113 8.0178 8.9491 8.9563 9.3186 9.4067 10.0106 10.0183 k = 0.0000 0.0000 0.6266 ( 4978 PWs) bands (ev): -7.5068 -7.5031 -7.0330 -7.0292 -6.9358 -6.9330 -6.7844 -6.7816 -2.0472 -2.0325 -1.9903 -1.9672 -0.6385 -0.6126 -0.5560 -0.5433 -0.4743 -0.3579 -0.3235 -0.2497 -0.1302 -0.0400 0.7054 0.7726 1.7988 1.8235 2.1109 2.1872 2.7133 2.7323 3.3249 3.3417 3.6320 3.6435 3.7773 3.8177 3.8827 3.9255 4.4468 4.4693 4.5580 4.5875 7.9526 7.9570 8.9283 8.9325 9.3287 9.4176 10.0078 10.0137 k = 0.0000 0.0000 0.6469 ( 4978 PWs) bands (ev): -7.4782 -7.4743 -7.0443 -7.0404 -6.9428 -6.9399 -6.7973 -6.7947 -2.0459 -2.0305 -1.9912 -1.9706 -0.6375 -0.6096 -0.5678 -0.5548 -0.4782 -0.3678 -0.3198 -0.2463 -0.1241 -0.0350 0.6617 0.7276 1.8161 1.8501 2.0820 2.1640 2.7031 2.7221 3.3575 3.3678 3.6744 3.6933 3.7976 3.8505 3.9143 3.9588 4.4602 4.4804 4.5612 4.5898 7.8890 7.8906 8.9011 8.9033 9.3482 9.4356 10.0075 10.0114 k = 0.0000 0.0000 0.6671 ( 4978 PWs) bands (ev): -7.4502 -7.4462 -7.0555 -7.0514 -6.9492 -6.9463 -6.8100 -6.8076 -2.0443 -2.0285 -1.9923 -1.9743 -0.6367 -0.6084 -0.5796 -0.5658 -0.4805 -0.3783 -0.3144 -0.2440 -0.1139 -0.0282 0.6206 0.6842 1.8288 1.8702 2.0648 2.1503 2.6845 2.7036 3.3859 3.3923 3.6985 3.7241 3.8374 3.8949 3.9499 3.9969 4.4713 4.4883 4.5661 4.5927 7.8215 7.8228 8.8694 8.8707 9.3753 9.4592 10.0087 10.0103 k = 0.0000 0.0000 0.6873 ( 4988 PWs) bands (ev): -7.4232 -7.4192 -7.0663 -7.0621 -6.9550 -6.9521 -6.8222 -6.8200 -2.0422 -2.0263 -1.9937 -1.9783 -0.6359 -0.6092 -0.5909 -0.5758 -0.4810 -0.3890 -0.3080 -0.2429 -0.1005 -0.0203 0.5826 0.6428 1.8355 1.8786 2.0645 2.1481 2.6585 2.6778 3.4109 3.4176 3.7077 3.7317 3.8967 3.9459 3.9874 4.0387 4.4797 4.4933 4.5722 4.5959 7.7527 7.7565 8.8357 8.8368 9.4078 9.4867 10.0093 10.0103 k = 0.0000 0.0000 0.7075 ( 4992 PWs) bands (ev): -7.3975 -7.3935 -7.0768 -7.0726 -6.9602 -6.9574 -6.8336 -6.8318 -2.0397 -2.0242 -1.9954 -1.9825 -0.6350 -0.6116 -0.6011 -0.5847 -0.4798 -0.3994 -0.3009 -0.2430 -0.0848 -0.0118 0.5482 0.6039 1.8361 1.8743 2.0822 2.1577 2.6263 2.6460 3.4348 3.4437 3.7065 3.7273 3.9623 3.9966 4.0246 4.0825 4.4853 4.4960 4.5788 4.5991 7.6867 7.6925 8.8022 8.8034 9.4437 9.5161 10.0077 10.0108 k = 0.0000 0.0000 0.7277 ( 4984 PWs) bands (ev): -7.3735 -7.3696 -7.0870 -7.0828 -6.9648 -6.9622 -6.8440 -6.8424 -2.0368 -2.0220 -1.9972 -1.9867 -0.6339 -0.6153 -0.6099 -0.5924 -0.4773 -0.4095 -0.2937 -0.2441 -0.0676 -0.0034 0.5179 0.5679 1.8319 1.8624 2.1128 2.1776 2.5894 2.6098 3.4590 3.4701 3.6983 3.7167 4.0264 4.0428 4.0596 4.1259 4.4884 4.4973 4.5850 4.6018 7.6262 7.6330 8.7710 8.7722 9.4811 9.5457 10.0046 10.0097 k = 0.0000 0.0000 0.7479 ( 4988 PWs) bands (ev): -7.3517 -7.3481 -7.0966 -7.0926 -6.9685 -6.9662 -6.8530 -6.8517 -2.0337 -2.0200 -1.9993 -1.9908 -0.6327 -0.6200 -0.6165 -0.5989 -0.4737 -0.4190 -0.2865 -0.2461 -0.0499 0.0040 0.4926 0.5354 1.8254 1.8482 2.1506 2.2052 2.5492 2.5703 3.4836 3.4962 3.6854 3.7022 4.0791 4.0879 4.0911 4.1658 4.4895 4.4976 4.5904 4.6039 7.5733 7.5803 8.7435 8.7445 9.5180 9.5734 10.0000 10.0065 k = 0.0000 0.0000 0.7681 ( 4988 PWs) bands (ev): -7.3329 -7.3297 -7.1051 -7.1017 -6.9715 -6.9696 -6.8603 -6.8593 -2.0303 -2.0183 -2.0013 -1.9946 -0.6320 -0.6250 -0.6204 -0.6044 -0.4691 -0.4279 -0.2796 -0.2490 -0.0327 0.0095 0.4732 0.5072 1.8188 1.8349 2.1921 2.2376 2.5074 2.5291 3.5083 3.5217 3.6694 3.6850 4.1112 4.1172 4.1382 4.1984 4.4896 4.4971 4.5946 4.6050 7.5302 7.5364 8.7209 8.7217 9.5526 9.5969 9.9945 10.0014 k = 0.0000 0.0000 0.7884 ( 4992 PWs) bands (ev): -7.3179 -7.3156 -7.1120 -7.1094 -6.9735 -6.9722 -6.8657 -6.8650 -2.0267 -2.0174 -2.0031 -1.9980 -0.6322 -0.6291 -0.6213 -0.6092 -0.4638 -0.4363 -0.2731 -0.2525 -0.0172 0.0120 0.4604 0.4842 1.8138 1.8240 2.2345 2.2710 2.4668 2.4881 3.5323 3.5452 3.6523 3.6664 4.1340 4.1370 4.1796 4.2206 4.4898 4.4958 4.5979 4.6050 7.4985 7.5032 8.7041 8.7047 9.5824 9.6138 9.9893 9.9953 k = 0.0000 0.0000 0.8086 ( 4996 PWs) bands (ev): -7.3080 -7.3067 -7.1164 -7.1150 -6.9746 -6.9740 -6.8689 -6.8686 -2.0232 -2.0179 -2.0037 -2.0007 -0.6330 -0.6318 -0.6199 -0.6135 -0.4578 -0.4441 -0.2671 -0.2567 -0.0042 0.0107 0.4550 0.4673 1.8113 1.8162 2.2739 2.2978 2.4345 2.4509 3.5535 3.5631 3.6382 3.6482 4.1481 4.1493 4.2095 4.2304 4.4907 4.4940 4.6005 4.6041 7.4795 7.4820 8.6939 8.6942 9.6053 9.6216 9.9861 9.9896 k = 0.0000 0.0000 0.8288 ( 5000 PWs) bands (ev): -7.3041 -7.3041 -7.1174 -7.1174 -6.9748 -6.9748 -6.8699 -6.8699 -2.0200 -2.0200 -2.0028 -2.0028 -0.6330 -0.6330 -0.6171 -0.6171 -0.4512 -0.4512 -0.2616 -0.2616 0.0053 0.0053 0.4573 0.4573 1.8120 1.8120 2.3007 2.3007 2.4274 2.4274 3.5668 3.5668 3.6359 3.6359 4.1532 4.1532 4.2267 4.2267 4.4922 4.4922 4.6025 4.6025 7.4740 7.4740 8.6905 8.6905 9.6188 9.6188 9.9862 9.9862 k = 0.0000 0.0000 0.8288 ( 5000 PWs) bands (ev): -7.3041 -7.3041 -7.1174 -7.1174 -6.9748 -6.9748 -6.8699 -6.8699 -2.0200 -2.0200 -2.0028 -2.0028 -0.6330 -0.6330 -0.6171 -0.6171 -0.4512 -0.4512 -0.2616 -0.2616 0.0053 0.0053 0.4573 0.4573 1.8120 1.8120 2.3007 2.3007 2.4274 2.4274 3.5668 3.5668 3.6359 3.6359 4.1532 4.1532 4.2267 4.2267 4.4922 4.4922 4.6025 4.6025 7.4740 7.4740 8.6905 8.6905 9.6188 9.6188 9.9862 9.9862 k =-0.0119 0.0158 0.8288 ( 4992 PWs) bands (ev): -7.3042 -7.3036 -7.1181 -7.1175 -6.9747 -6.9747 -6.8702 -6.8698 -2.0224 -2.0181 -2.0095 -1.9969 -0.6481 -0.6436 -0.6154 -0.5924 -0.4637 -0.4358 -0.2642 -0.2568 0.0026 0.0095 0.4530 0.4627 1.8109 1.8136 2.2999 2.3011 2.4265 2.4291 3.5641 3.5664 3.6286 3.6379 4.1504 4.1545 4.2246 4.2282 4.4856 4.4898 4.5980 4.6101 7.4764 7.4774 8.6920 8.6925 9.6199 9.6248 9.9875 9.9886 k =-0.0238 0.0315 0.8288 ( 4988 PWs) bands (ev): -7.3039 -7.3028 -7.1195 -7.1184 -6.9746 -6.9745 -6.8707 -6.8700 -2.0251 -2.0191 -2.0144 -1.9921 -0.6749 -0.6538 -0.6008 -0.5684 -0.4725 -0.4179 -0.2641 -0.2497 0.0013 0.0150 0.4495 0.4689 1.8102 1.8158 2.2987 2.3012 2.4265 2.4317 3.5585 3.5629 3.6160 3.6347 4.1463 4.1543 4.2222 4.2292 4.4720 4.4783 4.5969 4.6185 7.4845 7.4866 8.6969 8.6980 9.6280 9.6378 9.9923 9.9945 k =-0.0358 0.0473 0.8288 ( 4988 PWs) bands (ev): -7.3032 -7.3017 -7.1217 -7.1200 -6.9742 -6.9740 -6.8713 -6.8703 -2.0288 -2.0262 -2.0135 -1.9885 -0.7014 -0.6624 -0.5857 -0.5484 -0.4762 -0.3985 -0.2603 -0.2399 0.0017 0.0221 0.4469 0.4760 1.8102 1.8184 2.2973 2.3010 2.4275 2.4351 3.5500 3.5563 3.5984 3.6264 4.1409 4.1525 4.2194 4.2294 4.4536 4.4598 4.5976 4.6260 7.4981 7.5013 8.7052 8.7068 9.6426 9.6572 10.0001 10.0037 k =-0.0477 0.0630 0.8288 ( 4990 PWs) bands (ev): -7.3023 -7.3002 -7.1246 -7.1225 -6.9735 -6.9733 -6.8722 -6.8708 -2.0370 -2.0304 -2.0121 -1.9861 -0.7268 -0.6694 -0.5722 -0.5335 -0.4731 -0.3797 -0.2516 -0.2264 0.0037 0.0306 0.4451 0.4840 1.8106 1.8214 2.2956 2.3005 2.4293 2.4391 3.5383 3.5462 3.5767 3.6131 4.1342 4.1491 4.2164 4.2289 4.4320 4.4365 4.5983 4.6314 7.5167 7.5214 8.7167 8.7189 9.6625 9.6818 10.0101 10.0153 k =-0.0596 0.0788 0.8288 ( 4986 PWs) bands (ev): -7.3010 -7.2985 -7.1285 -7.1258 -6.9724 -6.9723 -6.8731 -6.8714 -2.0468 -2.0336 -2.0110 -1.9849 -0.7508 -0.6751 -0.5631 -0.5217 -0.4635 -0.3639 -0.2366 -0.2079 0.0075 0.0408 0.4440 0.4928 1.8117 1.8249 2.2938 2.2998 2.4320 2.4437 3.5230 3.5311 3.5533 3.5953 4.1263 4.1442 4.2131 4.2275 4.4082 4.4105 4.5977 4.6339 7.5400 7.5463 8.7312 8.7340 9.6862 9.7102 10.0211 10.0283 k =-0.0715 0.0946 0.8288 ( 4984 PWs) bands (ev): -7.2996 -7.2966 -7.1333 -7.1301 -6.9709 -6.9708 -6.8741 -6.8721 -2.0570 -2.0369 -2.0103 -1.9846 -0.7731 -0.6799 -0.5592 -0.5099 -0.4504 -0.3527 -0.2159 -0.1823 0.0135 0.0530 0.4437 0.5024 1.8133 1.8288 2.2919 2.2990 2.4354 2.4487 3.4997 3.5111 3.5332 3.5734 4.1173 4.1378 4.2097 4.2251 4.3828 4.3833 4.5954 4.6334 7.5673 7.5756 8.7485 8.7519 9.7115 9.7405 10.0312 10.0413 k =-0.0834 0.1103 0.8288 ( 4982 PWs) bands (ev): -7.2981 -7.2946 -7.1390 -7.1354 -6.9689 -6.9688 -6.8752 -6.8728 -2.0673 -2.0403 -2.0100 -1.9852 -0.7937 -0.6842 -0.5586 -0.4982 -0.4365 -0.3457 -0.1907 -0.1493 0.0216 0.0674 0.4439 0.5125 1.8155 1.8332 2.2900 2.2981 2.4395 2.4540 3.4654 3.4899 3.5157 3.5484 4.1071 4.1300 4.2059 4.2218 4.3545 4.3581 4.5911 4.6298 7.5981 7.6085 8.7683 8.7723 9.7355 9.7700 10.0381 10.0525 k =-0.0954 0.1261 0.8288 ( 4984 PWs) bands (ev): -7.2965 -7.2925 -7.1456 -7.1416 -6.9663 -6.9661 -6.8761 -6.8735 -2.0776 -2.0439 -2.0103 -1.9863 -0.8126 -0.6883 -0.5592 -0.4877 -0.4232 -0.3417 -0.1616 -0.1106 0.0325 0.0846 0.4446 0.5232 1.8184 1.8380 2.2881 2.2973 2.4440 2.4596 3.4248 3.4659 3.4983 3.5217 4.0960 4.1209 4.2018 4.2174 4.3261 4.3332 4.5847 4.6235 7.6318 7.6445 8.7902 8.7948 9.7550 9.7948 10.0393 10.0596 k =-0.1073 0.1418 0.8288 ( 4976 PWs) bands (ev): -7.2949 -7.2906 -7.1532 -7.1488 -6.9631 -6.9628 -6.8768 -6.8739 -2.0876 -2.0475 -2.0113 -1.9878 -0.8298 -0.6926 -0.5596 -0.4795 -0.4109 -0.3394 -0.1288 -0.0691 0.0465 0.1057 0.4459 0.5344 1.8220 1.8433 2.2864 2.2965 2.4490 2.4653 3.3804 3.4373 3.4803 3.4951 4.0838 4.1105 4.1972 4.2117 4.2980 4.3095 4.5765 4.6144 7.6678 7.6829 8.8138 8.8191 9.7668 9.8106 10.0334 10.0610 k =-0.1192 0.1576 0.8288 ( 4968 PWs) bands (ev): -7.2935 -7.2888 -7.1616 -7.1570 -6.9593 -6.9588 -6.8773 -6.8741 -2.0972 -2.0513 -2.0131 -1.9893 -0.8454 -0.6974 -0.5594 -0.4737 -0.4000 -0.3384 -0.0933 -0.0279 0.0644 0.1319 0.4476 0.5459 1.8263 1.8490 2.2850 2.2959 2.4542 2.4711 3.3332 3.4036 3.4616 3.4700 4.0707 4.0990 4.1919 4.2048 4.2707 4.2875 4.5666 4.6031 7.7054 7.7228 8.8386 8.8445 9.7681 9.8127 10.0204 10.0558 k =-0.1311 0.1734 0.8288 ( 4972 PWs) bands (ev): -7.2924 -7.2874 -7.1709 -7.1660 -6.9548 -6.9541 -6.8774 -6.8739 -2.1062 -2.0552 -2.0159 -1.9905 -0.8594 -0.7027 -0.5584 -0.4705 -0.3901 -0.3380 -0.0571 0.0103 0.0877 0.1647 0.4499 0.5578 1.8314 1.8554 2.2838 2.2955 2.4597 2.4768 3.2842 3.3653 3.4427 3.4470 4.0566 4.0865 4.1852 4.1968 4.2443 4.2678 4.5553 4.5898 7.7441 7.7636 8.8641 8.8707 9.7568 9.7985 10.0014 10.0446 k =-0.1431 0.1891 0.8288 ( 4974 PWs) bands (ev): -7.2917 -7.2864 -7.1808 -7.1758 -6.9497 -6.9488 -6.8769 -6.8732 -2.1146 -2.0593 -2.0196 -1.9914 -0.8719 -0.7085 -0.5568 -0.4696 -0.3813 -0.3382 -0.0228 0.0437 0.1179 0.2047 0.4531 0.5698 1.8374 1.8624 2.2830 2.2954 2.4652 2.4824 3.2344 3.3236 3.4236 3.4257 4.0418 4.0730 4.1759 4.1887 4.2192 4.2508 4.5427 4.5748 7.7830 7.8046 8.8898 8.8969 9.7326 9.7685 9.9768 10.0280 k =-0.1431 0.1891 0.8288 ( 4974 PWs) bands (ev): -7.2917 -7.2864 -7.1808 -7.1758 -6.9497 -6.9488 -6.8769 -6.8732 -2.1146 -2.0593 -2.0196 -1.9914 -0.8719 -0.7085 -0.5568 -0.4696 -0.3813 -0.3382 -0.0228 0.0437 0.1179 0.2047 0.4531 0.5698 1.8374 1.8624 2.2830 2.2954 2.4652 2.4824 3.2344 3.3236 3.4236 3.4257 4.0418 4.0730 4.1759 4.1887 4.2192 4.2508 4.5427 4.5748 7.7830 7.8046 8.8898 8.8969 9.7326 9.7685 9.9768 10.0280 k =-0.1516 0.2003 0.8147 ( 4968 PWs) bands (ev): -7.2904 -7.2848 -7.1930 -7.1874 -6.9359 -6.9348 -6.8827 -6.8790 -2.1198 -2.0611 -2.0224 -1.9937 -0.8797 -0.7149 -0.5537 -0.4700 -0.3769 -0.3438 0.0028 0.0702 0.1629 0.2558 0.4357 0.5555 1.8422 1.8677 2.2829 2.2985 2.4682 2.4811 3.1984 3.2903 3.4183 3.4225 4.0292 4.0666 4.1498 4.1865 4.2117 4.2495 4.5226 4.5534 7.8120 7.8346 8.9122 8.9195 9.6886 9.7215 9.9634 10.0194 k =-0.1601 0.2116 0.8006 ( 4970 PWs) bands (ev): -7.2908 -7.2850 -7.2042 -7.1983 -6.9230 -6.9219 -6.8862 -6.8828 -2.1247 -2.0632 -2.0252 -1.9958 -0.8865 -0.7214 -0.5498 -0.4711 -0.3741 -0.3486 0.0293 0.0971 0.2104 0.3086 0.4187 0.5417 1.8485 1.8745 2.2718 2.2933 2.4788 2.4895 3.1627 3.2576 3.4142 3.4194 4.0054 4.0462 4.1196 4.1608 4.2245 4.2631 4.5021 4.5316 7.8458 7.8694 8.9371 8.9445 9.6382 9.6690 9.9438 10.0041 k =-0.1686 0.2228 0.7865 ( 4966 PWs) bands (ev): -7.2928 -7.2869 -7.2143 -7.2083 -6.9151 -6.9147 -6.8831 -6.8811 -2.1291 -2.0654 -2.0280 -1.9976 -0.8922 -0.7279 -0.5451 -0.4726 -0.3747 -0.3508 0.0569 0.1248 0.2592 0.3627 0.4026 0.5289 1.8560 1.8827 2.2541 2.2807 2.4939 2.5048 3.1287 3.2263 3.4105 3.4159 3.9708 4.0098 4.0955 4.1328 4.2400 4.2798 4.4824 4.5110 7.8838 7.9083 8.9640 8.9713 9.5834 9.6128 9.9183 9.9819 k =-0.1770 0.2341 0.7724 ( 4958 PWs) bands (ev): -7.2963 -7.2906 -7.2231 -7.2173 -6.9161 -6.9144 -6.8716 -6.8709 -2.1332 -2.0679 -2.0308 -1.9991 -0.8970 -0.7344 -0.5397 -0.4745 -0.3798 -0.3495 0.0858 0.1532 0.3066 0.3889 0.4173 0.5181 1.8645 1.8920 2.2328 2.2633 2.5109 2.5231 3.0976 3.1972 3.4068 3.4118 3.9271 3.9632 4.0733 4.1043 4.2556 4.2960 4.4643 4.4931 7.9254 7.9508 8.9922 8.9994 9.5257 9.5542 9.8879 9.9535 k =-0.1855 0.2453 0.7584 ( 4960 PWs) bands (ev): -7.3009 -7.2957 -7.2305 -7.2252 -6.9209 -6.9185 -6.8566 -6.8554 -2.1369 -2.0706 -2.0336 -2.0003 -0.9008 -0.7407 -0.5340 -0.4763 -0.3878 -0.3464 0.1160 0.1823 0.3406 0.3875 0.4696 0.5138 1.8740 1.9024 2.2097 2.2429 2.5274 2.5418 3.0705 3.1709 3.4027 3.4069 3.8768 3.9118 4.0483 4.0742 4.2707 4.3106 4.4489 4.4796 7.9700 7.9960 9.0208 9.0279 9.4664 9.4943 9.8540 9.9205 k =-0.1940 0.2565 0.7443 ( 4960 PWs) bands (ev): -7.3066 -7.3021 -7.2366 -7.2321 -6.9268 -6.9242 -6.8402 -6.8385 -2.1402 -2.0736 -2.0363 -2.0012 -0.9037 -0.7467 -0.5283 -0.4778 -0.3974 -0.3426 0.1473 0.2120 0.3404 0.4129 0.5010 0.5400 1.8843 1.9135 2.1861 2.2211 2.5414 2.5595 3.0485 3.1479 3.3979 3.4009 3.8225 3.8581 4.0189 4.0415 4.2846 4.3227 4.4367 4.4716 8.0169 8.0431 9.0490 9.0559 9.4068 9.4341 9.8185 9.8852 k =-0.2025 0.2678 0.7302 ( 4965 PWs) bands (ev): -7.3130 -7.3094 -7.2416 -7.2380 -6.9331 -6.9303 -6.8234 -6.8214 -2.1431 -2.0767 -2.0391 -2.0016 -0.9058 -0.7524 -0.5229 -0.4785 -0.4080 -0.3389 0.1795 0.2419 0.3283 0.4305 0.5277 0.5924 1.8952 1.9254 2.1624 2.1988 2.5512 2.5754 3.0322 3.1285 3.3918 3.3935 3.7662 3.8032 3.9850 4.0060 4.2968 4.3319 4.4287 4.4695 8.0653 8.0915 9.0750 9.0820 9.3483 9.3749 9.7834 9.8502 k =-0.2110 0.2790 0.7161 ( 4959 PWs) bands (ev): -7.3199 -7.3172 -7.2457 -7.2429 -6.9395 -6.9366 -6.8068 -6.8045 -2.1455 -2.0800 -2.0418 -2.0017 -0.9072 -0.7576 -0.5185 -0.4781 -0.4192 -0.3354 0.2123 0.2707 0.3158 0.4309 0.5718 0.6473 1.9067 1.9378 2.1393 2.1765 2.5563 2.5890 3.0219 3.1131 3.3829 3.3847 3.7099 3.7480 3.9474 3.9680 4.3067 4.3383 4.4253 4.4727 8.1146 8.1403 9.0963 9.1043 9.2933 9.3184 9.7509 9.8176 k =-0.2195 0.2902 0.7020 ( 4955 PWs) bands (ev): -7.3271 -7.3251 -7.2490 -7.2470 -6.9457 -6.9429 -6.7906 -6.7881 -2.1476 -2.0834 -2.0446 -2.0015 -0.9078 -0.7623 -0.5157 -0.4761 -0.4307 -0.3322 0.2449 0.2886 0.3142 0.4247 0.6233 0.7018 1.9188 1.9506 2.1173 2.1550 2.5563 2.5995 3.0177 3.1020 3.3695 3.3744 3.6555 3.6935 3.9074 3.9284 4.3142 4.3423 4.4266 4.4801 8.1640 8.1887 9.1079 9.1189 9.2462 9.2679 9.7229 9.7894 k =-0.2280 0.3015 0.6879 ( 4951 PWs) bands (ev): -7.3345 -7.3329 -7.2519 -7.2502 -6.9518 -6.9490 -6.7751 -6.7724 -2.1492 -2.0869 -2.0474 -2.0009 -0.9079 -0.7662 -0.5146 -0.4733 -0.4415 -0.3294 0.2712 0.2867 0.3372 0.4180 0.6771 0.7549 1.9313 1.9637 2.0966 2.1349 2.5519 2.6064 3.0189 3.0950 3.3506 3.3608 3.6053 3.6410 3.8664 3.8881 4.3193 4.3446 4.4321 4.4905 8.2128 8.2360 9.1007 9.1177 9.2156 9.2306 9.7016 9.7675 k =-0.2365 0.3127 0.6738 ( 4956 PWs) bands (ev): -7.3419 -7.3403 -7.2543 -7.2528 -6.9577 -6.9549 -6.7604 -6.7576 -2.1505 -2.0903 -2.0503 -2.0000 -0.9075 -0.7694 -0.5149 -0.4728 -0.4487 -0.3270 0.2644 0.3107 0.3622 0.4155 0.7307 0.8059 1.9443 1.9770 2.0780 2.1167 2.5439 2.6096 3.0243 3.0920 3.3243 3.3424 3.5615 3.5926 3.8256 3.8483 4.3224 4.3460 4.4409 4.5028 8.2602 8.2815 9.0717 9.0933 9.2046 9.2131 9.6885 9.7530 k =-0.2450 0.3239 0.6597 ( 4956 PWs) bands (ev): -7.3491 -7.3472 -7.2564 -7.2546 -6.9633 -6.9606 -6.7466 -6.7438 -2.1515 -2.0937 -2.0531 -1.9989 -0.9067 -0.7716 -0.5161 -0.4795 -0.4477 -0.3250 0.2513 0.3328 0.3827 0.4248 0.7831 0.8540 1.9577 1.9900 2.0618 2.1016 2.5333 2.6090 3.0329 3.0923 3.2894 3.3175 3.5252 3.5510 3.7863 3.8101 4.3241 4.3469 4.4520 4.5160 8.3056 8.3246 9.0321 9.0543 9.2011 9.2078 9.6847 9.7466 k =-0.2535 0.3352 0.6457 ( 4959 PWs) bands (ev): -7.3559 -7.3535 -7.2580 -7.2559 -6.9687 -6.9660 -6.7340 -6.7310 -2.1521 -2.0969 -2.0559 -1.9975 -0.9058 -0.7727 -0.5178 -0.4909 -0.4414 -0.3233 0.2377 0.3396 0.4052 0.4461 0.8332 0.8986 1.9710 2.0022 2.0492 2.0908 2.5209 2.6048 3.0433 3.0942 3.2474 3.2847 3.4952 3.5192 3.7495 3.7743 4.3248 4.3475 4.4645 4.5295 8.3483 8.3646 8.9910 9.0118 9.1964 9.2047 9.6898 9.7481 k =-0.2620 0.3464 0.6316 ( 4954 PWs) bands (ev): -7.3623 -7.3594 -7.2591 -7.2566 -6.9737 -6.9711 -6.7225 -6.7195 -2.1526 -2.1000 -2.0587 -1.9960 -0.9048 -0.7726 -0.5203 -0.5033 -0.4333 -0.3219 0.2242 0.3343 0.4334 0.4717 0.8801 0.9389 1.9831 2.0121 2.0415 2.0865 2.5078 2.5975 3.0535 3.0943 3.2036 3.2449 3.4702 3.4971 3.7163 3.7418 4.3248 4.3480 4.4777 4.5430 8.3877 8.4011 8.9523 8.9706 9.1891 9.1997 9.7028 9.7563 k =-0.2705 0.3576 0.6175 ( 4954 PWs) bands (ev): -7.3680 -7.3647 -7.2598 -7.2570 -6.9785 -6.9759 -6.7123 -6.7092 -2.1528 -2.1028 -2.0614 -1.9943 -0.9040 -0.7711 -0.5250 -0.5140 -0.4244 -0.3209 0.2107 0.3239 0.4635 0.4974 0.9229 0.9745 1.9917 2.0181 2.0418 2.0908 2.4946 2.5877 3.0582 3.0842 3.1683 3.2041 3.4503 3.4818 3.6872 3.7131 4.3244 4.3483 4.4913 4.5561 8.4231 8.4336 8.9177 8.9329 9.1799 9.1926 9.7216 9.7695 k =-0.2790 0.3689 0.6034 ( 4950 PWs) bands (ev): -7.3731 -7.3694 -7.2601 -7.2569 -6.9828 -6.9803 -6.7034 -6.7002 -2.1530 -2.1052 -2.0640 -1.9925 -0.9035 -0.7682 -0.5353 -0.5191 -0.4151 -0.3202 0.1972 0.3112 0.4931 0.5218 0.9605 1.0051 1.9948 2.0207 2.0519 2.1037 2.4823 2.5761 3.0337 3.0691 3.1436 3.1817 3.4347 3.4706 3.6629 3.6885 4.3237 4.3485 4.5048 4.5684 8.4539 8.4618 8.8883 8.8998 9.1700 9.1844 9.7440 9.7859 k =-0.2875 0.3801 0.5893 ( 4945 PWs) bands (ev): -7.3776 -7.3735 -7.2598 -7.2563 -6.9868 -6.9844 -6.6959 -6.6927 -2.1531 -2.1072 -2.0665 -1.9906 -0.9032 -0.7638 -0.5484 -0.5213 -0.4056 -0.3197 0.1838 0.2971 0.5212 0.5440 0.9918 1.0308 1.9949 2.0222 2.0691 2.1232 2.4716 2.5637 2.9833 3.0381 3.1328 3.1852 3.4224 3.4621 3.6434 3.6682 4.3228 4.3485 4.5179 4.5797 8.4796 8.4855 8.8646 8.8720 9.1609 9.1761 9.7677 9.8033 k =-0.2960 0.3913 0.5752 ( 4944 PWs) bands (ev): -7.3813 -7.3768 -7.2591 -7.2554 -6.9904 -6.9880 -6.6898 -6.6865 -2.1532 -2.1088 -2.0687 -1.9887 -0.9034 -0.7578 -0.5619 -0.5227 -0.3961 -0.3194 0.1703 0.2821 0.5472 0.5635 1.0156 1.0521 1.9941 2.0244 2.0907 2.1473 2.4633 2.5515 2.9267 2.9870 3.1389 3.1982 3.4128 3.4556 3.6288 3.6521 4.3217 4.3483 4.5303 4.5899 8.4996 8.5046 8.8467 8.8505 9.1535 9.1689 9.7907 9.8203 k =-0.3045 0.4026 0.5611 ( 4938 PWs) bands (ev): -7.3843 -7.3795 -7.2579 -7.2540 -6.9936 -6.9913 -6.6852 -6.6819 -2.1535 -2.1098 -2.0707 -1.9868 -0.9040 -0.7504 -0.5753 -0.5236 -0.3867 -0.3192 0.1569 0.2663 0.5704 0.5798 1.0312 1.0697 1.9934 2.0277 2.1151 2.1747 2.4583 2.5407 2.8690 2.9294 3.1508 3.2146 3.4057 3.4510 3.6189 3.6404 4.3205 4.3479 4.5417 4.5987 8.5138 8.5189 8.8331 8.8379 9.1486 9.1635 9.8111 9.8355 k =-0.3130 0.4138 0.5470 ( 4935 PWs) bands (ev): -7.3865 -7.3815 -7.2562 -7.2522 -6.9964 -6.9942 -6.6821 -6.6787 -2.1539 -2.1102 -2.0725 -1.9850 -0.9050 -0.7417 -0.5883 -0.5242 -0.3774 -0.3192 0.1434 0.2499 0.5889 0.5939 1.0388 1.0835 1.9927 2.0317 2.1414 2.2042 2.4574 2.5324 2.8126 2.8707 3.1648 3.2318 3.4013 3.4485 3.6130 3.6328 4.3193 4.3474 4.5520 4.6061 8.5224 8.5279 8.8245 8.8339 9.1465 9.1603 9.8271 9.8481 k =-0.3215 0.4250 0.5330 ( 4933 PWs) bands (ev): -7.3880 -7.3828 -7.2541 -7.2500 -6.9987 -6.9966 -6.6805 -6.6770 -2.1544 -2.1101 -2.0739 -1.9832 -0.9062 -0.7317 -0.6010 -0.5245 -0.3684 -0.3193 0.1299 0.2329 0.5990 0.6088 1.0396 1.0930 1.9918 2.0359 2.1684 2.2345 2.4613 2.5278 2.7593 2.8134 3.1796 3.2479 3.4004 3.4487 3.6105 3.6295 4.3180 4.3467 4.5610 4.6120 8.5256 8.5312 8.8228 8.8375 9.1473 9.1597 9.8372 9.8576 k =-0.3215 0.4250 0.5330 ( 4933 PWs) bands (ev): -7.3880 -7.3828 -7.2541 -7.2500 -6.9987 -6.9966 -6.6805 -6.6770 -2.1544 -2.1101 -2.0739 -1.9832 -0.9062 -0.7317 -0.6010 -0.5245 -0.3684 -0.3193 0.1299 0.2329 0.5990 0.6088 1.0396 1.0930 1.9918 2.0359 2.1684 2.2345 2.4613 2.5278 2.7593 2.8134 3.1796 3.2479 3.4004 3.4487 3.6105 3.6295 4.3180 4.3467 4.5610 4.6120 8.5256 8.5312 8.8228 8.8375 9.1473 9.1597 9.8372 9.8576 k =-0.3128 0.4136 0.5186 ( 4933 PWs) bands (ev): -7.3990 -7.3942 -7.2378 -7.2335 -7.0047 -7.0031 -6.6779 -6.6744 -2.1559 -2.1070 -2.0686 -1.9831 -0.9005 -0.7256 -0.5965 -0.5150 -0.3696 -0.3255 0.1447 0.2359 0.5799 0.5915 1.0484 1.1040 1.9716 2.0181 2.1496 2.2144 2.4496 2.5214 2.7382 2.7983 3.1556 3.2300 3.3923 3.4440 3.6118 3.6323 4.3328 4.3597 4.5705 4.6189 8.5630 8.5685 8.8827 8.8959 9.2015 9.2132 9.8636 9.8752 k =-0.3041 0.4021 0.5041 ( 4951 PWs) bands (ev): -7.4137 -7.4093 -7.2206 -7.2162 -7.0073 -7.0061 -6.6752 -6.6717 -2.1567 -2.1038 -2.0630 -1.9830 -0.8939 -0.7201 -0.5922 -0.5057 -0.3726 -0.3309 0.1542 0.2345 0.5625 0.5754 1.0614 1.1178 1.9505 1.9995 2.1318 2.1930 2.4393 2.5159 2.7176 2.7831 3.1328 3.2137 3.3839 3.4362 3.6232 3.6429 4.3434 4.3682 4.5778 4.6235 8.5961 8.6015 8.9450 8.9565 9.2498 9.2617 9.8815 9.8889 k =-0.2955 0.3906 0.4897 ( 4955 PWs) bands (ev): -7.4317 -7.4279 -7.2027 -7.1982 -7.0067 -7.0059 -6.6725 -6.6689 -2.1569 -2.1006 -2.0570 -1.9828 -0.8866 -0.7152 -0.5877 -0.4971 -0.3775 -0.3351 0.1584 0.2287 0.5472 0.5607 1.0780 1.1338 1.9284 1.9802 2.1155 2.1706 2.4308 2.5111 2.6981 2.7677 3.1109 3.1976 3.3774 3.4282 3.6422 3.6599 4.3496 4.3720 4.5831 4.6259 8.6245 8.6297 9.0094 9.0191 9.2919 9.3047 9.8945 9.9011 k =-0.2868 0.3791 0.4753 ( 4961 PWs) bands (ev): -7.4527 -7.4493 -7.1843 -7.1797 -7.0032 -7.0028 -6.6698 -6.6662 -2.1563 -2.0974 -2.0509 -1.9828 -0.8785 -0.7112 -0.5830 -0.4898 -0.3836 -0.3383 0.1574 0.2194 0.5340 0.5473 1.0973 1.1514 1.9055 1.9608 2.1008 2.1478 2.4240 2.5064 2.6803 2.7519 3.0901 3.1811 3.3746 3.4225 3.6668 3.6819 4.3509 4.3710 4.5863 4.6261 8.6478 8.6529 9.0752 9.0831 9.3278 9.3423 9.9045 9.9118 k =-0.2781 0.3676 0.4609 ( 4961 PWs) bands (ev): -7.4762 -7.4732 -7.1654 -7.1607 -6.9974 -6.9972 -6.6671 -6.6635 -2.1551 -2.0941 -2.0445 -1.9828 -0.8697 -0.7082 -0.5780 -0.4846 -0.3897 -0.3408 0.1512 0.2078 0.5227 0.5349 1.1181 1.1704 1.8820 1.9418 2.0878 2.1253 2.4184 2.5006 2.6654 2.7358 3.0712 3.1643 3.3759 3.4201 3.6954 3.7081 4.3470 4.3651 4.5875 4.6243 8.6658 8.6708 9.1413 9.1482 9.3582 9.3750 9.9126 9.9209 k =-0.2694 0.3561 0.4465 ( 4965 PWs) bands (ev): -7.5016 -7.4990 -7.1460 -7.1413 -6.9897 -6.9892 -6.6644 -6.6608 -2.1531 -2.0908 -2.0380 -1.9830 -0.8603 -0.7063 -0.5726 -0.4825 -0.3943 -0.3429 0.1401 0.1954 0.5128 0.5231 1.1392 1.1904 1.8586 1.9238 2.0762 2.1035 2.4136 2.4927 2.6541 2.7191 3.0558 3.1486 3.3809 3.4211 3.7271 3.7376 4.3374 4.3548 4.5870 4.6207 8.6781 8.6828 9.2055 9.2139 9.3845 9.4044 9.9191 9.9284 k =-0.2607 0.3446 0.4321 ( 4965 PWs) bands (ev): -7.5285 -7.5263 -7.1263 -7.1216 -6.9804 -6.9796 -6.6617 -6.6581 -2.1505 -2.0875 -2.0315 -1.9832 -0.8503 -0.7056 -0.5670 -0.4844 -0.3961 -0.3447 0.1245 0.1834 0.5039 0.5115 1.1593 1.2113 1.8360 1.9070 2.0660 2.0828 2.4089 2.4818 2.6462 2.7012 3.0458 3.1358 3.3887 3.4250 3.7613 3.7699 4.3219 4.3402 4.5848 4.6154 8.6843 8.6887 9.2645 9.2783 9.4093 9.4332 9.9243 9.9347 k =-0.2520 0.3331 0.4177 ( 4971 PWs) bands (ev): -7.5565 -7.5546 -7.1063 -7.1016 -6.9698 -6.9687 -6.6590 -6.6554 -2.1473 -2.0841 -2.0250 -1.9836 -0.8397 -0.7059 -0.5612 -0.4902 -0.3950 -0.3464 0.1056 0.1723 0.4955 0.4999 1.1773 1.2327 1.8150 1.8918 2.0571 2.0637 2.4040 2.4682 2.6402 2.6818 3.0432 3.1282 3.3980 3.4310 3.7974 3.8046 4.3006 4.3217 4.5810 4.6086 8.6839 8.6881 9.3138 9.3352 9.4388 9.4662 9.9285 9.9400 k =-0.2433 0.3217 0.4033 ( 4971 PWs) bands (ev): -7.5853 -7.5835 -7.0862 -7.0815 -6.9581 -6.9568 -6.6563 -6.6527 -2.1434 -2.0806 -2.0185 -1.9841 -0.8287 -0.7073 -0.5559 -0.4987 -0.3916 -0.3476 0.0846 0.1621 0.4870 0.4884 1.1926 1.2536 1.7963 1.8781 2.0465 2.0499 2.3987 2.4525 2.6337 2.6606 3.0494 3.1278 3.4079 3.4381 3.8351 3.8411 4.2741 4.2991 4.5760 4.6008 8.6767 8.6807 9.3479 9.3743 9.4830 9.5084 9.9320 9.9447 k =-0.2346 0.3102 0.3889 ( 4987 PWs) bands (ev): -7.6145 -7.6130 -7.0659 -7.0612 -6.9456 -6.9441 -6.6536 -6.6502 -2.1389 -2.0771 -2.0122 -1.9847 -0.8174 -0.7096 -0.5517 -0.5084 -0.3872 -0.3482 0.0627 0.1528 0.4758 0.4791 1.2051 1.2729 1.7805 1.8660 2.0318 2.0444 2.3928 2.4355 2.6228 2.6397 3.0652 3.1361 3.4172 3.4455 3.8741 3.8794 4.2429 4.2725 4.5701 4.5921 8.6623 8.6662 9.3664 9.3940 9.5424 9.5599 9.9341 9.9483 k =-0.2259 0.2987 0.3745 ( 4979 PWs) bands (ev): -7.6439 -7.6425 -7.0456 -7.0409 -6.9326 -6.9309 -6.6510 -6.6476 -2.1339 -2.0736 -2.0061 -1.9854 -0.8060 -0.7123 -0.5501 -0.5171 -0.3829 -0.3476 0.0409 0.1443 0.4634 0.4702 1.2149 1.2895 1.7681 1.8549 2.0200 2.0412 2.3864 2.4176 2.6024 2.6239 3.0904 3.1537 3.4253 3.4524 3.9139 3.9190 4.2075 4.2423 4.5635 4.5831 8.6402 8.6443 9.3730 9.4014 9.6050 9.6168 9.9229 9.9450 k =-0.2172 0.2872 0.3601 ( 4975 PWs) bands (ev): -7.6733 -7.6720 -7.0252 -7.0207 -6.9191 -6.9173 -6.6485 -6.6452 -2.1284 -2.0700 -2.0005 -1.9862 -0.7952 -0.7150 -0.5529 -0.5226 -0.3796 -0.3451 0.0200 0.1366 0.4506 0.4608 1.2222 1.3025 1.7590 1.8446 2.0118 2.0408 2.3789 2.3993 2.5768 2.6102 3.1243 3.1804 3.4313 3.4581 3.9542 3.9597 4.1687 4.2089 4.5566 4.5742 8.6105 8.6149 9.3705 9.4002 9.6524 9.6785 9.8720 9.9245 k =-0.2086 0.2757 0.3457 ( 4983 PWs) bands (ev): -7.7024 -7.7013 -7.0049 -7.0005 -6.9054 -6.9035 -6.6460 -6.6428 -2.1225 -2.0663 -1.9955 -1.9866 -0.7859 -0.7165 -0.5603 -0.5246 -0.3777 -0.3410 0.0004 0.1300 0.4375 0.4510 1.2272 1.3115 1.7527 1.8343 2.0077 2.0435 2.3689 2.3816 2.5506 2.5960 3.1656 3.2153 3.4349 3.4619 3.9941 4.0012 4.1271 4.1731 4.5500 4.5657 8.5730 8.5778 9.3598 9.3910 9.6682 9.7212 9.8294 9.9034 k =-0.1999 0.2642 0.3313 ( 4967 PWs) bands (ev): -7.7312 -7.7302 -6.9848 -6.9805 -6.8916 -6.8896 -6.6436 -6.6404 -2.1162 -2.0627 -1.9922 -1.9859 -0.7797 -0.7151 -0.5699 -0.5255 -0.3768 -0.3355 -0.0174 0.1243 0.4242 0.4407 1.2305 1.3166 1.7484 1.8238 2.0083 2.0496 2.3525 2.3673 2.5263 2.5818 3.2129 3.2573 3.4357 3.4634 4.0307 4.0431 4.0847 4.1373 4.5439 4.5583 8.5278 8.5330 9.3400 9.3727 9.6405 9.6895 9.8570 9.9147 k =-0.1912 0.2527 0.3169 ( 4963 PWs) bands (ev): -7.7595 -7.7586 -6.9649 -6.9607 -6.8778 -6.8758 -6.6412 -6.6382 -2.1095 -2.0591 -1.9917 -1.9829 -0.7780 -0.7092 -0.5799 -0.5268 -0.3765 -0.3297 -0.0328 0.1197 0.4107 0.4300 1.2325 1.3184 1.7448 1.8127 2.0138 2.0590 2.3307 2.3540 2.5057 2.5690 3.2646 3.3044 3.4344 3.4622 4.0315 4.0610 4.0857 4.1151 4.5389 4.5523 8.4753 8.4808 9.3092 9.3433 9.5863 9.6243 9.9148 9.9433 k =-0.1825 0.2412 0.3025 ( 4959 PWs) bands (ev): -7.7872 -7.7863 -6.9452 -6.9412 -6.8641 -6.8620 -6.6390 -6.6361 -2.1026 -2.0555 -1.9924 -1.9792 -0.7808 -0.6990 -0.5897 -0.5292 -0.3764 -0.3240 -0.0456 0.1163 0.3970 0.4189 1.2336 1.3177 1.7411 1.8012 2.0237 2.0714 2.3061 2.3383 2.4902 2.5585 3.3177 3.3540 3.4331 3.4584 3.9886 4.0363 4.1274 4.1371 4.5353 4.5481 8.4156 8.4213 9.2653 9.3005 9.5251 9.5579 9.9665 9.9727 k =-0.1738 0.2298 0.2881 ( 4961 PWs) bands (ev): -7.8141 -7.8133 -6.9259 -6.9220 -6.8506 -6.8485 -6.6368 -6.6341 -2.0956 -2.0520 -1.9935 -1.9757 -0.7865 -0.6855 -0.5990 -0.5325 -0.3764 -0.3192 -0.0554 0.1141 0.3832 0.4077 1.2345 1.3154 1.7365 1.7892 2.0371 2.0860 2.2799 2.3191 2.4805 2.5510 3.3618 3.4002 3.4414 3.4554 3.9442 3.9982 4.1686 4.1757 4.5333 4.5459 8.3494 8.3551 9.2078 9.2436 9.4660 9.4961 9.9951 10.0095 k =-0.1651 0.2183 0.2737 ( 4963 PWs) bands (ev): -7.8402 -7.8394 -6.9070 -6.9033 -6.8374 -6.8353 -6.6348 -6.6322 -2.0884 -2.0486 -1.9946 -1.9726 -0.7938 -0.6702 -0.6078 -0.5363 -0.3768 -0.3157 -0.0621 0.1131 0.3693 0.3963 1.2355 1.3125 1.7309 1.7772 2.0523 2.1018 