Program PWSCF v.5.1.1 starts on 23Oct2015 at 23:29:44 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: ./Al2HgSe4.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 106 44 12 3521 924 140 Max 107 45 13 3524 952 142 Sum 5129 2129 595 169093 45059 6759 bravais-lattice index = 14 lattice parameter (alat) = 12.6946 a.u. unit-cell volume = 1180.6977 (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)= 12.694618 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.639009 celldm(5)= -0.639009 celldm(6)= 0.278018 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.278018 0.960576 0.000000 ) a(3) = ( -0.639009 -0.480288 0.600825 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.289429 0.832189 ) b(2) = ( 0.000000 1.041042 0.832189 ) b(3) = ( 0.000000 0.000000 1.664377 ) PseudoPot. # 1 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. # 2 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) Se 6.00 78.96000 Se( 1.00) Al 3.00 26.98150 Al( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 274 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0000000 0.0000000 0.0213382), wk = 0.0036496 k( 3) = ( 0.0000000 0.0000000 0.0426764), wk = 0.0036496 k( 4) = ( 0.0000000 0.0000000 0.0640145), wk = 0.0036496 k( 5) = ( 0.0000000 0.0000000 0.0853527), wk = 0.0036496 k( 6) = ( 0.0000000 0.0000000 0.1066909), wk = 0.0036496 k( 7) = ( 0.0000000 0.0000000 0.1280290), wk = 0.0036496 k( 8) = ( 0.0000000 0.0000000 0.1493672), wk = 0.0036496 k( 9) = ( 0.0000000 0.0000000 0.1707054), wk = 0.0036496 k( 10) = ( 0.0000000 0.0000000 0.1920436), wk = 0.0036496 k( 11) = ( 0.0000000 0.0000000 0.2133817), wk = 0.0036496 k( 12) = ( 0.0000000 0.0000000 0.2347199), wk = 0.0036496 k( 13) = ( 0.0000000 0.0000000 0.2560581), wk = 0.0036496 k( 14) = ( 0.0000000 0.0000000 0.2773962), wk = 0.0036496 k( 15) = ( 0.0000000 0.0000000 0.2987344), wk = 0.0036496 k( 16) = ( 0.0000000 0.0000000 0.3200726), wk = 0.0036496 k( 17) = ( 0.0000000 0.0000000 0.3414108), wk = 0.0036496 k( 18) = ( 0.0000000 0.0000000 0.3627489), wk = 0.0036496 k( 19) = ( 0.0000000 0.0000000 0.3840871), wk = 0.0036496 k( 20) = ( 0.0000000 0.0000000 0.4054253), wk = 0.0036496 k( 21) = ( 0.0000000 0.0000000 0.4267635), wk = 0.0036496 k( 22) = ( 0.0000000 0.0000000 0.4481016), wk = 0.0036496 k( 23) = ( 0.0000000 0.0000000 0.4694398), wk = 0.0036496 k( 24) = ( 0.0000000 0.0000000 0.4907780), wk = 0.0036496 k( 25) = ( 0.0000000 0.0000000 0.5121161), wk = 0.0036496 k( 26) = ( 0.0000000 0.0000000 0.5334543), wk = 0.0036496 k( 27) = ( 0.0000000 0.0000000 0.5547925), wk = 0.0036496 k( 28) = ( 0.0000000 0.0000000 0.5761307), wk = 0.0036496 k( 29) = ( 0.0000000 0.0000000 0.5974688), wk = 0.0036496 k( 30) = ( 0.0000000 0.0000000 0.6188070), wk = 0.0036496 k( 31) = ( 0.0000000 0.0000000 0.6401452), wk = 0.0036496 k( 32) = ( 0.0000000 0.0000000 0.6614834), wk = 0.0036496 k( 33) = ( 0.0000000 0.0000000 0.6828215), wk = 0.0036496 k( 34) = ( 0.0000000 0.0000000 0.7041597), wk = 0.0036496 k( 35) = ( 0.0000000 0.0000000 0.7254979), wk = 0.0036496 k( 36) = ( 0.0000000 0.0000000 0.7468360), wk = 0.0036496 k( 37) = ( 0.0000000 0.0000000 0.7681742), wk = 0.0036496 k( 38) = ( 0.0000000 0.0000000 0.7895124), wk = 0.0036496 k( 39) = ( 0.0000000 0.0000000 0.8108506), wk = 0.0036496 k( 40) = ( 0.0000000 0.0000000 0.8321887), wk = 0.0036496 k( 41) = ( 0.0000000 0.0000000 0.8321887), wk = 0.0036496 k( 42) = ( -0.0128392 0.0170821 0.8321887), wk = 0.0036496 k( 43) = ( -0.0256783 0.0341643 0.8321887), wk = 0.0036496 k( 44) = ( -0.0385175 0.0512464 0.8321887), wk = 0.0036496 k( 45) = ( -0.0513566 0.0683285 0.8321887), wk = 0.0036496 k( 46) = ( -0.0641958 0.0854106 0.8321887), wk = 0.0036496 k( 47) = ( -0.0770350 0.1024928 0.8321887), wk = 0.0036496 k( 48) = ( -0.0898741 0.1195749 0.8321887), wk = 0.0036496 k( 49) = ( -0.1027133 0.1366570 0.8321887), wk = 0.0036496 k( 50) = ( -0.1155525 0.1537392 0.8321887), wk = 0.0036496 k( 51) = ( -0.1283916 0.1708213 0.8321887), wk = 0.0036496 k( 52) = ( -0.1412308 0.1879034 0.8321887), wk = 0.0036496 k( 53) = ( -0.1412308 0.1879034 0.8321887), wk = 0.0036496 k( 54) = ( -0.1502000 0.1998367 0.8172605), wk = 0.0036496 k( 55) = ( -0.1591692 0.2117700 0.8023324), wk = 0.0036496 k( 56) = ( -0.1681385 0.2237033 0.7874042), wk = 0.0036496 k( 57) = ( -0.1771077 0.2356366 0.7724760), wk = 0.0036496 k( 58) = ( -0.1860769 0.2475699 0.7575478), wk = 0.0036496 k( 59) = ( -0.1950462 0.2595032 0.7426196), wk = 0.0036496 k( 60) = ( -0.2040154 0.2714365 0.7276914), wk = 0.0036496 k( 61) = ( -0.2129846 0.2833698 0.7127633), wk = 0.0036496 k( 62) = ( -0.2219539 0.2953031 0.6978351), wk = 0.0036496 k( 63) = ( -0.2309231 0.3072364 0.6829069), wk = 0.0036496 k( 64) = ( -0.2398923 0.3191697 0.6679787), wk = 0.0036496 k( 65) = ( -0.2488615 0.3311030 0.6530505), wk = 0.0036496 k( 66) = ( -0.2578308 0.3430363 0.6381223), wk = 0.0036496 k( 67) = ( -0.2668000 0.3549696 0.6231941), wk = 0.0036496 k( 68) = ( -0.2757692 0.3669029 0.6082659), wk = 0.0036496 k( 69) = ( -0.2847385 0.3788362 0.5933378), wk = 0.0036496 k( 70) = ( -0.2937077 0.3907695 0.5784096), wk = 0.0036496 k( 71) = ( -0.3026769 0.4027028 0.5634814), wk = 0.0036496 k( 72) = ( -0.3116462 0.4146361 0.5485532), wk = 0.0036496 k( 73) = ( -0.3206154 0.4265694 0.5336250), wk = 0.0036496 k( 74) = ( -0.3206154 0.4265694 0.5336250), wk = 0.0036496 k( 75) = ( -0.3117094 0.4147202 0.5188021), wk = 0.0036496 k( 76) = ( -0.3028034 0.4028711 0.5039792), wk = 0.0036496 k( 77) = ( -0.2938974 0.3910219 0.4891563), wk = 0.0036496 k( 78) = ( -0.2849915 0.3791728 0.4743334), wk = 0.0036496 k( 79) = ( -0.2760855 0.3673236 0.4595104), wk = 0.0036496 k( 80) = ( -0.2671795 0.3554745 0.4446875), wk = 0.0036496 k( 81) = ( -0.2582735 0.3436253 0.4298646), wk = 0.0036496 k( 82) = ( -0.2493675 0.3317762 0.4150417), wk = 0.0036496 k( 83) = ( -0.2404615 0.3199270 0.4002188), wk = 0.0036496 k( 84) = ( -0.2315556 0.3080779 0.3853959), wk = 0.0036496 k( 85) = ( -0.2226496 0.2962287 0.3705729), wk = 0.0036496 k( 86) = ( -0.2137436 0.2843796 0.3557500), wk = 0.0036496 k( 87) = ( -0.2048376 0.2725304 0.3409271), wk = 0.0036496 k( 88) = ( -0.1959316 0.2606813 0.3261042), wk = 0.0036496 k( 89) = ( -0.1870256 0.2488321 0.3112813), wk = 0.0036496 k( 90) = ( -0.1781197 0.2369830 0.2964583), wk = 0.0036496 k( 91) = ( -0.1692137 0.2251338 0.2816354), wk = 0.0036496 k( 92) = ( -0.1603077 0.2132847 0.2668125), wk = 0.0036496 k( 93) = ( -0.1514017 0.2014355 0.2519896), wk = 0.0036496 k( 94) = ( -0.1424957 0.1895864 0.2371667), wk = 0.0036496 k( 95) = ( -0.1335898 0.1777372 0.2223438), wk = 0.0036496 k( 96) = ( -0.1246838 0.1658881 0.2075208), wk = 0.0036496 k( 97) = ( -0.1157778 0.1540389 0.1926979), wk = 0.0036496 k( 98) = ( -0.1068718 0.1421898 0.1778750), wk = 0.0036496 k( 99) = ( -0.0979658 0.1303406 0.1630521), wk = 0.0036496 k( 100) = ( -0.0890598 0.1184915 0.1482292), wk = 0.0036496 k( 101) = ( -0.0801538 0.1066423 0.1334063), wk = 0.0036496 k( 102) = ( -0.0712479 0.0947932 0.1185833), wk = 0.0036496 k( 103) = ( -0.0623419 0.0829440 0.1037604), wk = 0.0036496 k( 104) = ( -0.0534359 0.0710949 0.0889375), wk = 0.0036496 k( 105) = ( -0.0445299 0.0592458 0.0741146), wk = 0.0036496 k( 106) = ( -0.0356239 0.0473966 0.0592917), wk = 0.0036496 k( 107) = ( -0.0267180 0.0355474 0.0444688), wk = 0.0036496 k( 108) = ( -0.0178120 0.0236983 0.0296458), wk = 0.0036496 k( 109) = ( -0.0089060 0.0118491 0.0148229), wk = 0.0036496 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 112) = ( 0.0166667 0.0125269 -0.0000000), wk = 0.0036496 k( 113) = ( 0.0333333 0.0250538 -0.0000000), wk = 0.0036496 k( 114) = ( 0.0500000 0.0375807 -0.0000000), wk = 0.0036496 k( 115) = ( 0.0666667 0.0501076 -0.0000000), wk = 0.0036496 k( 116) = ( 0.0833333 0.0626345 -0.0000000), wk = 0.0036496 k( 117) = ( 0.1000000 0.0751614 -0.0000000), wk = 0.0036496 k( 118) = ( 0.1166667 0.0876883 -0.0000000), wk = 0.0036496 k( 119) = ( 0.1333333 0.1002152 -0.0000000), wk = 0.0036496 k( 120) = ( 0.1500000 0.1127421 -0.0000000), wk = 0.0036496 k( 121) = ( 0.1666667 0.1252690 -0.0000000), wk = 0.0036496 k( 122) = ( 0.1833333 0.1377958 -0.0000000), wk = 0.0036496 k( 123) = ( 0.2000000 0.1503227 -0.0000000), wk = 0.0036496 k( 124) = ( 0.2166667 0.1628496 -0.0000000), wk = 0.0036496 k( 125) = ( 0.2333333 0.1753765 -0.0000000), wk = 0.0036496 k( 126) = ( 0.2500000 0.1879034 -0.0000000), wk = 0.0036496 k( 127) = ( 0.2666667 0.2004303 -0.0000000), wk = 0.0036496 k( 128) = ( 0.2833333 0.2129572 -0.0000000), wk = 0.0036496 k( 129) = ( 0.3000000 0.2254841 -0.0000000), wk = 0.0036496 k( 130) = ( 0.3166667 0.2380110 -0.0000000), wk = 0.0036496 k( 131) = ( 0.3333333 0.2505379 -0.0000000), wk = 0.0036496 k( 132) = ( 0.3500000 0.2630648 -0.0000000), wk = 0.0036496 k( 133) = ( 0.3666667 0.2755917 -0.0000000), wk = 0.0036496 k( 134) = ( 0.3833333 0.2881186 -0.0000000), wk = 0.0036496 k( 135) = ( 0.4000000 0.3006455 -0.0000000), wk = 0.0036496 k( 136) = ( 0.4166667 0.3131724 -0.0000000), wk = 0.0036496 k( 137) = ( 0.4333333 0.3256993 -0.0000000), wk = 0.0036496 k( 138) = ( 0.4500000 0.3382262 -0.0000000), wk = 0.0036496 k( 139) = ( 0.4666667 0.3507531 -0.0000000), wk = 0.0036496 k( 140) = ( 0.4833333 0.3632799 -0.0000000), wk = 0.0036496 k( 141) = ( 0.5000000 0.3758068 -0.0000000), wk = 0.0036496 k( 142) = ( 0.5000000 0.3758068 -0.0000000), wk = 0.0036496 k( 143) = ( 0.4910308 0.3877401 0.0149282), wk = 0.0036496 k( 144) = ( 0.4820615 0.3996734 0.0298564), wk = 0.0036496 k( 145) = ( 0.4730923 0.4116067 0.0447846), wk = 0.0036496 k( 146) = ( 0.4641231 0.4235400 0.0597127), wk = 0.0036496 k( 147) = ( 0.4551539 0.4354733 0.0746409), wk = 0.0036496 k( 148) = ( 0.4461846 0.4474066 0.0895691), wk = 0.0036496 k( 149) = ( 0.4372154 0.4593399 0.1044973), wk = 0.0036496 k( 150) = ( 0.4282462 0.4712732 0.1194255), wk = 0.0036496 k( 151) = ( 0.4192769 0.4832065 0.1343537), wk = 0.0036496 k( 152) = ( 0.4103077 0.4951398 0.1492818), wk = 0.0036496 k( 153) = ( 0.4013385 0.5070731 0.1642100), wk = 0.0036496 k( 154) = ( 0.3923692 0.5190064 0.1791382), wk = 0.0036496 k( 155) = ( 0.3834000 0.5309397 0.1940664), wk = 0.0036496 k( 156) = ( 0.3744308 0.5428730 0.2089946), wk = 0.0036496 k( 157) = ( 0.3654615 0.5548063 0.2239228), wk = 0.0036496 k( 158) = ( 0.3564923 0.5667396 0.2388510), wk = 0.0036496 k( 159) = ( 0.3475231 0.5786729 0.2537791), wk = 0.0036496 k( 160) = ( 0.3385538 0.5906062 0.2687073), wk = 0.0036496 k( 161) = ( 0.3295846 0.6025395 0.2836355), wk = 0.0036496 k( 162) = ( 0.3206154 0.6144728 0.2985637), wk = 0.0036496 k( 163) = ( 0.3206154 0.6144728 0.2985637), wk = 0.0036496 k( 164) = ( 0.3017557 0.6089462 0.3054773), wk = 0.0036496 k( 165) = ( 0.2828959 0.6034197 0.3123908), wk = 0.0036496 k( 166) = ( 0.2640362 0.5978931 0.3193044), wk = 0.0036496 k( 167) = ( 0.2451765 0.5923665 0.3262180), wk = 0.0036496 k( 168) = ( 0.2263168 0.5868400 0.3331315), wk = 0.0036496 k( 169) = ( 0.2074570 0.5813134 0.3400451), wk = 0.0036496 k( 170) = ( 0.1885973 0.5757868 0.3469587), wk = 0.0036496 k( 171) = ( 0.1697376 0.5702602 0.3538722), wk = 0.0036496 k( 172) = ( 0.1508778 0.5647337 0.3607858), wk = 0.0036496 k( 173) = ( 0.1320181 0.5592071 0.3676994), wk = 0.0036496 k( 174) = ( 0.1131584 0.5536805 0.3746130), wk = 0.0036496 k( 175) = ( 0.0942986 0.5481540 0.3815265), wk = 0.0036496 k( 176) = ( 0.0754389 0.5426274 0.3884401), wk = 0.0036496 k( 177) = ( 0.0565792 0.5371008 0.3953537), wk = 0.0036496 k( 178) = ( 0.0377195 0.5315742 0.4022672), wk = 0.0036496 k( 179) = ( 0.0188597 0.5260477 0.4091808), wk = 0.0036496 k( 180) = ( 0.0000000 0.5205211 0.4160944), wk = 0.0036496 k( 181) = ( 0.0000000 0.5205211 0.4160944), wk = 0.0036496 k( 182) = ( 0.0089286 0.5086419 0.4309549), wk = 0.0036496 k( 183) = ( 0.0178571 0.4967627 0.4458154), wk = 0.0036496 k( 184) = ( 0.0267857 0.4848835 0.4606759), wk = 0.0036496 k( 185) = ( 0.0357143 0.4730043 0.4755364), wk = 0.0036496 k( 186) = ( 0.0446429 0.4611251 0.4903969), wk = 0.0036496 k( 187) = ( 0.0535714 0.4492459 0.5052574), wk = 0.0036496 k( 188) = ( 0.0625000 0.4373667 0.5201180), wk = 0.0036496 k( 189) = ( 0.0714286 0.4254875 0.5349785), wk = 0.0036496 k( 190) = ( 0.0803571 0.4136083 0.5498390), wk = 0.0036496 k( 191) = ( 0.0892857 0.4017291 0.5646995), wk = 0.0036496 k( 192) = ( 0.0982143 0.3898499 0.5795600), wk = 0.0036496 k( 193) = ( 0.1071429 0.3779707 0.5944205), wk = 0.0036496 k( 194) = ( 0.1160714 0.3660915 0.6092810), wk = 0.0036496 k( 195) = ( 0.1250000 0.3542123 0.6241415), wk = 0.0036496 k( 196) = ( 0.1339286 0.3423331 0.6390021), wk = 0.0036496 k( 197) = ( 0.1428571 0.3304539 0.6538626), wk = 0.0036496 k( 198) = ( 0.1517857 0.3185747 0.6687231), wk = 0.0036496 k( 199) = ( 0.1607143 0.3066954 0.6835836), wk = 0.0036496 k( 200) = ( 0.1696429 0.2948162 0.6984441), wk = 0.0036496 k( 201) = ( 0.1785714 0.2829370 0.7133046), wk = 0.0036496 k( 202) = ( 0.1875000 0.2710578 0.7281651), wk = 0.0036496 k( 203) = ( 0.1964286 0.2591786 0.7430256), wk = 0.0036496 k( 204) = ( 0.2053571 0.2472994 0.7578862), wk = 0.0036496 k( 205) = ( 0.2142857 0.2354202 0.7727467), wk = 0.0036496 k( 206) = ( 0.2232143 0.2235410 0.7876072), wk = 0.0036496 k( 207) = ( 0.2321429 0.2116618 0.8024677), wk = 0.0036496 k( 208) = ( 0.2410714 0.1997826 0.8173282), wk = 0.0036496 k( 209) = ( 0.2500000 0.1879034 0.8321887), wk = 0.0036496 k( 210) = ( 0.2500000 0.1879034 0.8321887), wk = 0.0036496 k( 211) = ( 0.2631579 0.1977931 0.8198171), wk = 0.0036496 k( 212) = ( 0.2763158 0.2076827 0.8074454), wk = 0.0036496 k( 213) = ( 0.2894737 0.2175724 0.7950738), wk = 0.0036496 k( 214) = ( 0.3026316 0.2274620 0.7827021), wk = 0.0036496 k( 215) = ( 0.3157895 0.2373517 0.7703305), wk = 0.0036496 k( 216) = ( 0.3289474 0.2472413 0.7579588), wk = 0.0036496 k( 217) = ( 0.3421053 0.2571310 0.7455872), wk = 0.0036496 k( 218) = ( 0.3552632 0.2670207 0.7332155), wk = 0.0036496 k( 219) = ( 0.3684211 0.2769103 0.7208439), wk = 0.0036496 k( 220) = ( 0.3815789 0.2868000 0.7084722), wk = 0.0036496 k( 221) = ( 0.3947368 0.2966896 0.6961006), wk = 0.0036496 k( 222) = ( 0.4078947 0.3065793 0.6837289), wk = 0.0036496 k( 223) = ( 0.4210526 0.3164689 0.6713573), wk = 0.0036496 k( 224) = ( 0.4342105 0.3263586 0.6589857), wk = 0.0036496 k( 225) = ( 0.4473684 0.3362482 0.6466140), wk = 0.0036496 k( 226) = ( 0.4605263 0.3461379 0.6342424), wk = 0.0036496 k( 227) = ( 0.4736842 0.3560275 0.6218707), wk = 0.0036496 k( 228) = ( 0.4868421 0.3659172 0.6094991), wk = 0.0036496 k( 229) = ( 0.5000000 0.3758068 0.5971274), wk = 0.0036496 k( 230) = ( 0.5000000 0.3758068 0.5971274), wk = 0.0036496 k( 231) = ( 0.5000000 0.3758068 0.5758014), wk = 0.0036496 k( 232) = ( 0.5000000 0.3758068 0.5544754), wk = 0.0036496 k( 233) = ( 0.5000000 0.3758068 0.5331495), wk = 0.0036496 k( 234) = ( 0.5000000 0.3758068 0.5118235), wk = 0.0036496 k( 235) = ( 0.5000000 0.3758068 0.4904975), wk = 0.0036496 k( 236) = ( 0.5000000 0.3758068 0.4691715), wk = 0.0036496 k( 237) = ( 0.5000000 0.3758068 0.4478455), wk = 0.0036496 k( 238) = ( 0.5000000 0.3758068 0.4265196), wk = 0.0036496 k( 239) = ( 0.5000000 0.3758068 0.4051936), wk = 0.0036496 k( 240) = ( 0.5000000 0.3758068 0.3838676), wk = 0.0036496 k( 241) = ( 0.5000000 0.3758068 0.3625416), wk = 0.0036496 k( 242) = ( 0.5000000 0.3758068 0.3412157), wk = 0.0036496 k( 243) = ( 0.5000000 0.3758068 0.3198897), wk = 0.0036496 k( 244) = ( 0.5000000 0.3758068 0.2985637), wk = 0.0036496 k( 245) = ( 0.5000000 0.3758068 0.2772377), wk = 0.0036496 k( 246) = ( 0.5000000 0.3758068 0.2559117), wk = 0.0036496 k( 247) = ( 0.5000000 0.3758068 0.2345858), wk = 0.0036496 k( 248) = ( 0.5000000 0.3758068 0.2132598), wk = 0.0036496 k( 249) = ( 0.5000000 0.3758068 0.1919338), wk = 0.0036496 k( 250) = ( 0.5000000 0.3758068 0.1706078), wk = 0.0036496 k( 251) = ( 0.5000000 0.3758068 0.1492818), wk = 0.0036496 k( 252) = ( 0.5000000 0.3758068 0.1279559), wk = 0.0036496 k( 253) = ( 0.5000000 0.3758068 0.1066299), wk = 0.0036496 k( 254) = ( 0.5000000 0.3758068 0.0853039), wk = 0.0036496 k( 255) = ( 0.5000000 0.3758068 0.0639779), wk = 0.0036496 k( 256) = ( 0.5000000 0.3758068 0.0426520), wk = 0.0036496 k( 257) = ( 0.5000000 0.3758068 0.0213260), wk = 0.0036496 k( 258) = ( 0.5000000 0.3758068 -0.0000000), wk = 0.0036496 k( 259) = ( 0.0000000 0.0000000 0.8321887), wk = 0.0036496 k( 260) = ( 0.0166667 0.0125269 0.8321887), wk = 0.0036496 k( 261) = ( 0.0333333 0.0250538 0.8321887), wk = 0.0036496 k( 262) = ( 0.0500000 0.0375807 0.8321887), wk = 0.0036496 k( 263) = ( 0.0666667 0.0501076 0.8321887), wk = 0.0036496 k( 264) = ( 0.0833333 0.0626345 0.8321887), wk = 0.0036496 k( 265) = ( 0.1000000 0.0751614 0.8321887), wk = 0.0036496 k( 266) = ( 0.1166667 0.0876883 0.8321887), wk = 0.0036496 k( 267) = ( 0.1333333 0.1002152 0.8321887), wk = 0.0036496 k( 268) = ( 0.1500000 0.1127421 0.8321887), wk = 0.0036496 k( 269) = ( 0.1666667 0.1252690 0.8321887), wk = 0.0036496 k( 270) = ( 0.1833333 0.1377958 0.8321887), wk = 0.0036496 k( 271) = ( 0.2000000 0.1503227 0.8321887), wk = 0.0036496 k( 272) = ( 0.2166667 0.1628496 0.8321887), wk = 0.0036496 k( 273) = ( 0.2333333 0.1753765 0.8321887), wk = 0.0036496 k( 274) = ( 0.2500000 0.1879034 0.8321887), wk = 0.0036496 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0036496 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0036496 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0036496 k( 5) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0036496 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0036496 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0036496 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0036496 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0036496 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0036496 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0036496 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0036496 k( 13) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0036496 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036496 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0036496 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0036496 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0036496 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0036496 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0036496 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0036496 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0036496 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0036496 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0036496 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0036496 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0036496 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0036496 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036496 k( 28) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0036496 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0036496 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0036496 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0036496 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0036496 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0036496 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0036496 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0036496 k( 36) = ( 0.0000000 0.0000000 0.4487180), wk = 0.0036496 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0036496 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0036496 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0036496 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 42) = ( -0.0128392 0.0128392 0.5000000), wk = 0.0036496 k( 43) = ( -0.0256783 0.0256783 0.5000000), wk = 0.0036496 k( 44) = ( -0.0385175 0.0385175 0.5000000), wk = 0.0036496 k( 45) = ( -0.0513566 0.0513567 0.5000000), wk = 0.0036496 k( 46) = ( -0.0641958 0.0641958 0.5000000), wk = 0.0036496 k( 47) = ( -0.0770350 0.0770350 0.5000000), wk = 0.0036496 k( 48) = ( -0.0898741 0.0898741 0.5000000), wk = 0.0036496 k( 49) = ( -0.1027133 0.1027133 0.5000000), wk = 0.0036496 k( 50) = ( -0.1155525 0.1155525 0.5000000), wk = 0.0036496 k( 51) = ( -0.1283916 0.1283916 0.5000000), wk = 0.0036496 k( 52) = ( -0.1412308 0.1412308 0.5000000), wk = 0.0036496 k( 53) = ( -0.1412308 0.1412308 0.5000000), wk = 0.0036496 k( 54) = ( -0.1502000 0.1502000 0.4910308), wk = 0.0036496 k( 55) = ( -0.1591692 0.1591692 0.4820615), wk = 0.0036496 k( 56) = ( -0.1681385 0.1681385 0.4730923), wk = 0.0036496 k( 57) = ( -0.1771077 0.1771077 0.4641231), wk = 0.0036496 k( 58) = ( -0.1860769 0.1860769 0.4551539), wk = 0.0036496 k( 59) = ( -0.1950462 0.1950462 0.4461846), wk = 0.0036496 k( 60) = ( -0.2040154 0.2040154 0.4372154), wk = 0.0036496 k( 61) = ( -0.2129846 0.2129846 0.4282462), wk = 0.0036496 k( 62) = ( -0.2219539 0.2219539 0.4192769), wk = 0.0036496 k( 63) = ( -0.2309231 0.2309231 0.4103077), wk = 0.0036496 k( 64) = ( -0.2398923 0.2398923 0.4013385), wk = 0.0036496 k( 65) = ( -0.2488615 0.2488615 0.3923692), wk = 0.0036496 k( 66) = ( -0.2578308 0.2578308 0.3834000), wk = 0.0036496 k( 67) = ( -0.2668000 0.2668000 0.3744308), wk = 0.0036496 k( 68) = ( -0.2757692 0.2757692 0.3654615), wk = 0.0036496 k( 69) = ( -0.2847385 0.2847385 0.3564923), wk = 0.0036496 k( 70) = ( -0.2937077 0.2937077 0.3475231), wk = 0.0036496 k( 71) = ( -0.3026769 0.3026769 0.3385538), wk = 0.0036496 k( 72) = ( -0.3116462 0.3116462 0.3295846), wk = 0.0036496 k( 73) = ( -0.3206154 0.3206154 0.3206154), wk = 0.0036496 k( 74) = ( -0.3206154 0.3206154 0.3206154), wk = 0.0036496 k( 75) = ( -0.3117094 0.3117094 0.3117094), wk = 0.0036496 k( 76) = ( -0.3028034 0.3028034 0.3028034), wk = 0.0036496 k( 77) = ( -0.2938974 0.2938974 0.2938974), wk = 0.0036496 k( 78) = ( -0.2849915 0.2849915 0.2849915), wk = 0.0036496 k( 79) = ( -0.2760855 0.2760855 0.2760855), wk = 0.0036496 k( 80) = ( -0.2671795 0.2671795 0.2671795), wk = 0.0036496 k( 81) = ( -0.2582735 0.2582735 0.2582735), wk = 0.0036496 k( 82) = ( -0.2493675 0.2493675 0.2493675), wk = 0.0036496 k( 83) = ( -0.2404615 0.2404615 0.2404615), wk = 0.0036496 k( 84) = ( -0.2315556 0.2315556 0.2315556), wk = 0.0036496 k( 85) = ( -0.2226496 0.2226496 0.2226496), wk = 0.0036496 k( 86) = ( -0.2137436 0.2137436 0.2137436), wk = 0.0036496 k( 87) = ( -0.2048376 0.2048376 0.2048376), wk = 0.0036496 k( 88) = ( -0.1959316 0.1959316 0.1959316), wk = 0.0036496 k( 89) = ( -0.1870256 0.1870256 0.1870257), wk = 0.0036496 k( 90) = ( -0.1781197 0.1781197 0.1781197), wk = 0.0036496 k( 91) = ( -0.1692137 0.1692137 0.1692137), wk = 0.0036496 k( 92) = ( -0.1603077 0.1603077 0.1603077), wk = 0.0036496 k( 93) = ( -0.1514017 0.1514017 0.1514017), wk = 0.0036496 k( 94) = ( -0.1424957 0.1424957 0.1424957), wk = 0.0036496 k( 95) = ( -0.1335898 0.1335898 0.1335898), wk = 0.0036496 k( 96) = ( -0.1246838 0.1246838 0.1246838), wk = 0.0036496 k( 97) = ( -0.1157778 0.1157778 0.1157778), wk = 0.0036496 k( 98) = ( -0.1068718 0.1068718 0.1068718), wk = 0.0036496 k( 99) = ( -0.0979658 0.0979658 0.0979658), wk = 0.0036496 k( 100) = ( -0.0890598 0.0890598 0.0890598), wk = 0.0036496 k( 101) = ( -0.0801538 0.0801539 0.0801538), wk = 0.0036496 k( 102) = ( -0.0712479 0.0712479 0.0712479), wk = 0.0036496 k( 103) = ( -0.0623419 0.0623419 0.0623419), wk = 0.0036496 k( 104) = ( -0.0534359 0.0534359 0.0534359), wk = 0.0036496 k( 105) = ( -0.0445299 0.0445299 0.0445299), wk = 0.0036496 k( 106) = ( -0.0356239 0.0356239 0.0356239), wk = 0.0036496 k( 107) = ( -0.0267180 0.0267180 0.0267179), wk = 0.0036496 k( 108) = ( -0.0178120 0.0178120 0.0178120), wk = 0.0036496 k( 109) = ( -0.0089060 0.0089060 0.0089060), wk = 0.0036496 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 112) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0036496 k( 113) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0036496 k( 114) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0036496 k( 115) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0036496 k( 116) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0036496 k( 117) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0036496 k( 118) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0036496 k( 119) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0036496 k( 120) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0036496 k( 121) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0036496 k( 122) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0036496 k( 123) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0036496 k( 124) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0036496 k( 125) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0036496 k( 126) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0036496 k( 127) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0036496 k( 128) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0036496 k( 129) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0036496 k( 130) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0036496 k( 131) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0036496 k( 132) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0036496 k( 133) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0036496 k( 134) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0036496 k( 135) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0036496 k( 136) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0036496 k( 137) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0036496 k( 138) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0036496 k( 139) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0036496 k( 140) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0036496 k( 141) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036496 k( 142) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036496 k( 143) = ( 0.4910308 0.5089692 -0.4910308), wk = 0.0036496 k( 144) = ( 0.4820615 0.5179385 -0.4820615), wk = 0.0036496 k( 145) = ( 0.4730923 0.5269077 -0.4730923), wk = 0.0036496 k( 146) = ( 0.4641231 0.5358769 -0.4641231), wk = 0.0036496 k( 147) = ( 0.4551539 0.5448462 -0.4551539), wk = 0.0036496 k( 148) = ( 0.4461846 0.5538154 -0.4461846), wk = 0.0036496 k( 149) = ( 0.4372154 0.5627846 -0.4372154), wk = 0.0036496 k( 150) = ( 0.4282462 0.5717538 -0.4282462), wk = 0.0036496 k( 151) = ( 0.4192769 0.5807231 -0.4192769), wk = 0.0036496 k( 152) = ( 0.4103077 0.5896923 -0.4103077), wk = 0.0036496 k( 153) = ( 0.4013385 0.5986615 -0.4013385), wk = 0.0036496 k( 154) = ( 0.3923692 0.6076308 -0.3923692), wk = 0.0036496 k( 155) = ( 0.3834000 0.6166000 -0.3834000), wk = 0.0036496 k( 156) = ( 0.3744308 0.6255692 -0.3744308), wk = 0.0036496 k( 157) = ( 0.3654615 0.6345385 -0.3654615), wk = 0.0036496 k( 158) = ( 0.3564923 0.6435077 -0.3564923), wk = 0.0036496 k( 159) = ( 0.3475231 0.6524769 -0.3475231), wk = 0.0036496 k( 160) = ( 0.3385538 0.6614461 -0.3385539), wk = 0.0036496 k( 161) = ( 0.3295846 0.6704154 -0.3295846), wk = 0.0036496 k( 162) = ( 0.3206154 0.6793846 -0.3206154), wk = 0.0036496 k( 163) = ( 0.3206154 0.6793846 -0.3206154), wk = 0.0036496 k( 164) = ( 0.3017557 0.6688326 -0.3017557), wk = 0.0036496 k( 165) = ( 0.2828959 0.6582805 -0.2828959), wk = 0.0036496 k( 166) = ( 0.2640362 0.6477285 -0.2640362), wk = 0.0036496 k( 167) = ( 0.2451765 0.6371765 -0.2451765), wk = 0.0036496 k( 168) = ( 0.2263168 0.6266244 -0.2263168), wk = 0.0036496 k( 169) = ( 0.2074570 0.6160724 -0.2074570), wk = 0.0036496 k( 170) = ( 0.1885973 0.6055204 -0.1885973), wk = 0.0036496 k( 171) = ( 0.1697376 0.5949683 -0.1697376), wk = 0.0036496 k( 172) = ( 0.1508778 0.5844163 -0.1508778), wk = 0.0036496 k( 173) = ( 0.1320181 0.5738642 -0.1320181), wk = 0.0036496 k( 174) = ( 0.1131584 0.5633122 -0.1131584), wk = 0.0036496 k( 175) = ( 0.0942986 0.5527602 -0.0942986), wk = 0.0036496 k( 176) = ( 0.0754389 0.5422081 -0.0754389), wk = 0.0036496 k( 177) = ( 0.0565792 0.5316561 -0.0565792), wk = 0.0036496 k( 178) = ( 0.0377195 0.5211041 -0.0377195), wk = 0.0036496 k( 179) = ( 0.0188597 0.5105520 -0.0188597), wk = 0.0036496 k( 180) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036496 k( 181) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036496 k( 182) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036496 k( 183) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036496 k( 184) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036496 k( 185) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036496 k( 186) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036496 k( 187) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036496 k( 188) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036496 k( 189) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036496 k( 190) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036496 k( 191) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036496 k( 192) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036496 k( 193) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036496 k( 194) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036496 k( 195) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036496 k( 196) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036496 k( 197) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036496 k( 198) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036496 k( 199) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036496 k( 200) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036496 k( 201) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036496 k( 202) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036496 k( 203) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036496 k( 204) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036496 k( 205) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036496 k( 206) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036496 k( 207) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036496 k( 208) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036496 k( 209) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036496 k( 210) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036496 k( 211) = ( 0.2631579 0.2631579 0.2294089), wk = 0.0036496 k( 212) = ( 0.2763158 0.2763158 0.2088178), wk = 0.0036496 k( 213) = ( 0.2894737 0.2894737 0.1882267), wk = 0.0036496 k( 214) = ( 0.3026316 0.3026316 0.1676356), wk = 0.0036496 k( 215) = ( 0.3157895 0.3157895 0.1470445), wk = 0.0036496 k( 216) = ( 0.3289474 0.3289474 0.1264534), wk = 0.0036496 k( 217) = ( 0.3421053 0.3421053 0.1058623), wk = 0.0036496 k( 218) = ( 0.3552632 0.3552632 0.0852713), wk = 0.0036496 k( 219) = ( 0.3684211 0.3684211 0.0646801), wk = 0.0036496 k( 220) = ( 0.3815789 0.3815790 0.0440891), wk = 0.0036496 k( 221) = ( 0.3947368 0.3947368 0.0234980), wk = 0.0036496 k( 222) = ( 0.4078947 0.4078947 0.0029069), wk = 0.0036496 k( 223) = ( 0.4210526 0.4210526 -0.0176842), wk = 0.0036496 k( 224) = ( 0.4342105 0.4342105 -0.0382753), wk = 0.0036496 k( 225) = ( 0.4473684 0.4473684 -0.0588664), wk = 0.0036496 k( 226) = ( 0.4605263 0.4605263 -0.0794575), wk = 0.0036496 k( 227) = ( 0.4736842 0.4736842 -0.1000486), wk = 0.0036496 k( 228) = ( 0.4868421 0.4868421 -0.1206397), wk = 0.0036496 k( 229) = ( 0.5000000 0.5000000 -0.1412308), wk = 0.0036496 k( 230) = ( 0.5000000 0.5000000 -0.1412308), wk = 0.0036496 k( 231) = ( 0.5000000 0.5000000 -0.1540440), wk = 0.0036496 k( 232) = ( 0.5000000 0.5000000 -0.1668572), wk = 0.0036496 k( 233) = ( 0.5000000 0.5000000 -0.1796703), wk = 0.0036496 k( 234) = ( 0.5000000 0.5000000 -0.1924835), wk = 0.0036496 k( 235) = ( 0.5000000 0.5000000 -0.2052967), wk = 0.0036496 k( 236) = ( 0.5000000 0.5000000 -0.2181099), wk = 0.0036496 k( 237) = ( 0.5000000 0.5000000 -0.2309231), wk = 0.0036496 k( 238) = ( 0.5000000 0.5000000 -0.2437363), wk = 0.0036496 k( 239) = ( 0.5000000 0.5000000 -0.2565495), wk = 0.0036496 k( 240) = ( 0.5000000 0.5000000 -0.2693627), wk = 0.0036496 k( 241) = ( 0.5000000 0.5000000 -0.2821758), wk = 0.0036496 k( 242) = ( 0.5000000 0.5000000 -0.2949890), wk = 0.0036496 k( 243) = ( 0.5000000 0.5000000 -0.3078022), wk = 0.0036496 k( 244) = ( 0.5000000 0.5000000 -0.3206154), wk = 0.0036496 k( 245) = ( 0.5000000 0.5000000 -0.3334286), wk = 0.0036496 k( 246) = ( 0.5000000 0.5000000 -0.3462418), wk = 0.0036496 k( 247) = ( 0.5000000 0.5000000 -0.3590550), wk = 0.0036496 k( 248) = ( 0.5000000 0.5000000 -0.3718681), wk = 0.0036496 k( 249) = ( 0.5000000 0.5000000 -0.3846813), wk = 0.0036496 k( 250) = ( 0.5000000 0.5000000 -0.3974945), wk = 0.0036496 k( 251) = ( 0.5000000 0.5000000 -0.4103077), wk = 0.0036496 k( 252) = ( 0.5000000 0.5000000 -0.4231209), wk = 0.0036496 k( 253) = ( 0.5000000 0.5000000 -0.4359341), wk = 0.0036496 k( 254) = ( 0.5000000 0.5000000 -0.4487473), wk = 0.0036496 k( 255) = ( 0.5000000 0.5000000 -0.4615604), wk = 0.0036496 k( 256) = ( 0.5000000 0.5000000 -0.4743736), wk = 0.0036496 k( 257) = ( 0.5000000 0.5000000 -0.4871868), wk = 0.0036496 k( 258) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036496 k( 259) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 260) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0036496 k( 261) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0036496 k( 262) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036496 k( 263) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0036496 k( 264) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0036496 k( 265) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036496 k( 266) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0036496 k( 267) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0036496 k( 268) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036496 k( 269) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0036496 k( 270) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0036496 k( 271) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036496 k( 272) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0036496 k( 273) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0036496 k( 274) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036496 Dense grid: 169093 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 45059 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 250, 50) NL pseudopotentials 0.25 Mb ( 125, 130) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.03 Mb ( 3523) G-vector shells 0.01 Mb ( 1666) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 250, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.20 Mb ( 130, 2, 50) The potential is recalculated from file : ./Al2HgSe4.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 45.9 secs Computing kpt #: 2 total cpu time spent up to now is 50.7 secs Computing kpt #: 3 total cpu time spent up to now is 55.2 secs Computing kpt #: 4 total cpu time spent up to now is 59.4 secs Computing kpt #: 5 total cpu time spent up to now is 63.6 secs Computing kpt #: 6 total cpu time spent up to now is 69.5 secs Computing kpt #: 7 total cpu time spent up to now is 73.5 secs Computing kpt #: 8 total cpu time spent up to now is 77.4 secs Computing kpt #: 9 total cpu time spent up to now is 81.3 secs Computing kpt #: 10 total cpu time spent up to now is 85.2 secs Computing kpt #: 11 total cpu time spent up to now is 89.1 secs Computing kpt #: 12 total cpu time spent up to now is 93.0 secs Computing kpt #: 13 total cpu time spent up to now is 96.6 secs Computing kpt #: 14 total cpu time spent up to now is 100.2 secs Computing kpt #: 15 total cpu time spent up to now is 104.0 secs Computing kpt #: 16 total cpu time spent up to now is 107.6 secs Computing kpt #: 17 total cpu time spent up to now is 112.2 secs Computing kpt #: 18 total cpu time spent up to now is 117.6 secs Computing kpt #: 19 total cpu time spent up to now is 121.4 secs Computing kpt #: 20 total cpu time spent up to now is 125.4 secs Computing kpt #: 21 total cpu time spent up to now is 129.7 secs Computing kpt #: 22 total cpu time spent up to now is 134.3 secs Computing kpt #: 23 total cpu time spent up to now is 138.2 secs Computing kpt #: 24 total cpu time spent up to now is 143.5 secs Computing kpt #: 25 total cpu time spent up to now is 148.1 secs Computing kpt #: 26 total cpu time spent up to now is 152.0 secs Computing kpt #: 27 total cpu time spent up to now is 155.6 secs Computing kpt #: 28 total cpu time spent up to now is 159.1 secs Computing kpt #: 29 total cpu time spent up to now is 162.7 secs Computing kpt #: 30 total cpu time spent up to now is 166.4 secs Computing kpt #: 31 total cpu time spent up to now is 170.0 secs Computing kpt #: 32 total cpu time spent up to now is 173.6 secs Computing kpt #: 33 total cpu time spent up to now is 177.2 secs Computing kpt #: 34 total cpu time spent up to now is 180.8 secs Computing kpt #: 35 total cpu time spent up to now is 184.4 secs Computing kpt #: 36 total cpu time spent up to now is 187.9 secs Computing kpt #: 37 total cpu time spent up to now is 191.5 secs Computing kpt #: 38 total cpu time spent up to now is 195.1 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 202.2 secs Computing kpt #: 41 total cpu time spent up to now is 205.8 secs Computing kpt #: 42 total cpu time spent up to now is 209.8 secs Computing kpt #: 43 total cpu time spent up to now is 215.4 secs Computing kpt #: 44 total cpu time spent up to now is 219.1 secs Computing kpt #: 45 total cpu time spent up to now is 222.7 secs Computing kpt #: 46 total cpu time spent up to now is 226.5 secs Computing kpt #: 47 total cpu time spent up to now is 230.3 secs Computing kpt #: 48 total cpu time spent up to now is 234.2 secs Computing kpt #: 49 total cpu time spent up to now is 238.1 secs Computing kpt #: 50 total cpu time spent up to now is 241.9 secs Computing kpt #: 51 total cpu time spent up to now is 245.9 secs Computing kpt #: 52 total cpu time spent up to now is 249.9 secs Computing kpt #: 53 total cpu time spent up to now is 253.9 secs Computing kpt #: 54 total cpu time spent up to now is 257.9 secs Computing kpt #: 55 total cpu time spent up to now is 261.6 secs Computing kpt #: 56 total cpu time spent up to now is 265.3 secs Computing kpt #: 57 total cpu time spent up to now is 269.1 secs Computing kpt #: 58 total cpu time spent up to now is 272.7 secs Computing kpt #: 59 total cpu time spent up to now is 276.9 secs Computing kpt #: 60 total cpu time spent up to now is 280.6 secs Computing kpt #: 61 total cpu time spent up to now is 284.2 secs Computing kpt #: 62 total cpu time spent up to now is 287.8 secs Computing kpt #: 63 total cpu time spent up to now is 291.5 secs Computing kpt #: 64 total cpu time spent up to now is 295.2 secs Computing kpt #: 65 total cpu time spent up to now is 299.0 secs Computing kpt #: 66 total cpu time spent up to now is 304.6 secs Computing kpt #: 67 total cpu time spent up to now is 308.3 secs Computing kpt #: 68 total cpu time spent up to now is 312.1 secs Computing kpt #: 69 total cpu time spent up to now is 315.8 secs Computing kpt #: 70 total cpu time spent up to now is 319.5 secs Computing kpt #: 71 total cpu time spent up to now is 324.5 secs Computing kpt #: 72 total cpu time spent up to now is 328.7 secs Computing kpt #: 73 total cpu time spent up to now is 332.5 secs Computing kpt #: 74 total cpu time spent up to now is 336.2 secs Computing kpt #: 75 total cpu time spent up to now is 339.8 secs Computing kpt #: 76 total cpu time spent up to now is 343.5 secs Computing kpt #: 77 total cpu time spent up to now is 347.1 secs Computing kpt #: 78 total cpu time spent up to now is 350.8 secs Computing kpt #: 79 total cpu time spent up to now is 354.4 secs Computing kpt #: 80 total cpu time spent up to now is 358.0 secs Computing kpt #: 81 total cpu time spent up to now is 361.6 secs Computing kpt #: 82 total cpu time spent up to now is 365.3 secs Computing kpt #: 83 total cpu time spent up to now is 369.0 secs Computing kpt #: 84 total cpu time spent up to now is 372.7 secs Computing kpt #: 85 total cpu time spent up to now is 376.4 secs Computing kpt #: 86 total cpu time spent up to now is 380.2 secs Computing kpt #: 87 total cpu time spent up to now is 384.0 secs Computing kpt #: 88 total cpu time spent up to now is 388.0 secs Computing kpt #: 89 total cpu time spent up to now is 394.5 secs Computing kpt #: 90 total cpu time spent up to now is 398.5 secs Computing kpt #: 91 total cpu time spent up to now is 402.8 secs Computing kpt #: 92 total cpu time spent up to now is 406.9 secs Computing kpt #: 93 total cpu time spent up to now is 411.4 secs Computing kpt #: 94 total cpu time spent up to now is 416.0 secs Computing kpt #: 95 total cpu time spent up to now is 420.0 secs Computing kpt #: 96 total cpu time spent up to now is 423.9 secs Computing kpt #: 97 total cpu time spent up to now is 427.8 secs Computing kpt #: 98 total cpu time spent up to now is 431.7 secs Computing kpt #: 99 total cpu time spent up to now is 435.5 secs Computing kpt #: 100 total cpu time spent up to now is 439.4 secs Computing kpt #: 101 total cpu time spent up to now is 443.3 secs Computing kpt #: 102 total cpu time spent up to now is 447.3 secs Computing kpt #: 103 total cpu time spent up to now is 451.3 secs Computing kpt #: 104 total cpu time spent up to now is 456.0 secs Computing kpt #: 105 total cpu time spent up to now is 460.5 secs Computing kpt #: 106 total cpu time spent up to now is 464.9 secs Computing kpt #: 107 total cpu time spent up to now is 469.4 secs Computing kpt #: 108 total cpu time spent up to now is 473.6 secs Computing kpt #: 109 total cpu time spent up to now is 478.8 secs Computing kpt #: 110 total cpu time spent up to now is 483.4 secs Computing kpt #: 111 total cpu time spent up to now is 488.1 secs Computing kpt #: 112 total cpu time spent up to now is 493.1 secs Computing kpt #: 113 total cpu time spent up to now is 498.2 secs Computing kpt #: 114 total cpu time spent up to now is 502.2 secs Computing kpt #: 115 total cpu time spent up to now is 506.3 secs Computing kpt #: 116 total cpu time spent up to now is 512.0 secs Computing kpt #: 117 total cpu time spent up to now is 516.0 secs Computing kpt #: 118 total cpu time spent up to now is 519.8 secs Computing kpt #: 119 total cpu time spent up to now is 523.7 secs Computing kpt #: 120 total cpu time spent up to now is 527.5 secs Computing kpt #: 121 total cpu time spent up to now is 531.4 secs Computing kpt #: 122 total cpu time spent up to now is 535.3 secs Computing kpt #: 123 total cpu time spent up to now is 539.0 secs Computing kpt #: 124 total cpu time spent up to now is 542.8 secs Computing kpt #: 125 total cpu time spent up to now is 546.4 secs Computing kpt #: 126 total cpu time spent up to now is 550.1 secs Computing kpt #: 127 total cpu time spent up to now is 554.1 secs Computing kpt #: 128 total cpu time spent up to now is 558.0 secs Computing kpt #: 129 total cpu time spent up to now is 561.7 secs Computing kpt #: 130 total cpu time spent up to now is 565.4 secs Computing kpt #: 131 total cpu time spent up to now is 569.0 secs Computing kpt #: 132 total cpu time spent up to now is 572.7 secs Computing kpt #: 133 total cpu time spent up to now is 577.0 secs Computing kpt #: 134 total cpu time spent up to now is 580.7 secs Computing kpt #: 135 total cpu time spent up to now is 584.4 secs Computing kpt #: 136 total cpu time spent up to now is 588.1 secs Computing kpt #: 137 total cpu time spent up to now is 591.8 secs Computing kpt #: 138 total cpu time spent up to now is 595.5 secs Computing kpt #: 139 total cpu time spent up to now is 599.3 secs Computing kpt #: 140 total cpu time spent up to now is 602.9 secs Computing kpt #: 141 total cpu time spent up to now is 606.3 secs Computing kpt #: 142 total cpu time spent up to now is 609.8 secs Computing kpt #: 143 total cpu time spent up to now is 613.3 secs Computing kpt #: 144 total cpu time spent up to now is 616.9 secs Computing kpt #: 145 total cpu time spent up to now is 620.4 secs Computing kpt #: 146 total cpu time spent up to now is 624.0 secs Computing kpt #: 147 total cpu time spent up to now is 627.6 secs Computing kpt #: 148 total cpu time spent up to now is 631.2 secs Computing kpt #: 149 total cpu time spent up to now is 634.9 secs Computing kpt #: 150 total cpu time spent up to now is 638.6 secs Computing kpt #: 151 total cpu time spent up to now is 642.3 secs Computing kpt #: 152 total cpu time spent up to now is 646.1 secs Computing kpt #: 153 total cpu time spent up to now is 651.8 secs Computing kpt #: 154 total cpu time spent up to now is 655.6 secs Computing kpt #: 155 total cpu time spent up to now is 659.5 secs Computing kpt #: 156 total cpu time spent up to now is 663.4 secs Computing kpt #: 157 total cpu time spent up to now is 667.2 secs Computing kpt #: 158 total cpu time spent up to now is 671.0 secs Computing kpt #: 159 total cpu time spent up to now is 674.8 secs Computing kpt #: 160 total cpu time spent up to now is 678.6 secs Computing kpt #: 161 total cpu time spent up to now is 682.4 secs Computing kpt #: 162 total cpu time spent up to now is 687.5 secs Computing kpt #: 163 total cpu time spent up to now is 691.2 secs Computing kpt #: 164 total cpu time spent up to now is 695.5 secs Computing kpt #: 165 total cpu time spent up to now is 699.1 secs Computing kpt #: 166 total cpu time spent up to now is 702.8 secs Computing kpt #: 167 total cpu time spent up to now is 706.4 secs Computing kpt #: 168 total cpu time spent up to now is 710.1 secs Computing kpt #: 169 total cpu time spent up to now is 716.1 secs Computing kpt #: 170 total cpu time spent up to now is 719.8 secs Computing kpt #: 171 total cpu time spent up to now is 723.4 secs Computing kpt #: 172 total cpu time spent up to now is 726.9 secs Computing kpt #: 173 total cpu time spent up to now is 730.4 secs Computing kpt #: 174 total cpu time spent up to now is 733.9 secs Computing kpt #: 175 total cpu time spent up to now is 737.5 secs Computing kpt #: 176 total cpu time spent up to now is 741.1 secs Computing kpt #: 177 total cpu time spent up to now is 746.6 secs Computing kpt #: 178 total cpu time spent up to now is 750.2 secs Computing kpt #: 179 total cpu time spent up to now is 753.7 secs Computing kpt #: 180 total cpu time spent up to now is 757.3 secs Computing kpt #: 181 total cpu time spent up to now is 760.8 secs Computing kpt #: 182 total cpu time spent up to now is 764.4 secs Computing kpt #: 183 total cpu time spent up to now is 768.1 secs Computing kpt #: 184 total cpu time spent up to now is 771.8 secs Computing kpt #: 185 total cpu time spent up to now is 775.5 secs Computing kpt #: 186 total cpu time spent up to now is 779.3 secs Computing kpt #: 187 total cpu time