2.2527 2.2970 2.4764 2.5468 3.3730 3.4298 3.4579 3.4874 3.9025 3.9599 4.2090 4.2167 4.5331 4.5459 8.2773 8.2828 9.1386 9.1745 9.4105 9.4389 10.0206 10.0410 k =-0.1564 0.2068 0.2593 ( 4971 PWs) bands (ev): -7.8653 -7.8646 -6.8885 -6.8850 -6.8245 -6.8224 -6.6328 -6.6304 -2.0812 -2.0453 -1.9958 -1.9701 -0.8020 -0.6545 -0.6157 -0.5401 -0.3776 -0.3136 -0.0658 0.1134 0.3553 0.3849 1.2374 1.3098 1.7243 1.7653 2.0668 2.1173 2.2260 2.2737 2.4768 2.5461 3.3626 3.4205 3.5059 3.5358 3.8678 3.9265 4.2488 4.2579 4.5347 4.5482 8.1999 8.2049 9.0615 9.0973 9.3570 9.3839 10.0474 10.0704 k =-0.1477 0.1953 0.2449 ( 4973 PWs) bands (ev): -7.8895 -7.8889 -6.8706 -6.8673 -6.8120 -6.8099 -6.6310 -6.6287 -2.0740 -2.0421 -1.9969 -1.9682 -0.8103 -0.6426 -0.6190 -0.5432 -0.3791 -0.3131 -0.0666 0.1150 0.3412 0.3735 1.2404 1.3079 1.7171 1.7537 2.0772 2.1299 2.2023 2.2513 2.4811 2.5488 3.3452 3.4048 3.5489 3.5775 3.8476 3.9041 4.2875 4.2986 4.5381 4.5526 8.1179 8.1224 8.9803 9.0157 9.3035 9.3288 10.0759 10.1003 k =-0.1390 0.1838 0.2305 ( 4973 PWs) bands (ev): -7.9126 -7.9120 -6.8532 -6.8502 -6.7999 -6.7979 -6.6293 -6.6272 -2.0669 -2.0391 -1.9979 -1.9670 -0.8183 -0.6440 -0.6092 -0.5450 -0.3814 -0.3139 -0.0649 0.1179 0.3271 0.3624 1.2450 1.3075 1.7097 1.7428 2.0790 2.1341 2.1867 2.2329 2.4887 2.5547 3.3246 3.3866 3.5722 3.6014 3.8522 3.9017 4.3250 4.3383 4.5431 4.5590 8.0322 8.0361 8.8978 8.9328 9.2487 9.2724 10.1060 10.1309 k =-0.1303 0.1723 0.2161 ( 4975 PWs) bands (ev): -7.9346 -7.9340 -6.8365 -6.8337 -6.7884 -6.7865 -6.6277 -6.6258 -2.0601 -2.0363 -1.9987 -1.9663 -0.8259 -0.6526 -0.5931 -0.5446 -0.3847 -0.3158 -0.0612 0.1219 0.3130 0.3514 1.2517 1.3091 1.7024 1.7325 2.0692 2.1239 2.1836 2.2212 2.4994 2.5637 3.3027 3.3670 3.5692 3.6026 3.8856 3.9257 4.3610 4.3768 4.5495 4.5671 7.9437 7.9467 8.8162 8.8505 9.1923 9.2143 10.1373 10.1623 k =-0.1217 0.1608 0.2017 ( 4967 PWs) bands (ev): -7.9554 -7.9549 -6.8205 -6.8179 -6.7774 -6.7756 -6.6263 -6.6246 -2.0534 -2.0337 -1.9994 -1.9661 -0.8327 -0.6632 -0.5775 -0.5406 -0.3888 -0.3185 -0.0562 0.1268 0.2990 0.3407 1.2606 1.3130 1.6956 1.7232 2.0496 2.1033 2.1861 2.2154 2.5131 2.5755 3.2807 3.3468 3.5472 3.5853 3.9392 3.9724 4.3952 4.4139 4.5571 4.5767 7.8530 7.8551 8.7367 8.7701 9.1346 9.1548 10.1694 10.1940 k =-0.1130 0.1493 0.1873 ( 4975 PWs) bands (ev): -7.9749 -7.9745 -6.8052 -6.8028 -6.7670 -6.7653 -6.6250 -6.6235 -2.0471 -2.0312 -1.9999 -1.9666 -0.8387 -0.6746 -0.5657 -0.5307 -0.3939 -0.3216 -0.0502 0.1325 0.2851 0.3304 1.2721 1.3196 1.6895 1.7150 2.0246 2.0776 2.1873 2.2108 2.5297 2.5899 3.2598 3.3268 3.5166 3.5571 4.0038 4.0329 4.4275 4.4494 4.5655 4.5874 7.7611 7.7624 8.6605 8.6927 9.0762 9.0947 10.2017 10.2255 k =-0.1043 0.1379 0.1729 ( 4965 PWs) bands (ev): -7.9932 -7.9928 -6.7908 -6.7886 -6.7572 -6.7556 -6.6239 -6.6225 -2.0411 -2.0290 -2.0003 -1.9676 -0.8436 -0.6866 -0.5580 -0.5152 -0.3998 -0.3247 -0.0436 0.1385 0.2714 0.3205 1.2862 1.3292 1.6844 1.7079 1.9970 2.0496 2.1843 2.2036 2.5489 2.6064 3.2409 3.3076 3.4832 3.5239 4.0739 4.1004 4.4577 4.4829 4.5745 4.5991 7.6688 7.6695 8.5882 8.6190 9.0180 9.0347 10.2337 10.2562 k =-0.0956 0.1264 0.1584 ( 4965 PWs) bands (ev): -8.0102 -8.0098 -6.7772 -6.7753 -6.7481 -6.7466 -6.6229 -6.6217 -2.0355 -2.0268 -2.0004 -1.9691 -0.8474 -0.6988 -0.5522 -0.4969 -0.4063 -0.3278 -0.0368 0.1445 0.2582 0.3111 1.3031 1.3420 1.6806 1.7022 1.9684 2.0204 2.1759 2.1916 2.5704 2.6245 3.2248 3.2896 3.4499 3.4892 4.1464 4.1709 4.4855 4.5142 4.5840 4.6114 7.5766 7.5777 8.5205 8.5496 8.9607 8.9757 10.2649 10.2856 k =-0.0869 0.1149 0.1440 ( 4957 PWs) bands (ev): -8.0258 -8.0254 -6.7645 -6.7629 -6.7397 -6.7383 -6.6221 -6.6211 -2.0303 -2.0248 -2.0004 -1.9710 -0.8501 -0.7112 -0.5466 -0.4777 -0.4133 -0.3306 -0.0299 0.1496 0.2459 0.3022 1.3228 1.3581 1.6781 1.6980 1.9397 1.9909 2.1618 2.1742 2.5932 2.6436 3.2119 3.2731 3.4183 3.4549 4.2194 4.2422 4.5107 4.5429 4.5939 4.6241 7.4858 7.4876 8.4578 8.4850 8.9053 8.9187 10.2948 10.3130 k =-0.0782 0.1034 0.1296 ( 4949 PWs) bands (ev): -8.0400 -8.0396 -6.7529 -6.7514 -6.7320 -6.7307 -6.6215 -6.6206 -2.0256 -2.0229 -2.0003 -1.9733 -0.8517 -0.7235 -0.5408 -0.4587 -0.4205 -0.3330 -0.0230 0.1531 0.2351 0.2939 1.3452 1.3776 1.6772 1.6953 1.9112 1.9613 2.1422 2.1514 2.6168 2.6631 3.2022 3.2583 3.3895 3.4220 4.2913 4.3126 4.5334 4.5683 4.6045 4.6369 7.3977 7.4002 8.4004 8.4255 8.8526 8.8643 10.3229 10.3379 k =-0.0695 0.0919 0.1152 ( 4959 PWs) bands (ev): -8.0528 -8.0525 -6.7422 -6.7410 -6.7250 -6.7238 -6.6210 -6.6203 -2.0216 -2.0207 -2.0002 -1.9760 -0.8521 -0.7356 -0.5348 -0.4408 -0.4275 -0.3351 -0.0159 0.1536 0.2268 0.2863 1.3702 1.4004 1.6778 1.6944 1.8832 1.9320 2.1175 2.1239 2.6402 2.6821 3.1957 3.2450 3.3640 3.3915 4.3610 4.3805 4.5536 4.5891 4.6170 4.6495 7.3134 7.3165 8.3487 8.3715 8.8033 8.8135 10.3487 10.3599 k =-0.0608 0.0804 0.1008 ( 4955 PWs) bands (ev): -8.0641 -8.0638 -6.7327 -6.7316 -6.7187 -6.7177 -6.6206 -6.6201 -2.0192 -2.0173 -2.0000 -1.9789 -0.8513 -0.7475 -0.5284 -0.4365 -0.4220 -0.3367 -0.0085 0.1502 0.2221 0.2792 1.3975 1.4263 1.6801 1.6952 1.8559 1.9030 2.0887 2.0927 2.6628 2.7002 3.1916 3.2331 3.3423 3.3638 4.4269 4.4446 4.5715 4.6040 4.6324 4.6615 7.2341 7.2376 8.3028 8.3232 8.7581 8.7669 10.3720 10.3789 k =-0.0521 0.0689 0.0864 ( 4963 PWs) bands (ev): -8.0740 -8.0737 -6.7243 -6.7234 -6.7132 -6.7123 -6.6204 -6.6200 -2.0172 -2.0139 -1.9998 -1.9820 -0.8495 -0.7590 -0.5220 -0.4434 -0.4065 -0.3380 -0.0008 0.1426 0.2209 0.2727 1.4270 1.4548 1.6841 1.6979 1.8293 1.8744 2.0567 2.0588 2.6840 2.7167 3.1894 3.2224 3.3245 3.3394 4.4872 4.5031 4.5879 4.6146 4.6492 4.6727 7.1612 7.1649 8.2630 8.2807 8.7177 8.7251 10.3921 10.3951 k =-0.0434 0.0574 0.0720 ( 4963 PWs) bands (ev): -8.0823 -8.0822 -6.7171 -6.7164 -6.7084 -6.7076 -6.6204 -6.6200 -2.0150 -2.0109 -1.9997 -1.9852 -0.8465 -0.7701 -0.5154 -0.4506 -0.3924 -0.3390 0.0077 0.1319 0.2223 0.2667 1.4580 1.4854 1.6897 1.7023 1.8035 1.8463 2.0229 2.0239 2.7032 2.7311 3.1882 3.2132 3.3103 3.3190 4.5390 4.5535 4.6046 4.6242 4.6654 4.6827 7.0960 7.0997 8.2294 8.2443 8.6826 8.6886 10.4074 10.4102 k =-0.0348 0.0460 0.0576 ( 4961 PWs) bands (ev): -8.0892 -8.0891 -6.7113 -6.7107 -6.7043 -6.7037 -6.6204 -6.6201 -2.0127 -2.0084 -1.9997 -1.9886 -0.8426 -0.7808 -0.5089 -0.4575 -0.3801 -0.3401 0.0169 0.1193 0.2253 0.2612 1.4902 1.5171 1.6967 1.7081 1.7789 1.8185 1.9890 1.9896 2.7202 2.7430 3.1871 3.2056 3.2991 3.3032 4.5765 4.5907 4.6261 4.6372 4.6800 4.6911 7.0401 7.0434 8.2020 8.2141 8.6533 8.6580 10.4185 10.4235 k =-0.0261 0.0345 0.0432 ( 4961 PWs) bands (ev): -8.0946 -8.0945 -6.7069 -6.7064 -6.7009 -6.7004 -6.6204 -6.6203 -2.0103 -2.0062 -1.9999 -1.9919 -0.8377 -0.7909 -0.5025 -0.4643 -0.3698 -0.3413 0.0271 0.1055 0.2291 0.2561 1.5224 1.5484 1.7048 1.7147 1.7561 1.7912 1.9572 1.9579 2.7344 2.7519 3.1860 3.1994 3.2897 3.2928 4.5968 4.6093 4.6541 4.6576 4.6928 4.6977 6.9948 6.9975 8.1811 8.1902 8.6302 8.6337 10.4272 10.4331 k =-0.0174 0.0230 0.0288 ( 4969 PWs) bands (ev): -8.0984 -8.0983 -6.7038 -6.7035 -6.6982 -6.6979 -6.6205 -6.6204 -2.0077 -2.0045 -2.0002 -1.9952 -0.8318 -0.8005 -0.4962 -0.4709 -0.3613 -0.3431 0.0383 0.0914 0.2332 0.2512 1.5532 1.5763 1.7127 1.7205 1.7373 1.7648 1.9305 1.9313 2.7457 2.7575 3.1852 3.1944 3.2831 3.2864 4.6073 4.6160 4.6773 4.6794 4.7029 4.7040 6.9614 6.9634 8.1665 8.1726 8.6136 8.6160 10.4339 10.4390 k =-0.0087 0.0115 0.0144 ( 4969 PWs) bands (ev): -8.1007 -8.1006 -6.7020 -6.7018 -6.6965 -6.6964 -6.6206 -6.6205 -2.0049 -2.0031 -2.0007 -1.9984 -0.8251 -0.8094 -0.4899 -0.4773 -0.3545 -0.3457 0.0505 0.0773 0.2375 0.2465 1.5797 1.5949 1.7164 1.7237 1.7294 1.7414 1.9123 1.9129 2.7538 2.7598 3.1855 3.1902 3.2800 3.2822 4.6134 4.6178 4.6898 4.6936 4.7085 4.7119 6.9412 6.9422 8.1584 8.1614 8.6038 8.6050 10.4386 10.4416 k = 0.0000 0.0000 0.0000 ( 4965 PWs) bands (ev): -8.1014 -8.1014 -6.7013 -6.7013 -6.6959 -6.6959 -6.6206 -6.6206 -2.0027 -2.0027 -2.0008 -2.0008 -0.8176 -0.8176 -0.4836 -0.4836 -0.3494 -0.3494 0.0636 0.0636 0.2420 0.2420 1.5961 1.5961 1.7206 1.7206 1.7300 1.7300 1.9060 1.9060 2.7585 2.7585 3.1872 3.1872 3.2800 3.2800 4.6168 4.6168 4.6953 4.6953 4.7135 4.7135 6.9347 6.9347 8.1567 8.1567 8.6009 8.6009 10.4413 10.4413 k = 0.0000 0.0000 0.0000 ( 4965 PWs) bands (ev): -8.1014 -8.1014 -6.7013 -6.7013 -6.6959 -6.6959 -6.6206 -6.6206 -2.0027 -2.0027 -2.0008 -2.0008 -0.8176 -0.8176 -0.4836 -0.4836 -0.3494 -0.3494 0.0636 0.0636 0.2420 0.2420 1.5961 1.5961 1.7206 1.7206 1.7300 1.7300 1.9060 1.9060 2.7585 2.7585 3.1872 3.1872 3.2800 3.2800 4.6168 4.6168 4.6953 4.6953 4.7135 4.7135 6.9347 6.9347 8.1567 8.1567 8.6009 8.6009 10.4413 10.4413 k = 0.0161 0.0122 0.0000 ( 4965 PWs) bands (ev): -8.1007 -8.1007 -6.7013 -6.7013 -6.6959 -6.6959 -6.6217 -6.6217 -2.0078 -2.0078 -1.9961 -1.9961 -0.8179 -0.8179 -0.4828 -0.4828 -0.3499 -0.3499 0.0629 0.0629 0.2410 0.2410 1.5996 1.5996 1.7217 1.7217 1.7311 1.7311 1.9049 1.9049 2.7605 2.7605 3.1884 3.1884 3.2812 3.2812 4.6135 4.6135 4.6931 4.6931 4.7119 4.7119 6.9390 6.9390 8.1589 8.1589 8.6019 8.6019 10.4313 10.4313 k = 0.0323 0.0244 0.0000 ( 4961 PWs) bands (ev): -8.0983 -8.0983 -6.7015 -6.7015 -6.6960 -6.6960 -6.6253 -6.6253 -2.0142 -2.0142 -1.9911 -1.9911 -0.8186 -0.8186 -0.4803 -0.4803 -0.3513 -0.3513 0.0606 0.0606 0.2384 0.2384 1.6099 1.6099 1.7250 1.7250 1.7343 1.7343 1.9015 1.9015 2.7664 2.7664 3.1920 3.1920 3.2850 3.2850 4.6036 4.6036 4.6865 4.6865 4.7069 4.7069 6.9516 6.9516 8.1655 8.1655 8.6050 8.6050 10.4022 10.4022 k = 0.0484 0.0366 0.0000 ( 4953 PWs) bands (ev): -8.0944 -8.0944 -6.7016 -6.7016 -6.6961 -6.6961 -6.6312 -6.6312 -2.0209 -2.0209 -1.9867 -1.9867 -0.8198 -0.8198 -0.4763 -0.4763 -0.3535 -0.3535 0.0564 0.0564 0.2347 0.2347 1.6266 1.6266 1.7305 1.7305 1.7398 1.7398 1.8960 1.8960 2.7760 2.7760 3.1981 3.1981 3.2912 3.2912 4.5871 4.5871 4.6762 4.6762 4.6988 4.6988 6.9723 6.9723 8.1763 8.1763 8.6101 8.6101 10.3555 10.3555 k = 0.0645 0.0488 0.0000 ( 4957 PWs) bands (ev): -8.0890 -8.0890 -6.7019 -6.7019 -6.6963 -6.6963 -6.6394 -6.6394 -2.0280 -2.0280 -1.9828 -1.9828 -0.8214 -0.8214 -0.4711 -0.4711 -0.3566 -0.3566 0.0500 0.0500 0.2310 0.2310 1.6491 1.6491 1.7382 1.7382 1.7475 1.7475 1.8886 1.8886 2.7892 2.7892 3.2064 3.2064 3.2998 3.2998 4.5640 4.5640 4.6625 4.6625 4.6875 4.6875 7.0005 7.0005 8.1912 8.1912 8.6172 8.6172 10.2937 10.2937 k = 0.0806 0.0610 0.0000 ( 4965 PWs) bands (ev): -8.0820 -8.0820 -6.7022 -6.7022 -6.6966 -6.6966 -6.6499 -6.6499 -2.0352 -2.0352 -1.9796 -1.9796 -0.8233 -0.8233 -0.4649 -0.4649 -0.3606 -0.3606 0.0409 0.0409 0.2284 0.2284 1.6763 1.6763 1.7482 1.7482 1.7576 1.7576 1.8796 1.8796 2.8056 2.8056 3.2171 3.2171 3.3108 3.3108 4.5349 4.5349 4.6459 4.6459 4.6731 4.6731 7.0353 7.0353 8.2099 8.2099 8.6266 8.6266 10.2193 10.2193 k = 0.0968 0.0732 0.0000 ( 4961 PWs) bands (ev): -8.0734 -8.0734 -6.7025 -6.7025 -6.6969 -6.6969 -6.6626 -6.6626 -2.0425 -2.0425 -1.9769 -1.9769 -0.8254 -0.8254 -0.4582 -0.4582 -0.3653 -0.3653 0.0289 0.0289 0.2280 0.2280 1.7068 1.7068 1.7605 1.7605 1.7704 1.7704 1.8697 1.8697 2.8250 2.8250 3.2300 3.2300 3.3240 3.3240 4.5003 4.5003 4.6267 4.6267 4.6558 4.6558 7.0761 7.0761 8.2319 8.2319 8.6383 8.6383 10.1348 10.1348 k = 0.1129 0.0854 0.0000 ( 4961 PWs) bands (ev): -8.0634 -8.0634 -6.7030 -6.7030 -6.6972 -6.6972 -6.6775 -6.6775 -2.0499 -2.0499 -1.9749 -1.9749 -0.8278 -0.8278 -0.4515 -0.4515 -0.3705 -0.3705 0.0141 0.0141 0.2304 0.2304 1.7378 1.7378 1.7747 1.7747 1.7869 1.7869 1.8600 1.8600 2.8470 2.8470 3.2450 3.2450 3.3392 3.3392 4.4612 4.4612 4.6051 4.6051 4.6358 4.6358 7.1218 7.1218 8.2568 8.2568 8.6523 8.6523 10.0424 10.0424 k = 0.1290 0.0976 0.0000 ( 4948 PWs) bands (ev): -8.0518 -8.0518 -6.7038 -6.7038 -6.6980 -6.6980 -6.6938 -6.6938 -2.0573 -2.0573 -1.9735 -1.9735 -0.8302 -0.8302 -0.4454 -0.4454 -0.3763 -0.3763 -0.0028 -0.0028 0.2360 0.2360 1.7657 1.7657 1.7899 1.7899 1.8068 1.8068 1.8550 1.8550 2.8713 2.8713 3.2620 3.2620 3.3564 3.3564 4.4185 4.4185 4.5811 4.5811 4.6132 4.6132 7.1715 7.1715 8.2841 8.2841 8.6688 8.6688 9.9441 9.9441 k = 0.1452 0.1098 0.0000 ( 4976 PWs) bands (ev): -8.0388 -8.0388 -6.7143 -6.7143 -6.7034 -6.7034 -6.6978 -6.6978 -2.0647 -2.0647 -1.9727 -1.9727 -0.8327 -0.8327 -0.4407 -0.4407 -0.3821 -0.3821 -0.0210 -0.0210 0.2449 0.2449 1.7880 1.7881 1.8029 1.8029 1.8196 1.8196 1.8701 1.8701 2.8975 2.8975 3.2808 3.2808 3.3753 3.3753 4.3731 4.3731 4.5550 4.5550 4.5884 4.5884 7.2244 7.2244 8.3133 8.3133 8.6878 8.6878 9.8416 9.8416 k = 0.1613 0.1220 0.0000 ( 4984 PWs) bands (ev): -8.0243 -8.0243 -6.7350 -6.7350 -6.7042 -6.7042 -6.6983 -6.6983 -2.0718 -2.0718 -1.9725 -1.9725 -0.8352 -0.8352 -0.4385 -0.4385 -0.3875 -0.3875 -0.0397 -0.0397 0.2570 0.2570 1.7945 1.7945 1.8149 1.8149 1.8328 1.8328 1.9059 1.9059 2.9253 2.9253 3.3014 3.3014 3.3958 3.3958 4.3260 4.3260 4.5270 4.5270 4.5615 4.5615 7.2793 7.2793 8.3438 8.3438 8.7094 8.7094 9.7364 9.7364 k = 0.1774 0.1342 0.0000 ( 4976 PWs) bands (ev): -8.0083 -8.0083 -6.7578 -6.7578 -6.7048 -6.7048 -6.6988 -6.6988 -2.0788 -2.0788 -1.9728 -1.9728 -0.8375 -0.8375 -0.4398 -0.4398 -0.3919 -0.3919 -0.0577 -0.0577 0.2721 0.2721 1.7833 1.7833 1.8353 1.8353 1.8517 1.8517 1.9490 1.9490 2.9544 2.9544 3.3235 3.3235 3.4176 3.4176 4.2779 4.2779 4.4972 4.4972 4.5330 4.5330 7.3354 7.3354 8.3750 8.3750 8.7336 8.7336 9.6298 9.6298 k = 0.1935 0.1464 0.0000 ( 4972 PWs) bands (ev): -7.9909 -7.9909 -6.7824 -6.7824 -6.7055 -6.7055 -6.6993 -6.6992 -2.0855 -2.0855 -1.9737 -1.9737 -0.8397 -0.8397 -0.4452 -0.4452 -0.3953 -0.3953 -0.0744 -0.0744 0.2902 0.2902 1.7684 1.7684 1.8575 1.8575 1.8729 1.8729 1.9946 1.9946 2.9844 2.9844 3.3469 3.3469 3.4404 3.4404 4.2297 4.2297 4.4659 4.4659 4.5030 4.5030 7.3916 7.3916 8.4067 8.4067 8.7599 