spent up to now is 783.0 secs Computing kpt #: 188 total cpu time spent up to now is 786.7 secs Computing kpt #: 189 total cpu time spent up to now is 790.5 secs Computing kpt #: 190 total cpu time spent up to now is 794.2 secs Computing kpt #: 191 total cpu time spent up to now is 798.0 secs Computing kpt #: 192 total cpu time spent up to now is 802.1 secs Computing kpt #: 193 total cpu time spent up to now is 806.1 secs Computing kpt #: 194 total cpu time spent up to now is 810.8 secs Computing kpt #: 195 total cpu time spent up to now is 816.3 secs Computing kpt #: 196 total cpu time spent up to now is 820.9 secs Computing kpt #: 197 total cpu time spent up to now is 825.0 secs Computing kpt #: 198 total cpu time spent up to now is 829.0 secs Computing kpt #: 199 total cpu time spent up to now is 833.1 secs Computing kpt #: 200 total cpu time spent up to now is 837.0 secs Computing kpt #: 201 total cpu time spent up to now is 840.9 secs Computing kpt #: 202 total cpu time spent up to now is 844.6 secs Computing kpt #: 203 total cpu time spent up to now is 848.3 secs Computing kpt #: 204 total cpu time spent up to now is 852.0 secs Computing kpt #: 205 total cpu time spent up to now is 855.6 secs Computing kpt #: 206 total cpu time spent up to now is 859.3 secs Computing kpt #: 207 total cpu time spent up to now is 862.9 secs Computing kpt #: 208 total cpu time spent up to now is 866.6 secs Computing kpt #: 209 total cpu time spent up to now is 870.2 secs Computing kpt #: 210 total cpu time spent up to now is 873.8 secs Computing kpt #: 211 total cpu time spent up to now is 877.4 secs Computing kpt #: 212 total cpu time spent up to now is 881.6 secs Computing kpt #: 213 total cpu time spent up to now is 885.2 secs Computing kpt #: 214 total cpu time spent up to now is 888.8 secs Computing kpt #: 215 total cpu time spent up to now is 892.5 secs Computing kpt #: 216 total cpu time spent up to now is 896.2 secs Computing kpt #: 217 total cpu time spent up to now is 900.2 secs Computing kpt #: 218 total cpu time spent up to now is 905.3 secs Computing kpt #: 219 total cpu time spent up to now is 909.8 secs Computing kpt #: 220 total cpu time spent up to now is 913.7 secs Computing kpt #: 221 total cpu time spent up to now is 917.7 secs Computing kpt #: 222 total cpu time spent up to now is 921.6 secs Computing kpt #: 223 total cpu time spent up to now is 925.5 secs Computing kpt #: 224 total cpu time spent up to now is 929.5 secs Computing kpt #: 225 total cpu time spent up to now is 933.5 secs Computing kpt #: 226 total cpu time spent up to now is 937.4 secs Computing kpt #: 227 total cpu time spent up to now is 941.4 secs Computing kpt #: 228 total cpu time spent up to now is 945.4 secs Computing kpt #: 229 total cpu time spent up to now is 949.3 secs Computing kpt #: 230 total cpu time spent up to now is 953.3 secs Computing kpt #: 231 total cpu time spent up to now is 957.4 secs Computing kpt #: 232 total cpu time spent up to now is 963.1 secs Computing kpt #: 233 total cpu time spent up to now is 966.9 secs Computing kpt #: 234 total cpu time spent up to now is 970.7 secs Computing kpt #: 235 total cpu time spent up to now is 974.4 secs Computing kpt #: 236 total cpu time spent up to now is 978.2 secs Computing kpt #: 237 total cpu time spent up to now is 982.0 secs Computing kpt #: 238 total cpu time spent up to now is 985.7 secs Computing kpt #: 239 total cpu time spent up to now is 989.5 secs Computing kpt #: 240 total cpu time spent up to now is 993.3 secs Computing kpt #: 241 total cpu time spent up to now is 997.0 secs Computing kpt #: 242 total cpu time spent up to now is 1000.8 secs Computing kpt #: 243 total cpu time spent up to now is 1004.6 secs Computing kpt #: 244 total cpu time spent up to now is 1008.3 secs Computing kpt #: 245 total cpu time spent up to now is 1013.0 secs Computing kpt #: 246 total cpu time spent up to now is 1018.5 secs Computing kpt #: 247 total cpu time spent up to now is 1022.2 secs Computing kpt #: 248 total cpu time spent up to now is 1026.5 secs Computing kpt #: 249 total cpu time spent up to now is 1030.2 secs Computing kpt #: 250 total cpu time spent up to now is 1033.9 secs Computing kpt #: 251 total cpu time spent up to now is 1037.7 secs Computing kpt #: 252 total cpu time spent up to now is 1041.4 secs Computing kpt #: 253 total cpu time spent up to now is 1045.1 secs Computing kpt #: 254 total cpu time spent up to now is 1048.7 secs Computing kpt #: 255 total cpu time spent up to now is 1052.3 secs Computing kpt #: 256 total cpu time spent up to now is 1055.9 secs Computing kpt #: 257 total cpu time spent up to now is 1059.4 secs Computing kpt #: 258 total cpu time spent up to now is 1062.8 secs Computing kpt #: 259 total cpu time spent up to now is 1066.4 secs Computing kpt #: 260 total cpu time spent up to now is 1070.0 secs Computing kpt #: 261 total cpu time spent up to now is 1073.6 secs Computing kpt #: 262 total cpu time spent up to now is 1078.5 secs Computing kpt #: 263 total cpu time spent up to now is 1082.8 secs Computing kpt #: 264 total cpu time spent up to now is 1086.4 secs Computing kpt #: 265 total cpu time spent up to now is 1090.0 secs Computing kpt #: 266 total cpu time spent up to now is 1093.5 secs Computing kpt #: 267 total cpu time spent up to now is 1097.1 secs Computing kpt #: 268 total cpu time spent up to now is 1100.7 secs Computing kpt #: 269 total cpu time spent up to now is 1104.3 secs Computing kpt #: 270 total cpu time spent up to now is 1107.9 secs Computing kpt #: 271 total cpu time spent up to now is 1111.5 secs Computing kpt #: 272 total cpu time spent up to now is 1115.0 secs Computing kpt #: 273 total cpu time spent up to now is 1118.7 secs Computing kpt #: 274 total cpu time spent up to now is 1122.2 secs ethr = 2.38E-11, avg # of iterations = 40.6 total cpu time spent up to now is 1122.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5613 PWs) bands (ev): -8.2863 -8.2863 -7.0211 -7.0211 -7.0164 -7.0164 -6.9496 -6.9496 -2.1620 -2.1620 -2.1588 -2.1588 -0.9693 -0.9693 -0.5750 -0.5750 -0.4710 -0.4710 -0.1226 -0.1226 0.1050 0.1050 1.5527 1.5527 1.6742 1.6742 1.7357 1.7357 1.8632 1.8632 2.7292 2.7292 3.3243 3.3243 3.3321 3.3321 4.5011 4.5011 4.8487 4.8487 4.9346 4.9346 6.5172 6.5172 7.9485 7.9485 8.4216 8.4216 10.2460 10.2460 k = 0.0000 0.0000 0.0213 ( 5605 PWs) bands (ev): -8.2856 -8.2856 -7.0217 -7.0216 -7.0170 -7.0169 -6.9495 -6.9495 -2.1634 -2.1622 -2.1585 -2.1576 -0.9752 -0.9625 -0.5805 -0.5696 -0.4751 -0.4678 -0.1324 -0.1142 0.1040 0.1075 1.5376 1.5559 1.6545 1.6953 1.7238 1.7514 1.8524 1.8868 2.7261 2.7298 3.3227 3.3250 3.3302 3.3372 4.4969 4.5010 4.8442 4.8459 4.9271 4.9309 6.5267 6.5280 7.9512 7.9523 8.4239 8.4276 10.2400 10.2462 k = 0.0000 0.0000 0.0427 ( 5603 PWs) bands (ev): -8.2834 -8.2833 -7.0235 -7.0233 -7.0187 -7.0185 -6.9494 -6.9493 -2.1650 -2.1638 -2.1569 -2.1563 -0.9798 -0.9546 -0.5859 -0.5642 -0.4801 -0.4656 -0.1431 -0.1076 0.1046 0.1114 1.5160 1.5469 1.6343 1.7071 1.7207 1.7734 1.8597 1.9179 2.7203 2.7277 3.3178 3.3215 3.3377 3.3449 4.4879 4.4966 4.8298 4.8347 4.9121 4.9184 6.5558 6.5584 7.9603 7.9625 8.4345 8.4419 10.2277 10.2391 k = 0.0000 0.0000 0.0640 ( 5613 PWs) bands (ev): -8.2796 -8.2796 -7.0265 -7.0263 -7.0212 -7.0210 -6.9491 -6.9490 -2.1667 -2.1658 -2.1554 -2.1549 -0.9833 -0.9459 -0.5912 -0.5589 -0.4858 -0.4643 -0.1545 -0.1032 0.1065 0.1162 1.4933 1.5310 1.6135 1.6855 1.7478 1.7982 1.8838 1.9538 2.7117 2.7227 3.3095 3.3180 3.3499 3.3575 4.4726 4.4873 4.8006 4.8119 4.8970 4.9034 6.6018 6.6061 7.9755 7.9786 8.4536 8.4646 10.2070 10.2221 k = 0.0000 0.0000 0.0854 ( 5610 PWs) bands (ev): -8.2744 -8.2743 -7.0308 -7.0306 -7.0245 -7.0243 -6.9489 -6.9487 -2.1685 -2.1678 -2.1545 -2.1529 -0.9854 -0.9364 -0.5964 -0.5538 -0.4919 -0.4640 -0.1662 -0.1011 0.1093 0.1212 1.4724 1.5133 1.5931 1.6601 1.7757 1.8231 1.9198 1.9933 2.6999 2.7143 3.3011 3.3133 3.3666 3.3749 4.4493 4.4715 4.7572 4.7773 4.8856 4.8913 6.6617 6.6679 7.9963 8.0000 8.4813 8.4956 10.1774 10.1956 k = 0.0000 0.0000 0.1067 ( 5618 PWs) bands (ev): -8.2677 -8.2677 -7.0364 -7.0361 -7.0285 -7.0283 -6.9488 -6.9485 -2.1707 -2.1695 -2.1538 -2.1509 -0.9862 -0.9262 -0.6014 -0.5489 -0.4983 -0.4645 -0.1780 -0.1012 0.1121 0.1257 1.4551 1.4961 1.5746 1.6339 1.8019 1.8470 1.9634 2.0359 2.6845 2.7023 3.2942 3.3091 3.3872 3.3967 4.4152 4.4468 4.7062 4.7363 4.8765 4.8821 6.7320 6.7403 8.0220 8.0262 8.5177 8.5352 10.1411 10.1619 k = 0.0000 0.0000 0.1280 ( 5624 PWs) bands (ev): -8.2596 -8.2595 -7.0431 -7.0427 -7.0332 -7.0330 -6.9489 -6.9485 -2.1731 -2.1709 -2.1534 -2.1489 -0.9857 -0.9154 -0.6060 -0.5444 -0.5046 -0.4657 -0.1898 -0.1036 0.1142 0.1289 1.4418 1.4800 1.5603 1.6093 1.8250 1.8691 2.0116 2.0813 2.6653 2.6867 3.2904 3.3070 3.4114 3.4222 4.3682 4.4099 4.6556 4.6951 4.8681 4.8743 6.8095 6.8201 8.0519 8.0567 8.5625 8.5832 10.1007 10.1233 k = 0.0000 0.0000 0.1494 ( 5624 PWs) bands (ev): -8.2501 -8.2499 -7.0509 -7.0504 -7.0385 -7.0383 -6.9492 -6.9486 -2.1755 -2.1723 -2.1532 -2.1468 -0.9836 -0.9041 -0.6103 -0.5407 -0.5103 -0.4675 -0.2017 -0.1079 0.1147 0.1301 1.4317 1.4645 1.5526 1.5887 1.8443 1.8886 2.0629 2.1291 2.6427 2.6680 3.2909 3.3084 3.4382 3.4509 4.3079 4.3587 4.6109 4.6574 4.8595 4.8666 6.8914 6.9045 8.0851 8.0909 8.6154 8.6391 10.0580 10.0819 k = 0.0000 0.0000 0.1707 ( 5616 PWs) bands (ev): -8.2391 -8.2389 -7.0595 -7.0589 -7.0445 -7.0443 -6.9498 -6.9491 -2.1779 -2.1735 -2.1532 -2.1448 -0.9802 -0.8925 -0.6141 -0.5387 -0.5145 -0.4698 -0.2135 -0.1142 0.1131 0.1284 1.4215 1.4499 1.5530 1.5758 1.8589 1.9041 2.1162 2.1790 2.6177 2.6470 3.2965 3.3145 3.4667 3.4821 4.2362 4.2945 4.5736 4.6240 4.8504 4.8586 6.9753 6.9909 8.1212 8.1284 8.6756 8.7025 10.0144 10.0392 k = 0.0000 0.0000 0.1920 ( 5630 PWs) bands (ev): -8.2268 -8.2265 -7.0690 -7.0682 -7.0511 -7.0509 -6.9508 -6.9499 -2.1802 -2.1747 -2.1534 -2.1429 -0.9752 -0.8805 -0.6174 -0.5396 -0.5157 -0.4724 -0.2254 -0.1223 0.1089 0.1234 1.4075 1.4363 1.5608 1.5765 1.8684 1.9145 2.1708 2.2302 2.5919 2.6253 3.3074 3.3256 3.4956 3.5151 4.1562 4.2220 4.5416 4.5938 4.8407 4.8500 7.0594 7.0775 8.1598 8.1686 8.7420 8.7720 9.9711 9.9966 k = 0.0000 0.0000 0.2134 ( 5624 PWs) bands (ev): -8.2131 -8.2128 -7.0793 -7.0783 -7.0582 -7.0581 -6.9522 -6.9511 -2.1824 -2.1759 -2.1537 -2.1410 -0.9688 -0.8684 -0.6200 -0.5433 -0.5139 -0.4753 -0.2373 -0.1320 0.1019 0.1148 1.3895 1.4216 1.5765 1.5934 1.8718 1.9185 2.2263 2.2821 2.5674 2.6053 3.3233 3.3419 3.5230 3.5492 4.0715 4.1464 4.5123 4.5652 4.8303 4.8407 7.1421 7.1625 8.2008 8.2112 8.8129 8.8463 9.9289 9.9555 k = 0.0000 0.0000 0.2347 ( 5632 PWs) bands (ev): -8.1981 -8.1977 -7.0902 -7.0890 -7.0660 -7.0657 -6.9541 -6.9527 -2.1845 -2.1771 -2.1540 -2.1391 -0.9610 -0.8562 -0.6220 -0.5485 -0.5107 -0.4784 -0.2492 -0.1434 0.0919 0.1026 1.3694 1.4041 1.6035 1.6225 1.8685 1.9152 2.2819 2.3334 2.5468 2.5898 3.3433 3.3628 3.5465 3.5828 3.9857 4.0733 4.4839 4.5369 4.8194 4.8307 7.2223 7.2446 8.2438 8.2556 8.8863 8.9233 9.8888 9.9170 k = 0.0000 0.0000 0.2561 ( 5620 PWs) bands (ev): -8.1818 -8.1814 -7.1017 -7.1003 -7.0742 -7.0739 -6.9564 -6.9548 -2.1864 -2.1783 -2.1543 -2.1374 -0.9517 -0.8440 -0.6232 -0.5543 -0.5069 -0.4815 -0.2611 -0.1563 0.0791 0.0869 1.3485 1.3846 1.6415 1.6609 1.8588 1.9039 2.3365 2.3821 2.5325 2.5821 3.3663 3.3875 3.5627 3.6131 3.9036 4.0083 4.4555 4.5082 4.8080 4.8202 7.2990 7.3228 8.2885 8.3014 8.9593 9.0000 9.8520 9.8825 k = 0.0000 0.0000 0.2774 ( 5616 PWs) bands (ev): -8.1642 -8.1638 -7.1136 -7.1121 -7.0828 -7.0825 -6.9591 -6.9573 -2.1881 -2.1795 -2.1546 -2.1358 -0.9411 -0.8319 -0.6237 -0.5601 -0.5031 -0.4845 -0.2729 -0.1707 0.0636 0.0682 1.3273 1.3639 1.6879 1.7067 1.8445 1.8850 2.3876 2.4249 2.5278 2.5866 3.3898 3.4145 3.5681 3.6331 3.8342 3.9576 4.4268 4.4790 4.7962 4.8092 7.3717 7.3966 8.3344 8.3479 9.0287 9.0731 9.8201 9.8540 k = 0.0000 0.0000 0.2987 ( 5620 PWs) bands (ev): -8.1455 -8.1450 -7.1261 -7.1244 -7.0918 -7.0914 -6.9624 -6.9604 -2.1897 -2.1808 -2.1548 -2.1342 -0.9291 -0.8200 -0.6235 -0.5658 -0.5002 -0.4868 -0.2846 -0.1865 0.0453 0.0475 1.3058 1.3424 1.7348 1.7560 1.8345 1.8607 2.4294 2.4576 2.5382 2.6071 3.4087 3.4411 3.5626 3.6270 3.7961 3.9261 4.3982 4.4491 4.7842 4.7977 7.4401 7.4653 8.3808 8.3946 9.0901 9.1377 9.7949 9.8338 k = 0.0000 0.0000 0.3201 ( 5626 PWs) bands (ev): -8.1257 -8.1250 -7.1389 -7.1370 -7.1011 -7.1007 -6.9663 -6.9641 -2.1910 -2.1822 -2.1548 -2.1328 -0.9159 -0.8085 -0.6226 -0.5714 -0.4997 -0.4869 -0.2962 -0.2034 0.0228 0.0269 1.2836 1.3202 1.7512 1.7953 1.8464 1.8596 2.4549 2.4794 2.5699 2.6432 3.4127 3.4593 3.5566 3.5955 3.7973 3.9130 4.3705 4.4194 4.7720 4.7860 7.5040 7.5289 8.4271 8.4406 9.1390 9.1888 9.7790 9.8245 k = 0.0000 0.0000 0.3414 ( 5622 PWs) bands (ev): -8.1047 -8.1040 -7.1520 -7.1499 -7.1106 -7.1102 -6.9707 -6.9683 -2.1921 -2.1837 -2.1548 -2.1316 -0.9015 -0.7974 -0.6210 -0.5768 -0.5021 -0.4845 -0.3074 -0.2214 -0.0019 0.0057 1.2600 1.2970 1.7332 1.7782 1.8948 1.9200 2.4673 2.4941 2.6178 2.6892 3.3918 3.4483 3.5651 3.5806 3.8171 3.9119 4.3454 4.3906 4.7599 4.7740 7.5634 7.5869 8.4722 8.4854 9.1710 9.2214 9.7742 9.8278 k = 0.0000 0.0000 0.3627 ( 5626 PWs) bands (ev): -8.0828 -8.0819 -7.1653 -7.1631 -7.1204 -7.1198 -6.9757 -6.9731 -2.1929 -2.1852 -2.1546 -2.1305 -0.8859 -0.7868 -0.6189 -0.5820 -0.5060 -0.4810 -0.3182 -0.2402 -0.0278 -0.0164 1.2338 1.2721 1.7075 1.7436 1.9652 1.9938 2.4727 2.5052 2.6724 2.7395 3.3534 3.4069 3.5883 3.5982 3.8405 3.9151 4.3248 4.3642 4.7477 4.7619 7.6181 7.6393 8.5153 8.5280 9.1841 9.2333 9.7807 9.8431 k = 0.0000 0.0000 0.3841 ( 5614 PWs) bands (ev): -8.0598 -8.0588 -7.1787 -7.1765 -7.1303 -7.1296 -6.9813 -6.9785 -2.1936 -2.1867 -2.1544 -2.1296 -0.8694 -0.7768 -0.6163 -0.5869 -0.5106 -0.4772 -0.3286 -0.2595 -0.0543 -0.0389 1.2039 1.2449 1.6826 1.7086 2.0415 2.0738 2.4731 2.5132 2.7293 2.7904 3.3109 3.3616 3.6184 3.6287 3.8614 3.9161 4.3110 4.3422 4.7358 4.7498 7.6679 7.6857 8.5554 8.5677 9.1788 9.2263 9.7954 9.8659 k = 0.0000 0.0000 0.4054 ( 5616 PWs) bands (ev): -8.0360 -8.0349 -7.1923 -7.1899 -7.1402 -7.1394 -6.9875 -6.9846 -2.1940 -2.1882 -2.1540 -2.1289 -0.8521 -0.7676 -0.6135 -0.5916 -0.5157 -0.4735 -0.3385 -0.2790 -0.0807 -0.0613 1.1693 1.2147 1.6617 1.6776 2.1210 2.1569 2.4683 2.5168 2.7859 2.8395 3.2741 3.3258 3.6499 3.6632 3.8765 3.9113 4.3053 4.3271 4.7241 4.7377 7.7124 7.7255 8.5913 8.6037 9.1587 9.2047 9.8129 9.8898 k = 0.0000 0.0000 0.4268 ( 5612 PWs) bands (ev): -8.0114 -8.0101 -7.2059 -7.2034 -7.1501 -7.1493 -6.9943 -6.9913 -2.1941 -2.1896 -2.1536 -2.1284 -0.8340 -0.7590 -0.6108 -0.5958 -0.5210 -0.4699 -0.3478 -0.2984 -0.1068 -0.0832 1.1296 1.1807 1.6438 1.6552 2.2014 2.2399 2.4585 2.5145 2.8408 2.8851 3.2500 3.3047 3.6797 3.6986 3.8825 3.9013 4.3064 4.3227 4.7129 4.7258 7.7508 7.7582 8.6222 8.6348 9.1280 9.1734 9.8277 9.9088 k = 0.0000 0.0000 0.4481 ( 5592 PWs) bands (ev): -7.9860 -7.9846 -7.2195 -7.2169 -7.1600 -7.1591 -7.0017 -6.9986 -2.1941 -2.1910 -2.1532 -2.1281 -0.8154 -0.7512 -0.6093 -0.5991 -0.5266 -0.4667 -0.3568 -0.3172 -0.1321 -0.1039 1.0852 1.1423 1.6271 1.6455 2.2793 2.3149 2.4492 2.5061 2.8926 2.9272 3.2432 3.3004 3.7053 3.7331 3.8720 3.8953 4.3108 4.3319 4.7022 4.7143 7.7802 7.7844 8.6471 8.6602 9.0914 9.1374 9.8353 9.9187 k = 0.0000 0.0000 0.4694 ( 5600 PWs) bands (ev): -7.9599 -7.9583 -7.2330 -7.2304 -7.1698 -7.1688 -7.0098 -7.0066 -2.1938 -2.1922 -2.1528 -2.1281 -0.7966 -0.7442 -0.6103 -0.6002 -0.5322 -0.4639 -0.3653 -0.3351 -0.1560 -0.1229 1.0367 1.0995 1.6160 1.6448 2.3403 2.3593 2.4656 2.4984 2.9407 2.9680 3.2547 3.3123 3.7240 3.7650 3.8520 3.8935 4.3203 4.3505 4.6923 4.7032 7.7953 7.8064 8.6650 8.6789 9.0531 9.1006 9.8340 9.9182 k = 0.0000 0.0000 0.4908 ( 5608 PWs) bands (ev): -7.9332 -7.9315 -7.2465 -7.2437 -7.1794 -7.1783 -7.0184 -7.0152 -2.1934 -2.1933 -2.1525 -2.1283 -0.7779 -0.7377 -0.6138 -0.5996 -0.5377 -0.4618 -0.3736 -0.3515 -0.1782 -0.1397 0.9852 1.0526 1.6120 1.6510 2.3315 2.3862 2.4997 2.5363 2.9866 3.0108 3.2822 3.3371 3.7325 3.7895 3.8369 3.8941 4.3353 4.3742 4.6833 4.6927 7.7981 7.8187 8.6750 8.6909 9.0169 9.0663 9.8245 9.9081 k = 0.0000 0.0000 0.5121 ( 5614 PWs) bands (ev): -7.9061 -7.9042 -7.2598 -7.2569 -7.1888 -7.1876 -7.0276 -7.0243 -2.1941 -2.1927 -2.1523 -2.1288 -0.7598 -0.7317 -0.6182 -0.5994 -0.5430 -0.4606 -0.3818 -0.3658 -0.1980 -0.1539 0.9318 1.0026 1.6148 1.6631 2.2953 2.3703 2.5482 2.6043 3.0334 3.0581 3.3214 3.3699 3.7298 3.7944 3.8442 3.8995 4.3544 4.4007 4.6753 4.6830 7.7878 7.8183 8.6769 8.6967 8.9858 9.0368 9.8094 9.8910 k = 0.0000 0.0000 0.5335 ( 5618 PWs) bands (ev): -7.8786 -7.8765 -7.2729 -7.2700 -7.1980 -7.1967 -7.0373 -7.0340 -2.1948 -2.1919 -2.1522 -2.1296 -0.7438 -0.7250 -0.6230 -0.6002 -0.5480 -0.4605 -0.3897 -0.3774 -0.2151 -0.1650 0.8772 0.9501 1.6236 1.6805 2.2515 2.3336 2.6023 2.6678 3.0835 3.1115 3.3680 3.4060 3.7200 3.7911 3.8660 3.9097 4.3757 4.4282 4.6686 4.6743 7.7634 7.8028 8.6722 8.6969 8.9612 9.0131 9.7918 9.8698 k = 0.0000 0.0000 0.5548 ( 5618 PWs) bands (ev): -7.8508 -7.8485 -7.2860 -7.2829 -7.2069 -7.2055 -7.0475 -7.0442 -2.1952 -2.1909 -2.1523 -2.1307 -0.7324 -0.7156 -0.6280 -0.6024 -0.5528 -0.4621 -0.3978 -0.3856 -0.2288 -0.1727 0.8224 0.8962 1.6375 1.7025 2.2045 2.2907 2.6489 2.7197 3.1367 3.1712 3.4173 3.4437 3.7108 3.7943 3.8889 3.9229 4.3979 4.4559 4.6632 4.6669 7.7247 7.7711 8.6634 8.6918 8.9434 8.9954 9.7742 9.8477 k = 0.0000 0.0000 0.5761 ( 5614 PWs) bands (ev): -7.8228 -7.8204 -7.2988 -7.2957 -7.2154 -7.2139 -7.0580 -7.0548 -2.1954 -2.1897 -2.1525 -2.1320 -0.7262 -0.7034 -0.6330 -0.6061 -0.5573 -0.4654 -0.4055 -0.3901 -0.2387 -0.1771 0.7678 0.8415 1.6556 1.7285 2.1569 2.2467 2.6838 2.7571 3.1911 3.2340 3.4625 3.4879 3.7088 3.8069 3.9107 3.9382 4.4197 4.4827 4.6580 4.6618 7.6725 7.7231 8.6525 8.6815 8.9321 8.9836 9.7590 9.8269 k = 0.0000 0.0000 0.5975 ( 5614 PWs) bands (ev): -7.7948 -7.7922 -7.3116 -7.3083 -7.2236 -7.2220 -7.0687 -7.0656 -2.1952 -2.1884 -2.1529 -2.1337 -0.7224 -0.6919 -0.6376 -0.6110 -0.5615 -0.4704 -0.4123 -0.3917 -0.2444 -0.1781 0.7142 0.7868 1.6768 1.7579 2.1101 2.2045 2.7057 2.7786 3.2436 3.2930 3.5056 3.5416 3.7173 3.8272 3.9319 3.9559 4.4403 4.5081 4.6527 4.6597 7.6084 7.6604 8.6392 8.6655 8.9271 8.9784 9.7473 9.8090 k = 0.0000 0.0000 0.6188 ( 5618 PWs) bands (ev): -7.7668 -7.7641 -7.3243 -7.3208 -7.2313 -7.2296 -7.0795 -7.0765 -2.1948 -2.1870 -2.1535 -2.1356 -0.7197 -0.6836 -0.6412 -0.6169 -0.5652 -0.4769 -0.4174 -0.3913 -0.2457 -0.1759 0.6618 0.7325 1.6998 1.7901 2.0656 2.1662 2.7146 2.7847 3.2911 3.3407 3.5587 3.5995 3.7362 3.8509 3.9541 3.9785 4.4588 4.5315 4.6479 4.6598 7.5350 7.5859 8.6222 8.6437 8.9288 8.9801 9.7397 9.7946 k = 0.0000 0.0000 0.6401 ( 5622 PWs) bands (ev): -7.7391 -7.7362 -7.3369 -7.3333 -7.2385 -7.2368 -7.0902 -7.0874 -2.1941 -2.1854 -2.1543 -2.1378 -0.7175 -0.6795 -0.6432 -0.6237 -0.5680 -0.4845 -0.4202 -0.3900 -0.2425 -0.1708 0.6113 0.6793 1.7231 1.8239 2.0247 2.1339 2.7110 2.7767 3.3325 3.3755 3.6241 3.6584 3.7617 3.8755 3.9780 4.0090 4.4748 4.5525 4.6439 4.6617 7.4550 7.5029 8.5998 8.6165 8.9376 8.9887 9.7361 9.7841 k = 0.0000 0.0000 0.6615 ( 5626 PWs) bands (ev): -7.7118 -7.7087 -7.3497 -7.3459 -7.2453 -7.2436 -7.1006 -7.0981 -2.1931 -2.1838 -2.1553 -2.1401 -0.7158 -0.6797 -0.6439 -0.6308 -0.5697 -0.4928 -0.4208 -0.3884 -0.2350 -0.1632 0.5631 0.6276 1.7449 1.8573 1.9898 2.1098 2.6961 2.7568 3.3689 3.4027 3.6841 3.7230 3.7871 3.9058 4.0050 4.0473 4.4882 4.5705 4.6404 4.6650 7.3713 7.4150 8.5720 8.5851 8.9531 9.0030 9.7358 9.7770 k = 0.0000 0.0000 0.6828 ( 5626 PWs) bands (ev): -7.6850 -7.6818 -7.3625 -7.3586 -7.2514 -7.2497 -7.1106 -7.1083 -2.1918 -2.1821 -2.1565 -2.1427 -0.7144 -0.6825 -0.6445 -0.6379 -0.5701 -0.5015 -0.4194 -0.3871 -0.2234 -0.1537 0.5176 0.5780 1.7630 1.8823 1.9685 2.0960 2.6717 2.7276 3.4021 3.4276 3.7183 3.7954 3.8087 3.9507 4.0363 4.0902 4.4992 4.5850 4.6377 4.6692 7.2871 7.3259 8.5404 8.5512 8.9739 9.0211 9.7379 9.7727 k = 0.0000 0.0000 0.7042 ( 5622 PWs) bands (ev): -7.6591 -7.6558 -7.3754 -7.3715 -7.2569 -7.2553 -7.1198 -7.1178 -2.1902 -2.1805 -2.1578 -2.1453 -0.7132 -0.6866 -0.6467 -0.6438 -0.5693 -0.5101 -0.4167 -0.3863 -0.2085 -0.1429 0.4757 0.5310 1.7757 1.8822 1.9777 2.0940 2.6400 2.6915 3.4330 3.4533 3.7337 3.8021 3.8860 4.0081 4.0719 4.1337 4.5084 4.5952 4.6361 4.6734 7.2054 7.2388 8.5074 8.5167 8.9981 9.0412 9.7416 9.7703 k = 0.0000 0.0000 0.7255 ( 5618 PWs) bands (ev): -7.6344 -7.6311 -7.3885 -7.3846 -7.2618 -7.2603 -7.1281 -7.1264 -2.1884 -2.1788 -2.1592 -2.1481 -0.7122 -0.6910 -0.6516 -0.6470 -0.5676 -0.5183 -0.4132 -0.3862 -0.1911 -0.1317 0.4380 0.4873 1.7825 1.8640 2.0100 2.1036 2.6035 2.6508 3.4622 3.4802 3.7372 3.7945 3.9650 4.0672 4.1110 4.1747 4.5168 4.6003 4.6363 4.6768 7.1292 7.1571 8.4754 8.4833 9.0238 9.0615 9.7458 9.7690 k = 0.0000 0.0000 0.7468 ( 5624 PWs) bands (ev): -7.6112 -7.6079 -7.4015 -7.3978 -7.2658 -7.2645 -7.1352 -7.1338 -2.1864 -2.1774 -2.1605 -2.1508 -0.7114 -0.6951 -0.6563 -0.6500 -0.5652 -0.5260 -0.4092 -0.3866 -0.1723 -0.1211 0.4056 0.4478 1.7848 1.8432 2.0490 2.1223 2.5649 2.6080 3.4899 3.5075 3.7332 3.7809 4.0372 4.1181 4.1533 4.2104 4.5256 4.6001 4.6384 4.6784 7.0616 7.0840 8.4465 8.4531 9.0489 9.0802 9.7501 9.7682 k = 0.0000 0.0000 0.7682 ( 5632 PWs) bands (ev): -7.5902 -7.5872 -7.4140 -7.4106 -7.2690 -7.2679 -7.1409 -7.1399 -2.1842 -2.1764 -2.1615 -2.1535 -0.7107 -0.6989 -0.6596 -0.6531 -0.5621 -0.5330 -0.4051 -0.3877 -0.1535 -0.1125 0.3798 0.4135 1.7848 1.8247 2.0890 2.1456 2.5275 2.5654 3.5160 3.5333 3.7251 3.7639 4.0992 4.1567 4.1950 4.2382 4.5358 4.5962 4.6419 4.6775 7.0057 7.0225 8.4224 8.4275 9.0717 9.0958 9.7540 9.7673 k = 0.0000 0.0000 0.7895 ( 5640 PWs) bands (ev): -7.5726 -7.5702 -7.4250 -7.4223 -7.2712 -7.2705 -7.1450 -7.1444 -2.1820 -2.1761 -2.1619 -2.1560 -0.7098 -0.7022 -0.6613 -0.6561 -0.5586 -0.5394 -0.4012 -0.3894 -0.1361 -0.1073 0.3619 0.3856 1.7847 1.8095 2.1267 2.1673 2.4962 2.5262 3.5396 3.5548 3.7166 3.7456 4.1485 4.1842 4.2288 4.2563 4.5478 4.5899 4.6463 4.6736 6.9642 6.9754 8.4045 8.4080 9.0904 9.1068 9.7574 9.7661 k = 0.0000 0.0000 0.8109 ( 5632 PWs) bands (ev): -7.5601 -7.5586 -7.4328 -7.4312 -7.2725 -7.2722 -7.1475 -7.1472 -2.1799 -2.1766 -2.1614 -2.1583 -0.7087 -0.7049 -0.6616 -0.6587 -0.5546 -0.5450 -0.3976 -0.3917 -0.1217 -0.1067 0.3532 0.3655 1.7863 1.7982 2.1580 2.1802 2.4772 2.4945 3.5584 3.5680 3.7122 3.7285 4.1826 4.1997 4.2513 4.2642 4.5604 4.5818 4.6522 4.6672 6.9394 6.9450 8.3938 8.3956 9.1039 9.1122 9.7602 9.7645 k = 0.0000 0.0000 0.8322 ( 5640 PWs) bands (ev): -7.5550 -7.5550 -7.4352 -7.4352 -7.2728 -7.2728 -7.1482 -7.1482 -2.1780 -2.1780 -2.1601 -2.1601 -0.7071 -0.7071 -0.6607 -0.6607 -0.5501 -0.5501 -0.3944 -0.3944 -0.1116 -0.1116 0.3544 0.3544 1.7905 1.7905 2.1774 2.1774 2.4765 2.4765 3.5691 3.5691 3.7162 3.7162 4.1998 4.1998 4.2626 4.2626 4.5720 4.5720 4.6595 4.6595 6.9328 6.9328 8.3907 8.3907 9.1113 9.1113 9.7625 9.7625 k = 0.0000 0.0000 0.8322 ( 5640 PWs) bands (ev): -7.5550 -7.5550 -7.4352 -7.4352 -7.2728 -7.2728 -7.1482 -7.1482 -2.1780 -2.1780 -2.1601 -2.1601 -0.7071 -0.7071 -0.6607 -0.6607 -0.5501 -0.5501 -0.3944 -0.3944 -0.1116 -0.1116 0.3544 0.3544 1.7905 1.7905 2.1774 2.1774 2.4765 2.4765 3.5691 3.5691 3.7162 3.7162 4.1998 4.1998 4.2626 4.2626 4.5720 4.5720 4.6595 4.6595 6.9328 6.9328 8.3907 8.3907 9.1113 9.1113 9.7625 9.7625 k =-0.0128 0.0171 0.8322 ( 5640 PWs) bands (ev): -7.5550 -7.5546 -7.4358 -7.4354 -7.2727 -7.2726 -7.1485 -7.1482 -2.1798 -2.1766 -2.1650 -2.1560 -0.7218 -0.7041 -0.6607 -0.6515 -0.5603 -0.5349 -0.3977 -0.3880 -0.1127 -0.1079 0.3502 0.3587 1.7899 1.7918 2.1758 2.1793 2.4751 2.4785 3.5626 3.5716 3.7092 3.7165 4.1946 4.2031 4.2578 4.2660 4.5583 4.5734 4.6574 4.6666 6.9357 6.9380 8.3924 8.3938 9.1126 9.1195 9.7639 9.7664 k =-0.0257 0.0342 0.8322 ( 5628 PWs) bands (ev): -7.5546 -7.5538 -7.4375 -7.4366 -7.2721 -7.2720 -7.1490 -7.1484 -2.1818 -2.1760 -2.1700 -2.1528 -0.7422 -0.7106 -0.6552 -0.6382 -0.5640 -0.5164 -0.3979 -0.3778 -0.1114 -0.1017 0.3463 0.3634 1.7899 1.7936 2.1743 2.1813 2.4745 2.4813 3.5522 3.5702 3.6958 3.7103 4.1877 4.2045 4.2519 4.2677 4.5363 4.5627 4.6603 4.6752 6.9465 6.9510 8.3987 8.4016 9.1231 9.1370 9.7704 9.7755 k =-0.0385 0.0512 0.8322 ( 5628 PWs) bands (ev): -7.5540 -7.5527 -7.4400 -7.4388 -7.2710 -7.2709 -7.1496 -7.1487 -2.1840 -2.1790 -2.1722 -2.1504 -0.7644 -0.7195 -0.6516 -0.6244 -0.5609 -0.4972 -0.3942 -0.3626 -0.1076 -0.0929 0.3425 0.3683 1.7905 1.7960 2.1731 2.1836 2.4747 2.4848 3.5381 3.5647 3.6762 3.6975 4.1791 4.2036 4.2451 4.2677 4.5094 4.5442 4.6644 4.6822 6.9650 6.9713 8.4094 8.4140 9.1417 9.1627 9.7814 9.7891 k =-0.0514 0.0683 0.8322 ( 5632 PWs) bands (ev): -7.5530 -7.5513 -7.4435 -7.4420 -7.2695 -7.2694 -7.1504 -7.1493 -2.1867 -2.1850 -2.1718 -2.1489 -0.7868 -0.7284 -0.6515 -0.6118 -0.5526 -0.4803 -0.3847 -0.3410 -0.1013 -0.0814 0.3387 0.3735 1.7918 1.7989 2.1722 2.1861 2.4755 2.4890 3.5203 3.5551 3.6509 3.6785 4.1688 4.2003 4.2380 4.2660 4.4798 4.5214 4.6667 4.6861 6.9908 6.9986 8.4243 8.4310 9.1668 9.1953 9.7956 9.8063 k =-0.0642 0.0854 0.8322 ( 5630 PWs) bands (ev): -7.5517 -7.5497 -7.4480 -7.4461 -7.2675 -7.2673 -7.1514 -7.1499 -2.1930 -2.1884 -2.1714 -2.1483 -0.8085 -0.7366 -0.6536 -0.6007 -0.5420 -0.4683 -0.3675 -0.3127 -0.0926 -0.0671 0.3348 0.3789 1.7937 1.8025 2.1715 2.1888 2.4770 2.4937 3.4990 3.5413 3.6209 3.6537 4.1571 4.1943 4.2309 4.2625 4.4490 4.4964 4.6661 4.6863 7.0231 7.0319 8.4431 8.4521 9.1959 9.2322 9.8112 9.8254 k =-0.0770 0.1025 0.8322 ( 5630 PWs) bands (ev): -7.5503 -7.5480 -7.4533 -7.4512 -7.2648 -7.2647 -7.1524 -7.1507 -2.2005 -2.1910 -2.1711 -2.1483 -0.8290 -0.7443 -0.6562 -0.5914 -0.5318 -0.4614 -0.3420 -0.2781 -0.0814 -0.0497 0.3309 0.3845 1.7963 1.8067 2.1711 2.1918 2.4790 2.4990 3.4744 3.5224 3.5879 3.6239 4.1440 4.1856 4.2241 4.2574 4.4182 4.4704 4.6622 4.6826 7.0612 7.0707 8.4654 8.4770 9.2260 9.2703 9.8250 9.8437 k =-0.0899 0.1196 0.8322 ( 5630 PWs) bands (ev): -7.5489 -7.5463 -7.4595 -7.4571 -7.2616 -7.2615 -7.1535 -7.1515 -2.2083 -2.1937 -2.1712 -2.1488 -0.8480 -0.7516 -0.6585 -0.5840 -0.5230 -0.4582 -0.3092 -0.2390 -0.0678 -0.0290 0.3267 0.3903 1.7996 1.8115 2.1710 2.1951 2.4815 2.5047 3.4464 3.4964 3.5550 3.5900 4.1296 4.1744 4.2173 4.2506 4.3882 4.4444 4.6550 4.6751 7.1041 7.1139 8.4905 8.5051 9.2536 9.3057 9.8319 9.8573 k =-0.1027 0.1367 0.8322 ( 5638 PWs) bands (ev): -7.5475 -7.5447 -7.4665 -7.4639 -7.2578 -7.2576 -7.1544 -7.1522 -2.2160 -2.1965 -2.1718 -2.1498 -0.8656 -0.7587 -0.6601 -0.5784 -0.5157 -0.4572 -0.2705 -0.1971 -0.0517 -0.0047 0.3222 0.3961 1.8037 1.8171 2.1712 2.1987 2.4845 2.5107 3.4148 3.4615 3.5256 3.5534 4.1142 4.1611 4.2102 4.2423 4.3596 4.4187 4.6449 4.6640 7.1510 7.1607 8.5177 8.5358 9.2754 9.3339 9.8255 9.8609 k =-0.1156 0.1537 0.8322 ( 5626 PWs) bands (ev): -7.5464 -7.5434 -7.4741 -7.4714 -7.2533 -7.2531 -7.1552 -7.1527 -2.2235 -2.1994 -2.1729 -2.1509 -0.8816 -0.7658 -0.6607 -0.5749 -0.5096 -0.4574 -0.2273 -0.1542 -0.0331 0.0236 0.3176 0.4021 1.8086 1.8235 2.1717 2.2028 2.4878 2.5170 3.3790 3.4191 3.5000 3.5159 4.0977 4.1462 4.2027 4.2326 4.3328 4.3939 4.6321 4.6500 7.2008 7.2103 8.5461 8.5680 9.2886 9.3510 9.8010 9.8499 k =-0.1284 0.1708 0.8322 ( 5620 PWs) bands (ev): -7.5457 -7.5427 -7.4820 -7.4794 -7.2482 -7.2479 -7.1557 -7.1530 -2.2307 -2.2024 -2.1746 -2.1520 -0.8960 -0.7730 -0.6604 -0.5734 -0.5044 -0.4584 -0.1812 -0.1117 -0.0116 0.0560 0.3130 0.4080 1.8144 1.8308 2.1727 2.2072 2.4913 2.5234 3.3385 3.3726 3.4763 3.4795 4.0804 4.1297 4.1946 4.2217 4.3082 4.3701 4.6168 4.6334 7.2526 7.2618 8.5746 8.6008 9.2917 9.3550 9.7591 9.8226 k =-0.1412 0.1879 0.8322 ( 5632 PWs) bands (ev): -7.5458 -7.5429 -7.4901 -7.4877 -7.2426 -7.2421 -7.1559 -7.1530 -2.2375 -2.2055 -2.1769 -2.1529 -0.9089 -0.7802 -0.6593 -0.5739 -0.4996 -0.4596 -0.1341 -0.0709 0.0134 0.0921 0.3090 0.4140 1.8212 1.8392 2.1740 2.2122 2.4949 2.5298 3.2933 3.3244 3.4447 3.4546 4.0623 4.1121 4.1858 4.2096 4.2857 4.3474 4.5995 4.6150 7.3054 7.3142 8.6020 8.6328 9.2844 9.3462 9.7028 9.7796 k =-0.1412 0.1879 0.8322 ( 5632 PWs) bands (ev): -7.5458 -7.5429 -7.4901 -7.4877 -7.2426 -7.2421 -7.1559 -7.1530 -2.2375 -2.2055 -2.1769 -2.1529 -0.9089 -0.7802 -0.6593 -0.5739 -0.4996 -0.4596 -0.1341 -0.0709 0.0134 0.0921 0.3090 0.4140 1.8212 1.8392 2.1740 2.2122 2.4949 2.5298 3.2933 3.3244 3.4447 3.4546 4.0623 4.1121 4.1858 4.2096 4.2857 4.3474 4.5995 4.6150 7.3054 7.3142 8.6020 8.6328 9.2844 9.3462 9.7028 9.7796 k =-0.1502 0.1998 0.8173 ( 5627 PWs) bands (ev): -7.5420 -7.5386 -7.5043 -7.5011 -7.2293 -7.2285 -7.1613 -7.1585 -2.2417 -2.2070 -2.1785 -2.1549 -0.9168 -0.7869 -0.6567 -0.5746 -0.4987 -0.4646 -0.1019 -0.0434 0.0556 0.1416 0.2883 0.3954 1.8288 1.8440 2.1684 2.2172 2.5036 2.5307 3.2496 3.2837 3.4443 3.4522 4.0406 4.0837 4.1891 4.2031 4.2852 4.3330 4.5778 4.5888 7.3410 7.3508 8.6262 8.6592 9.2676 9.3239 9.6475 9.7334 k =-0.1592 0.2118 0.8023 ( 5628 PWs) bands (ev): -7.5405 -7.5361 -7.5175 -7.5132 -7.2157 -7.2147 -7.1659 -7.1632 -2.2456 -2.2086 -2.1801 -2.1567 -0.9237 -0.7936 -0.6531 -0.5759 -0.4991 -0.4687 -0.0694 -0.0162 0.1004 0.1928 0.2694 0.3776 1.8372 1.8514 2.1566 2.2150 2.5179 2.5378 3.2080 3.2448 3.4431 3.4495 4.0039 4.0423 4.1815 4.1911 4.2976 4.3292 4.5568 4.5611 7.3829 7.3935 8.6514 8.6867 9.2447 9.2954 9.5872 9.6790 k =-0.1681 0.2237 0.7874 ( 5624 PWs) bands (ev): -7.5429 -7.5386 -7.5264 -7.5221 -7.2034 -7.2025 -7.1682 -7.1659 -2.2493 -2.2103 -2.1817 -2.1583 -0.9296 -0.8002 -0.6487 -0.5777 -0.5018 -0.4709 -0.0367 0.0103 0.1460 0.2447 0.2543 0.3611 1.8461 1.8611 2.1403 2.2067 2.5350 2.5495 3.1697 3.2089 3.4410 3.4461 3.9563 3.9918 4.1663 4.1719 4.3139 4.3350 4.5335 4.5384 7.4302 7.4414 8.6765 8.7138 9.2171 9.2625 9.5242 9.6191 k =-0.1771 0.2356 0.7725 ( 5621 PWs) bands (ev): -7.5506 -7.5488 -7.5278 -7.5262 -7.1959 -7.1958 -7.1644 -7.1634 -2.2526 -2.2122 -2.1833 -2.1598 -0.9346 -0.8066 -0.6436 -0.5799 -0.5071 -0.4712 -0.0040 0.0357 0.1875 0.2468 0.2972 0.3475 1.8556 1.8729 2.1214 2.1939 2.5524 2.5635 3.1360 3.1770 3.4378 3.4416 3.9015 3.9358 4.1423 4.1469 4.3296 4.3473 4.5077 4.5243 7.4818 7.4936 8.6997 8.7386 9.1862 9.2270 9.4609 9.5570 k =-0.1861 0.2476 0.7575 ( 5619 PWs) bands (ev): -7.5614 -7.5606 -7.5275 -7.5274 -7.1965 -7.1953 -7.1536 -7.1531 -2.2557 -2.2143 -2.1849 -2.1610 -0.9386 -0.8129 -0.6379 -0.5821 -0.5145 -0.4701 0.0276 0.0590 0.2081 0.2638 0.3280 0.3596 1.8655 1.8863 2.1011 2.1780 2.5680 2.5772 3.1083 3.1500 3.4329 3.4359 3.8425 3.8768 4.1084 4.1172 4.3440 4.3620 4.4851 4.5159 7.5367 7.5489 8.7187 8.7588 9.1537 9.1908 9.4000 9.4959 k =-0.1950 0.2595 0.7426 ( 5620 PWs) bands (ev): -7.5732 -7.5719 -7.5281 -7.5271 -7.2004 -7.1987 -7.1398 -7.1385 -2.2584 -2.2165 -2.1865 -2.1619 -0.9418 -0.8188 -0.6320 -0.5843 -0.5233 -0.4683 0.0540 0.0814 0.2135 0.2871 0.3388 0.4103 1.8759 1.9010 2.0804 2.1603 2.5802 2.5884 3.0879 3.1287 3.4249 3.4295 3.7818 3.8167 4.0676 4.0812 4.3568 4.3765 4.4669 4.5139 7.5937 7.6063 8.7310 8.7713 9.1216 9.1563 9.3441 9.4388 k =-0.2040 0.2714 0.7277 ( 5622 PWs) bands (ev): -7.5847 -7.5829 -7.5285 -7.5269 -7.2054 -7.2035 -7.1248 -7.1231 -2.2608 -2.2188 -2.1882 -2.1625 -0.9442 -0.8244 -0.6261 -0.5862 -0.5328 -0.4662 0.0673 0.1079 0.2234 0.2858 0.3786 0.4635 1.8864 1.9166 2.0602 2.1421 2.5875 2.5959 3.0755 