8.7599 9.5229 9.5229 k = 0.2097 0.1586 0.0000 ( 4988 PWs) bands (ev): -7.9721 -7.9721 -6.8086 -6.8086 -6.7061 -6.7061 -6.6998 -6.6998 -2.0919 -2.0919 -1.9750 -1.9750 -0.8416 -0.8416 -0.4543 -0.4542 -0.3983 -0.3983 -0.0891 -0.0891 0.3109 0.3109 1.7522 1.7522 1.8808 1.8808 1.8955 1.8955 2.0410 2.0411 3.0150 3.0150 3.3713 3.3713 3.4639 3.4639 4.1821 4.1821 4.4334 4.4334 4.4720 4.4720 7.4469 7.4469 8.4388 8.4388 8.7880 8.7880 9.4166 9.4166 k = 0.2258 0.1708 0.0000 ( 4964 PWs) bands (ev): -7.9519 -7.9519 -6.8364 -6.8364 -6.7068 -6.7068 -6.7003 -6.7003 -2.0980 -2.0980 -1.9767 -1.9767 -0.8433 -0.8433 -0.4664 -0.4664 -0.4015 -0.4015 -0.1013 -0.1013 0.3342 0.3342 1.7352 1.7352 1.9051 1.9051 1.9194 1.9194 2.0872 2.0872 3.0460 3.0460 3.3966 3.3966 3.4877 3.4877 4.1358 4.1358 4.4000 4.4000 4.4403 4.4403 7.5002 7.5002 8.4713 8.4713 8.8169 8.8169 9.3120 9.3121 k = 0.2419 0.1830 0.0000 ( 4968 PWs) bands (ev): -7.9304 -7.9304 -6.8656 -6.8656 -6.7074 -6.7074 -6.7008 -6.7008 -2.1038 -2.1038 -1.9787 -1.9787 -0.8446 -0.8446 -0.4810 -0.4810 -0.4054 -0.4054 -0.1110 -0.1110 0.3598 0.3598 1.7178 1.7178 1.9303 1.9303 1.9441 1.9442 2.1324 2.1324 3.0770 3.0770 3.4223 3.4223 3.5116 3.5116 4.0915 4.0915 4.3660 4.3660 4.4085 4.4085 7.5503 7.5503 8.5046 8.5046 8.8456 8.8456 9.2101 9.2101 k = 0.2581 0.1952 0.0000 ( 4944 PWs) bands (ev): -7.9076 -7.9076 -6.8961 -6.8961 -6.7081 -6.7081 -6.7014 -6.7014 -2.1091 -2.1091 -1.9810 -1.9810 -0.8455 -0.8455 -0.4976 -0.4976 -0.4102 -0.4102 -0.1182 -0.1182 0.3874 0.3874 1.7001 1.7001 1.9563 1.9563 1.9697 1.9697 2.1758 2.1758 3.1077 3.1077 3.4482 3.4482 3.5351 3.5351 4.0497 4.0497 4.3319 4.3319 4.3769 4.3769 7.5962 7.5962 8.5393 8.5393 8.8725 8.8725 9.1122 9.1122 k = 0.2742 0.2074 0.0000 ( 4944 PWs) bands (ev): -7.8836 -7.8836 -6.9278 -6.9278 -6.7087 -6.7087 -6.7019 -6.7019 -2.1141 -2.1141 -1.9836 -1.9836 -0.8460 -0.8460 -0.5158 -0.5158 -0.4157 -0.4157 -0.1233 -0.1233 0.4167 0.4167 1.6821 1.6821 1.9828 1.9828 1.9958 1.9958 2.2170 2.2170 3.1379 3.1379 3.4739 3.4739 3.5577 3.5577 4.0109 4.0109 4.2980 4.2980 4.3460 4.3460 7.6366 7.6366 8.5756 8.5756 8.8940 8.8940 9.0218 9.0218 k = 0.2903 0.2196 0.0000 ( 4940 PWs) bands (ev): -7.8583 -7.8583 -6.9606 -6.9606 -6.7093 -6.7093 -6.7024 -6.7024 -2.1186 -2.1186 -1.9864 -1.9864 -0.8459 -0.8459 -0.5351 -0.5351 -0.4216 -0.4216 -0.1267 -0.1267 0.4475 0.4475 1.6640 1.6640 2.0096 2.0096 2.0221 2.0221 2.2555 2.2555 3.1673 3.1673 3.4989 3.4989 3.5789 3.5789 3.9756 3.9756 4.2648 4.2648 4.3164 4.3164 7.6707 7.6707 8.6135 8.6135 8.8900 8.8900 8.9585 8.9585 k = 0.3065 0.2318 0.0000 ( 4956 PWs) bands (ev): -7.8318 -7.8318 -6.9944 -6.9944 -6.7100 -6.7100 -6.7029 -6.7029 -2.1228 -2.1228 -1.9892 -1.9892 -0.8453 -0.8453 -0.5553 -0.5553 -0.4277 -0.4277 -0.1287 -0.1287 0.4793 0.4793 1.6458 1.6458 2.0365 2.0365 2.0485 2.0485 2.2907 2.2907 3.1957 3.1957 3.5229 3.5229 3.5983 3.5983 3.9441 3.9441 4.2329 4.2329 4.2886 4.2886 7.6980 7.6980 8.6495 8.6495 8.8323 8.8323 8.8851 8.8851 k = 0.3226 0.2440 0.0000 ( 4952 PWs) bands (ev): -7.8042 -7.8042 -7.0290 -7.0290 -6.7106 -6.7106 -6.7034 -6.7034 -2.1265 -2.1265 -1.9922 -1.9921 -0.8441 -0.8441 -0.5758 -0.5758 -0.4338 -0.4338 -0.1297 -0.1297 0.5118 0.5118 1.6276 1.6276 2.0632 2.0632 2.0747 2.0747 2.3225 2.3225 3.2228 3.2228 3.5454 3.5454 3.6153 3.6153 3.9167 3.9167 4.2026 4.2026 4.2631 4.2631 7.7183 7.7183 8.6651 8.6651 8.7845 8.7845 8.8031 8.8031 k = 0.3387 0.2562 0.0000 ( 4960 PWs) bands (ev): -7.7755 -7.7755 -7.0643 -7.0643 -6.7111 -6.7111 -6.7039 -6.7039 -2.1298 -2.1298 -1.9951 -1.9951 -0.8423 -0.8423 -0.5965 -0.5965 -0.4397 -0.4397 -0.1300 -0.1300 0.5445 0.5445 1.6095 1.6095 2.0895 2.0895 2.1003 2.1003 2.3506 2.3506 3.2483 3.2483 3.5659 3.5659 3.6297 3.6297 3.8933 3.8933 4.1746 4.1746 4.2406 4.2406 7.7317 7.7317 8.6277 8.6277 8.7196 8.7196 8.8035 8.8035 k = 0.3548 0.2684 0.0000 ( 4980 PWs) bands (ev): -7.7458 -7.7458 -7.1002 -7.1002 -6.7117 -6.7117 -6.7043 -6.7043 -2.1328 -2.1328 -1.9979 -1.9979 -0.8398 -0.8398 -0.6169 -0.6169 -0.4453 -0.4453 -0.1299 -0.1299 0.5768 0.5768 1.5916 1.5916 2.1149 2.1149 2.1251 2.1251 2.3749 2.3749 3.2722 3.2722 3.5839 3.5840 3.6409 3.6409 3.8739 3.8739 4.1492 4.1492 4.2212 4.2212 7.7390 7.7390 8.5668 8.5668 8.6460 8.6460 8.8509 8.8509 k = 0.3710 0.2806 0.0000 ( 4980 PWs) bands (ev): -7.7151 -7.7151 -7.1366 -7.1366 -6.7121 -6.7121 -6.7048 -6.7048 -2.1353 -2.1353 -2.0007 -2.0007 -0.8365 -0.8365 -0.6369 -0.6369 -0.4505 -0.4505 -0.1294 -0.1294 0.6084 0.6084 1.5741 1.5741 2.1392 2.1392 2.1486 2.1486 2.3954 2.3954 3.2941 3.2941 3.5993 3.5993 3.6490 3.6490 3.8584 3.8584 4.1271 4.1271 4.2054 4.2054 7.7412 7.7412 8.5053 8.5053 8.5783 8.5783 8.9085 8.9085 k = 0.3871 0.2928 0.0000 ( 4984 PWs) bands (ev): -7.6836 -7.6836 -7.1733 -7.1733 -6.7126 -6.7126 -6.7051 -6.7051 -2.1375 -2.1375 -2.0032 -2.0032 -0.8325 -0.8325 -0.6561 -0.6561 -0.4552 -0.4552 -0.1289 -0.1289 0.6386 0.6386 1.5573 1.5573 2.1620 2.1621 2.1705 2.1705 2.4123 2.4123 3.3139 3.3139 3.6117 3.6117 3.6541 3.6541 3.8463 3.8463 4.1084 4.1084 4.1930 4.1930 7.7394 7.7394 8.4483 8.4483 8.5170 8.5170 8.9653 8.9653 k = 0.4032 0.3050 0.0000 ( 4964 PWs) bands (ev): -7.6512 -7.6512 -7.2103 -7.2103 -6.7130 -6.7130 -6.7055 -6.7055 -2.1394 -2.1394 -2.0056 -2.0056 -0.8277 -0.8277 -0.6745 -0.6745 -0.4594 -0.4594 -0.1282 -0.1282 0.6668 0.6668 1.5414 1.5414 2.1830 2.1830 2.1905 2.1905 2.4259 2.4259 3.3314 3.3314 3.6212 3.6212 3.6564 3.6564 3.8372 3.8372 4.0933 4.0933 4.1839 4.1839 7.7348 7.7348 8.3975 8.3975 8.4627 8.4627 8.9769 8.9769 k = 0.4194 0.3172 0.0000 ( 4956 PWs) bands (ev): -7.6182 -7.6182 -7.2472 -7.2472 -6.7133 -6.7133 -6.7057 -6.7057 -2.1409 -2.1409 -2.0076 -2.0076 -0.8222 -0.8222 -0.6917 -0.6917 -0.4630 -0.4630 -0.1276 -0.1276 0.6923 0.6923 1.5268 1.5268 2.2016 2.2016 2.2081 2.2081 2.4365 2.4365 3.3465 3.3465 3.6279 3.6279 3.6566 3.6566 3.8306 3.8306 4.0817 4.0817 4.1776 4.1776 7.7287 7.7287 8.3536 8.3536 8.4159 8.4159 8.9741 8.9741 k = 0.4355 0.3294 0.0000 ( 4956 PWs) bands (ev): -7.5847 -7.5847 -7.2840 -7.2840 -6.7136 -6.7136 -6.7060 -6.7060 -2.1421 -2.1421 -2.0094 -2.0094 -0.8161 -0.8161 -0.7076 -0.7076 -0.4660 -0.4660 -0.1270 -0.1270 0.7145 0.7145 1.5139 1.5139 2.2176 2.2176 2.2230 2.2230 2.4445 2.4445 3.3591 3.3591 3.6323 3.6323 3.6553 3.6553 3.8260 3.8260 4.0733 4.0733 4.1736 4.1736 7.7221 7.7221 8.3172 8.3172 8.3770 8.3770 8.9701 8.9701 k = 0.4516 0.3416 0.0000 ( 4956 PWs) bands (ev): -7.5510 -7.5510 -7.3203 -7.3203 -6.7138 -6.7138 -6.7062 -6.7062 -2.1431 -2.1431 -2.0108 -2.0108 -0.8095 -0.8095 -0.7220 -0.7220 -0.4683 -0.4683 -0.1266 -0.1266 0.7327 0.7327 1.5032 1.5032 2.2305 2.2305 2.2349 2.2349 2.4502 2.4502 3.3690 3.3690 3.6349 3.6349 3.6533 3.6533 3.8230 3.8230 4.0675 4.0675 4.1712 4.1712 7.7160 7.7160 8.2886 8.2886 8.3463 8.3463 8.9662 8.9662 k = 0.4677 0.3538 0.0000 ( 4964 PWs) bands (ev): -7.5178 -7.5178 -7.3554 -7.3554 -6.7140 -6.7140 -6.7063 -6.7063 -2.1437 -2.1437 -2.0118 -2.0118 -0.8029 -0.8029 -0.7341 -0.7341 -0.4700 -0.4700 -0.1262 -0.1262 0.7462 0.7462 1.4951 1.4951 2.2401 2.2401 2.2435 2.2435 2.4541 2.4541 3.3762 3.3762 3.6362 3.6362 3.6512 3.6512 3.8212 3.8212 4.0638 4.0638 4.1700 4.1700 7.7110 7.7110 8.2681 8.2681 8.3241 8.3241 8.9630 8.9630 k = 0.4839 0.3660 0.0000 ( 4960 PWs) bands (ev): -7.4877 -7.4877 -7.3866 -7.3866 -6.7141 -6.7141 -6.7064 -6.7064 -2.1441 -2.1441 -2.0124 -2.0124 -0.7975 -0.7975 -0.7429 -0.7429 -0.4711 -0.4711 -0.1260 -0.1260 0.7546 0.7546 1.4901 1.4901 2.2461 2.2461 2.2487 2.2487 2.4562 2.4562 3.3805 3.3805 3.6369 3.6369 3.6497 3.6497 3.8203 3.8203 4.0619 4.0619 4.1695 4.1695 7.7079 7.7079 8.2557 8.2557 8.3107 8.3107 8.9610 8.9610 k = 0.5000 0.3782 0.0000 ( 4968 PWs) bands (ev): -7.4719 -7.4719 -7.4027 -7.4027 -6.7141 -6.7141 -6.7064 -6.7064 -2.1442 -2.1442 -2.0126 -2.0126 -0.7952 -0.7952 -0.7462 -0.7462 -0.4714 -0.4714 -0.1260 -0.1260 0.7574 0.7574 1.4884 1.4884 2.2482 2.2482 2.2503 2.2503 2.4569 2.4569 3.3820 3.3820 3.6370 3.6370 3.6491 3.6491 3.8200 3.8200 4.0613 4.0613 4.1693 4.1693 7.7068 7.7068 8.2515 8.2515 8.3062 8.3062 8.9602 8.9602 k = 0.5000 0.3782 0.0000 ( 4968 PWs) bands (ev): -7.4719 -7.4719 -7.4027 -7.4027 -6.7141 -6.7141 -6.7064 -6.7064 -2.1442 -2.1442 -2.0126 -2.0126 -0.7952 -0.7952 -0.7462 -0.7462 -0.4714 -0.4714 -0.1260 -0.1260 0.7574 0.7574 1.4884 1.4884 2.2482 2.2482 2.2503 2.2503 2.4569 2.4569 3.3820 3.3820 3.6370 3.6370 3.6491 3.6491 3.8200 3.8200 4.0613 4.0613 4.1693 4.1693 7.7068 7.7068 8.2515 8.2515 8.3062 8.3062 8.9602 8.9602 k = 0.4915 0.3895 0.0141 ( 4956 PWs) bands (ev): -7.4717 -7.4713 -7.4025 -7.4023 -6.7148 -6.7145 -6.7069 -6.7068 -2.1458 -2.1424 -2.0189 -2.0070 -0.8037 -0.7894 -0.7611 -0.7269 -0.4759 -0.4654 -0.1343 -0.1165 0.7547 0.7600 1.4796 1.4907 2.2476 2.2485 2.2499 2.2533 2.4558 2.4576 3.3800 3.3811 3.6248 3.6416 3.6448 3.6482 3.8161 3.8265 4.0558 4.0708 4.1698 4.1713 7.7097 7.7101 8.2493 8.2564 8.3076 8.3079 8.9605 8.9670 k = 0.4830 0.4007 0.0282 ( 4964 PWs) bands (ev): -7.4705 -7.4698 -7.4015 -7.4011 -6.7169 -6.7164 -6.7079 -6.7076 -2.1471 -2.1403 -2.0257 -2.0020 -0.8148 -0.7885 -0.7668 -0.7057 -0.4785 -0.4580 -0.1415 -0.1058 0.7518 0.7624 1.4646 1.4865 2.2462 2.2467 2.2530 2.2595 2.4542 2.4578 3.3751 3.3772 3.6038 3.6311 3.6404 3.6464 3.8164 3.8345 4.0549 4.0805 4.1727 4.1782 7.7190 7.7197 8.2499 8.2638 8.3124 8.3128 8.9679 8.9803 k = 0.4745 0.4119 0.0423 ( 4960 PWs) bands (ev): -7.4684 -7.4674 -7.3997 -7.3991 -6.7214 -6.7205 -6.7085 -6.7080 -2.1481 -2.1380 -2.0330 -1.9976 -0.8282 -0.7922 -0.7629 -0.6841 -0.4789 -0.4493 -0.1477 -0.0938 0.7488 0.7645 1.4442 1.4760 2.2427 2.2444 2.2591 2.2684 2.4524 2.4576 3.3672 3.3701 3.5758 3.6078 3.6343 3.6452 3.8217 3.8437 4.0557 4.0854 4.1791 4.1929 7.7343 7.7354 8.2536 8.2735 8.3201 8.3218 8.9822 8.9998 k = 0.4660 0.4232 0.0563 ( 4962 PWs) bands (ev): -7.4654 -7.4641 -7.3972 -7.3964 -6.7282 -6.7272 -6.7086 -6.7078 -2.1487 -2.1355 -2.0407 -1.9939 -0.8425 -0.7958 -0.7554 -0.6631 -0.4767 -0.4393 -0.1528 -0.0805 0.7458 0.7662 1.4190 1.4597 2.2379 2.2408 2.2673 2.2793 2.4508 2.4573 3.3555 3.3593 3.5438 3.5771 3.6266 3.6420 3.8308 3.8544 4.0547 4.0836 4.1909 4.2157 7.7555 7.7570 8.2605 8.2850 8.3311 8.3353 9.0032 9.0248 k = 0.4575 0.4344 0.0704 ( 4970 PWs) bands (ev): -7.4616 -7.4600 -7.3941 -7.3931 -6.7372 -6.7360 -6.7082 -6.7072 -2.1491 -2.1329 -2.0486 -1.9909 -0.8564 -0.7981 -0.7466 -0.6440 -0.4716 -0.4277 -0.1567 -0.0657 0.7427 0.7675 1.3901 1.4383 2.2317 2.2360 2.2766 2.2913 2.4496 2.4573 3.3390 3.3441 3.5108 3.5433 3.6168 3.6362 3.8425 3.8663 4.0499 4.0770 4.2083 4.2440 7.7822 7.7840 8.2705 8.2985 8.3458 8.3536 9.0304 9.0546 k = 0.4490 0.4456 0.0845 ( 4970 PWs) bands (ev): -7.4570 -7.4550 -7.3902 -7.3890 -6.7482 -6.7469 -6.7076 -6.7064 -2.1491 -2.1300 -2.0567 -1.9884 -0.8691 -0.7991 -0.7370 -0.6276 -0.4637 -0.4143 -0.1593 -0.0496 0.7396 0.7683 1.3581 1.4126 2.2241 2.2300 2.2860 2.3034 2.4494 2.4583 3.3160 3.3234 3.4797 3.5102 3.6047 3.6275 3.8552 3.8785 4.0423 4.0685 4.2304 4.2748 7.8140 7.8162 8.2838 8.3137 8.3649 8.3770 9.0632 9.0886 k = 0.4405 0.4569 0.0986 ( 4974 PWs) bands (ev): -7.4515 -7.4492 -7.3857 -7.3843 -6.7611 -6.7595 -6.7067 -6.7053 -2.1489 -2.1270 -2.0650 -1.9865 -0.8806 -0.7990 -0.7268 -0.6145 -0.4537 -0.3986 -0.1602 -0.0319 0.7364 0.7684 1.3242 1.3834 2.2150 2.2227 2.2941 2.3149 2.4505 2.4610 3.2856 3.2958 3.4533 3.4810 3.5898 3.6155 3.8667 3.8885 4.0347 4.0609 4.2556 4.3066 7.8505 7.8530 8.3002 8.3307 8.3889 8.4053 9.1010 9.1262 k = 0.4320 0.4681 0.1127 ( 4976 PWs) bands (ev): -7.4453 -7.4426 -7.3806 -7.3790 -6.7756 -6.7739 -6.7057 -6.7041 -2.1483 -2.1240 -2.0732 -1.9852 -0.8905 -0.7980 -0.7163 -0.6045 -0.4428 -0.3806 -0.1590 -0.0129 0.7330 0.7677 1.2890 1.3517 2.2045 2.2141 2.3001 2.3247 2.4533 2.4662 3.2480 3.2611 3.4328 3.4575 3.5721 3.6000 3.8743 3.8931 4.0311 4.0577 4.2824 4.3383 7.8910 7.8939 8.3194 8.3498 8.4183 8.4386 9.1433 9.1671 k = 0.4235 0.4793 0.1268 ( 4976 PWs) bands (ev): -7.4384 -7.4354 -7.3748 -7.3731 -6.7916 -6.7897 -6.7045 -6.7027 -2.1474 -2.1208 -2.0813 -1.9842 -0.8991 -0.7960 -0.7054 -0.5970 -0.4321 -0.3611 -0.1549 0.0074 0.7296 0.7658 1.2535 1.3182 2.1925 2.2044 2.3032 2.3319 2.4580 2.4740 3.2049 3.2203 3.4177 3.4394 3.5516 3.5810 3.8750 3.8889 4.0351 4.0619 4.3099 4.3692 7.9352 7.9384 8.3416 8.3711 8.4533 8.4768 9.1897 9.2109 k = 0.4150 0.4906 0.1409 ( 4974 PWs) bands (ev): -7.4309 -7.4276 -7.3685 -7.3667 -6.8090 -6.8069 -6.7032 -6.7012 -2.1462 -2.1176 -2.0891 -1.9836 -0.9061 -0.7932 -0.6944 -0.5913 -0.4221 -0.3416 -0.1468 0.0288 0.7258 0.7627 1.2185 1.2838 2.1792 2.1935 2.3033 2.3362 2.4646 2.4843 3.1582 3.1758 3.4071 3.4257 3.5285 3.5585 3.8670 3.8760 4.0477 4.0748 4.3374 4.3990 7.9823 7.9859 8.3664 8.3947 8.4939 8.5196 9.2397 9.2573 k = 0.4065 0.5018 0.1550 ( 4967 PWs) bands (ev): -7.4230 -7.4192 -7.3617 -7.3597 -6.8275 -6.8252 -6.7017 -6.6995 -2.1449 -2.1143 -2.0965 -1.9833 -0.9118 -0.7897 -0.6834 -0.5866 -0.4130 -0.3242 -0.1338 0.0511 0.7216 0.7580 1.1849 1.2492 2.1649 2.1817 2.3007 2.3373 2.4727 2.4961 3.1099 3.1295 3.3998 3.4151 3.5035 3.5329 3.8511 3.8567 4.0670 4.0949 4.3645 4.4275 8.0318 8.0357 8.3939 8.4209 8.5400 8.5669 9.2930 9.3062 k = 0.3980 0.5130 0.1690 ( 4955 PWs) bands (ev): -7.4147 -7.4106 -7.3544 -7.3522 -6.8468 -6.8444 -6.7000 -6.6977 -2.1434 -2.1113 -2.1030 -1.9832 -0.9162 -0.7855 -0.6724 -0.5824 -0.4049 -0.3106 -0.1152 0.0740 0.7169 0.7513 1.1535 1.2155 2.1496 2.1691 2.2955 2.3355 2.4814 2.5085 3.0614 3.0832 3.3943 3.4066 3.4780 3.5045 3.8292 3.8334 4.0909 4.1198 4.3908 4.4545 8.0831 8.0874 8.4241 8.4497 8.5910 8.6183 9.3492 9.3575 k = 0.3895 0.5243 0.1831 ( 4943 PWs) bands (ev): -7.4063 -7.4018 -7.3466 -7.3442 -6.8668 -6.8642 -6.6983 -6.6957 -2.1420 -2.1114 -2.1058 -1.9832 -0.9193 -0.7807 -0.6616 -0.5784 -0.3977 -0.3014 -0.0912 0.0971 0.7112 0.7423 1.1251 1.1833 2.1335 2.1558 2.2882 2.3313 2.4899 2.5206 3.0142 3.0382 3.3871 3.4005 3.4548 3.4741 3.8032 3.8076 4.1176 4.1474 4.4161 4.4798 8.1356 8.1402 8.4570 8.4812 8.6466 8.6734 9.4080 9.4110 k = 0.3810 0.5355 0.1972 ( 4945 PWs) bands (ev): -7.3982 -7.3932 -7.3382 -7.3356 -6.8870 -6.8843 -6.6964 -6.6937 -2.1409 -2.1157 -2.1031 -1.9833 -0.9213 -0.7754 -0.6512 -0.5742 -0.3912 -0.2964 -0.0631 0.1201 0.7043 0.7308 1.1003 1.1539 2.1170 2.1419 2.2788 2.3251 2.4969 2.5312 2.9693 2.9957 3.3719 3.3986 3.4384 3.4426 3.7752 3.7798 4.1457 4.1764 4.4402 4.5033 8.1887 8.1936 8.4926 8.5156 8.7060 8.7316 9.4663 9.4690 k = 0.3725 0.5468 0.2113 ( 4949 PWs) bands (ev): -7.3906 -7.3853 -7.3291 -7.3263 -6.9072 -6.9044 -6.6944 -6.6915 -2.1407 -2.1191 -2.0996 -1.9834 -0.9220 -0.7697 -0.6414 -0.5695 -0.3855 -0.2946 -0.0324 0.1424 0.6958 0.7167 1.0795 1.1284 2.1000 2.1277 2.2675 2.3170 2.5015 2.5394 2.9278 2.9566 3.3481 3.3983 3.4116 3.4312 3.7461 3.7508 4.1743 4.2055 4.4628 4.5251 8.2418 8.2469 8.5309 8.5528 8.7683 8.7923 9.5232 9.5318 k = 0.3640 0.5580 0.2254 ( 4939 PWs) bands (ev): -7.3842 -7.3786 -7.3193 -7.3162 -6.9268 -6.9240 -6.6923 -6.6893 -2.1418 -2.1206 -2.0959 -1.9835 -0.9218 -0.7636 -0.6324 -0.5640 -0.3806 -0.2953 -0.0008 0.1635 0.6854 0.7001 1.0627 1.1078 2.0827 2.1132 2.2545 2.3073 2.5029 2.5446 2.8904 2.9219 3.3195 3.3764 3.4040 3.4302 3.7170 3.7216 4.2026 4.2342 4.4838 4.5448 8.2942 8.2995 8.5722 8.5929 8.8328 8.8548 9.5812 9.5957 k = 0.3555 0.5692 0.2395 ( 4939 PWs) bands (ev): -7.3795 -7.3737 -7.3084 -7.3051 -6.9454 -6.9425 -6.6901 -6.6870 -2.1441 -2.1201 -2.0919 -1.9835 -0.9205 -0.7573 -0.6243 -0.5578 -0.3763 -0.2980 0.0305 0.1830 0.6728 0.6816 1.0499 1.0932 2.0652 2.0985 2.2397 2.2960 2.5005 2.5463 2.8574 2.8921 3.2895 3.3459 3.4064 3.4333 3.6886 3.6935 4.2298 4.2615 4.5032 4.5626 8.3453 8.3508 8.6163 8.6360 8.8983 8.9181 9.6395 9.6600 k = 0.3470 0.5805 0.2536 ( 4935 PWs) bands (ev): -7.3770 -7.3711 -7.2965 -7.2929 -6.9624 -6.9596 -6.6878 -6.6846 -2.1470 -2.1183 -2.0878 -1.9835 -0.9183 -0.7509 -0.6172 -0.5505 -0.3729 -0.3021 0.0602 0.2002 0.6576 0.6623 1.0408 1.0850 2.0474 2.0836 2.2234 2.2831 2.4943 2.5446 2.8286 2.8671 3.2598 3.3171 3.4084 3.4386 3.6616 3.6685 4.2556 4.2870 4.5206 4.5782 8.3945 8.4002 8.6635 8.6820 8.9638 8.9813 9.6970 9.7234 k = 0.3385 0.5917 0.2677 ( 4937 PWs) bands (ev): -7.3773 -7.3716 -7.2834 -7.2796 -6.9773 -6.9747 -6.6854 -6.6821 -2.1498 -2.1159 -2.0835 -1.9835 -0.9151 -0.7444 -0.6110 -0.5425 -0.3703 -0.3073 0.0872 0.2146 0.6390 0.6440 1.0359 1.0828 2.0293 2.0683 2.2057 2.2686 2.4849 2.5403 2.8034 2.8465 3.2313 3.2909 3.4086 3.4444 3.6378 3.6484 4.2791 4.3100 4.5362 4.5917 8.4413 8.4470 8.7137 8.7310 9.0279 9.0433 9.7517 9.7825 k = 0.3300 0.6029 0.2817 ( 4937 PWs) bands (ev): -7.3809 -7.3754 -7.2693 -7.2653 -6.9895 -6.9871 -6.6830 -6.6796 -2.1524 -2.1131 -2.0789 -1.9834 -0.9111 -0.7379 -0.6057 -0.5337 -0.3688 -0.3132 0.1107 0.2257 0.6188 0.6264 1.0355 1.0858 2.0109 2.0524 2.1872 2.2524 2.4734 2.5343 2.7806 2.8290 3.2046 3.2679 3.4061 3.4485 3.6198 3.6349 4.3001 4.3301 4.5496 4.6030 8.4852 8.4908 8.7668 8.7829 9.0895 9.1031 9.7998 9.8296 k = 0.3215 0.6142 0.2958 ( 4933 PWs) bands (ev): -7.3880 -7.3828 -7.2541 -7.2500 -6.9987 -6.9966 -6.6805 -6.6770 -2.1544 -2.1101 -2.0739 -1.9832 -0.9062 -0.7317 -0.6010 -0.5245 -0.3684 -0.3193 0.1299 0.2329 0.5990 0.6088 1.0396 1.0930 1.9918 2.0359 2.1684 2.2345 2.4613 2.5278 2.7593 2.8134 3.1796 3.2479 3.4004 3.4487 3.6105 3.6295 4.3180 4.3467 4.5610 4.6120 8.5256 8.5312 8.8228 8.8375 9.1473 9.1597 9.8372 9.8576 k = 0.3215 0.6142 0.2958 ( 4933 PWs) bands (ev): -7.3880 -7.3828 -7.2541 -7.2500 -6.9987 -6.9966 -6.6805 -6.6770 -2.1544 -2.1101 -2.0739 -1.9832 -0.9062 -0.7317 -0.6010 -0.5245 -0.3684 -0.3193 0.1299 0.2329 0.5990 0.6088 1.0396 1.0930 1.9918 2.0359 2.1684 2.2345 2.4613 2.5278 2.7593 2.8134 3.1796 3.2479 3.4004 3.4487 3.6105 3.6295 4.3180 4.3467 4.5610 4.6120 8.5256 8.5312 8.8228 8.8375 9.1473 9.1597 9.8372 9.8576 k = 0.3037 0.6089 0.3024 ( 4934 PWs) bands (ev): -7.3947 -7.3898 -7.2452 -7.2410 -7.0009 -6.9990 -6.6795 -6.6760 -2.1550 -2.1088 -2.0713 -1.9831 -0.9035 -0.7288 -0.5991 -0.5198 -0.3687 -0.3222 0.1368 0.2342 0.5895 0.6003 1.0448 1.0991 1.9796 2.0255 2.1588 2.2244 2.4574 2.5252 2.7510 2.8070 3.1677 3.2365 3.3997 3.4489 3.6107 3.6305 4.3226 4.3507 4.5671 4.6162 8.5433 8.5488 8.8522 8.8663 9.1732 9.1851 9.8347 9.8562 k = 0.2858 0.6037 0.3090 ( 4942 PWs) bands (ev): -7.4050 -7.4004 -7.2350 -7.2308 -7.0000 -6.9982 -6.6788 -6.6753 -2.1553 -2.1077 -2.0681 -1.9828 -0.9003 -0.7260 -0.5978 -0.5144 -0.3693 -0.3251 0.1413 0.2328 0.5804 0.5917 1.0537 1.1082 1.9613 2.0105 2.1473 2.2117 2.4571 2.5237 2.7453 2.8013 3.1562 3.2217 3.4036 3.4520 3.6137 3.6338 4.3216 4.3495 4.5750 4.6210 8.5606 8.5660 8.8868 8.9003 9.1986 9.2102 9.8169 9.8420 k = 0.2679 0.5984 0.3156 ( 4948 PWs) bands (ev): -7.4170 -7.4128 -7.2258 -7.2216 -6.9956 -6.9939 -6.6786 -6.6751 -2.1552 -2.1070 -2.0643 -1.9825 -0.8966 -0.7234 -0.5967 -0.5086 -0.3702 -0.3278 0.1429 0.2284 0.5732 0.5846 1.0656 1.1196 1.9381 1.9914 2.1334 2.1962 2.4600 2.5230 2.7417 2.7955 3.1473 3.2070 3.4108 3.4576 3.6184 3.6387 4.3158 4.3436 4.5834 4.6255 8.5777 8.5831 8.9263 8.9392 9.2234 9.2348 9.7971 9.8248 k = 0.2501 0.5931 0.3222 ( 4954 PWs) bands (ev): -7.4295 -7.4257 -7.2187 -7.2146 -6.9878 -6.9862 -6.6788 -6.6753 -2.1547 -2.1066 -2.0600 -1.9820 -0.8922 -0.7210 -0.5959 -0.5027 -0.3716 -0.3303 0.1414 0.2206 0.5688 0.5800 1.0796 1.1326 1.9111 1.9692 2.1164 2.1778 2.4654 2.5226 2.7400 2.7895 3.1423 3.1949 3.4198 3.4650 3.6243 3.6448 4.3062 4.3341 4.5909 4.6290 8.5948 8.6000 8.9704 8.9826 9.2475 9.2590 9.7788 9.8083 k = 0.2322 0.5879 0.3288 ( 4954 PWs) bands (ev): -7.4421 -7.4386 -7.2141 -7.2101 -6.9766 -6.9751 -6.6796 -6.6761 -2.1538 -2.1066 -2.0552 -1.9815 -0.8874 -0.7190 -0.5951 -0.4969 -0.3732 -0.3326 0.1366 0.2096 0.5679 0.5786 1.0951 1.1465 1.8816 1.9451 2.0958 2.1566 2.4721 2.5222 2.7401 2.7837 3.1418 3.1868 3.4296 3.4732 3.6314 3.6523 4.2934 4.3215 4.5965 4.6309 8.6120 8.6170 9.0187 9.0301 9.2710 9.2828 9.7630 9.7941 k = 0.2144 0.5826 0.3354 ( 4954 PWs) bands (ev): -7.4543 -7.4511 -7.2119 -7.2080 -6.9628 -6.9613 -6.6809 -6.6774 -2.1526 -2.1068 -2.0501 -1.9810 -0.8819 -0.7175 -0.5942 -0.4917 -0.3749 -0.3347 0.1289 0.1957 0.5707 0.5807 1.1115 1.1609 1.8505 1.9201 2.0717 2.1328 2.4792 2.5216 2.7423 2.7787 3.1455 3.1832 3.4395 3.4813 3.6398 3.6614 4.2782 4.3065 4.5996 4.6308 8.6293 8.6340 9.0705 9.0810 9.2937 9.3063 9.7506 9.7830 k = 0.1965 0.5774 0.3419 ( 4963 PWs) bands (ev): -7.4660 -7.4630 -7.2115 -7.2079 -6.9469 -6.9454 -6.6828 -6.6794 -2.1512 -2.1074 -2.0448 -1.9806 -0.8758 -0.7167 -0.5929 -0.4873 -0.3767 -0.3367 0.1188 0.1797 0.5767 0.5861 1.1286 1.1754 1.8189 1.8950 2.0442 2.1067 2.4854 2.5204 2.7465 2.7757 3.1523 3.1837 3.4492 3.4890 3.6498 3.6724 4.2612 4.2894 4.5999 4.6284 8.6465 8.6509 9.1249 9.1348 9.3157 9.3297 9.7418 9.7755 k = 0.1786 0.5721 0.3485 ( 4960 PWs) bands (ev): -7.4768 -7.4742 -7.2126 -7.2092 -6.9297 -6.9281 -6.6854 -6.6820 -2.1495 -2.1082 -2.0392 -1.9802 -0.8692 -0.7167 -0.5912 -0.4841 -0.3781 -0.3385 0.1070 0.1624 0.5856 0.5942 1.1458 1.1897 1.7875 1.8705 2.0140 2.0789 2.4899 2.5188 2.7527 2.7757 3.1610 3.1875 3.4586 3.4960 3.6615 3.6853 4.2428 4.2708 4.5972 4.6238 8.6635 8.6676 9.1804 9.1904 9.3372 9.3535 9.7372 9.7720 k = 0.1608 0.5669 0.3551 ( 4962 PWs) bands (ev): -7.4869 -7.4845 -7.2145 -7.2115 -6.9117 -6.9101 -6.6887 -6.6853 -2.1476 -2.1092 -2.0336 -1.9800 -0.8619 -0.7178 -0.5889 -0.4823 -0.3791 -0.3402 0.0943 0.1444 0.5966 0.6045 1.1630 1.2037 1.7569 1.8467 1.9821 2.0502 2.4923 2.5166 2.7605 2.7792 3.1703 3.1933 3.4681 3.5026 3.6748 3.6999 4.2235 4.2510 4.5919 4.6170 8.6802 8.6839 9.2345 9.2464 9.3588 9.3787 9.7369 9.7728 k = 0.1429 0.5616 0.3617 ( 4960 PWs) bands (ev): -7.4960 -7.4938 -7.2170 -7.2142 -6.8934 -6.8918 -6.6928 -6.6895 -2.1455 -2.1105 -2.0280 -1.9800 -0.8541 -0.7200 -0.5857 -0.4823 -0.3793 -0.3419 0.0815 0.1264 0.6091 0.6161 1.1799 1.2170 1.7277 1.8238 1.9500 2.0214 2.4926 2.5139 2.7698 2.7863 3.1790 3.1996 3.4780 3.5094 3.6895 3.7158 4.2037 4.2304 4.5843 4.6081 8.6963 8.6995 9.2836 9.2991 9.3831 9.4074 9.7414 9.7782 k = 0.1250 0.5564 0.3683 ( 4962 PWs) bands (ev): -7.5041 -7.5022 -7.2196 -7.2172 -6.8753 -6.8735 -6.6976 -6.6944 -2.1432 -2.1119 -2.0225 -1.9802 -0.8457 -0.7234 -0.5817 -0.4841 -0.3787 -0.3436 0.0693 0.1091 0.6223 0.6285 1.1963 1.2297 1.7007 1.8009 1.9197 1.9931 2.4914 2.5104 2.7804 2.7963 3.1861 3.2051 3.4890 3.5169 3.7052 3.7321 4.1841 4.2095 4.5750 4.5977 8.7115 8.7143 9.3236 9.3410 9.4154 9.4419 9.7510 9.7884 k = 0.1072 0.5511 0.3749 ( 4965 PWs) bands (ev): -7.5111 -7.5095 -7.2223 -7.2202 -6.8576 -6.8557 -6.7032 -6.7001 -2.1409 -2.1135 -2.0171 -1.9807 -0.8367 -0.7280 -0.5768 -0.4876 -0.3773 -0.3455 0.0582 0.0929 0.6355 0.6409 1.2119 1.2417 1.6764 1.7773 1.8931 1.9662 2.4892 2.5063 2.7923 2.8077 3.1914 3.2088 3.5010 3.5254 3.7212 3.7481 4.1651 4.1887 4.5649 4.5860 8.7256 8.7279 9.3527 9.3675 9.4579 9.4821 9.7664 9.8036 k = 0.0893 0.5459 0.3815 ( 4966 PWs) bands (ev): -7.5172 -7.5158 -7.2247 -7.2230 -6.8406 -6.8386 -6.7096 -6.7066 -2.1384 -2.1153 -2.0120 -1.9815 -0.8273 -0.7339 -0.5711 -0.4928 -0.3751 -0.3475 0.0487 0.0781 0.6480 0.6526 1.2264 1.2525 1.6557 1.7522 1.8723 1.9410 2.4868 2.5017 2.8048 2.8194 3.1946 3.2103 3.5141 3.5347 3.7371 3.7628 4.1474 4.1686 4.5548 4.5739 8.7381 8.7400 9.3728 9.3837 9.5031 9.5237 9.7879 9.8237 k = 0.0715 0.5406 0.3880 ( 4963 PWs) bands (ev): -7.5221 -7.5210 -7.2269 -7.2255 -6.8245 -6.8225 -6.7168 -6.7139 -2.1359 -2.1172 -2.0071 -1.9826 -0.8176 -0.7408 -0.5644 -0.4992 -0.3725 -0.3496 0.0411 0.0650 0.6594 0.6631 1.2397 1.2620 1.6395 1.7257 1.8580 1.9182 2.4846 2.4970 2.8174 2.8304 3.1961 3.2096 3.5275 3.5442 3.7521 3.7754 4.1318 4.1501 4.5454 4.5619 8.7489 8.7504 9.3867 9.3944 9.5440 9.5611 9.8156 9.8479 k = 0.0536 0.5354 0.3946 ( 4968 PWs) bands (ev): -7.5259 -7.5251 -7.2286 -7.2275 -6.8096 -6.8076 -6.7244 -6.7218 -2.1334 -2.1192 -2.0026 -1.9842 -0.8075 -0.7488 -0.5571 -0.5066 -0.3695 -0.3520 0.0358 0.0539 0.6689 0.6717 1.2514 1.2694 1.6288 1.6992 1.8501 1.8981 2.4829 2.4925 2.8289 2.8396 3.1965 3.2073 3.5403 3.5529 3.7656 3.7849 4.1191 4.1337 4.5377 4.5509 8.7576 8.7587 9.3964 9.4016 9.5771 9.5905 9.8475 9.8740 k = 0.0357 0.5301 0.4012 ( 4960 PWs) bands (ev): -7.5286 -7.5281 -7.2298 -7.2291 -6.7965 -6.7946 -6.7322 -6.7299 -2.1309 -2.1214 -1.9985 -1.9862 -0.7972 -0.7575 -0.5491 -0.5148 -0.3664 -0.3545 0.0327 0.0450 0.6762 0.6782 1.2613 1.2742 1.6246 1.6744 1.8477 1.8810 2.4820 2.4886 2.8387 2.8463 3.1966 3.2042 3.5512 3.5597 3.7769 3.7909 4.1103 4.1205 4.5324 4.5415 8.7641 8.7648 9.4029 9.4062 9.6012 9.6104 9.8791 9.8978 k = 0.0179 0.5249 0.4078 ( 4966 PWs) bands (ev): -7.5302 -7.5299 -7.2304 -7.2301 -6.7862 -6.7849 -6.7387 -6.7372 -2.1284 -2.1236 -1.9947 -1.9886 -0.7870 -0.7669 -0.5407 -0.5233 -0.3633 -0.3573 0.0321 0.0383 0.6810 0.6819 1.2689 1.2757 1.6274 1.6532 1.8501 1.8671 2.4821 2.4854 2.8458 2.8497 3.1972 3.2011 3.5592 3.5635 3.7856 3.7930 4.1058 4.1110 4.5299 4.5346 8.7681 8.7685 9.4069 9.4085 9.6165 9.6211 9.9042 9.9138 k = 0.0000 0.5196 0.4144 ( 4978 PWs) bands (ev): -7.5306 -7.5306 -7.2306 -7.2306 -6.7814 -6.7814 -6.7410 -6.7410 -2.1260 -2.1260 -1.9914 -1.9914 -0.7768 -0.7768 -0.5321 -0.5321 -0.3602 -0.3602 0.0340 0.0340 0.6829 0.6829 1.2739 1.2739 1.6371 1.6371 1.8567 1.8567 2.4832 2.4832 2.8496 2.8496 3.1987 3.1987 3.5634 3.5634 3.7911 3.7911 4.1060 4.1060 4.5307 4.5307 8.7696 8.7696 9.4088 9.4088 9.6231 9.6231 9.9166 9.9166 k = 0.0000 0.5196 0.4144 ( 4978 PWs) bands (ev): -7.5306 -7.5306 -7.2306 -7.2306 -6.7814 -6.7814 -6.7410 -6.7410 -2.1260 -2.1260 -1.9914 -1.9914 -0.7768 -0.7768 -0.5321 -0.5321 -0.3602 -0.3602 0.0340 0.0340 0.6829 0.6829 1.2739 1.2739 1.6371 1.6371 1.8567 1.8567 2.4832 2.4832 2.8496 2.8496 3.1987 3.1987 3.5634 3.5634 3.7911 3.7911 4.1060 4.1060 4.5307 4.5307 8.7696 8.7696 9.4088 9.4088 9.6231 9.6231 9.9166 9.9166 k = 0.0086 0.5082 0.4287 ( 4970 PWs) bands (ev): -7.5303 -7.5300 -7.2303 -7.2302 -6.7820 -6.7818 -6.7414 -6.7411 -2.1277 -2.1239 -1.9933 -1.9894 -0.7831 -0.7698 -0.5382 -0.5255 -0.3646 -0.3560 0.0265 0.0376 0.6776 0.6806 1.2578 1.2814 1.6345 1.6461 1.8525 1.8671 2.4817 2.4845 2.8480 2.8540 3.1990 3.2013 3.5627 3.5677 3.7892 3.7959 4.1052 4.1088 4.5296 4.5311 8.7652 8.7663 9.4076 9.4083 9.6169 9.6205 9.9167 9.9211 k = 0.0172 0.4968 0.4430 ( 4966 PWs) bands (ev): -7.5292 -7.5285 -7.2294 -7.2291 -6.7836 -6.7831 -6.7422 -6.7417 -2.1290 -2.1215 -1.9950 -1.9871 -0.7887 -0.7622 -0.5437 -0.5185 -0.3691 -0.3520 0.0155 0.0374 0.6649 0.6708 1.2349 1.2791 1.6384 1.6605 1.8551 1.8827 2.4801 2.4855 2.8495 2.8611 3.2023 3.2069 3.5659 3.5755 3.7901 3.8035 4.1063 4.1135 4.5279 4.5308 8.7532 8.7553 9.4046 9.4063 9.6031 9.6096 9.9212 9.9296 k = 0.0259 0.4854 0.4573 ( 4960 PWs) bands (ev): -7.5271 -7.5262 -7.2278 -7.2275 -6.7862 -6.7854 -6.7436 -6.7427 -2.1298 -2.1188 -1.9965 -1.9847 -0.7935 -0.7539 -0.5487 -0.5110 -0.3738 -0.3481 0.0012 0.0335 0.6452 0.6541 1.2066 1.2669 1.6479 1.6790 1.8650 1.9022 2.4787 2.4869 2.8543 2.8710 3.2088 3.2153 3.5725 3.5863 3.7937 3.8139 4.1093 4.1202 4.5256 4.5299 8.7340 8.7370 9.3991 9.4024 9.5840 9.5924 9.9294 9.9411 k = 0.0345 0.4740 0.4716 ( 4964 PWs) bands (ev): -7.5241 -7.5229 -7.2256 -7.2252 -6.7897 -6.7886 -6.7453 -6.7442 -2.1303 -2.1157 -1.9977 -1.9823 -0.7975 -0.7451 -0.5531 -0.5032 -0.3787 -0.3445 -0.0159 0.0260 0.6193 0.6313 1.1741 1.2459 1.6610 1.7002 1.8817 1.9243 2.4781 2.4891 2.8627 2.8838 3.2182 3.2264 3.5821 3.5993 3.7999 3.8270 4.1143 