3.1135 3.4126 3.4217 3.7217 3.7571 4.0217 4.0394 4.3666 4.3904 4.4537 4.5178 7.6519 7.6648 8.7334 8.7725 9.0918 9.1257 9.2961 9.3887 k =-0.2130 0.2834 0.7128 ( 5624 PWs) bands (ev): -7.5957 -7.5934 -7.5289 -7.5269 -7.2107 -7.2087 -7.1097 -7.1076 -2.2629 -2.2211 -2.1900 -2.1628 -0.9458 -0.8294 -0.6208 -0.5873 -0.5428 -0.4641 0.0680 0.1369 0.2412 0.2785 0.4281 0.5163 1.8970 1.9327 2.0414 2.1242 2.5879 2.6002 3.0713 3.1047 3.3949 3.4111 3.6644 3.7002 3.9725 3.9929 4.3725 4.4035 4.4462 4.5265 7.7101 7.7233 8.7236 8.7599 9.0657 9.1004 9.2589 9.3483 k =-0.2220 0.2953 0.6978 ( 5624 PWs) bands (ev): -7.6060 -7.6034 -7.5292 -7.5269 -7.2161 -7.2141 -7.0949 -7.0926 -2.2647 -2.2235 -2.1920 -2.1627 -0.9469 -0.8339 -0.6171 -0.5872 -0.5527 -0.4622 0.0616 0.1628 0.2634 0.2762 0.4791 0.5677 1.9070 1.9488 2.0248 2.1078 2.5812 2.6013 3.0739 3.1027 3.3698 3.3958 3.6120 3.6485 3.9218 3.9435 4.3751 4.4133 4.4459 4.5385 7.7673 7.7809 8.7012 8.7335 9.0425 9.0795 9.2347 9.3196 k =-0.2309 0.3072 0.6829 ( 5632 PWs) bands (ev): -7.6156 -7.6127 -7.5295 -7.5268 -7.2214 -7.2195 -7.0807 -7.0782 -2.2662 -2.2259 -2.1940 -2.1624 -0.9474 -0.8376 -0.6155 -0.5866 -0.5610 -0.4604 0.0516 0.1796 0.2769 0.2954 0.5297 0.6172 1.9158 1.9634 2.0124 2.0943 2.5690 2.5992 3.0803 3.1077 3.3361 3.3734 3.5667 3.6051 3.8713 3.8930 4.3755 4.4179 4.4541 4.5525 7.8225 7.8365 8.6684 8.6961 9.0206 9.0604 9.2246 9.3035 k =-0.2399 0.3192 0.6680 ( 5624 PWs) bands (ev): -7.6245 -7.6214 -7.5296 -7.5267 -7.2267 -7.2248 -7.0674 -7.0646 -2.2674 -2.2283 -2.1960 -2.1617 -0.9475 -0.8405 -0.6163 -0.5883 -0.5644 -0.4589 0.0399 0.1838 0.2949 0.3241 0.5786 0.6640 1.9225 1.9724 2.0084 2.0856 2.5527 2.5943 3.0874 3.1193 3.2946 3.3413 3.5302 3.5710 3.8226 3.8431 4.3744 4.4194 4.4674 4.5674 7.8748 7.8893 8.6289 8.6519 8.9993 9.0407 9.2273 9.2987 k =-0.2489 0.3311 0.6531 ( 5622 PWs) bands (ev): -7.6327 -7.6293 -7.5295 -7.5265 -7.2318 -7.2299 -7.0549 -7.0521 -2.2683 -2.2305 -2.1982 -2.1609 -0.9473 -0.8423 -0.6193 -0.5944 -0.5613 -0.4576 0.0275 0.1791 0.3207 0.3538 0.6251 0.7075 1.9263 1.9724 2.0158 2.0838 2.5340 2.5871 3.0929 3.1333 3.2499 3.2998 3.5032 3.5449 3.7772 3.7954 4.3727 4.4202 4.4826 4.5825 7.9236 7.9386 8.5864 8.6049 8.9787 9.0203 9.2398 9.3025 k =-0.2578 0.3430 0.6381 ( 5617 PWs) bands (ev): -7.6400 -7.6365 -7.5292 -7.5260 -7.2366 -7.2348 -7.0436 -7.0406 -2.2690 -2.2326 -2.2003 -2.1598 -0.9471 -0.8430 -0.6248 -0.6014 -0.5547 -0.4565 0.0149 0.1699 0.3498 0.3832 0.6683 0.7470 1.9273 1.9686 2.0289 2.0903 2.5143 2.5782 3.0928 3.1384 3.2143 3.2543 3.4837 3.5238 3.7363 3.7517 4.3704 4.4210 4.4984 4.5972 7.9680 7.9838 8.5438 8.5582 8.9596 9.0001 9.2587 9.3119 k =-0.2668 0.3550 0.6232 ( 5623 PWs) bands (ev): -7.6466 -7.6428 -7.5287 -7.5253 -7.2413 -7.2395 -7.0334 -7.0303 -2.2696 -2.2346 -2.2024 -2.1586 -0.9469 -0.8424 -0.6329 -0.6069 -0.5466 -0.4557 0.0025 0.1587 0.3793 0.4115 0.7072 0.7821 1.9270 1.9644 2.0444 2.1048 2.4947 2.5683 3.0729 3.1222 3.1919 3.2305 3.4692 3.5054 3.7007 3.7134 4.3680 4.4217 4.5143 4.6111 8.0076 8.0244 8.5033 8.5145 8.9425 8.9811 9.2813 9.3241 k =-0.2758 0.3669 0.6083 ( 5618 PWs) bands (ev): -7.6523 -7.6484 -7.5278 -7.5244 -7.2457 -7.2440 -7.0245 -7.0213 -2.2700 -2.2362 -2.2045 -2.1573 -0.9469 -0.8404 -0.6431 -0.6106 -0.5379 -0.4551 -0.0097 0.1466 0.4075 0.4382 0.7410 0.8122 1.9271 1.9608 2.0621 2.1251 2.4763 2.5579 3.0261 3.0888 3.1714 3.2455 3.4579 3.4882 3.6707 3.6819 4.3654 4.4223 4.5300 4.6240 8.0420 8.0601 8.4661 8.4761 8.9277 8.9639 9.3053 9.3375 k =-0.2847 0.3788 0.5933 ( 5622 PWs) bands (ev): -7.6572 -7.6532 -7.5267 -7.5232 -7.2498 -7.2482 -7.0170 -7.0136 -2.2704 -2.2376 -2.2065 -2.1558 -0.9471 -0.8370 -0.6543 -0.6133 -0.5289 -0.4546 -0.0215 0.1339 0.4333 0.4626 0.7689 0.8374 1.9286 1.9584 2.0824 2.1495 2.4602 2.5478 2.9681 3.0363 3.1698 3.2704 3.4486 3.4717 3.6458 3.6580 4.3627 4.4226 4.5453 4.6356 8.0711 8.0909 8.4333 8.4449 8.9153 8.9491 9.3281 9.3508 k =-0.2937 0.3908 0.5784 ( 5618 PWs) bands (ev): -7.6613 -7.6571 -7.5252 -7.5217 -7.2536 -7.2520 -7.0108 -7.0074 -2.2707 -2.2386 -2.2084 -2.1544 -0.9477 -0.8322 -0.6658 -0.6153 -0.5197 -0.4544 -0.0330 0.1209 0.4558 0.4845 0.7903 0.8577 1.9316 1.9574 2.1052 2.1768 2.4473 2.5387 2.9068 2.9765 3.1762 3.2976 3.4404 3.4570 3.6261 3.6412 4.3600 4.4227 4.5599 4.6456 8.0949 8.1163 8.4063 8.4215 8.9050 8.9367 9.3464 9.3646 k =-0.3027 0.4027 0.5635 ( 5620 PWs) bands (ev): -7.6645 -7.6602 -7.5234 -7.5199 -7.2571 -7.2556 -7.0060 -7.0025 -2.2710 -2.2393 -2.2100 -2.1529 -0.9485 -0.8260 -0.6774 -0.6169 -0.5106 -0.4542 -0.0440 0.1077 0.4740 0.5033 0.8048 0.8733 1.9356 1.9580 2.1302 2.2063 2.4389 2.5315 2.8447 2.9155 3.1854 3.3244 3.4324 3.4466 3.6114 3.6304 4.3573 4.4225 4.5735 4.6538 8.1134 8.1365 8.3866 8.4060 8.8968 8.9267 9.3571 9.3790 k =-0.3116 0.4146 0.5486 ( 5628 PWs) bands (ev): -7.6668 -7.6625 -7.5213 -7.5178 -7.2603 -7.2589 -7.0026 -6.9991 -2.2714 -2.2396 -2.2115 -2.1515 -0.9495 -0.8186 -0.6887 -0.6180 -0.5016 -0.4542 -0.0545 0.0944 0.4873 0.5188 0.8124 0.8845 1.9399 1.9601 2.1570 2.2372 2.4359 2.5272 2.7835 2.8556 3.1960 3.3473 3.4268 3.4423 3.6012 3.6249 4.3545 4.4220 4.5860 4.6602 8.1269 8.1512 8.3750 8.3985 8.8904 8.9191 9.3614 9.3907 k =-0.3206 0.4266 0.5336 ( 5627 PWs) bands (ev): -7.6683 -7.6639 -7.5188 -7.5154 -7.2631 -7.2618 -7.0007 -6.9971 -2.2718 -2.2395 -2.2127 -2.1501 -0.9507 -0.8101 -0.6995 -0.6188 -0.4928 -0.4542 -0.0644 0.0812 0.4951 0.5303 0.8137 0.8915 1.9429 1.9637 2.1846 2.2686 2.4390 2.5264 2.7246 2.7985 3.2076 3.3591 3.4300 3.4451 3.5950 3.6238 4.3518 4.4213 4.5971 4.6646 8.1357 8.1607 8.3719 8.3990 8.8854 8.9136 9.3607 9.3967 k =-0.3206 0.4266 0.5336 ( 5627 PWs) bands (ev): -7.6683 -7.6639 -7.5188 -7.5154 -7.2631 -7.2618 -7.0007 -6.9971 -2.2718 -2.2395 -2.2127 -2.1501 -0.9507 -0.8101 -0.6995 -0.6188 -0.4928 -0.4542 -0.0644 0.0812 0.4951 0.5303 0.8137 0.8915 1.9429 1.9637 2.1846 2.2686 2.4390 2.5264 2.7246 2.7985 3.2076 3.3591 3.4300 3.4451 3.5950 3.6238 4.3518 4.4213 4.5971 4.6646 8.1357 8.1607 8.3719 8.3990 8.8854 8.9136 9.3607 9.3967 k =-0.3117 0.4147 0.5188 ( 5615 PWs) bands (ev): -7.6763 -7.6722 -7.5074 -7.5038 -7.2672 -7.2661 -6.9982 -6.9946 -2.2727 -2.2372 -2.2092 -2.1498 -0.9460 -0.8055 -0.6957 -0.6116 -0.4946 -0.4587 -0.0618 0.0713 0.4813 0.5194 0.8334 0.9165 1.9244 1.9398 2.1607 2.2430 2.4320 2.5238 2.7012 2.7740 3.1821 3.3441 3.4167 3.4535 3.5802 3.6405 4.3667 4.4351 4.6083 4.6749 8.1848 8.2112 8.4263 8.4511 8.9298 8.9614 9.3779 9.4116 k =-0.3028 0.4029 0.5040 ( 5613 PWs) bands (ev): -7.6881 -7.6844 -7.4945 -7.4907 -7.2685 -7.2678 -6.9957 -6.9920 -2.2730 -2.2348 -2.2054 -2.1496 -0.9407 -0.8014 -0.6920 -0.6046 -0.4981 -0.4623 -0.0628 0.0574 0.4666 0.5059 0.8605 0.9462 1.9056 1.9155 2.1368 2.2177 2.4262 2.5221 2.6779 2.7488 3.1576 3.3268 3.3965 3.4715 3.5745 3.6650 4.3767 4.4430 4.6179 4.6829 8.2293 8.2567 8.4835 8.5058 8.9665 9.0000 9.3932 9.4264 k =-0.2939 0.3910 0.4892 ( 5605 PWs) bands (ev): -7.7033 -7.7000 -7.4801 -7.4762 -7.2674 -7.2669 -6.9931 -6.9894 -2.2728 -2.2324 -2.2014 -2.1494 -0.9347 -0.7978 -0.6882 -0.5983 -0.5032 -0.4650 -0.0672 0.0405 0.4518 0.4908 0.8931 0.9793 1.8857 1.8916 2.1137 2.1932 2.4218 2.5213 2.6548 2.7229 3.1342 3.3039 3.3854 3.4854 3.5813 3.6944 4.3814 4.4447 4.6257 4.6887 8.2688 8.2967 8.5433 8.5631 8.9961 9.0300 9.4064 9.4402 k =-0.2850 0.3792 0.4743 ( 5609 PWs) bands (ev): -7.7214 -7.7186 -7.4646 -7.4605 -7.2640 -7.2638 -6.9906 -6.9868 -2.2720 -2.2301 -2.1972 -2.1492 -0.9280 -0.7948 -0.6841 -0.5933 -0.5090 -0.4669 -0.0745 0.0214 0.4370 0.4749 0.9290 1.0146 1.8626 1.8709 2.0919 2.1700 2.4183 2.5205 2.6327 2.6970 3.1120 3.2768 3.3835 3.4944 3.6007 3.7274 4.3807 4.4401 4.6317 4.6922 8.3028 8.3307 8.6056 8.6228 9.0196 9.0525 9.4176 9.4521 k =-0.2761 0.3673 0.4595 ( 5605 PWs) bands (ev): -7.7419 -7.7394 -7.4481 -7.4439 -7.2588 -7.2587 -6.9880 -6.9842 -2.2707 -2.2277 -2.1928 -2.1491 -0.9208 -0.7927 -0.6799 -0.5904 -0.5144 -0.4683 -0.0845 0.0013 0.4225 0.4586 0.9665 1.0511 1.8377 1.8525 2.0720 2.1482 2.4151 2.5181 2.6132 2.6718 3.0919 3.2491 3.3881 3.5011 3.6290 3.7633 4.3742 4.4295 4.6357 4.6933 8.3310 8.3582 8.6699 8.6845 9.0383 9.0694 9.4270 9.4614 k =-0.2672 0.3555 0.4447 ( 5605 PWs) bands (ev): -7.7643 -7.7622 -7.4308 -7.4266 -7.2522 -7.2519 -6.9854 -6.9817 -2.2689 -2.2254 -2.1883 -2.1491 -0.9131 -0.7914 -0.6756 -0.5904 -0.5180 -0.4696 -0.0971 -0.0186 0.4082 0.4422 1.0042 1.0877 1.8132 1.8354 2.0542 2.1281 2.4112 2.5115 2.5982 2.6481 3.0754 3.2236 3.3970 3.5076 3.6629 3.8018 4.3620 4.4133 4.6375 4.6923 8.3532 8.3792 8.7357 8.7480 9.0537 9.0823 9.4350 9.4682 k =-0.2583 0.3436 0.4299 ( 5611 PWs) bands (ev): -7.7882 -7.7863 -7.4130 -7.4087 -7.2442 -7.2437 -6.9829 -6.9791 -2.2666 -2.2230 -2.1837 -2.1492 -0.9051 -0.7909 -0.6713 -0.5938 -0.5189 -0.4707 -0.1123 -0.0372 0.3942 0.4260 1.0408 1.1234 1.7897 1.8199 2.0387 2.1099 2.4058 2.4988 2.5890 2.6266 3.0641 3.2021 3.4086 3.5146 3.7002 3.8423 4.3441 4.3920 4.6368 4.6894 8.3691 8.3932 8.8022 8.8126 9.0670 9.0927 9.4419 9.4729 k =-0.2494 0.3318 0.4150 ( 5615 PWs) bands (ev): -7.8131 -7.8115 -7.3946 -7.3904 -7.2353 -7.2346 -6.9803 -6.9766 -2.2638 -2.2206 -2.1791 -2.1493 -0.8969 -0.7911 -0.6675 -0.5999 -0.5173 -0.4717 -0.1300 -0.0536 0.3803 0.4100 1.0751 1.1572 1.7681 1.8064 2.0255 2.0937 2.3981 2.4805 2.5830 2.6087 3.0599 3.1864 3.4218 3.5216 3.7400 3.8846 4.3207 4.3662 4.6337 4.6847 8.3783 8.4000 8.8683 8.8778 9.0800 9.1020 9.4480 9.4760 k =-0.2405 0.3199 0.4002 ( 5615 PWs) bands (ev): -7.8387 -7.8373 -7.3759 -7.3717 -7.2255 -7.2247 -6.9778 -6.9742 -2.2606 -2.2181 -2.1745 -2.1496 -0.8890 -0.7918 -0.6647 -0.6075 -0.5140 -0.4725 -0.1496 -0.0677 0.3666 0.3943 1.1061 1.1882 1.7490 1.7954 2.0149 2.0798 2.3877 2.4588 2.5747 2.5971 3.0641 3.1777 3.4357 3.5282 3.7815 3.9284 4.2922 4.3364 4.6283 4.6789 8.3803 8.3995 8.9316 8.9424 9.0950 9.1113 9.4535 9.4775 k =-0.2316 0.3081 0.3854 ( 5619 PWs) bands (ev): -7.8648 -7.8636 -7.3570 -7.3528 -7.2151 -7.2142 -6.9754 -6.9718 -2.2570 -2.2157 -2.1700 -2.1499 -0.8817 -0.7925 -0.6639 -0.6149 -0.5099 -0.4729 -0.1700 -0.0797 0.3529 0.3788 1.1332 1.2155 1.7327 1.7869 2.0071 2.0686 2.3743 2.4351 2.5615 2.5915 3.0777 3.1774 3.4495 3.5335 3.8240 3.9732 4.2593 4.3032 4.6208 4.6723 8.3742 8.3913 8.9878 9.0041 9.1164 9.1225 9.4585 9.4771 k =-0.2226 0.2962 0.3706 ( 5629 PWs) bands (ev): -7.8910 -7.8900 -7.3379 -7.3337 -7.2042 -7.2032 -6.9730 -6.9695 -2.2530 -2.2132 -2.1657 -2.1502 -0.8758 -0.7924 -0.6660 -0.6208 -0.5057 -0.4724 -0.1905 -0.0897 0.3393 0.3637 1.1557 1.2383 1.7195 1.7807 2.0023 2.0606 2.3582 2.4105 2.5470 2.5873 3.1008 3.1858 3.4626 3.5369 3.8670 4.0185 4.2231 4.2669 4.6116 4.6656 8.3592 8.3754 9.0301 9.0574 9.1375 9.1521 9.4626 9.4729 k =-0.2137 0.2844 0.3558 ( 5609 PWs) bands (ev): -7.9173 -7.9164 -7.3187 -7.3147 -7.1931 -7.1920 -6.9706 -6.9673 -2.2486 -2.2107 -2.1617 -2.1506 -0.8723 -0.7905 -0.6712 -0.6246 -0.5020 -0.4708 -0.2101 -0.0982 0.3259 0.3488 1.1737 1.2562 1.7094 1.7762 2.0011 2.0562 2.3392 2.3858 2.5329 2.5823 3.1330 3.2031 3.4745 3.5377 3.9097 4.0626 4.1861 4.2284 4.6013 4.6595 8.3345 8.3514 9.0564 9.0943 9.1619 9.2008 9.4574 9.4687 k =-0.2048 0.2725 0.3409 ( 5615 PWs) bands (ev): -7.9434 -7.9426 -7.2995 -7.2956 -7.1817 -7.1806 -6.9684 -6.9651 -2.2440 -2.2082 -2.1582 -2.1507 -0.8720 -0.7862 -0.6789 -0.6271 -0.4990 -0.4679 -0.2282 -0.1054 0.3125 0.3342 1.1874 1.2691 1.7017 1.7725 2.0038 2.0559 2.3172 2.3615 2.5202 2.5765 3.1734 3.2284 3.4850 3.5354 3.9501 4.0964 4.1586 4.1887 4.5906 4.6544 8.2997 8.3187 9.0723 9.1143 9.1867 9.2508 9.4305 9.4740 k =-0.1959 0.2607 0.3261 ( 5623 PWs) bands (ev): -7.9691 -7.9685 -7.2805 -7.2767 -7.1703 -7.1692 -6.9662 -6.9630 -2.2392 -2.2057 -2.1557 -2.1502 -0.8750 -0.7791 -0.6877 -0.6292 -0.4968 -0.4639 -0.2443 -0.1113 0.2993 0.3199 1.1975 1.2776 1.6958 1.7684 2.0106 2.0599 2.2923 2.3382 2.5096 2.5702 3.2208 3.2602 3.4940 3.5301 3.9824 4.0894 4.1458 4.1802 4.5803 4.6510 8.2551 8.2768 9.0817 9.1255 9.1905 9.2690 9.4119 9.4882 k =-0.1870 0.2488 0.3113 ( 5625 PWs) bands (ev): -7.9944 -7.9938 -7.2616 -7.2579 -7.1590 -7.1578 -6.9641 -6.9611 -2.2341 -2.2032 -2.1548 -2.1483 -0.8809 -0.7700 -0.6968 -0.6314 -0.4952 -0.4594 -0.2579 -0.1161 0.2863 0.3060 1.2046 1.2823 1.6906 1.7633 2.0209 2.0679 2.2647 2.3159 2.5015 2.5643 3.2739 3.2956 3.5010 3.5236 3.9877 4.0719 4.1179 4.2219 4.5710 4.6496 8.2010 8.2253 9.0826 9.1304 9.1632 9.2208 9.4443 9.5174 k =-0.1781 0.2370 0.2965 ( 5629 PWs) bands (ev): -8.0191 -8.0186 -7.2430 -7.2395 -7.1477 -7.1465 -6.9621 -6.9592 -2.2290 -2.2007 -2.1550 -2.1458 -0.8889 -0.7605 -0.7050 -0.6338 -0.4940 -0.4550 -0.2688 -0.1198 0.2735 0.2924 1.2098 1.2845 1.6855 1.7569 2.0337 2.0793 2.2354 2.2948 2.4963 2.5594 3.3276 3.3341 3.4985 3.5265 3.9589 4.0424 4.1305 4.2679 4.5636 4.6506 8.1379 8.1645 9.0583 9.1119 9.1237 9.1622 9.4986 9.5573 k =-0.1692 0.2251 0.2816 ( 5625 PWs) bands (ev): -8.0430 -8.0426 -7.2247 -7.2213 -7.1366 -7.1354 -6.9602 -6.9575 -2.2237 -2.1983 -2.1555 -2.1434 -0.8983 -0.7536 -0.7097 -0.6362 -0.4931 -0.4510 -0.2766 -0.1224 0.2608 0.2792 1.2139 1.2850 1.6798 1.7491 2.0468 2.0926 2.2055 2.2754 2.4941 2.5561 3.3565 3.3932 3.4844 3.5462 3.9179 4.0025 4.1661 4.3143 4.5587 4.6542 8.0665 8.0947 8.9926 9.0282 9.1108 9.1464 9.5515 9.5969 k =-0.1603 0.2133 0.2668 ( 5625 PWs) bands (ev): -8.0663 -8.0659 -7.2067 -7.2036 -7.1257 -7.1246 -6.9584 -6.9559 -2.2185 -2.1960 -2.1560 -2.1413 -0.9083 -0.7542 -0.7064 -0.6382 -0.4927 -0.4481 -0.2812 -0.1240 0.2482 0.2665 1.2178 1.2849 1.6736 1.7402 2.0576 2.1049 2.1773 2.2588 2.4950 2.5548 3.3712 3.4546 3.4660 3.5797 3.8754 3.9631 4.2067 4.3597 4.5570 4.6603 7.9875 8.0167 8.9079 8.9344 9.0971 9.1354 9.5945 9.6298 k =-0.1514 0.2014 0.2520 ( 5633 PWs) bands (ev): -8.0886 -8.0883 -7.1893 -7.1863 -7.1152 -7.1141 -6.9567 -6.9544 -2.2132 -2.1937 -2.1566 -2.1395 -0.9187 -0.7623 -0.6955 -0.6396 -0.4929 -0.4463 -0.2826 -0.1246 0.2358 0.2541 1.2222 1.2851 1.6670 1.7308 2.0629 2.1082 2.1576 2.2464 2.4989 2.5558 3.3732 3.4454 3.5137 3.6225 3.8372 3.9290 4.2485 4.4034 4.5591 4.6689 7.9020 7.9314 8.8175 8.8401 9.0767 9.1175 9.6301 9.6605 k =-0.1425 0.1896 0.2372 ( 5635 PWs) bands (ev): -8.1100 -8.1097 -7.1723 -7.1696 -7.1050 -7.1039 -6.9552 -6.9531 -2.2081 -2.1915 -2.1572 -2.1382 -0.9290 -0.7741 -0.6811 -0.6399 -0.4938 -0.4457 -0.2811 -0.1242 0.2236 0.2422 1.2278 1.2862 1.6600 1.7210 2.0602 2.0912 2.1566 2.2393 2.5058 2.5594 3.3662 3.4242 3.5637 3.6613 3.8137 3.9067 4.2901 4.4439 4.5661 4.6797 7.8108 7.8399 8.7264 8.7475 9.0478 9.0906 9.6645 9.6934 k =-0.1336 0.1777 0.2223 ( 5621 PWs) bands (ev): -8.1304 -8.1302 -7.1560 -7.1534 -7.0953 -7.0942 -6.9538 -6.9519 -2.2031 -2.1893 -2.1577 -2.1372 -0.9389 -0.7877 -0.6655 -0.6387 -0.4956 -0.4462 -0.2771 -0.1229 0.2116 0.2306 1.2350 1.2888 1.6532 1.7114 2.0491 2.0636 2.1631 2.2362 2.5155 2.5657 3.3538 3.4035 3.5944 3.6720 3.8265 3.9062 4.3310 4.4796 4.5794 4.6924 7.7149 7.7433 8.6373 8.6576 9.0104 9.0542 9.7012 9.7301 k =-0.1247 0.1659 0.2075 ( 5609 PWs) bands (ev): -8.1497 -8.1495 -7.1402 -7.1379 -7.0859 -7.0849 -6.9525 -6.9508 -2.1982 -2.1873 -2.1581 -2.1367 -0.9482 -0.8022 -0.6512 -0.6346 -0.4982 -0.4474 -0.2711 -0.1208 0.1999 0.2193 1.2443 1.2933 1.6467 1.7023 2.0314 2.0337 2.1677 2.2343 2.5281 2.5749 3.3390 3.3841 3.5978 3.6530 3.8758 3.9348 4.3709 4.5087 4.6001 4.7067 7.6155 7.6426 8.5516 8.5711 8.9656 9.0093 9.7410 9.7706 k =-0.1158 0.1540 0.1927 ( 5597 PWs) bands (ev): -8.1680 -8.1678 -7.1252 -7.1232 -7.0771 -7.0761 -6.9514 -6.9499 -2.1936 -2.1854 -2.1584 -2.1367 -0.9567 -0.8172 -0.6425 -0.6236 -0.5015 -0.4489 -0.2636 -0.1181 0.1884 0.2083 1.2560 1.3000 1.6410 1.6938 2.0036 2.0091 2.1672 2.2305 2.5434 2.5868 3.3241 3.3668 