4.1291 4.5225 4.5284 8.7080 8.7117 9.3900 9.3960 9.5622 9.5716 9.9403 9.9547 k = 0.0431 0.4626 0.4858 ( 4966 PWs) bands (ev): -7.5203 -7.5188 -7.2228 -7.2223 -6.7941 -6.7928 -6.7476 -6.7462 -2.1302 -2.1124 -1.9987 -1.9797 -0.8006 -0.7358 -0.5568 -0.4951 -0.3838 -0.3410 -0.0353 0.0153 0.5880 0.6033 1.1382 1.2172 1.6756 1.7228 1.9048 1.9481 2.4790 2.4933 2.8748 2.8997 3.2303 3.2398 3.5942 3.6141 3.8085 3.8425 4.1213 4.1402 4.5186 4.5262 8.6758 8.6802 9.3763 9.3862 9.5406 9.5507 9.9528 9.9695 k = 0.0517 0.4512 0.5001 ( 4966 PWs) bands (ev): -7.5157 -7.5139 -7.2194 -7.2188 -6.7994 -6.7978 -6.7503 -6.7486 -2.1297 -2.1088 -1.9995 -1.9772 -0.8029 -0.7260 -0.5597 -0.4867 -0.3890 -0.3378 -0.0564 0.0019 0.5523 0.5710 1.0995 1.1824 1.6893 1.7449 1.9332 1.9730 2.4823 2.5003 2.8909 2.9189 3.2447 3.2553 3.6083 3.6299 3.8193 3.8601 4.1304 4.1535 4.5140 4.5233 8.6382 8.6430 9.3570 9.3718 9.5213 9.5327 9.9663 9.9851 k = 0.0603 0.4398 0.5144 ( 4968 PWs) bands (ev): -7.5102 -7.5081 -7.2154 -7.2147 -6.8056 -6.8038 -6.7534 -6.7515 -2.1287 -2.1051 -2.0000 -1.9747 -0.8044 -0.7160 -0.5619 -0.4782 -0.3942 -0.3350 -0.0786 -0.0138 0.5133 0.5355 1.0582 1.1427 1.7004 1.7643 1.9659 1.9995 2.4889 2.5112 2.9111 2.9416 3.2610 3.2723 3.6239 3.6465 3.8319 3.8794 4.1416 4.1690 4.5085 4.5197 8.5958 8.6010 9.3324 9.3518 9.5060 9.5190 9.9800 10.0011 k = 0.0690 0.4284 0.5287 ( 4960 PWs) bands (ev): -7.5039 -7.5015 -7.2108 -7.2100 -6.8126 -6.8106 -6.7570 -6.7549 -2.1273 -2.1011 -2.0004 -1.9723 -0.8049 -0.7058 -0.5631 -0.4700 -0.3993 -0.3324 -0.1011 -0.0314 0.4717 0.4977 1.0148 1.0989 1.7074 1.7785 2.0019 2.0292 2.4992 2.5262 2.9355 2.9679 3.2785 3.2904 3.6406 3.6636 3.8461 3.8999 4.1549 4.1868 4.5022 4.5154 8.5495 8.5548 9.3038 9.3269 9.4951 9.5095 9.9934 10.0173 k = 0.0776 0.4170 0.5430 ( 4958 PWs) bands (ev): -7.4968 -7.4942 -7.2058 -7.2049 -6.8204 -6.8182 -6.7611 -6.7587 -2.1253 -2.0971 -2.0005 -1.9700 -0.8045 -0.6956 -0.5632 -0.4624 -0.4037 -0.3304 -0.1234 -0.0503 0.4285 0.4582 0.9694 1.0521 1.7093 1.7853 2.0403 2.0637 2.5136 2.5453 2.9641 2.9977 3.2967 3.3090 3.6583 3.6810 3.8614 3.9211 4.1701 4.2066 4.4951 4.5103 8.4999 8.5053 9.2728 9.2984 9.4879 9.5029 10.0059 10.0334 k = 0.0862 0.4056 0.5573 ( 4962 PWs) bands (ev): -7.4889 -7.4860 -7.2002 -7.1993 -6.8289 -6.8265 -6.7655 -6.7629 -2.1229 -2.0929 -2.0004 -1.9679 -0.8031 -0.6857 -0.5622 -0.4566 -0.4066 -0.3288 -0.1447 -0.0703 0.3843 0.4178 0.9226 1.0027 1.7056 1.7837 2.0809 2.1035 2.5320 2.5677 2.9969 3.0308 3.3151 3.3276 3.6767 3.6986 3.8776 3.9428 4.1871 4.2282 4.4872 4.5044 8.4477 8.4531 9.2408 9.2679 9.4833 9.4981 10.0166 10.0491 k = 0.0948 0.3942 0.5716 ( 4964 PWs) bands (ev): -7.4803 -7.4772 -7.1942 -7.1933 -6.8382 -6.8356 -6.7704 -6.7676 -2.1200 -2.0886 -2.0002 -1.9660 -0.8009 -0.6762 -0.5599 -0.4542 -0.4064 -0.3280 -0.1643 -0.0908 0.3399 0.3771 0.8744 0.9515 1.6967 1.7741 2.1243 2.1478 2.5539 2.5926 3.0335 3.0668 3.3333 3.3462 3.6956 3.7165 3.8945 3.9646 4.2053 4.2510 4.4785 4.4978 8.3936 8.3989 9.2090 9.2366 9.4804 9.4941 10.0246 10.0636 k = 0.1034 0.3828 0.5859 ( 4972 PWs) bands (ev): -7.4711 -7.4677 -7.1877 -7.1868 -6.8480 -6.8452 -6.7758 -6.7726 -2.1167 -2.0842 -1.9998 -1.9645 -0.7977 -0.6674 -0.5562 -0.4561 -0.4022 -0.3279 -0.1815 -0.1115 0.2958 0.3365 0.8254 0.8988 1.6829 1.7579 2.1704 2.1951 2.5787 2.6191 3.0730 3.1049 3.3512 3.3648 3.7148 3.7346 3.9120 3.9862 4.2243 4.2747 4.4692 4.4905 8.3383 8.3433 9.1780 9.2055 9.4785 9.4905 10.0286 10.0752 k = 0.1121 0.3715 0.6002 ( 4968 PWs) bands (ev): -7.4611 -7.4576 -7.1810 -7.1801 -6.8584 -6.8555 -6.7815 -6.7781 -2.1130 -2.0798 -1.9993 -1.9633 -0.7936 -0.6595 -0.5510 -0.4614 -0.3949 -0.3286 -0.1960 -0.1320 0.2526 0.2965 0.7758 0.8451 1.6652 1.7365 2.2187 2.2443 2.6059 2.6465 3.1144 3.1441 3.3692 3.3837 3.7342 3.7527 3.9300 4.0077 4.2434 4.2985 4.4595 4.4827 8.2823 8.2869 9.1482 9.1751 9.4771 9.4869 10.0280 10.0818 k = 0.1207 0.3601 0.6144 ( 4960 PWs) bands (ev): -7.4506 -7.4469 -7.1740 -7.1731 -6.8692 -6.8662 -6.7875 -6.7839 -2.1088 -2.0754 -1.9988 -1.9625 -0.7888 -0.6527 -0.5448 -0.4687 -0.3858 -0.3299 -0.2071 -0.1521 0.2106 0.2575 0.7259 0.7909 1.6444 1.7115 2.2685 2.2944 2.6349 2.6744 3.1558 3.1828 3.3879 3.4036 3.7534 3.7709 3.9484 4.0288 4.2616 4.3217 4.4500 4.4747 8.2262 8.2303 9.1198 9.1455 9.4757 9.4836 10.0231 10.0820 k = 0.1293 0.3487 0.6287 ( 4960 PWs) bands (ev): -7.4396 -7.4357 -7.1668 -7.1659 -6.8804 -6.8773 -6.7939 -6.7900 -2.1042 -2.0710 -1.9982 -1.9621 -0.7832 -0.6469 -0.5379 -0.4764 -0.3765 -0.3316 -0.2148 -0.1713 0.1704 0.2197 0.6759 0.7363 1.6215 1.6841 2.3188 2.3446 2.6652 2.7026 3.1950 3.2191 3.4088 3.4255 3.7723 3.7892 3.9674 4.0495 4.2778 4.3433 4.4411 4.4670 8.1705 8.1741 9.0930 9.1169 9.4735 9.4812 10.0154 10.0764 k = 0.1379 0.3373 0.6430 ( 4960 PWs) bands (ev): -7.4281 -7.4241 -7.1596 -7.1587 -6.8918 -6.8887 -6.8006 -6.7964 -2.0993 -2.0666 -1.9977 -1.9621 -0.7770 -0.6422 -0.5317 -0.4830 -0.3682 -0.3325 -0.2193 -0.1891 0.1324 0.1834 0.6262 0.6818 1.5974 1.6554 2.3688 2.3941 2.6966 2.7311 3.2297 3.2509 3.4333 3.4503 3.7909 3.8078 3.9867 4.0697 4.2909 4.3619 4.4341 4.4603 8.1157 8.1188 9.0676 9.0895 9.4700 9.4801 10.0066 10.0672 k = 0.1466 0.3259 0.6573 ( 4960 PWs) bands (ev): -7.4162 -7.4121 -7.1524 -7.1514 -6.9033 -6.9002 -6.8076 -6.8031 -2.0940 -2.0622 -1.9972 -1.9627 -0.7704 -0.6383 -0.5282 -0.4864 -0.3626 -0.3316 -0.2209 -0.2045 0.0968 0.1489 0.5769 0.6276 1.5727 1.6263 2.4175 2.4420 2.7290 2.7602 3.2582 3.2765 3.4622 3.4778 3.8094 3.8270 4.0064 4.0892 4.2996 4.3750 4.4307 4.4560 8.0624 8.0649 9.0437 9.0632 9.4658 9.4798 9.9980 10.0565 k = 0.1552 0.3145 0.6716 ( 4962 PWs) bands (ev): -7.4040 -7.3998 -7.1455 -7.1442 -6.9147 -6.9116 -6.8147 -6.8100 -2.0885 -2.0579 -1.9968 -1.9638 -0.7637 -0.6350 -0.5289 -0.4851 -0.3606 -0.3288 -0.2223 -0.2138 0.0642 0.1164 0.5283 0.5739 1.5482 1.5975 2.4642 2.4875 2.7622 2.7900 3.2804 3.2959 3.4943 3.5071 3.8284 3.8474 4.0263 4.1081 4.3032 4.3797 4.4329 4.4549 8.0110 8.0129 9.0212 9.0382 9.4613 9.4798 9.9909 10.0459 k = 0.1638 0.3031 0.6859 ( 4966 PWs) bands (ev): -7.3916 -7.3874 -7.1390 -7.1374 -6.9258 -6.9229 -6.8220 -6.8170 -2.0827 -2.0536 -1.9965 -1.9653 -0.7571 -0.6320 -0.5328 -0.4804 -0.3612 -0.3266 -0.2275 -0.2116 0.0348 0.0860 0.4805 0.5211 1.5243 1.5696 2.5081 2.5299 2.7958 2.8206 3.2971 3.3104 3.5264 3.5357 3.8491 3.8695 4.0461 4.1261 4.3023 4.3768 4.4389 4.4574 7.9620 7.9635 8.9999 9.0144 9.4570 9.4796 9.9859 10.0364 k = 0.1724 0.2917 0.7002 ( 4972 PWs) bands (ev): -7.3791 -7.3749 -7.1331 -7.1310 -6.9364 -6.9336 -6.8294 -6.8241 -2.0767 -2.0494 -1.9964 -1.9674 -0.7510 -0.6287 -0.5375 -0.4748 -0.3637 -0.3270 -0.2288 -0.2041 0.0089 0.0580 0.4338 0.4693 1.5016 1.5430 2.5485 2.5686 2.8296 2.8520 3.3098 3.3219 3.5548 3.5607 3.8726 3.8943 4.0655 4.1431 4.2978 4.3697 4.4453 4.4622 7.9159 7.9170 8.9801 8.9921 9.4530 9.4791 9.9833 10.0289 k = 0.1810 0.2803 0.7145 ( 4980 PWs) bands (ev): -7.3667 -7.3626 -7.1279 -7.1252 -6.9462 -6.9437 -6.8367 -6.8311 -2.0706 -2.0453 -1.9965 -1.9699 -0.7457 -0.6249 -0.5419 -0.4699 -0.3688 -0.3293 -0.2246 -0.1932 -0.0129 0.0325 0.3884 0.4188 1.4804 1.5182 2.5851 2.6033 2.8627 2.8838 3.3203 3.3324 3.5762 3.5801 3.8997 3.9223 4.0843 4.1592 4.2914 4.3612 4.4502 4.4671 7.8730 7.8741 8.9616 8.9715 9.4494 9.4779 9.9832 10.0234 k = 0.1897 0.2689 0.7288 ( 4974 PWs) bands (ev): -7.3545 -7.3506 -7.1238 -7.1204 -6.9550 -6.9528 -6.8438 -6.8380 -2.0645 -2.0413 -1.9968 -1.9729 -0.7417 -0.6199 -0.5455 -0.4663 -0.3776 -0.3309 -0.2163 -0.1793 -0.0305 0.0098 0.3444 0.3700 1.4610 1.4955 2.6174 2.6337 2.8944 2.9152 3.3302 3.3432 3.5881 3.5929 3.9303 3.9531 4.1021 4.1744 4.2843 4.3524 4.4531 4.4702 7.8339 7.8350 8.9447 8.9526 9.4465 9.4761 9.9853 10.0202 k = 0.1983 0.2575 0.7431 ( 4976 PWs) bands (ev): -7.3429 -7.3392 -7.1208 -7.1166 -6.9624 -6.9606 -6.8507 -6.8446 -2.0584 -2.0374 -1.9974 -1.9761 -0.7390 -0.6135 -0.5480 -0.4642 -0.3899 -0.3306 -0.2061 -0.1629 -0.0432 -0.0098 0.3021 0.3233 1.4438 1.4752 2.6454 2.6600 2.9238 2.9450 3.3409 3.3553 3.5908 3.5980 3.9633 3.9859 4.1185 4.1889 4.2773 4.3444 4.4538 4.4705 7.7990 7.8003 8.9295 8.9357 9.4443 9.4735 9.9893 10.0189 k = 0.2069 0.2461 0.7573 ( 4974 PWs) bands (ev): -7.3320 -7.3286 -7.1190 -7.1141 -6.9684 -6.9669 -6.8571 -6.8507 -2.0525 -2.0336 -1.9983 -1.9796 -0.7375 -0.6058 -0.5497 -0.4634 -0.4042 -0.3290 -0.1955 -0.1449 -0.0509 -0.0256 0.2615 0.2795 1.4289 1.4576 2.6690 2.6820 2.9500 2.9717 3.3537 3.3697 3.5857 3.5954 3.9968 4.0186 4.1332 4.2030 4.2709 4.3379 4.4521 4.4677 7.7688 7.7701 8.9162 8.9210 9.4429 9.4703 9.9945 10.0191 k = 0.2155 0.2347 0.7716 ( 4968 PWs) bands (ev): -7.3221 -7.3192 -7.1184 -7.1127 -6.9729 -6.9717 -6.8628 -6.8561 -2.0470 -2.0299 -1.9997 -1.9831 -0.7370 -0.5969 -0.5506 -0.4637 -0.4189 -0.3270 -0.1861 -0.1265 -0.0550 -0.0352 0.2228 0.2396 1.4165 1.4428 2.6883 2.7000 2.9720 2.9942 3.3693 3.3866 3.5743 3.5862 4.0286 4.0489 4.1456 4.2169 4.2652 4.3334 4.4483 4.4620 7.7436 7.7449 8.9049 8.9086 9.4422 9.4666 10.0004 10.0201 k = 0.2241 0.2233 0.7859 ( 4962 PWs) bands (ev): -7.3137 -7.3113 -7.1186 -7.1124 -6.9759 -6.9750 -6.8677 -6.8607 -2.0423 -2.0260 -2.0016 -1.9863 -0.7371 -0.5876 -0.5509 -0.4653 -0.4322 -0.3250 -0.1791 -0.1089 -0.0601 -0.0337 0.1865 0.2052 1.4068 1.4312 2.7033 2.7140 2.9894 3.0118 3.3876 3.4057 3.5585 3.5717 4.0565 4.0743 4.1557 4.2307 4.2601 4.3311 4.4430 4.4542 7.7237 7.7250 8.8960 8.8989 9.4424 9.4627 10.0062 10.0213 k = 0.2328 0.2119 0.8002 ( 4968 PWs) bands (ev): -7.3072 -7.3055 -7.1193 -7.1126 -6.9777 -6.9770 -6.8714 -6.8642 -2.0387 -2.0220 -2.0042 -1.9888 -0.7374 -0.5790 -0.5508 -0.4683 -0.4422 -0.3235 -0.1746 -0.0942 -0.0656 -0.0231 0.1541 0.1780 1.3997 1.4228 2.7141 2.7241 3.0018 3.0243 3.4077 3.4254 3.5407 3.5540 4.0790 4.0926 4.1633 4.2432 4.2560 4.3309 4.4375 4.4456 7.7094 7.7105 8.8894 8.8918 9.4433 9.4590 10.0112 10.0222 k = 0.2414 0.2005 0.8145 ( 4968 PWs) bands (ev): -7.3029 -7.3020 -7.1199 -7.1129 -6.9786 -6.9782 -6.8737 -6.8664 -2.0364 -2.0180 -2.0075 -1.9904 -0.7377 -0.5729 -0.5503 -0.4721 -0.4477 -0.3225 -0.1724 -0.0848 -0.0683 -0.0107 0.1296 0.1600 1.3955 1.4176 2.7205 2.7301 3.0091 3.0316 3.4266 3.4415 3.5260 3.5360 4.0946 4.1021 4.1684 4.2494 4.2561 4.3318 4.4335 4.4384 7.7007 7.7018 8.8855 8.8875 9.4446 9.4559 10.0150 10.0224 k = 0.2500 0.1891 0.8288 ( 4960 PWs) bands (ev): -7.3011 -7.3010 -7.1202 -7.1131 -6.9789 -6.9785 -6.8745 -6.8672 -2.0357 -2.0155 -2.0097 -1.9909 -0.7379 -0.5706 -0.5500 -0.4740 -0.4494 -0.3222 -0.1718 -0.0822 -0.0684 -0.0048 0.1200 0.1536 1.3941 1.4159 2.7227 2.7321 3.0116 3.0340 3.4362 3.4473 3.5223 3.5250 4.1025 4.1027 4.1703 4.2491 4.2587 4.3323 4.4322 4.4354 7.6978 7.6988 8.8841 8.8860 9.4453 9.4546 10.0164 10.0224 k = 0.2500 0.1891 0.8288 ( 4960 PWs) bands (ev): -7.3011 -7.3010 -7.1202 -7.1131 -6.9789 -6.9785 -6.8745 -6.8672 -2.0357 -2.0155 -2.0097 -1.9909 -0.7379 -0.5706 -0.5500 -0.4740 -0.4494 -0.3222 -0.1718 -0.0822 -0.0684 -0.0048 0.1200 0.1536 1.3941 1.4159 2.7227 2.7321 3.0116 3.0340 3.4362 3.4473 3.5223 3.5250 4.1025 4.1027 4.1703 4.2491 4.2587 4.3323 4.4322 4.4354 7.6978 7.6988 8.8841 8.8860 9.4453 9.4546 10.0164 10.0224 k = 0.2625 0.1986 0.8169 ( 4972 PWs) bands (ev): -7.3018 -7.3013 -7.1201 -7.1131 -6.9788 -6.9784 -6.8742 -6.8669 -2.0359 -2.0166 -2.0087 -1.9907 -0.7376 -0.5729 -0.5489 -0.4746 -0.4480 -0.3230 -0.1804 -0.0895 -0.0602 0.0023 0.1230 0.1553 1.3965 1.4184 2.7189 2.7283 3.0069 3.0293 3.4329 3.4461 3.5246 3.5326 4.0995 4.1039 4.1701 4.2449 4.2634 4.3332 4.4334 4.4372 7.6973 7.6983 8.8833 8.8852 9.4464 9.4564 10.0159 10.0223 k = 0.2750 0.2080 0.8051 ( 4970 PWs) bands (ev): -7.3031 -7.3022 -7.1200 -7.1131 -6.9785 -6.9780 -6.8734 -6.8663 -2.0365 -2.0187 -2.0070 -1.9902 -0.7367 -0.5788 -0.5472 -0.4751 -0.4445 -0.3258 -0.2003 -0.1046 -0.0425 0.0194 0.1310 0.1607 1.4035 1.4256 2.7077 2.7170 2.9940 3.0164 3.4233 3.4393 3.5367 3.5501 4.0952 4.1036 4.1695 4.2382 4.2714 4.3370 4.4368 4.4421 7.6956 7.6966 8.8807 8.8827 9.4502 9.4617 10.0151 10.0223 k = 0.2875 0.2175 0.7932 ( 4962 PWs) bands (ev): -7.3048 -7.3035 -7.1200 -7.1133 -6.9780 -6.9775 -6.8723 -6.8654 -2.0376 -2.0212 -2.0054 -1.9893 -0.7355 -0.5873 -0.5470 -0.4739 -0.4390 -0.3312 -0.2224 -0.1216 -0.0226 0.0404 0.1418 0.1711 1.4149 1.4373 2.6898 2.6988 2.9744 2.9968 3.4108 3.4278 3.5555 3.5720 4.0902 4.1021 4.1682 4.2318 4.2803 4.3443 4.4420 4.4493 7.6925 7.6936 8.8766 8.8787 9.4573 9.4704 10.0148 10.0228 k = 0.3000 0.2269 0.7814 ( 4963 PWs) bands (ev): -7.3068 -7.3051 -7.1201 -7.1138 -6.9774 -6.9768 -6.8711 -6.8643 -2.0391 -2.0237 -2.0044 -1.9880 -0.7341 -0.5979 -0.5485 -0.4711 -0.4317 -0.3403 -0.2414 -0.1376 -0.0047 0.0623 0.1538 0.1883 1.4304 1.4532 2.6660 2.6745 2.9495 2.9718 3.3984 3.4146 3.5756 3.5943 4.0849 4.0995 4.1663 4.2262 4.2898 4.3546 4.4485 4.4589 7.6880 7.6893 8.8712 8.8735 9.4679 9.4827 10.0154 10.0240 k = 0.3125 0.2364 0.7695 ( 4965 PWs) bands (ev): -7.3087 -7.3067 -7.1205 -7.1145 -6.9766 -6.9761 -6.8697 -6.8633 -2.0412 -2.0261 -2.0040 -1.9863 -0.7331 -0.6100 -0.5513 -0.4675 -0.4223 -0.3533 -0.2546 -0.1515 0.0097 0.0823 0.1684 0.2119 1.4497 1.4729 2.6372 2.6452 2.9200 2.9424 3.3875 3.4021 3.5933 3.6139 4.0793 4.0961 4.1640 4.2215 4.2997 4.3660 4.4566 4.4710 7.6824 7.6842 8.8650 8.8673 9.4820 9.4982 10.0173 10.0263 k = 0.3250 0.2458 0.7577 ( 4967 PWs) bands (ev): -7.3104 -7.3081 -7.1211 -7.1156 -6.9758 -6.9752 -6.8685 -6.8624 -2.0439 -2.0283 -2.0041 -1.9845 -0.7329 -0.6228 -0.5550 -0.4637 -0.4116 -0.3683 -0.2618 -0.1625 0.0207 0.0979 0.1877 0.2401 1.4724 1.4960 2.6048 2.6122 2.8867 2.9091 3.3789 3.3913 3.6066 3.6293 4.0738 4.0922 4.1618 4.2178 4.3094 4.3768 4.4666 4.4858 7.6760 7.6785 8.8584 8.8606 9.4995 9.5168 10.0205 10.0296 k = 0.3375 0.2553 0.7458 ( 4968 PWs) bands (ev): -7.3119 -7.3093 -7.1220 -7.1170 -6.9748 -6.9743 -6.8675 -6.8618 -2.0471 -2.0303 -2.0046 -1.9829 -0.7345 -0.6350 -0.5590 -0.4602 -0.4031 -0.3801 -0.2641 -0.1705 0.0292 0.1084 0.2122 0.2711 1.4981 1.5221 2.5698 2.5769 2.8502 2.8726 3.3726 3.3827 3.6145 3.6396 4.0686 4.0881 4.1600 4.2150 4.3179 4.3850 4.4791 4.5031 7.6694 7.6727 8.8518 8.8538 9.5201 9.5382 10.0248 10.0339 k = 0.3500 0.2648 0.7339 ( 4971 PWs) bands (ev): -7.3129 -7.3101 -7.1233 -7.1186 -6.9737 -6.9732 -6.8669 -6.8615 -2.0509 -2.0322 -2.0054 -1.9815 -0.7387 -0.6454 -0.5630 -0.4569 -0.4080 -0.3767 -0.2623 -0.1752 0.0357 0.1152 0.2401 0.3036 1.5263 1.5508 2.5333 2.5407 2.8112 2.8336 3.3682 3.3764 3.6166 3.6442 4.0639 4.0842 4.1587 4.2128 4.3242 4.3897 4.4939 4.5222 7.6632 7.6676 8.8456 8.8474 9.5432 9.5620 10.0299 10.0389 k = 0.3625 0.2742 0.7221 ( 4973 PWs) bands (ev): -7.3135 -7.3105 -7.1250 -7.1207 -6.9725 -6.9720 -6.8666 -6.8616 -2.0552 -2.0341 -2.0063 -1.9806 -0.7462 -0.6535 -0.5667 -0.4541 -0.4188 -0.3657 -0.2563 -0.1764 0.0411 0.1197 0.2694 0.3365 1.5566 1.5816 2.4964 2.5047 2.7704 2.7928 3.3649 3.3724 3.6133 3.6434 4.0600 4.0807 4.1579 4.2111 4.3278 4.3907 4.5102 4.5418 7.6582 7.6637 8.8402 8.8417 9.5683 9.5878 10.0354 10.0444 k = 0.3750 0.2837 0.7102 ( 4969 PWs) bands (ev): -7.3135 -7.3104 -7.1271 -7.1231 -6.9712 -6.9707 -6.8668 -6.8621 -2.0599 -2.0360 -2.0072 -1.9801 -0.7567 -0.6596 -0.5696 -0.4524 -0.4270 -0.3555 -0.2459 -0.1739 0.0456 0.1230 0.2986 0.3690 1.5885 1.6140 2.4603 2.4698 2.7288 2.7510 3.3616 3.3705 3.6050 3.6373 4.0570 4.0779 4.1578 4.2099 4.3284 4.3884 4.5268 4.5606 7.6549 7.6617 8.8357 8.8372 9.5946 9.6152 10.0406 10.0499 k = 0.3875 0.2931 0.6984 ( 4969 PWs) bands (ev): -7.3130 -7.3096 -7.1296 -7.1259 -6.9698 -6.9693 -6.8674 -6.8630 -2.0649 -2.0380 -2.0082 -1.9801 -0.7693 -0.6646 -0.5713 -0.4531 -0.4303 -0.3477 -0.2310 -0.1673 0.0496 0.1258 0.3267 0.4005 1.6214 1.6474 2.4258 2.4368 2.6873 2.7091 3.3581 3.3702 3.5923 3.6263 4.0549 4.0760 4.1581 4.2091 4.3259 4.3832 4.5421 4.5775 7.6541 7.6623 8.8325 8.8343 9.6213 9.6436 10.0450 10.0550 k = 0.4000 0.3026 0.6865 ( 4965 PWs) bands (ev): -7.3119 -7.3084 -7.1328 -7.1292 -6.9682 -6.9677 -6.8684 -6.8643 -2.0702 -2.0401 -2.0091 -1.9807 -0.7829 -0.6694 -0.5716 -0.4563 -0.4285 -0.3425 -0.2125 -0.1561 0.0534 0.1284 0.3529 0.4301 1.6546 1.6811 2.3940 2.4064 2.6467 2.6680 3.3540 3.3707 3.5759 3.6109 4.0538 4.0752 4.1589 4.2085 4.3207 4.3753 4.5552 4.5913 7.6563 7.6660 8.8307 8.8331 9.6477 9.6723 10.0476 10.0591 k = 0.4125 0.3120 0.6747 ( 4971 PWs) bands (ev): -7.3102 -7.3065 -7.1366 -7.1331 -6.9665 -6.9660 -6.8697 -6.8659 -2.0757 -2.0423 -2.0100 -1.9817 -0.7967 -0.6744 -0.5706 -0.4601 -0.4239 -0.3395 -0.1917 -0.1396 0.0571 0.1313 0.3766 0.4576 1.6876 1.7145 2.3655 2.3790 2.6080 2.6285 3.3490 3.3714 3.5565 3.5918 4.0535 4.0753 4.1600 4.2083 4.3128 4.3650 4.5649 4.6013 7.6617 7.6730 8.8307 8.8337 9.6730 9.7005 10.0478 10.0618 k = 0.4250 0.3215 0.6628 ( 4964 PWs) bands (ev): -7.3079 -7.3040 -7.1411 -7.1375 -6.9647 -6.9642 -6.8712 -6.8676 -2.0814 -2.0445 -2.0109 -1.9830 -0.8102 -0.6798 -0.5686 -0.4633 -0.4180 -0.3379 -0.1697 -0.1178 0.0611 0.1347 0.3973 0.4824 1.7195 1.7466 2.3410 2.3553 2.5720 2.5916 3.3425 3.3717 3.5352 3.5693 4.0538 4.0764 4.1614 4.2082 4.3025 4.3526 4.5708 4.6072 7.6707 7.6835 8.8327 8.8364 9.6963 9.7273 10.0450 10.0625 k = 0.4375 0.3309 0.6509 ( 4959 PWs) bands (ev): -7.3052 -7.3011 -7.1464 -7.1427 -6.9627 -6.9622 -6.8728 -6.8694 -2.0872 -2.0469 -2.0118 -1.9847 -0.8230 -0.6853 -0.5663 -0.4657 -0.4116 -0.3373 -0.1466 -0.0913 0.0655 0.1390 0.4147 0.5042 1.7495 1.7765 2.3209 2.3353 2.5398 2.5584 3.3338 3.3714 3.5130 3.5442 4.0545 4.0781 4.1632 4.2081 4.2901 4.3381 4.5729 4.6090 7.6830 7.6975 8.8368 8.8412 9.7168 9.7513 10.0389 10.0608 k = 0.4500 0.3404 0.6391 ( 4961 PWs) bands (ev): -7.3020 -7.2977 -7.1525 -7.1485 -6.9605 -6.9600 -6.8744 -6.8709 -2.0930 -2.0493 -2.0128 -1.9864 -0.8349 -0.6906 -0.5638 -0.4674 -0.4049 -0.3372 -0.1222 -0.0620 0.0709 0.1449 0.4286 0.5230 1.7765 1.8033 2.3055 2.3195 2.5121 2.5298 3.3221 3.3698 3.4909 3.5174 4.0550 4.0800 4.1652 4.2079 4.2759 4.3217 4.5712 4.6069 7.6986 7.7146 8.8431 8.8482 9.7334 9.7711 10.0296 10.0569 k = 0.4625 0.3499 0.6272 ( 4963 PWs) bands (ev): -7.2987 -7.2942 -7.1593 -7.1550 -6.9582 -6.9576 -6.8757 -6.8722 -2.0987 -2.0518 -2.0140 -1.9881 -0.8458 -0.6957 -0.5616 -0.4685 -0.3984 -0.3374 -0.0965 -0.0317 0.0777 0.1530 0.4389 0.5387 1.7997 1.8258 2.2945 2.3078 2.4900 2.5071 3.3066 3.3661 3.4701 3.4899 4.0549 4.0815 4.1677 4.2072 4.2604 4.3037 4.5664 4.6015 7.7170 7.7346 8.8516 8.8574 9.7448 9.7848 10.0178 10.0512 k = 0.4750 0.3593 0.6154 ( 4975 PWs) bands (ev): -7.2956 -7.2908 -7.1666 -7.1620 -6.9556 -6.9549 -6.8766 -6.8731 -2.1043 -2.0543 -2.0155 -1.9896 -0.8556 -0.7004 -0.5597 -0.4691 -0.3923 -0.3377 -0.0701 -0.0027 0.0871 0.1648 0.4460 0.5515 1.8179 1.8434 2.2877 2.3003 2.4743 2.4913 3.2869 3.3587 3.4517 3.4636 4.0532 4.0816 4.1709 4.2048 4.2449 4.2845 4.5592 4.5937 7.7376 7.7567 8.8624 8.8687 9.7495 9.7902 10.0049 10.0445 k = 0.4875 0.3688 0.6035 ( 4973 PWs) bands (ev): -7.2930 -7.2879 -7.1740 -7.1691 -6.9528 -6.9520 -6.8770 -6.8735 -2.1096 -2.0568 -2.0173 -1.9907 -0.8643 -0.7046 -0.5581 -0.4695 -0.3865 -0.3379 -0.0448 0.0229 0.1001 0.1817 0.4504 0.5617 1.8306 1.8555 2.2842 2.2964 2.4659 2.4830 3.2626 3.3452 3.4363 3.4414 4.0491 4.0792 4.1748 4.1984 4.2315 4.2654 4.5510 4.5844 7.7599 7.7803 8.8752 8.8820 9.7458 9.7851 9.9915 10.0373 k = 0.5000 0.3782 0.5917 ( 4974 PWs) bands (ev): -7.2917 -7.2864 -7.1808 -7.1758 -6.9497 -6.9488 -6.8769 -6.8732 -2.1146 -2.0593 -2.0196 -1.9914 -0.8719 -0.7085 -0.5568 -0.4696 -0.3813 -0.3382 -0.0228 0.0437 0.1179 0.2047 0.4531 0.5698 1.8374 1.8624 2.2830 2.2954 2.4652 2.4824 3.2344 3.3236 3.4236 3.4257 4.0418 4.0730 4.1759 4.1887 4.2192 4.2508 4.5427 4.5748 7.7830 7.8046 8.8898 8.8969 9.7326 9.7685 9.9768 10.0280 k = 0.5000 0.3782 0.5917 ( 4974 PWs) bands (ev): -7.2917 -7.2864 -7.1808 -7.1758 -6.9497 -6.9488 -6.8769 -6.8732 -2.1146 -2.0593 -2.0196 -1.9914 -0.8719 -0.7085 -0.5568 -0.4696 -0.3813 -0.3382 -0.0228 0.0437 0.1179 0.2047 0.4531 0.5698 1.8374 1.8624 2.2830 2.2954 2.4652 2.4824 3.2344 3.3236 3.4236 3.4257 4.0418 4.0730 4.1759 4.1887 4.2192 4.2508 4.5427 4.5748 7.7830 7.8046 8.8898 8.8969 9.7326 9.7685 9.9768 10.0280 k = 0.5000 0.3782 0.5713 ( 4972 PWs) bands (ev): -7.2916 -7.2861 -7.1918 -7.1865 -6.9437 -6.9427 -6.8758 -6.8719 -2.1225 -2.0636 -2.0241 -1.9920 -0.8834 -0.7150 -0.5547 -0.4710 -0.3733 -0.3385 0.0084 0.0723 0.1580 0.2526 0.4576 0.5824 1.8447 1.8706 2.2826 2.2956 2.4709 2.4880 3.1830 3.2784 3.4042 3.4056 4.0257 4.0581 4.1629 4.1803 4.1955 4.2362 4.5287 4.5580 7.8230 7.8464 8.9158 8.9234 9.6952 9.7241 9.9446 10.0040 k = 0.5000 0.3782 0.5509 ( 4964 PWs) bands (ev): -7.2921 -7.2865 -7.2032 -7.1979 -6.9372 -6.9359 -6.8739 -6.8698 -2.1295 -2.0681 -2.0291 -1.9923 -0.8934 -0.7219 -0.5523 -0.4742 -0.3665 -0.3387 0.0347 0.0951 0.2067 0.3047 0.4642 0.5953 1.8532 1.8798 2.2828 2.2962 2.4763 2.4934 3.1326 3.2322 3.3856 3.3869 4.0088 4.0423 4.1474 4.1664 4.1792 4.2238 4.5139 4.5401 7.8619 7.8869 8.9405 8.9485 9.6473 9.6699 9.9032 9.9674 k = 0.5000 0.3782 0.5305 ( 4964 PWs) bands (ev): -7.2935 -7.2878 -7.2150 -7.2097 -6.9300 -6.9286 -6.8711 -6.8669 -2.1356 -2.0728 -2.0345 -1.9924 -0.9022 -0.7291 -0.5500 -0.4791 -0.3618 -0.3379 0.0570 0.1128 0.2618 0.3580 0.4744 0.6087 1.8632 1.8902 2.2836 2.2974 2.4815 2.4983 3.0840 3.1861 3.3684 3.3695 3.9913 4.0257 4.1306 4.1461 4.1710 4.2131 4.4986 4.5215 7.8991 7.9253 8.9632 8.9712 9.5914 9.6093 9.8493 9.9052 k = 0.5000 0.3782 0.5101 ( 4954 PWs) bands (ev): -7.2958 -7.2902 -7.2270 -7.2218 -6.9222 -6.9207 -6.8675 -6.8631 -2.1407 -2.0777 -2.0399 -1.9924 -0.9097 -0.7364 -0.5479 -0.4852 -0.3596 -0.3354 0.0761 0.1255 0.3209 0.4087 0.4908 0.6227 1.8749 1.9022 2.2851 2.2990 2.4861 2.5028 3.0383 3.1410 3.3529 3.3534 3.9733 4.0084 4.1133 4.1260 4.1641 4.2033 4.4829 4.5026 7.9339 7.9610 8.9828 8.9907 9.5300 9.5448 9.7811 9.8207 k = 0.5000 0.3782 0.4897 ( 4956 PWs) bands (ev): -7.2991 -7.2938 -7.2390 -7.2340 -6.9139 -6.9123 -6.8629 -6.8585 -2.1448 -2.0827 -2.0453 -1.9922 -0.9160 -0.7439 -0.5463 -0.4925 -0.3600 -0.3313 0.0925 0.1329 0.3818 0.4511 0.5183 0.6383 1.8884 1.9160 2.2874 2.3013 2.4899 2.5067 2.9962 3.0979 3.3389 3.3392 3.9549 3.9904 4.0958 4.1073 4.1574 4.1941 4.4671 4.4836 7.9657 7.9931 8.9980 9.0057 9.4650 9.4788 9.7010 9.7287 k = 0.5000 0.3782 0.4693 ( 4952 PWs) bands (ev): -7.3036 -7.2987 -7.2507 -7.2461 -6.9050 -6.9034 -6.8574 -6.8531 -2.1478 -2.0878 -2.0507 -1.9919 -0.9213 -0.7513 -0.5454 -0.5005 -0.3620 -0.3264 0.1063 0.1347 0.4417 0.4839 0.5575 0.6570 1.9039 1.9317 2.2904 2.3042 2.4929 2.5098 2.9587 3.0577 3.3262 3.3275 3.9362 3.9720 4.0785 4.0898 4.1509 4.1854 4.4511 4.4649 7.9939 8.0212 9.0070 9.0148 9.3982 9.4134 9.6137 9.6358 k = 0.5000 0.3782 0.4488 ( 4956 PWs) bands (ev): -7.3093 -7.3050 -7.2620 -7.2580 -6.8956 -6.8940 -6.8511 -6.8468 -2.1498 -2.0930 -2.0559 -1.9915 -0.9256 -0.7586 -0.5455 -0.5090 -0.3651 -0.3213 0.1173 0.1307 0.4926 0.5190 0.6002 0.6816 1.9216 1.9496 2.2943 2.3078 2.4947 2.5121 2.9266 3.0213 3.3153 3.3177 3.9172 3.9532 4.0617 4.0736 4.1445 4.1768 4.4351 4.4468 8.0178 8.0447 9.0069 9.0163 9.3317 9.3501 9.5245 9.5454 k = 0.5000 0.3782 0.4284 ( 4954 PWs) bands (ev): -7.3163 -7.3128 -7.2726 -7.2695 -6.8858 -6.8842 -6.8440 -6.8399 -2.1509 -2.0982 -2.0609 -1.9910 -0.9290 -0.7657 -0.5470 -0.5174 -0.3690 -0.3164 0.1210 0.1254 0.5254 0.5666 0.6405 0.7154 1.9416 1.9696 2.2990 2.3121 2.4949 2.5133 2.9009 2.9896 3.3063 3.3100 3.8982 3.9342 4.0455 4.0585 4.1382 4.1685 4.4188 4.4298 8.0372 8.0631 8.9945 9.0074 9.2672 9.2895 9.4384 9.4618 k = 0.5000 0.3782 0.4080 ( 4958 PWs) bands (ev): -7.3244 -7.3219 -7.2827 -7.2805 -6.8754 -6.8739 -6.8363 -6.8324 -2.1509 -2.1034 -2.0657 -1.9904 -0.9314 -0.7727 -0.5508 -0.5248 -0.3734 -0.3119 0.1062 0.1302 0.5528 0.6088 0.6822 0.7579 1.9636 1.9916 2.3045 2.3170 2.4935 2.5133 2.8822 2.9636 3.2993 3.3043 3.8792 3.9150 4.0299 4.0441 4.1323 4.1605 4.4024 4.4140 8.0517 8.0763 8.9678 8.9845 9.2038 9.2293 9.3621 9.3911 k = 0.5000 0.3782 0.3876 ( 4966 PWs) bands (ev): -7.3338 -7.3318 -7.2922 -7.2909 -6.8647 -6.8632 -6.8281 -6.8244 -2.1501 -2.1084 -2.0703 -1.9897 -0.9329 -0.7793 -0.5574 -0.5305 -0.3782 -0.3080 0.0869 0.1316 0.5791 0.6386 0.7306 0.8055 1.9875 2.0151 2.3107 2.3225 2.4902 2.5117 2.8714 2.9442 3.2941 3.3006 3.8603 3.8959 4.0150 4.0305 4.1267 4.1526 4.3859 4.3994 8.0612 8.0840 8.9271 8.9456 9.1373 9.1638 9.3044 9.3396 k = 0.5000 0.3782 0.3672 ( 4962 PWs) bands (ev): -7.3442 -7.3424 -7.3014 -7.3006 -6.8537 -6.8522 -6.8195 -6.8160 -2.1484 -2.1131 -2.0747 -1.9889 -0.9336 -0.7856 -0.5667 -0.5347 -0.3836 -0.3047 0.0638 0.1296 0.6041 0.6601 0.7829 0.8554 2.0128 2.0398 2.3175 2.3286 2.4850 2.5084 2.8691 2.9324 3.2909 3.2988 3.8417 3.8768 4.0007 4.0174 4.1215 4.1451 4.3698 4.3858 8.0657 8.0863 8.8754 8.8932 9.0646 9.0901 9.2691 9.3067 k = 0.5000 0.3782 0.3468 ( 4946 PWs) bands (ev): -7.3552 -7.3532 -7.3106 -7.3096 -6.8424 -6.8410 -6.8106 -6.8074 -2.1460 -2.1174 -2.0789 -1.9881 -0.9334 -0.7915 -0.5778 -0.5381 -0.3894 -0.3023 0.0378 0.1242 0.6269 0.6782 0.8356 0.9065 2.0388 2.0647 2.3247 2.3349 2.4782 2.5034 2.8756 2.9291 3.2894 3.2990 3.8234 3.8579 3.9869 4.0047 4.1170 4.1379 4.3541 4.3729 8.0654 8.0834 8.8167 8.8319 8.9881 9.0122 9.2500 9.2864 k = 0.5000 0.3782 0.3264 ( 4942 PWs) bands (ev): -7.3665 -7.3641 -7.3196 -7.3183 -6.8310 -6.8296 -6.8016 -6.7987 -2.1433 -2.1211 -2.0828 -1.9873 -0.9324 -0.7969 -0.5899 -0.5414 -0.3956 -0.3009 0.0098 0.1157 0.6469 0.6948 0.8872 0.9583 2.0649 2.0891 2.3319 2.3412 2.4701 2.4968 2.8909 2.9349 3.2897 3.3010 3.8055 3.8393 3.9733 3.9924 4.1131 4.1312 4.3389 4.3607 8.0605 8.0754 8.7547 8.7658 8.9115 8.9343 9.2393 9.2726 k = 0.5000 0.3782 0.3060 ( 4938 PWs) bands (ev): -7.3777 -7.3751 -7.3283 -7.3267 -6.8195 -6.8182 -6.7926 -6.7899 -2.1407 -2.1237 -2.0863 -1.9865 -0.9304 -0.8019 -0.6027 -0.5449 -0.4022 -0.3010 -0.0192 0.1043 0.6637 0.7103 0.9375 1.0102 2.0902 2.1123 2.3387 2.3471 2.4613 2.4888 2.9149 2.9500 3.2917 3.3048 3.7881 3.8211 3.9600 3.9803 4.1099 4.1249 4.3243 4.3490 8.0513 8.0628 8.6918 8.6979 8.8374 8.8591 9.2322 9.2613 k = 0.5000 0.3782 0.2856 ( 4938 PWs) bands (ev): -7.3887 -7.3860 -7.3368 -7.3350 -6.8082 -6.8068 -6.7836 -6.7812 -2.1393 -2.1245 -2.0893 -1.9857 -0.9276 -0.8063 -0.6160 -0.5488 -0.4093 -0.3028 -0.0480 0.0906 0.6778 0.7245 0.9869 1.0616 2.1140 2.1337 2.3444 2.3520 2.4525 2.4800 2.9472 2.9743 3.2953 3.3104 3.7714 3.8033 3.9468 3.9683 4.1075 4.1191 4.3102 4.3375 8.0379 8.0459 8.6286 8.6320 8.7670 8.7878 9.2258 9.2501 k = 0.5000 0.3782 0.2652 ( 4946 PWs) bands (ev): -7.3994 -7.3965 -7.3449 -7.3431 -6.7970 -6.7956 -6.7748 -6.7726 -2.1398 -2.1233 -2.0914 -1.9851 -0.9238 -0.8101 -0.6295 -0.5532 -0.4169 -0.3071 -0.0753 0.0750 0.6896 0.7368 1.0356 1.1121 2.1358 2.1529 2.3485 2.3551 2.4445 2.4712 2.9868 3.0075 3.3005 3.3176 3.7554 3.7860 3.9336 3.9563 4.1058 4.1138 4.2964 4.3261 8.0206 8.0249 8.5637 8.5732 8.7012 8.7209 9.2184 9.2372 k = 0.5000 0.3782 0.2448 ( 4952 PWs) bands (ev): -7.4095 -7.4066 -7.3527 -7.3509 -6.7861 -6.7846 -6.7662 -6.7643 -2.1413 -2.1213 -2.0920 -1.9846 -0.9190 -0.8133 -0.6432 -0.5583 -0.4249 -0.3144 -0.0999 0.0579 0.6997 0.7469 1.0837 1.1613 2.1553 2.1698 2.3501 2.3556 2.4383 2.4633 3.0328 3.0483 3.3073 3.3266 3.7401 3.7693 3.9205 3.9442 4.1048 4.1091 4.2829 4.3145 7.9995 8.0003 8.5023 8.5194 8.6401 8.6587 9.2086 9.2215 k = 0.5000 0.3782 0.2244 ( 4962 PWs) bands (ev): -7.4191 -7.4162 -7.3602 -7.3583 -6.7756 -6.7741 -6.7579 -6.7563 -2.1432 -2.1202 -2.0903 -1.9843 -0.9132 -0.8157 -0.6570 -0.5643 -0.4332 -0.3251 -0.1204 0.0399 0.7083 0.7549 1.1312 1.2087 2.1724 2.1846 2.3486 2.3524 2.4346 2.4571 3.0836 3.0956 3.3157 3.3375 3.7257 3.7532 3.9074 3.9321 4.1035 4.1056 4.2697 4.3024 7.9721 7.9749 8.4466 8.4712 8.5838 8.6012 9.1951 9.2028 k = 0.5000 0.3782 0.2040 ( 4964 PWs) bands (ev): -7.4280 -7.4253 -7.3671 -7.3654 -6.7657 -6.7642 -6.7501 -6.7486 -2.1449 -2.1206 -2.0862 -1.9842 -0.9063 -0.8174 -0.6708 -0.5715 -0.4418 -0.3392 -0.1361 0.0214 0.7157 0.7608 1.1778 1.2540 2.1872 2.1973 2.3436 2.3456 2.4335 2.4532 3.1374 3.1474 3.3261 3.3507 3.7122 3.7379 3.8943 3.9200 4.0998 4.1052 4.2565 4.2896 7.9415 7.9468 8.3978 8.4291 8.5324 8.5487 9.1758 9.1823 k = 0.5000 0.3782 0.1836 ( 4960 PWs) bands (ev): -7.4362 -7.4336 -7.3736 -7.3720 -6.7564 -6.7548 -6.7427 -6.7415 -2.1464 -2.1222 -2.0803 -1.9845 -0.8982 -0.8183 -0.6844 -0.5803 -0.4504 -0.3558 -0.1470 0.0029 0.7222 0.7648 1.2232 1.2968 2.1999 2.2082 2.3351 2.3361 2.4345 2.4515 3.1919 3.2012 3.3391 3.3671 3.6997 3.7234 3.8815 3.9079 4.0956 4.1057 4.2435 4.2759 7.9090 7.9157 8.3569 8.3934 8.4858 8.5010 9.1500 9.1608 k = 0.5000 0.3782 0.1632 ( 4964 PWs) bands (ev): -7.4436 -7.4413 -7.3795 -7.3780 -6.7478 -6.7463 -6.7358 -6.7348 -2.1476 -2.1245 -2.0733 -1.9853 -0.8889 -0.8183 -0.6978 -0.5913 -0.4586 -0.3738 -0.1537 -0.0153 0.7279 0.7673 1.2670 1.3368 2.2106 2.2175 2.3232 2.3255 2.4368 2.4514 3.2433 3.2531 3.3569 3.3885 3.6884 3.7097 3.8689 3.8960 4.0910 4.1063 4.2307 4.2612 7.8756 7.8826 8.3239 8.3637 8.4443 8.4584 9.1206 9.1364 k = 0.5000 0.3782 0.1428 ( 4964 PWs) bands (ev): -7.4503 -7.4481 -7.3849 -7.3835 -6.7401 -6.7386 -6.7296 -6.7287 -2.1485 -2.1272 -2.0656 -1.9865 -0.8783 -0.8172 -0.7109 -0.6049 -0.4661 -0.3916 -0.1569 -0.0329 0.7329 0.7684 1.3087 1.3734 2.2197 2.2254 2.3099 2.3137 2.4398 2.4523 3.2872 3.2963 3.3841 3.4180 3.6781 3.6970 3.8569 3.8843 4.0858 4.1067 4.2183 4.2453 7.8424 7.8489 8.2984 8.3394 8.4080 8.4208 9.0896 9.1093 k = 0.5000 0.3782 0.1224 ( 4956 PWs) bands (ev): -7.4561 -7.4542 -7.3896 -7.3884 -6.7334 -6.7319 -6.7239 -6.7231 -2.1489 -2.1299 -2.0575 -1.9882 -0.8665 -0.8152 -0.7236 -0.6211 -0.4722 -0.4084 -0.1575 -0.0496 0.7374 0.7685 1.3476 1.4061 2.2273 2.2320 2.2964 2.3012 2.4430 2.4537 3.3199 3.3255 3.4242 3.4571 3.6691 3.6853 3.8456 3.8731 4.0799 4.1065 4.2066 4.2286 7.8106 7.8160 8.2795 8.3195 8.3772 8.3886 9.0587 9.0806 k = 0.5000 0.3782 0.1020 ( 4968 PWs) bands (ev): -7.4610 -7.4594 -7.3936 -7.3926 -6.7276 -6.7262 -6.7189 -6.7182 -2.1490 -2.1327 -2.0494 -1.9906 -0.8536 -0.8119 -0.7356 -0.6399 -0.4767 -0.4234 -0.1559 -0.0653 0.7414 0.7678 1.3833 1.4344 2.2336 2.2374 2.2833 2.2888 2.4462 2.4552 3.3425 3.3443 3.4715 3.5026 3.6615 3.6747 3.8353 3.8625 4.0732 4.1049 4.1961 4.2118 7.7814 7.7855 8.2663 8.3028 8.3523 8.3617 9.0296 9.0519 k = 0.5000 0.3782 0.0816 ( 4952 PWs) bands (ev): -7.4651 -7.4638 -7.3970 -7.3961 -6.7228 -6.7217 -6.7146 -6.7141 -2.1487 -2.1354 -2.0413 -1.9936 -0.8399 -0.8071 -0.7469 -0.6607 -0.4793 -0.4365 -0.1526 -0.0798 0.7451 0.7665 1.4150 1.4575 2.2386 2.2417 2.2715 2.2771 2.4492 2.4565 3.3573 3.3586 3.5190 3.5489 3.6553 3.6654 3.8265 3.8525 4.0661 4.1009 4.1870 4.1962 7.7559 7.7587 8.2575 8.2883 8.3336 8.3403 9.0039 9.0246 k = 0.5000 0.3782 0.0612 ( 4956 PWs) bands (ev): -7.4682 -7.4672 -7.3995 -7.3989 -6.7191 -6.7182 -6.7111 -6.7108 -2.1481 -2.1379 -2.0335 -1.9973 -0.8262 -0.8006 -0.7569 -0.6827 -0.4800 -0.4478 -0.1478 -0.0932 0.7484 0.7647 1.4420 1.4750 2.2425 2.2451 2.2617 2.2669 2.4518 2.4573 3.3676 3.3696 3.5623 3.5904 3.6508 3.6575 3.8197 3.8433 4.0596 4.0936 4.1795 4.1836 7.7350 7.7366 8.2521 8.2755 8.3207 8.3244 8.9830 9.0005 k = 0.5000 0.3782 0.0408 ( 4968 PWs) bands (ev): -7.4704 -7.4697 -7.4014 -7.4010 -6.7164 -6.7158 -6.7086 -6.7083 -2.1471 -2.1402 -2.0260 -2.0017 -0.8138 -0.7927 -0.7639 -0.7049 -0.4789 -0.4574 -0.1418 -0.1053 0.7516 0.7625 1.4636 1.4862 2.2454 2.2474 2.2544 2.2587 2.4540 2.4577 3.3751 3.3770 3.5982 3.6225 3.6479 3.6514 3.8159 3.8347 4.0556 4.0831 4.1737 4.1754 7.7194 7.7203 8.2494 8.2647 8.3123 8.3138 8.9683 8.9809 k = 0.5000 0.3782 0.0204 ( 4962 PWs) bands (ev): -7.4716 -7.4713 -7.4025 -7.4022 -6.7148 -6.7145 -6.7070 -6.7069 -2.1458 -2.1424 -2.0191 -2.0069 -0.8036 -0.7898 -0.7611 -0.7265 -0.4760 -0.4652 -0.1345 -0.1163 0.7546 0.7601 1.4793 1.4907 2.2471 2.2490 2.2501 2.2532 2.4557 2.4576 3.3799 3.3810 3.6237 3.6404 3.6455 3.6492 3.8159 3.8267 4.0558 4.0712 4.1700 4.1711 7.7099 7.7103 8.2492 8.2567 8.3077 8.3080 8.9606 8.9672 k = 0.5000 0.3782 0.0000 ( 4968 PWs) bands (ev): -7.4719 -7.4719 -7.4027 -7.4027 -6.7141 -6.7141 -6.7064 -6.7064 -2.1442 -2.1442 -2.0126 -2.0126 -0.7952 -0.7952 -0.7462 -0.7462 -0.4714 -0.4714 -0.1260 -0.1260 0.7574 0.7574 1.4884 1.4884 2.2482 2.2482 2.2503 2.2503 2.4569 2.4569 3.3820 3.3820 3.6370 3.6370 3.6491 3.6491 3.8200 3.8200 4.0613 4.0613 4.1693 4.1693 7.7068 7.7068 8.2515 8.2515 8.3062 8.3062 8.9602 8.9602 k = 0.0000 0.0000 0.8288 ( 5000 PWs) bands (ev): -7.3041 -7.3041 -7.1174 -7.1174 -6.9748 -6.9748 -6.8699 -6.8699 -2.0200 -2.0200 -2.0028 -2.0028 -0.6330 -0.6330 -0.6171 -0.6171 -0.4512 -0.4512 -0.2616 -0.2616 0.0053 0.0053 0.4573 0.4573 1.8120 1.8120 2.3007 2.3007 2.4274 2.4274 3.5668 3.5668 3.6359 3.6359 4.1532 4.1532 4.2267 4.2267 4.4922 4.4922 4.6025 4.6025 7.4740 7.4740 8.6905 8.6905 9.6188 9.6188 9.9862 9.9862 k = 0.0156 0.0118 0.8288 ( 4992 PWs) bands (ev): -7.3041 -7.3040 -7.1178 -7.1171 -6.9748 -6.9748 -6.8702 -6.8695 -2.0212 -2.0190 -2.0035 -2.0019 -0.6415 -0.6316 -0.6188 -0.6056 -0.4552 -0.4476 -0.2639 -0.2592 0.0040 0.0087 0.4523 0.4555 1.8033 1.8081 2.3042 2.3047 2.4322 2.4374 3.5658 3.5664 3.6352 3.6358 4.1527 4.1531 4.2258 4.2272 4.4896 4.4913 4.6006 4.6009 7.4760 7.4761 8.6922 8.6924 9.6172 9.6178 9.9864 9.9867 k = 0.0312 0.0236 0.8288 ( 4988 PWs) bands (ev): -7.3040 -7.3040 -7.1181 -7.1167 -6.9750 -6.9749 -6.8706 -6.8692 -2.0225 -2.0180 -2.0042 -2.0010 -0.6533 -0.6317 -0.6144 -0.5900 -0.4594 -0.4444 -0.2662 -0.2566 0.0047 0.0140 0.4407 0.4470 1.7833 1.7923 2.3151 2.3163 2.4513 2.4610 3.5635 3.5647 3.6335 3.6347 4.1515 4.1524 4.2243 4.2272 4.4836 4.4870 4.5952 4.5957 7.4820 7.4823 8.6972 8.6976 9.6130 9.6144 9.9872 9.9879 k = 0.0469 0.0355 0.8288 ( 4990 PWs) bands (ev): -7.3038 -7.3038 -7.1184 -7.1163 -6.9752 -6.9751 -6.8710 -6.8689 -2.0239 -2.0173 -2.0049 -2.0001 -0.6649 -0.6310 -0.6075 -0.5726 -0.4637 -0.4416 -0.2684 -0.2535 0.0074 0.0211 0.4227 0.4322 1.7546 1.7670 2.3329 2.3350 2.4824 2.4955 3.5598 3.5617 3.6309 3.6326 4.1498 4.1511 4.2224 4.2269 4.4744 4.4796 4.5865 4.5872 7.4920 7.4924 8.7055 8.7060 9.6064 9.6084 9.9887 9.9897 k = 0.0625 0.0473 0.8288 ( 4984 PWs) bands (ev): -7.3037 -7.3036 -7.1187 -7.1160 -6.9754 -6.9753 -6.8714 -6.8686 -2.0253 -2.0167 -2.0055 -1.9991 -0.6758 -0.6293 -0.5989 -0.5541 -0.4677 -0.4393 -0.2705 -0.2499 0.0117 0.0299 0.3990 0.4115 1.7198 1.7348 2.3571 2.3601 2.5226 2.5381 3.5547 3.5573 3.6273 3.6295 4.1475 4.1491 4.2199 4.2263 4.4622 4.4694 4.5749 4.5758 7.5054 7.5059 8.7167 8.7175 9.5973 9.6000 9.9907 9.9921 k = 0.0781 0.0591 0.8288 ( 4968 PWs) bands (ev): -7.3034 -7.3034 -7.1189 -7.1156 -6.9757 -6.9756 -6.8718 -6.8684 -2.0267 -2.0162 -2.0060 -1.9980 -0.6858 -0.6267 -0.5887 -0.5355 -0.4705 -0.4374 -0.2725 -0.2453 0.0176 0.0399 0.3703 0.3858 1.6816 1.6985 2.3867 2.3907 2.5691 2.5864 3.5482 3.5514 3.6225 3.6253 4.1446 4.1465 4.2169 4.2256 4.4473 4.4568 4.5609 4.5620 7.5218 7.5224 8.7306 8.7315 9.5859 9.5893 9.9932 9.9950 k = 0.0938 0.0709 0.8288 ( 4986 PWs) bands (ev): -7.3032 -7.3031 -7.1191 -7.1152 -6.9761 -6.9759 -6.8722 -6.8682 -2.0281 -2.0159 -2.0066 -1.9970 -0.6949 -0.6231 -0.5773 -0.5192 -0.4697 -0.4361 -0.2742 -0.2395 0.0245 0.0508 0.3374 0.3559 1.6419 1.6602 2.4208 2.4257 2.6198 2.6382 3.5403 3.5442 3.6165 3.6198 4.1410 4.1432 4.2132 4.2248 4.4302 4.4422 4.5453 4.5465 7.5407 7.5414 8.7466 8.7477 9.5724 9.5765 9.9960 9.9982 k = 0.1094 0.0827 0.8288 ( 4980 PWs) bands (ev): -7.3029 -7.3028 -7.1193 -7.1149 -6.9765 -6.9762 -6.8726 -6.8680 -2.0294 -2.0157 -2.0071 -1.9960 -0.7031 -0.6187 -0.5649 -0.5102 -0.4604 -0.4353 -0.2754 -0.2322 0.0321 0.0623 0.3014 0.3226 1.6022 1.6216 2.4584 2.4641 2.6727 2.6919 3.5308 3.5354 3.6091 3.6129 4.1369 4.1392 4.2090 4.2240 4.4114 4.4265 4.5286 4.5300 7.5613 7.5621 8.7643 8.7655 9.5571 9.5620 9.9990 10.0017 k = 0.1250 0.0946 0.8288 ( 4980 PWs) bands (ev): -7.3026 -7.3025 -7.1195 -7.1145 -6.9769 -6.9766 -6.8729 -6.8678 -2.0306 -2.0155 -2.0076 -1.9950 -0.7105 -0.6138 -0.5519 -0.5095 -0.4417 -0.4351 -0.2758 -0.2230 0.0397 0.0738 0.2631 0.2869 1.5638 1.5840 2.4981 2.5046 2.7263 2.7462 3.5200 3.5253 3.6003 3.6045 4.1324 4.1346 4.2043 4.2235 4.3915 4.4102 4.5116 4.5133 7.5830 7.5838 8.7830 8.7843 9.5406 9.5462 10.0021 10.0053 k = 0.1406 0.1064 0.8288 ( 4976 PWs) bands (ev): -7.3023 -7.3022 -7.1197 -7.1142 -6.9772 -6.9770 -6.8732 -6.8676 -2.0317 -2.0155 -2.0080 -1.9941 -0.7169 -0.6083 -0.5386 -0.5130 -0.4354 -0.4181 -0.2750 -0.2116 0.0463 0.0845 0.2241 0.2500 1.5277 1.5484 2.5387 2.5459 2.7794 2.7998 3.5079 3.5139 3.5902 3.5946 4.1274 4.1296 4.1991 4.2234 4.3709 4.3941 4.4951 4.4969 7.6048 7.6058 8.8019 8.8034 9.5234 9.5297 10.0051 10.0088 k = 0.1562 0.1182 0.8288 ( 4968 PWs) bands (ev): -7.3021 -7.3020 -7.1198 -7.1139 -6.9776 -6.9773 -6.8735 -6.8675 -2.0327 -2.0154 -2.0084 -1.9933 -0.7225 -0.6024 -0.5255 -0.5183 -0.4363 -0.3929 -0.2722 -0.1977 0.0502 0.0932 0.1862 0.2135 1.4946 1.5157 2.5789 2.5866 2.8306 2.8515 3.4947 3.5016 3.5787 3.5833 4.1223 4.1242 4.1935 4.2240 4.3505 4.3790 4.4796 4.4817 7.6261 7.6270 8.8205 8.8221 9.5062 9.5132 10.0079 10.0122 k = 0.1719 0.1300 0.8288 ( 4974 PWs) bands (ev): -7.3018 -7.3017 -7.1199 -7.1137 -6.9780 -6.9777 -6.8738 -6.8674 -2.0336 -2.0154 -2.0088 -1.9926 -0.7272 -0.5963 -0.5242 -0.5129 -0.4378 -0.3688 -0.2658 -0.1810 0.0479 0.0970 0.1534 0.1806 1.4654 1.4867 2.6170 2.6252 2.8786 2.8999 3.4811 3.4888 3.5664 3.5709 4.1173 4.1188 4.1879 4.2254 4.3306 4.3653 4.4658 4.4681 7.6459 7.6469 8.8379 8.8396 9.4898 9.4975 10.0104 10.0152 k = 0.1875 0.1418 0.8288 ( 4972 PWs) bands (ev): -7.3016 -7.3015 -7.1200 -7.1135 -6.9783 -6.9780 -6.8740 -6.8673 -2.0343 -2.0155 -2.0091 -1.9920 -0.7310 -0.5900 -0.5305 -0.5013 -0.4399 -0.3487 -0.2536 -0.1615 0.0340 0.0891 0.1316 0.1584 1.4405 1.4621 2.6517 2.6603 2.9219 2.9436 3.4677 3.4762 3.5537 3.5580 4.1125 4.1137 4.1824 4.2278 4.3118 4.3536 4.4540 4.4565 7.6634 7.6644 8.8534 8.8552 9.4750 9.4832 10.0126 10.0177 k = 0.2031 0.1537 0.8288 ( 4968 PWs) bands (ev): -7.3014 -7.3013 -7.1201 -7.1133 -6.9785 -6.9782 -6.8742 -6.8672 -2.0349 -2.0155 -2.0093 -1.9915 -0.7340 -0.5838 -0.5368 -0.4910 -0.4425 -0.3349 -0.2340 -0.1395 0.0073 0.0658 0.1222 0.1513 1.4205 1.4422 2.6811 2.6900 2.9587 2.9807 3.4553 3.4648 3.5417 3.5456 4.1084 4.1092 4.1775 4.2316 4.2945 4.3444 4.4445 4.4473 7.6779 7.6789 8.8663 8.8682 9.4626 9.4713 10.0143 10.0197 k = 0.2188 0.1655 0.8288 ( 4972 PWs) bands (ev): -7.3013 -7.3011 -7.1201 -7.1132 -6.9787 -6.9784 -6.8744 -6.8672 -2.0353 -2.0155 -2.0095 -1.9911 -0.7362 -0.5778 -0.5428 -0.4825 -0.4454 -0.3271 -0.2088 -0.1159 -0.0251 0.0359 0.1199 0.1515 1.4060 1.4277 2.7036 2.7128 2.9872 3.0094 3.4453 3.4555 3.5316 3.5349 4.1052 4.1057 4.1736 4.2369 4.2792 4.3377 4.4377 4.4407 7.6888 7.6898 8.8761 8.8779 9.4532 9.4622 10.0155 10.0212 k = 0.2344 0.1773 0.8288 ( 4976 PWs) bands (ev): -7.3012 -7.3010 -7.1202 -7.1131 -6.9788 -6.9785 -6.8744 -6.8672 -2.0356 -2.0155 -2.0096 -1.9909 -0.7374 -0.5728 -0.5478 -0.4763 -0.4481 -0.3233 -0.1839 -0.0934 -0.0546 0.0083 0.1198 0.1530 1.3971 1.4189 2.7178 2.7272 3.0053 3.0277 3.4386 3.4495 3.5247 3.5276 4.1032 4.1034 4.1712 4.2436 4.2663 4.3336 4.4336 4.4367 7.6955 7.6965 8.8821 8.8840 9.4473 9.4565 10.0162 10.0221 k = 0.2500 0.1891 0.8288 ( 4960 PWs) bands (ev): -7.3011 -7.3010 -7.1202 -7.1131 -6.9789 -6.9785 -6.8745 -6.8672 -2.0357 -2.0155 -2.0097 -1.9909 -0.7379 -0.5706 -0.5500 -0.4740 -0.4494 -0.3222 -0.1718 -0.0822 -0.0684 -0.0048 0.1200 0.1536 1.3941 1.4159 2.7227 2.7321 3.0116 3.0340 3.4362 3.4473 3.5223 3.5250 4.1025 4.1027 4.1703 4.2491 4.2587 4.3323 4.4322 4.4354 7.6978 7.6988 8.8841 8.8860 9.4453 9.4546 10.0164 10.0224 Writing output data file Al2HgS4.save init_run : 2.92s CPU 13.13s WALL ( 1 calls) electrons : 1139.24s CPU 1150.33s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.43s CPU 1.55s WALL ( 1 calls) Called by electrons: c_bands : 1139.14s CPU 1149.89s WALL ( 1 calls) v_of_rho : 0.17s CPU 0.93s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.16s CPU 0.65s WALL ( 1 calls) newd : 1.02s CPU 1.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 286 calls) cegterg : 1086.35s CPU 1094.24s WALL ( 624 calls) Called by sum_band: Called by *egterg: h_psi : 664.35s CPU 674.41s WALL ( 11784 calls) s_psi : 70.57s CPU 70.78s WALL ( 11784 calls) g_psi : 0.99s CPU 1.05s WALL ( 10874 calls) cdiaghg : 249.45s CPU 247.02s WALL ( 11160 calls) cegterg:over : 76.96s CPU 75.20s WALL ( 10874 calls) cegterg:upda : 15.52s CPU 18.78s WALL ( 10874 calls) cegterg:last : 14.12s CPU 15.05s WALL ( 2371 calls) Called by h_psi: h_psi:vloc : 536.05s CPU 543.61s WALL ( 11784 calls) h_psi:vnl : 127.96s CPU 129.75s WALL ( 11784 calls) add_vuspsi : 50.29s CPU 54.10s WALL ( 11784 calls) General routines calbec : 77.61s CPU 75.52s WALL ( 11784 calls) fft : 0.37s CPU 1.43s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 498.10s CPU 503.41s WALL ( 1473220 calls) interpolate : 0.06s CPU 0.15s WALL ( 4 calls) davcio : 0.03s CPU 1.01s WALL ( 572 calls) Parallel routines fft_scatter : 286.85s CPU 287.43s WALL ( 1473243 calls) PWSCF : 19m51.69s CPU 21m 6.88s WALL This run was terminated on: 21:49: 9 23Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=