3.5790 3.6233 3.9409 3.9874 4.4098 4.5317 4.6276 4.7223 7.5134 7.5390 8.4704 8.4889 8.9152 8.9577 9.7841 9.8144 k =-0.1069 0.1422 0.1779 ( 5601 PWs) bands (ev): -8.1850 -8.1848 -7.1110 -7.1091 -7.0688 -7.0679 -6.9505 -6.9492 -2.1893 -2.1836 -2.1586 -2.1370 -0.9644 -0.8322 -0.6376 -0.6079 -0.5056 -0.4507 -0.2550 -0.1149 0.1773 0.1976 1.2703 1.3092 1.6362 1.6863 1.9739 1.9841 2.1605 2.2224 2.5609 2.6010 3.3107 3.3521 3.5497 3.5900 4.0122 4.0529 4.4478 4.5511 4.6590 4.7387 7.4098 7.4334 8.3940 8.4114 8.8609 8.9015 9.8297 9.8609 k =-0.0980 0.1303 0.1631 ( 5611 PWs) bands (ev): -8.2008 -8.2007 -7.0975 -7.0959 -7.0611 -7.0602 -6.9497 -6.9486 -2.1852 -2.1818 -2.1587 -2.1377 -0.9710 -0.8471 -0.6333 -0.5914 -0.5102 -0.4525 -0.2455 -0.1113 0.1666 0.1870 1.2874 1.3211 1.6326 1.6801 1.9449 1.9575 2.1472 2.2089 2.5800 2.6169 3.3001 3.3403 3.5172 3.5555 4.0857 4.1235 4.4850 4.5698 4.6914 4.7557 7.3055 7.3271 8.3232 8.3392 8.8046 8.8427 9.8772 9.9091 k =-0.0891 0.1185 0.1482 ( 5617 PWs) bands (ev): -8.2154 -8.2153 -7.0849 -7.0836 -7.0539 -7.0531 -6.9491 -6.9482 -2.1814 -2.1801 -2.1587 -2.1388 -0.9766 -0.8617 -0.6288 -0.5752 -0.5150 -0.4542 -0.2353 -0.1077 0.1564 0.1767 1.3073 1.3358 1.6303 1.6753 1.9167 1.9303 2.1275 2.1896 2.6001 2.6338 3.2929 3.3315 3.4849 3.5215 4.1586 4.1945 4.5223 4.5896 4.7233 4.7730 7.2017 7.2211 8.2580 8.2725 8.7481 8.7833 9.9257 9.9582 k =-0.0802 0.1066 0.1334 ( 5621 PWs) bands (ev): -8.2287 -8.2286 -7.0733 -7.0722 -7.0473 -7.0466 -6.9487 -6.9479 -2.1784 -2.1779 -2.1587 -2.1402 -0.9810 -0.8759 -0.6239 -0.5602 -0.5197 -0.4558 -0.2247 -0.1043 0.1467 0.1667 1.3300 1.3532 1.6293 1.6723 1.8891 1.9033 2.1017 2.1648 2.6203 2.6508 3.2891 3.3257 3.4544 3.4890 4.2283 4.2626 4.5604 4.6120 4.7535 4.7902 7.0995 7.1165 8.1988 8.2117 8.6929 8.7249 9.9741 10.0072 k =-0.0712 0.0948 0.1186 ( 5629 PWs) bands (ev): -8.2407 -8.2405 -7.0626 -7.0617 -7.0414 -7.0407 -6.9484 -6.9478 -2.1767 -2.1748 -2.1586 -2.1419 -0.9843 -0.8895 -0.6188 -0.5478 -0.5229 -0.4572 -0.2136 -0.1014 0.1376 0.1570 1.3551 1.3735 1.6294 1.6715 1.8620 1.8773 2.0709 2.1353 2.6399 2.6672 3.2886 3.3225 3.4266 3.4587 4.2921 4.3246 4.6005 4.6387 4.7818 4.8072 7.0000 7.0146 8.1458 8.1570 8.6402 8.6689 10.0217 10.0550 k =-0.0623 0.0829 0.1038 ( 5625 PWs) bands (ev): -8.2513 -8.2512 -7.0530 -7.0523 -7.0360 -7.0354 -6.9483 -6.9479 -2.1750 -2.1719 -2.1585 -2.1438 -0.9864 -0.9024 -0.6134 -0.5420 -0.5209 -0.4584 -0.2021 -0.0991 0.1293 0.1476 1.3821 1.3968 1.6305 1.6731 1.8351 1.8530 2.0358 2.1019 2.6583 2.6825 3.2909 3.3214 3.4019 3.4312 4.3476 4.3776 4.6435 4.6706 4.8079 4.8238 6.9046 6.9169 8.0990 8.1085 8.5913 8.6166 10.0675 10.1004 k =-0.0534 0.0711 0.0889 ( 5623 PWs) bands (ev): -8.2605 -8.2604 -7.0445 -7.0440 -7.0313 -7.0308 -6.9484 -6.9481 -2.1733 -2.1694 -2.1585 -2.1459 -0.9874 -0.9146 -0.6079 -0.5439 -0.5125 -0.4596 -0.1903 -0.0979 0.1219 0.1388 1.4100 1.4234 1.6322 1.6775 1.8085 1.8309 1.9979 2.0657 2.6750 2.6961 3.2954 3.3217 3.3808 3.4068 4.3933 4.4197 4.6892 4.7076 4.8320 4.8399 6.8150 6.8250 8.0585 8.0664 8.5473 8.5691 10.1105 10.1420 k =-0.0445 0.0592 0.0741 ( 5623 PWs) bands (ev): -8.2684 -8.2683 -7.0372 -7.0368 -7.0273 -7.0268 -6.9485 -6.9483 -2.1714 -2.1673 -2.1584 -2.1482 -0.9872 -0.9260 -0.6023 -0.5484 -0.5029 -0.4608 -0.1783 -0.0979 0.1156 0.1306 1.4378 1.4532 1.6344 1.6847 1.7825 1.8112 1.9586 2.0279 2.6898 2.7076 3.3012 3.3227 3.3633 3.3857 4.4291 4.4510 4.7355 4.7471 4.8546 4.8558 6.7328 6.7407 8.0244 8.0308 8.5088 8.5271 10.1495 10.1781 k =-0.0356 0.0474 0.0593 ( 5619 PWs) bands (ev): -8.2748 -8.2748 -7.0312 -7.0309 -7.0238 -7.0234 -6.9488 -6.9487 -2.1695 -2.1654 -2.1585 -2.1505 -0.9858 -0.9365 -0.5968 -0.5536 -0.4942 -0.4620 -0.1662 -0.0994 0.1105 0.1232 1.4651 1.4850 1.6368 1.6942 1.7576 1.7941 1.9198 1.9896 2.7024 2.7168 3.3078 3.3236 3.3497 3.3681 4.4559 4.4730 4.7780 4.7845 4.8724 4.8765 6.6604 6.6663 7.9966 8.0015 8.4767 8.4914 10.1831 10.2071 k =-0.0267 0.0355 0.0445 ( 5623 PWs) bands (ev): -8.2799 -8.2798 -7.0266 -7.0264 -7.0209 -7.0206 -6.9491 -6.9490 -2.1675 -2.1639 -2.1586 -2.1529 -0.9834 -0.9461 -0.5912 -0.5589 -0.4866 -0.4635 -0.1544 -0.1026 0.1068 0.1168 1.4917 1.5160 1.6398 1.7048 1.7345 1.7793 1.8850 1.9521 2.7127 2.7237 3.3145 3.3239 3.3400 3.3541 4.4753 4.4877 4.8112 4.8150 4.8911 4.8980 6.6001 6.6043 7.9751 7.9787 8.4516 8.4626 10.2098 10.2281 k =-0.0178 0.0237 0.0296 ( 5607 PWs) bands (ev): -8.2835 -8.2834 -7.0234 -7.0233 -7.0186 -7.0184 -6.9494 -6.9493 -2.1655 -2.1626 -2.1588 -2.1552 -0.9798 -0.9548 -0.5858 -0.5643 -0.4802 -0.4654 -0.1429 -0.1076 0.1046 0.1115 1.5166 1.5418 1.6451 1.7120 1.7169 1.7653 1.8601 1.9170 2.7206 2.7280 3.3206 3.3235 3.3333 3.3438 4.4887 4.4967 4.8327 4.8355 4.9110 4.9176 6.5547 6.5573 7.9599 7.9623 8.4338 8.4412 10.2286 10.2408 k =-0.0089 0.0118 0.0148 ( 5609 PWs) bands (ev): -8.2856 -8.2856 -7.0217 -7.0216 -7.0170 -7.0169 -6.9495 -6.9495 -2.1635 -2.1619 -2.1590 -2.1574 -0.9751 -0.9626 -0.5804 -0.5697 -0.4751 -0.4678 -0.1322 -0.1143 0.1040 0.1075 1.5380 1.5553 1.6563 1.6938 1.7251 1.7500 1.8525 1.8863 2.7261 2.7298 3.3230 3.3257 3.3292 3.3370 4.4971 4.5010 4.8445 4.8460 4.9272 4.9310 6.5264 6.5277 7.9511 7.9522 8.4238 8.4275 10.2402 10.2463 k = 0.0000 0.0000 0.0000 ( 5613 PWs) bands (ev): -8.2863 -8.2863 -7.0211 -7.0211 -7.0164 -7.0164 -6.9496 -6.9496 -2.1620 -2.1620 -2.1588 -2.1588 -0.9693 -0.9693 -0.5750 -0.5750 -0.4710 -0.4710 -0.1226 -0.1226 0.1050 0.1050 1.5527 1.5527 1.6742 1.6742 1.7357 1.7357 1.8632 1.8632 2.7292 2.7292 3.3243 3.3243 3.3321 3.3321 4.5011 4.5011 4.8487 4.8487 4.9346 4.9346 6.5172 6.5172 7.9485 7.9485 8.4216 8.4216 10.2460 10.2460 k = 0.0000 0.0000 0.0000 ( 5613 PWs) bands (ev): -8.2863 -8.2863 -7.0211 -7.0211 -7.0164 -7.0164 -6.9496 -6.9496 -2.1620 -2.1620 -2.1588 -2.1588 -0.9693 -0.9693 -0.5750 -0.5750 -0.4710 -0.4710 -0.1226 -0.1226 0.1050 0.1050 1.5527 1.5527 1.6742 1.6742 1.7357 1.7357 1.8632 1.8632 2.7292 2.7292 3.3243 3.3243 3.3321 3.3321 4.5011 4.5011 4.8487 4.8487 4.9346 4.9346 6.5172 6.5172 7.9485 7.9485 8.4216 8.4216 10.2460 10.2460 k = 0.0167 0.0125-0.0000 ( 5625 PWs) bands (ev): -8.2856 -8.2856 -7.0211 -7.0211 -7.0164 -7.0164 -6.9507 -6.9507 -2.1649 -2.1649 -2.1563 -2.1563 -0.9691 -0.9691 -0.5745 -0.5745 -0.4714 -0.4714 -0.1221 -0.1221 0.1029 0.1029 1.5563 1.5563 1.6751 1.6751 1.7369 1.7369 1.8619 1.8619 2.7315 2.7315 3.3253 3.3253 3.3336 3.3336 4.4979 4.4979 4.8448 4.8448 4.9325 4.9325 6.5222 6.5222 7.9509 7.9509 8.4231 8.4231 10.2328 10.2328 k = 0.0333 0.0251-0.0000 ( 5625 PWs) bands (ev): -8.2834 -8.2834 -7.0212 -7.0212 -7.0165 -7.0165 -6.9541 -6.9541 -2.1692 -2.1692 -2.1530 -2.1530 -0.9685 -0.9685 -0.5728 -0.5728 -0.4725 -0.4725 -0.1209 -0.1209 0.0970 0.0970 1.5668 1.5668 1.6776 1.6776 1.7405 1.7405 1.8582 1.8582 2.7383 2.7383 3.3284 3.3284 3.3379 3.3379 4.4882 4.4882 4.8334 4.8334 4.9262 4.9262 6.5372 6.5372 7.9579 7.9579 8.4277 8.4277 10.1950 10.1950 k = 0.0500 0.0376-0.0000 ( 5617 PWs) bands (ev): -8.2797 -8.2797 -7.0214 -7.0214 -7.0166 -7.0166 -6.9598 -6.9598 -2.1739 -2.1739 -2.1501 -2.1501 -0.9675 -0.9675 -0.5702 -0.5702 -0.4745 -0.4745 -0.1188 -0.1188 0.0875 0.0875 1.5838 1.5838 1.6817 1.6817 1.7466 1.7466 1.8525 1.8525 2.7494 2.7494 3.3336 3.3336 3.3450 3.3450 4.4723 4.4723 4.8152 4.8152 4.9158 4.9158 6.5613 6.5613 7.9693 7.9693 8.4354 8.4354 10.1365 10.1365 k = 0.0667 0.0501-0.0000 ( 5609 PWs) bands (ev): -8.2745 -8.2745 -7.0216 -7.0216 -7.0168 -7.0168 -6.9676 -6.9676 -2.1789 -2.1789 -2.1477 -2.1477 -0.9661 -0.9661 -0.5667 -0.5667 -0.4771 -0.4771 -0.1161 -0.1161 0.0752 0.0752 1.6064 1.6064 1.6873 1.6873 1.7552 1.7552 1.8454 1.8454 2.7646 2.7646 3.3410 3.3410 3.3546 3.3546 4.4501 4.4501 4.7911 4.7911 4.9013 4.9013 6.5938 6.5938 7.9847 7.9847 8.4463 8.4463 10.0614 10.0614 k = 0.0833 0.0626-0.0000 ( 5601 PWs) bands (ev): -8.2678 -8.2678 -7.0218 -7.0218 -7.0170 -7.0170 -6.9777 -6.9777 -2.1841 -2.1841 -2.1457 -2.1456 -0.9644 -0.9644 -0.5626 -0.5626 -0.4804 -0.4804 -0.1130 -0.1130 0.0610 0.0610 1.6332 1.6332 1.6944 1.6944 1.7661 1.7662 1.8380 1.8380 2.7834 2.7834 3.3507 3.3507 3.3666 3.3666 4.4220 4.4220 4.7622 4.7622 4.8830 4.8830 6.6333 6.6333 8.0036 8.0036 8.4607 8.4607 9.9735 9.9735 k = 0.1000 0.0752-0.0000 ( 5601 PWs) bands (ev): -8.2597 -8.2597 -7.0222 -7.0222 -7.0173 -7.0173 -6.9898 -6.9898 -2.1893 -2.1893 -2.1441 -2.1441 -0.9624 -0.9624 -0.5582 -0.5582 -0.4844 -0.4844 -0.1101 -0.1101 0.0463 0.0463 1.6603 1.6603 1.7045 1.7045 1.7795 1.7795 1.8320 1.8320 2.8054 2.8054 3.3625 3.3625 3.3808 3.3808 4.3882 4.3882 4.7297 4.7297 4.8611 4.8611 6.6787 6.6787 8.0252 8.0252 8.4786 8.4786 9.8756 9.8756 k = 0.1167 0.0877-0.0000 ( 5621 PWs) bands (ev): -8.2502 -8.2502 -7.0227 -7.0227 -7.0176 -7.0176 -7.0039 -7.0039 -2.1947 -2.1947 -2.1430 -2.1430 -0.9602 -0.9602 -0.5538 -0.5538 -0.4889 -0.4889 -0.1081 -0.1081 0.0327 0.0327 1.6785 1.6785 1.7236 1.7236 1.7947 1.7948 1.8307 1.8307 2.8303 2.8303 3.3764 3.3764 3.3972 3.3972 4.3495 4.3495 4.6943 4.6943 4.8359 4.8359 6.7287 6.7287 8.0489 8.0489 8.5002 8.5002 9.7703 9.7703 k = 0.1333 0.1002-0.0000 ( 5613 PWs) bands (ev): -8.2392 -8.2392 -7.0241 -7.0241 -7.0195 -7.0195 -7.0176 -7.0176 -2.2000 -2.2000 -2.1424 -2.1424 -0.9578 -0.9578 -0.5498 -0.5498 -0.4939 -0.4939 -0.1086 -0.1086 0.0226 0.0226 1.6828 1.6828 1.7528 1.7528 1.8096 1.8096 1.8399 1.8399 2.8575 2.8575 3.3922 3.3922 3.4156 3.4156 4.3064 4.3064 4.6570 4.6570 4.8076 4.8076 6.7821 6.7821 8.0736 8.0736 8.5256 8.5256 9.6597 9.6597 k = 0.1500 0.1127-0.0000 ( 5629 PWs) bands (ev): -8.2268 -8.2268 -7.0388 -7.0388 -7.0230 -7.0230 -7.0183 -7.0183 -2.2053 -2.2053 -2.1422 -2.1422 -0.9553 -0.9553 -0.5468 -0.5468 -0.4991 -0.4991 -0.1129 -0.1129 0.0183 0.0183 1.6778 1.6778 1.7831 1.7831 1.8231 1.8231 1.8641 1.8641 2.8867 2.8867 3.4098 3.4098 3.4357 3.4357 4.2599 4.2599 4.6183 4.6183 4.7766 4.7766 6.8377 6.8377 8.0987 8.0987 8.5547 8.5547 9.5457 9.5457 k = 0.1667 0.1253-0.0000 ( 5617 PWs) bands (ev): -8.2130 -8.2130 -7.0586 -7.0586 -7.0236 -7.0236 -7.0187 -7.0187 -2.2105 -2.2105 -2.1425 -2.1425 -0.9526 -0.9526 -0.5455 -0.5455 -0.5043 -0.5043 -0.1216 -0.1216 0.0210 0.0210 1.6666 1.6666 1.8097 1.8097 1.8392 1.8392 1.9003 1.9003 2.9174 2.9174 3.4290 3.4290 3.4574 3.4574 4.2109 4.2109 4.5786 4.5786 4.7432 4.7432 6.8945 6.8945 8.1234 8.1234 8.5871 8.5871 9.4297 9.4297 k = 0.1833 0.1378-0.0000 ( 5625 PWs) bands (ev): -8.1979 -8.1979 -7.0802 -7.0802 -7.0242 -7.0242 -7.0192 -7.0192 -2.2155 -2.2155 -2.1431 -2.1431 -0.9498 -0.9498 -0.5465 -0.5465 -0.5090 -0.5090 -0.1338 -0.1338 0.0304 0.0305 1.6510 1.6510 1.8331 1.8331 1.8593 1.8593 1.9440 1.9440 2.9494 2.9494 3.4495 3.4495 3.4804 3.4804 4.1604 4.1604 4.5381 4.5381 4.7078 4.7078 6.9513 6.9513 8.1471 8.1471 8.6221 8.6221 9.3132 9.3132 k = 0.2000 0.1503-0.0000 ( 5637 PWs) bands (ev): -8.1815 -8.1815 -7.1035 -7.1035 -7.0247 -7.0247 -7.0197 -7.0197 -2.2203 -2.2203 -2.1441 -2.1441 -0.9469 -0.9469 -0.5505 -0.5505 -0.5130 -0.5130 -0.1478 -0.1478 0.0456 0.0456 1.6325 1.6325 1.8556 1.8556 1.8823 1.8823 1.9919 1.9919 2.9821 2.9821 3.4711 3.4711 3.5044 3.5044 4.1094 4.1094 4.4973 4.4973 4.6709 4.6709 7.0071 7.0071 8.1698 8.1698 8.6584 8.6584 9.1975 9.1975 k = 0.2167 0.1628-0.0000 ( 5633 PWs) bands (ev): -8.1637 -8.1637 -7.1283 -7.1283 -7.0253 -7.0253 -7.0201 -7.0201 -2.2250 -2.2250 -2.1454 -2.1454 -0.9439 -0.9438 -0.5575 -0.5575 -0.5164 -0.5164 -0.1621 -0.1621 0.0653 0.0653 1.6120 1.6120 1.8788 1.8789 1.9070 1.9070 2.0417 2.0417 3.0153 3.0153 3.4935 3.4935 3.5291 3.5291 4.0587 4.0587 4.4565 4.4565 4.6330 4.6330 7.0606 7.0606 8.1913 8.1913 8.6941 8.6941 9.0837 9.0837 k = 0.2333 0.1754-0.0000 ( 5633 PWs) bands (ev): -8.1446 -8.1446 -7.1545 -7.1545 -7.0259 -7.0259 -7.0206 -7.0206 -2.2293 -2.2293 -2.1470 -2.1470 -0.9407 -0.9407 -0.5671 -0.5671 -0.5198 -0.5198 -0.1757 -0.1757 0.0888 0.0888 1.5900 1.5900 1.9032 1.9032 1.9328 1.9328 2.0921 2.0921 3.0487 3.0487 3.5163 3.5163 3.5540 3.5540 4.0094 4.0094 4.4159 4.4159 4.5944 4.5944 7.1108 7.1108 8.2122 8.2122 8.7262 8.7262 8.9740 8.9740 k = 0.2500 0.1879-0.0000 ( 5633 PWs) bands (ev): -8.1244 -8.1244 -7.1820 -7.1820 -7.0264 -7.0264 -7.0211 -7.0211 -2.2334 -2.2334 -2.1488 -2.1488 -0.9373 -0.9373 -0.5788 -0.5788 -0.5233 -0.5233 -0.1881 -0.1881 0.1153 0.1153 1.5671 1.5671 1.9286 1.9286 1.9595 1.9596 2.1420 2.1420 3.0819 3.0819 3.5392 3.5392 3.5787 3.5787 3.9623 3.9623 4.3759 4.3759 4.5558 4.5558 7.1562 7.1562 8.2331 8.2331 8.7472 8.7472 8.8740 8.8740 k = 0.2667 0.2004-0.0000 ( 5645 PWs) bands (ev): -8.1029 -8.1029 -7.2106 -7.2106 -7.0270 -7.0270 -7.0216 -7.0216 -2.2373 -2.2373 -2.1508 -2.1508 -0.9337 -0.9337 -0.5923 -0.5923 -0.5273 -0.5273 -0.1989 -0.1989 0.1444 0.1444 1.5435 1.5435 1.9549 1.9549 1.9868 1.9869 2.1906 2.1906 3.1147 3.1147 3.5617 3.5617 3.6026 3.6026 3.9182 3.9182 4.3371 4.3371 4.5176 4.5176 7.1956 7.1956 8.2548 8.2548 8.7214 8.7214 8.8061 8.8061 k = 0.2833 0.2130-0.0000 ( 5629 PWs) bands (ev): -8.0803 -8.0803 -7.2403 -7.2403 -7.0276 -7.0276 -7.0221 -7.0221 -2.2408 -2.2408 -2.1529 -2.1529 -0.9298 -0.9298 -0.6072 -0.6072 -0.5316 -0.5316 -0.2081 -0.2081 0.1755 0.1755 1.5194 1.5194 1.9819 1.9819 2.0145 2.0145 2.2371 2.2371 3.1467 3.1467 3.5833 3.5833 3.6248 3.6248 3.8781 3.8781 4.3000 4.3000 4.4805 4.4805 7.2278 7.2278 8.2777 8.2777 8.6390 8.6390 8.7148 8.7148 k = 0.3000 0.2255-0.0000 ( 5633 PWs) bands (ev): -8.0566 -8.0566 -7.2709 -7.2709 -7.0281 -7.0281 -7.0226 -7.0226 -2.2440 -2.2440 -2.1552 -2.1552 -0.9257 -0.9257 -0.6232 -0.6232 -0.5361 -0.5361 -0.2158 -0.2158 0.2082 0.2082 1.4949 1.4949 2.0092 2.0092 2.0422 2.0422 2.2810 2.2810 3.1777 3.1777 3.6036 3.6036 3.6444 3.6444 3.8428 3.8428 4.2651 4.2651 4.4450 4.4450 7.2519 7.2519 8.3012 8.3012 8.5515 8.5515 8.6183 8.6183 k = 0.3167 0.2380-0.0000 ( 5633 PWs) bands (ev): -8.0319 -8.0319 -7.3023 -7.3023 -7.0286 -7.0286 -7.0231 -7.0231 -2.2469 -2.2469 -2.1575 -2.1575 -0.9212 -0.9211 -0.6401 -0.6401 -0.5407 -0.5407 -0.2221 -0.2221 0.2421 0.2421 1.4703 1.4703 2.0367 2.0367 2.0697 2.0697 2.3216 2.3216 3.2073 3.2073 3.6220 3.6220 3.6601 3.6601 3.8135 3.8135 4.2334 4.2334 4.4118 4.4118 7.2675 7.2675 8.3189 8.3189 8.4769 8.4769 8.5264 8.5264 k = 0.3333 0.2505-0.0000 ( 5633 PWs) bands (ev): -8.0062 -8.0062 -7.3343 -7.3343 -7.0291 -7.0291 -7.0235 -7.0235 -2.2494 -2.2494 -2.1598 -2.1598 -0.9163 -0.9163 -0.6575 -0.6575 -0.5452 -0.5452 -0.2272 -0.2272 0.2765 0.2765 1.4458 1.4458 2.0638 2.0639 2.0966 2.0966 2.3586 2.3586 3.2354 3.2354 3.6380 3.6380 3.6702 3.6702 3.7914 3.7914 4.2053 4.2053 4.3814 4.3814 7.2748 7.2748 8.3060 8.3060 8.4344 8.4344 8.4482 8.4483 k = 0.3500 0.2631-0.0000 ( 5633 PWs) bands (ev): -7.9797 -7.9797 -7.3667 -7.3667 -7.0296 -7.0296 -7.0239 -7.0239 -2.2517 -2.2517 -2.1620 -2.1620 -0.9109 -0.9109 -0.6752 -0.6752 -0.5496 -0.5496 -0.2313 -0.2313 0.3111 0.3111 1.4214 1.4214 2.0904 2.0904 2.1225 2.1226 2.3915 2.3915 3.2617 3.2617 3.6510 3.6510 3.6737 3.6737 3.7771 3.7771 4.1818 4.1818 4.3543 4.3543 7.2747 7.2747 8.2522 8.2522 8.3576 8.3576 8.4621 8.4621 k = 0.3667 0.2756-0.0000 ( 5625 PWs) bands (ev): -7.9524 -7.9524 -7.3995 -7.3995 -7.0301 -7.0301 -7.0243 -7.0243 -2.2537 -2.2537 -2.1642 -2.1642 -0.9052 -0.9052 -0.6928 -0.6928 -0.5538 -0.5538 -0.2346 -0.2346 0.3450 0.3450 1.3976 1.3976 2.1159 2.1159 2.1472 2.1472 2.4201 2.4201 3.2860 3.2860 3.6598 3.6598 3.6724 3.6725 3.7694 3.7694 4.1632 4.1632 4.3308 4.3308 7.2683 7.2683 8.1878 8.1878 8.2837 8.2837 8.5007 8.5007 k = 0.3833 0.2881-0.0000 ( 5633 PWs) bands (ev): -7.9244 -7.9244 -7.4324 -7.4324 -7.0305 -7.0305 -7.0247 -7.0247 -2.2554 -2.2554 -2.1662 -2.1662 -0.8989 -0.8989 -0.7101 -0.7100 -0.5576 -0.5576 -0.2372 -0.2372 0.3778 0.3778 1.3746 1.3746 2.1399 2.1400 2.1702 2.1702 2.4446 2.4446 3.3080 3.3080 3.6598 3.6598 3.6735 3.6735 3.7653 3.7653 4.1498 4.1498 4.3112 4.3112 7.2575 7.2575 8.1258 8.1258 8.2167 8.2167 8.5459 8.5459 k = 0.4000 0.3006-0.0000 ( 5625 PWs) bands (ev): -7.8961 -7.8961 -7.4652 -7.4652 -7.0308 -7.0308 -7.0250 -7.0250 -2.2568 -2.2568 -2.1680 -2.1680 -0.8922 -0.8922 -0.7268 -0.7268 -0.5610 -0.5610 -0.2392 -0.2392 0.4088 0.4088 1.3529 1.3529 2.1621 2.1621 2.1911 2.1911 2.4649 2.4649 3.3277 3.3277 3.6536 3.6536 3.6771 3.6771 3.7621 3.7621 4.1412 4.1412 4.2954 4.2954 7.2438 7.2438 8.0697 8.0697 8.1574 8.1574 8.5904 8.5904 k = 0.4167 0.3132-0.0000 ( 5618 PWs) bands (ev): -7.8675 -7.8675 -7.4975 -7.4975 -7.0311 -7.0311 -7.0252 -7.0252 -2.2580 -2.2580 -2.1697 -2.1697 -0.8851 -0.8851 -0.7427 -0.7426 -0.5639 -0.5639 -0.2408 -0.2408 0.4370 0.4370 1.3328 1.3328 2.1819 2.1819 2.2095 2.2095 2.4812 2.4812 3.3447 3.3447 3.6468 3.6468 3.6793 3.6793 3.7587 3.7587 4.1366 4.1366 4.2832 4.2832 7.2290 7.2290 8.0209 8.0209 8.1062 8.1062 8.6249 8.6249 k = 0.4333 0.3257-0.0000 ( 5630 PWs) bands (ev): -7.8393 -7.8393 -7.5288 -7.5288 -7.0314 -7.0314 -7.0255 -7.0255 -2.2589 -2.2589 -2.1711 -2.1711 -0.8778 -0.8778 -0.7574 -0.7574 -0.5664 -0.5664 -0.2420 -0.2420 0.4618 0.4618 1.3151 1.3151 2.1988 2.1988 2.2251 2.2251 2.4940 2.4940 3.3590 3.3590 3.6408 3.6408 3.6801 3.6801 3.7549 3.7549 4.1350 4.1350 4.2742 4.2742 7.2147 7.2147 7.9803 7.9803 8.0636 8.0636 8.6408 8.6408 k = 0.4500 0.3382-0.0000 ( 5614 PWs) bands (ev): -7.8123 -7.8123 -7.5584 -7.5584 -7.0316 -7.0316 -7.0256 -7.0256 -2.2597 -2.2597 -2.1722 -2.1722 -0.8704 -0.8704 -0.7707 -0.7707 -0.5683 -0.5683 -0.2429 -0.2429 0.4822 0.4822 1.3004 1.3004 2.2126 2.2126 2.2376 2.2376 2.5035 2.5035 3.3704 3.3704 3.6359 3.6359 3.6799 3.6799 3.7512 3.7512 4.1352 4.1352 4.2679 4.2679 7.2022 7.2022 7.9482 7.9482 8.0300 8.0300 8.6424 8.6424 k = 0.4667 0.3508-0.0000 ( 5602 PWs) bands (ev): -7.7880 -7.7880 -7.5845 -7.5845 -7.0317 -7.0317 -7.0258 -7.0258 -2.2602 -2.2602 -2.1730 -2.1730 -0.8636 -0.8636 -0.7818 -0.7818 -0.5697 -0.5697 -0.2435 -0.2435 0.4975 0.4975 1.2893 1.2893 2.2227 2.2227 2.2467 2.2467 2.5100 2.5100 3.3787 3.3787 3.6323 3.6323 3.6792 3.6792 3.7483 3.7483 4.1362 4.1362 4.2638 4.2638 7.1925 7.1925 7.9250 7.9250 8.0058 8.0058 8.6391 8.6391 k = 0.4833 0.3633-0.0000 ( 5610 PWs) bands (ev): -7.7697 -7.7697 -7.6039 -7.6039 -7.0318 -7.0318 -7.0259 -7.0259 -2.2604 -2.2604 -2.1735 -2.1735 -0.8584 -0.8584 -0.7896 -0.7896 -0.5705 -0.5705 -0.2439 -0.2439 0.5070 0.5070 1.2824 1.2824 2.2288 2.2289 2.2522 2.2522 2.5138 2.5138 3.3837 3.3837 3.6300 3.6300 3.6786 3.6786 3.7464 3.7464 4.1372 4.1372 4.2615 4.2615 7.1864 7.1864 7.9110 7.9110 7.9912 7.9912 8.6358 8.6358 k = 0.5000 0.3758-0.0000 ( 5606 PWs) bands (ev): -7.7625 -7.7625 -7.6114 -7.6114 -7.0318 -7.0318 -7.0259 -7.0259 -2.2605 -2.2605 -2.1736 -2.1736 -0.8564 -0.8564 -0.7924 -0.7924 -0.5708 -0.5708 -0.2440 -0.2440 0.5103 0.5103 1.2800 1.2800 2.2309 2.2309 2.2541 2.2541 2.5151 2.5151 3.3854 3.3854 3.6292 3.6292 3.6784 3.6784 3.7457 3.7457 4.1375 4.1375 4.2607 4.2607 7.1843 7.1843 7.9064 7.9064 7.9863 7.9863 8.6346 8.6346 k = 0.5000 0.3758-0.0000 ( 5606 PWs) bands (ev): -7.7625 -7.7625 -7.6114 -7.6114 -7.0318 -7.0318 -7.0259 -7.0259 -2.2605 -2.2605 -2.1736 -2.1736 -0.8564 -0.8564 -0.7924 -0.7924 -0.5708 -0.5708 -0.2440 -0.2440 0.5103 0.5103 1.2800 1.2800 2.2309 2.2309 2.2541 2.2541 2.5151 2.5151 3.3854 3.3854 3.6292 3.6292 3.6784 3.6784 3.7457 3.7457 4.1375 4.1375 4.2607 4.2607 7.1843 7.1843 7.9064 7.9064 7.9863 7.9863 8.6346 8.6346 k = 0.4910 0.3877 0.0149 ( 5614 PWs) bands (ev): -7.7622 -7.7619 -7.6111 -7.6110 -7.0325 -7.0322 -7.0263 -7.0262 -2.2619 -2.2590 -2.1783 -2.1695 -0.8636 -0.8505 -0.8071 -0.7749 -0.5748 -0.5654 -0.2538 -0.2325 0.5078 0.5128 1.2739 1.2796 2.2268 2.2359 2.2535 2.2554 2.5120 2.5176 3.3806 3.3866 3.5986 3.6404 3.6768 3.6834 3.7260 3.7756 4.1273 4.1493 4.2589 4.2626 7.1883 7.1885 7.9024 7.9129 7.9873 7.9881 8.6336 8.6468 k = 0.4821 0.3997 0.0299 ( 5610 PWs) bands (ev): -7.7610 -7.7604 -7.6103 -7.6100 -7.0346 -7.0341 -7.0272 -7.0269 -2.2630 -2.2573 -2.1833 -2.1658 -0.8723 -0.8470 -0.8166 -0.7559 -0.5771 -0.5588 -0.2620 -0.2193 0.5055 0.5154 1.2615 1.2726 2.2227 2.2404 2.2537 2.2593 2.5084 2.5196 3.3728 3.3832 3.5626 3.6209 3.6729 3.6862 3.7352 3.8061 4.1187 4.1602 4.2575 4.2659 7.2003 7.2008 7.9008 7.9220 7.9919 7.9929 8.6442 8.6695 k = 0.4731 0.4116 0.0448 ( 5620 PWs) bands (ev): -7.7589 -7.7580 -7.6088 -7.6083 -7.0389 -7.0383 -7.0275 -7.0270 -2.2640 -2.2554 -2.1887 -2.1626 -0.8826 -0.8473 -0.8186 -0.7369 -0.5773 -0.5511 -0.2686 -0.2043 0.5034 0.5181 1.2432 1.2593 2.2173 2.2416 2.2563 2.2677 2.5045 2.5209 3.3623 3.3737 3.5264 3.5841 3.6648 3.6872 3.7608 3.8354 4.1104 4.1661 4.2584 4.2739 7.2202 7.2209 7.9013 7.9333 7.9994 8.0028 8.6659 8.7016 k = 0.4641 0.4235 0.0597 ( 5618 PWs) bands (ev): -7.7558 -7.7546 -7.6067 -7.6061 -7.0454 -7.0447 -7.0274 -7.0266 -2.2646 -2.2534 -2.1944 -2.1599 -0.8938 -0.8500 -0.8148 -0.7191 -0.5750 -0.5420 -0.2734 -0.1876 0.5014 0.5208 1.2199 1.2402 2.2098 2.2385 2.2624 2.2801 2.5004 2.5218 3.3486 3.3561 3.4931 3.5415 3.6555 3.6864 3.7891 3.8632 4.1002 4.1635 4.2635 4.2893 7.2474 7.2484 7.9039 7.9458 8.0111 8.0190 8.6978 8.7416 k = 0.4552 0.4355 0.0746 ( 5598 PWs) bands (ev): -7.7519 -7.7504 -7.6040 -7.6033 -7.0539 -7.0530 -7.0269 -7.0258 -2.2651 -2.2513 -2.2003 -2.1576 -0.9051 -0.8526 -0.8083 -0.7037 -0.5700 -0.5316 -0.2763 -0.1692 0.4996 0.5236 1.1922 1.2160 2.2001 2.2324 2.2709 2.2951 2.4963 2.5223 3.3256 3.3341 3.4634 3.5008 3.6446 3.6831 3.8173 3.8893 4.0867 4.1533 4.2738 4.3117 7.2815 7.2829 7.9088 7.9583 8.0292 8.0419 8.7386 8.7880 k = 0.4462 0.4474 0.0896 ( 5602 PWs) bands (ev): -7.7471 -7.7454 -7.6008 -7.5999 -7.0642 -7.0632 -7.0262 -7.0249 -2.2653 -2.2491 -2.2063 -2.1558 -0.9159 -0.8543 -0.8006 -0.6914 -0.5627 -0.5194 -0.2770 -0.1490 0.4981 0.5265 1.1610 1.1875 2.1885 2.2240 2.2805 2.3115 2.4923 2.5226 3.2881 3.3119 3.4322 3.4712 3.6313 3.6766 3.8441 3.9128 4.0705 4.1390 4.2893 4.3384 7.3217 7.3237 7.9165 7.9705 8.0548 8.0714 8.7867 8.8391 k = 0.4372 0.4593 0.1045 ( 5602 PWs) bands (ev): -7.7415 -7.7395 -7.5970 -7.5960 -7.0762 -7.0751 -7.0253 -7.0237 -2.2652 -2.2468 -2.2124 -2.1544 -0.9258 -0.8551 -0.7922 -0.6824 -0.5541 -0.5053 -0.2750 -0.1272 0.4969 0.5294 1.1272 1.1554 2.1751 2.2135 2.2900 2.3284 2.4885 2.5229 3.2435 3.2824 3.4001 3.4549 3.6153 3.6665 3.8674 3.9316 4.0542 4.1250 4.3092 4.3673 7.3675 7.3702 7.9272 7.9831 8.0883 8.1073 8.8406 8.8932 k = 0.4282 0.4713 0.1194 ( 5618 PWs) bands (ev): -7.7352 -7.7329 -7.5928 -7.5917 -7.0896 -7.0883 -7.0242 -7.0224 -2.2650 -2.2445 -2.2184 -2.1533 -0.9345 -0.8548 -0.7835 -0.6759 -0.5453 -0.4900 -0.2699 -0.1041 0.4962 0.5324 1.0917 1.1206 2.1604 2.2009 2.2986 2.3453 2.4850 2.5237 3.1950 3.2436 3.3746 3.4454 3.5960 3.6525 3.8833 3.9407 4.0438 4.1168 4.3323 4.3969 7.4179 7.4216 7.9414 7.9972 8.1291 8.1493 8.8985 8.9489 k = 0.4193 0.4832 0.1344 ( 5622 PWs) bands (ev): -7.7282 -7.7256 -7.5883 -7.5870 -7.1043 -7.1029 -7.0229 -7.0209 -2.2644 -2.2421 -2.2243 -2.1526 -0.9420 -0.8538 -0.7746 -0.6713 -0.5370 -0.4747 -0.2609 -0.0798 0.4960 0.5355 1.0552 1.0839 2.1444 2.1866 2.3051 2.3611 2.4817 2.5252 3.1448 3.1978 3.3568 3.4396 3.5736 3.6348 3.8860 3.9354 4.0466 4.1196 4.3575 4.4265 7.4724 7.4771 7.9592 8.0136 8.1768 8.1971 8.9588 9.0048 k = 0.4103 0.4951 0.1493 ( 5624 PWs) bands (ev): -7.7205 -7.7176 -7.5833 -7.5820 -7.1201 -7.1186 -7.0215 -7.0193 -2.2637 -2.2397 -2.2300 -2.1520 -0.9482 -0.8520 -0.7656 -0.6678 -0.5295 -0.4611 -0.2476 -0.0549 0.4964 0.5387 1.0186 1.0460 2.1275 2.1707 2.3090 2.3750 2.4785 2.5275 3.0942 3.1486 3.3449 3.4363 3.5481 3.6134 3.8731 3.9173 4.0633 4.1346 4.3838 4.4555 7.5300 7.5361 7.9806 8.0328 8.2309 8.2503 9.0195 9.0603 k = 0.4013 0.5071 0.1642 ( 5618 PWs) bands (ev): -7.7124 -7.7092 -7.5782 -7.5767 -7.1367 -7.1351 -7.0199 -7.0175 -2.2629 -2.2374 -2.2352 -2.1517 -0.9532 -0.8496 -0.7568 -0.6647 -0.5227 -0.4502 -0.2300 -0.0298 0.4976 0.5418 0.9827 1.0079 2.1098 2.1535 2.3097 2.3857 2.4758 2.5306 3.0443 3.0992 3.3372 3.4348 3.5201 3.5889 3.8483 3.8911 4.0892 4.1588 4.4105 4.4835 7.5902 7.5978 8.0055 8.0552 8.2907 8.3084 9.0780 9.1147 k = 0.3924 0.5190 0.1791 ( 5618 PWs) bands (ev): -7.7039 -7.7005 -7.5728 -7.5713 -7.1539 -7.1521 -7.0182 -7.0156 -2.2620 -2.2401 -2.2349 -2.1515 -0.9570 -0.8465 -0.7481 -0.6617 -0.5166 -0.4424 -0.2089 -0.0051 0.4996 0.5448 0.9484 0.9704 2.0915 2.1351 2.3072 2.3919 2.4739 2.5340 2.9960 3.0515 3.3330 3.4342 3.4911 3.5621 3.8168 3.8599 4.1200 4.1883 4.4371 4.5103 7.6522 7.6614 8.0340 8.0808 8.3556 8.3709 9.1314 9.1671 k = 0.3834 0.5309 0.1941 ( 5618 PWs) bands (ev): -7.6953 -7.6915 -7.5673 -7.5657 -7.1713 -7.1694 -7.0164 -7.0136 -2.2614 -2.2440 -2.2324 -2.1513 -0.9597 -0.8429 -0.7399 -0.6585 -0.5112 -0.4378 -0.1856 0.0182 0.5027 0.5474 0.9163 0.9350 2.0730 2.1158 2.3015 2.3923 2.4730 2.5370 2.9500 3.0070 3.3316 3.4300 3.4662 3.5338 3.7817 3.8259 4.1531 4.2207 4.4629 4.5357 7.7153 7.7263 8.0658 8.1098 8.4245 8.4370 9.1775 9.2151 k = 0.3744 0.5429 0.2090 ( 5610 PWs) bands (ev): -7.6867 -7.6828 -7.5618 -7.5600 -7.1885 -7.1866 -7.0144 -7.0115 -2.2614 -2.2468 -2.2299 -2.1512 -0.9613 -0.8389 -0.7321 -0.6548 -0.5064 -0.4357 -0.1613 0.0395 0.5068 0.5492 0.8865 0.9037 2.0542 2.0957 2.2927 2.3865 2.4726 2.5391 2.9071 2.9667 3.3317 3.4118 3.4570 3.5055 3.7450 3.7903 4.1869 4.2542 4.4875 4.5596 7.7789 7.7918 8.1009 8.1421 8.4964 8.5059 9.2161 9.2572 k = 0.3655 0.5548 0.2239 ( 5617 PWs) bands (ev): -7.6788 -7.6745 -7.5561 -7.5542 -7.2051 -7.2032 -7.0123 -7.0093 -2.2624 -2.2478 -2.2274 -2.1510 -0.9618 -0.8345 -0.7250 -0.6504 -0.5022 -0.4358 -0.1377 0.0578 0.5114 0.5497 0.8586 0.8795 2.0355 2.0750 2.2810 2.3754 2.4713 2.5397 2.8679 2.9309 3.3300 3.3882 3.4562 3.4809 3.7080 3.7541 4.2202 4.2877 4.5107 4.5818 7.8424 7.8573 8.1390 8.1776 8.5691 8.5772 9.2483 9.2929 k = 0.3565 0.5667 0.2389 ( 5619 PWs) bands (ev): -7.6718 -7.6674 -7.5503 -7.5481 -7.2207 -7.2188 -7.0102 -7.0070 -2.2644 -2.2474 -2.2248 -2.1509 -0.9614 -0.8298 -0.7186 -0.6453 -0.4987 -0.4376 -0.1160 0.0722 0.5156 0.5487 0.8338 0.8642 2.0168 2.0538 2.2665 2.3597 2.4681 2.5388 2.8328 2.8995 3.3173 3.3765 3.4420 3.4740 3.6724 3.7183 4.2521 4.3201 4.5321 4.6023 7.9050 7.9220 8.1801 8.2162 8.6405 8.6502 9.2758 9.3221 k = 0.3475 0.5787 0.2538 ( 5627 PWs) bands (ev): -7.6666 -7.6619 -7.5440 -7.5416 -7.2347 -7.2329 -7.0079 -7.0046 -2.2666 -2.2459 -2.2220 -2.1507 -0.9600 -0.8249 -0.7130 -0.6395 -0.4958 -0.4406 -0.0972 0.0821 0.5176 0.5461 0.8148 0.8580 1.9983 2.0321 2.2493 2.3403 2.4626 2.5366 2.8016 2.8718 3.2921 3.3802 3.4196 3.4770 3.6411 3.6838 4.2818 4.3505 4.5514 4.6208 7.9664 7.9855 8.2239 8.2577 8.7091 8.7228 9.2998 9.3457 k = 0.3386 0.5906 0.2687 ( 5631 PWs) bands (ev): -7.6638 -7.6591 -7.5369 -7.5342 -7.2467 -7.2450 -7.0056 -7.0022 -2.2687 -2.2440 -2.2191 -2.1505 -0.9577 -0.8200 -0.7080 -0.6331 -0.4938 -0.4447 -0.0821 0.0869 0.5149 0.5428 0.8040 0.8610 1.9798 2.0099 2.2296 2.3181 2.4552 2.5334 2.7739 2.8466 3.2633 3.3869 3.4036 3.4758 3.6186 3.6521 4.3088 4.3781 4.5687 4.6375 8.0257 8.0469 8.2705 8.3020 8.7738 8.7924 9.3216 9.3650 k = 0.3296 0.6025 0.2836 ( 5631 PWs) bands (ev): -7.6642 -7.6596 -7.5287 -7.5256 -7.2563 -7.2547 -7.0032 -6.9997 -2.2705 -2.2418 -2.2160 -2.1503 -0.9546 -0.8150 -0.7036 -0.6261 -0.4927 -0.4494 -0.0711 0.0866 0.5069 0.5380 0.8035 0.8725 1.9614 1.9871 2.2079 2.2940 2.4470 2.5298 2.7486 2.8225 3.2348 3.3748 3.4134 3.4645 3.6081 3.6264 4.3323 4.4020 4.5839 4.6521 8.0824 8.1055 8.3198 8.3491 8.8330 8.8567 9.3418 9.3815 k = 0.3206 0.6145 0.2986 ( 5627 PWs) bands (ev): -7.6683 -7.6639 -7.5188 -7.5154 -7.2631 -7.2618 -7.0007 -6.9971 -2.2718 -2.2395 -2.2127 -2.1501 -0.9507 -0.8101 -0.6995 -0.6188 -0.4928 -0.4542 -0.0644 0.0812 0.4951 0.5303 0.8137 0.8915 1.9429 1.9637 2.1846 2.2686 2.4390 2.5264 2.7246 2.7985 3.2076 3.3591 3.4300 3.4451 3.5950 3.6238 4.3518 4.4213 4.5971 4.6646 8.1357 8.1607 8.3719 8.3990 8.8854 8.9136 9.3607 9.3967 k = 0.3206 0.6145 0.2986 ( 5627 PWs) bands (ev): -7.6683 -7.6639 -7.5188 -7.5154 -7.2631 -7.2618 -7.0007 -6.9971 -2.2718 -2.2395 -2.2127 -2.1501 -0.9507 -0.8101 -0.6995 -0.6188 -0.4928 -0.4542 -0.0644 0.0812 0.4951 0.5303 0.8137 0.8915 1.9429 1.9637 2.1846 2.2686 2.4390 2.5264 2.7246 2.7985 3.2076 3.3591 3.4300 3.4451 3.5950 3.6238 4.3518 4.4213 4.5971 4.6646 8.1357 8.1607 8.3719 8.3990 8.8854 8.9136 9.3607 9.3967 k = 0.3018 0.6089 0.3055 ( 5626 PWs) bands (ev): -7.6733 -7.6692 -7.5124 -7.5089 -7.2645 -7.2633 -6.9997 -6.9961 -2.2722 -2.2385 -2.2109 -2.1499 -0.9485 -0.8079 -0.6979 -0.6152 -0.4934 -0.4564 -0.0635 0.0758 0.4891 0.5249 0.8239 0.9039 1.9317 1.9495 2.1725 2.2546 2.4383 2.5249 2.7168 2.7886 3.1932 3.3459 3.4306 3.4484 3.5912 3.6301 4.3565 4.4239 4.6054 4.6709 8.1590 8.1846 8.4001 8.4263 8.9080 8.9378 9.3632 9.3984 k = 0.2829 0.6034 0.3124 ( 5626 PWs) bands (ev): -7.6817 -7.6778 -7.5044 -7.5010 -7.2633 -7.2622 -6.9991 -6.9955 -2.2722 -2.2377 -2.2086 -2.1496 -0.9458 -0.8059 -0.6966 -0.6111 -0.4943 -0.4585 -0.0651 0.0668 0.4845 0.5190 0.8390 0.9192 1.9154 1.9297 2.1578 2.2364 2.4429 2.5232 2.7148 2.7814 3.1764 3.3251 3.4321 3.4596 3.5953 3.6373 4.3548 4.4178 4.6172 4.6784 8.1811 8.2074 8.4352 8.4607 8.9310 8.9618 9.3565 9.3921 k = 0.2640 0.5979 0.3193 ( 5628 PWs) bands (ev): -7.6918 -7.6883 -7.4967 -7.4932 -7.2593 -7.2583 -6.9989 -6.9953 -2.2720 -2.2372 -2.2059 -2.1493 -0.9427 -0.8040 -0.6956 -0.6068 -0.4955 -0.4605 -0.0695 0.0541 0.4828 0.5146 0.8570 0.9364 1.8945 1.9057 2.1401 2.2140 2.4516 2.5220 2.7172 2.7768 3.1600 3.3034 3.4351 3.4725 3.6055 3.6447 4.3478 4.4053 4.6299 4.6856 8.2025 8.2291 8.4770 8.5020 8.9542 8.9856 9.3449 9.3821 k = 0.2452 0.5924 0.3262 ( 5628 PWs) bands (ev): -7.7028 -7.6995 -7.4902 -7.4867 -7.2526 -7.2515 -6.9992 -6.9956 -2.2714 -2.2370 -2.2027 -2.1489 -0.9391 -0.8023 -0.6947 -0.6026 -0.4970 -0.4623 -0.0764 0.0380 0.4844 0.5128 0.8766 0.9545 1.8694 1.8798 2.1189 2.1879 2.4630 2.5224 2.7221 2.7752 3.1464 3.2842 3.4371 3.4860 3.6202 3.6528 4.3366 4.3884 4.6411 4.6913 8.2235 8.2499 8.5252 8.5498 8.9780 9.0094 9.3319 9.3713 k = 0.2263 0.5868 0.3331 ( 5620 PWs) bands (ev): -7.7139 -7.7110 -7.4854 -7.4821 -7.2432 -7.2421 -7.0001 -6.9964 -2.2706 -2.2370 -2.1991 -2.1484 -0.9349 -0.8010 -0.6939 -0.5987 -0.4987 -0.4639 -0.0857 0.0192 0.4896 0.5143 0.8967 0.9728 1.8410 1.8536 2.0936 2.1584 2.4757 2.5250 2.7273 2.7773 3.1372 3.2684 3.4377 3.4991 3.6380 3.6625 4.3218 4.3684 4.6495 4.6944 8.2440 8.2699 8.5795 8.6035 9.0022 9.0332 9.3199 9.3619 k = 0.2075 0.5813 0.3400 ( 5627 PWs) bands (ev): -7.7248 -7.7221 -7.4824 -7.4792 -7.2315 -7.2304 -7.0015 -6.9978 -2.2696 -2.2373 -2.1953 -2.1480 -0.9302 -0.8001 -0.6929 -0.5955 -0.5005 -0.4654 -0.0967 -0.0015 0.4978 0.5190 0.9166 0.9908 1.8110 1.8277 2.0645 2.1263 2.4883 2.5303 2.7318 2.7832 3.1327 3.2561 3.4373 3.5106 3.6574 3.6754 4.3044 4.3462 4.6542 4.6945 8.2644 8.2892 8.6391 8.6626 9.0264 9.0568 9.3106 9.3554 k = 0.1886 0.5758 0.3470 ( 5624 PWs) bands (ev): -7.7351 -7.7327 -7.4808 -7.4779 -7.2182 -7.2169 -7.0035 -6.9999 -2.2683 -2.2379 -2.1913 -2.1477 -0.9249 -0.7999 -0.6917 -0.5932 -0.5021 -0.4668 -0.1089 -0.0232 0.5087 0.5268 0.9361 1.0079 1.7810 1.8024 2.0321 2.0925 2.4995 2.5379 2.7358 2.7925 3.1327 3.2464 3.4369 3.5196 3.6773 3.6930 4.2848 4.3224 4.6551 4.6911 8.2843 8.3077 8.7035 8.7265 9.0504 9.0796 9.3051 9.3532 k = 0.1697 0.5703 0.3539 ( 5626 PWs) bands (ev): -7.7448 -7.7427 -7.4805 -7.4779 -7.2036 -7.2023 -7.0062 -7.0027 -2.2669 -2.2385 -2.1871 -2.1474 -0.9191 -0.8004 -0.6901 -0.5923 -0.5033 -0.4682 -0.1215 -0.0451 0.5213 0.5371 0.9547 1.0238 1.7519 1.7783 1.9975 2.0577 2.5091 2.5464 2.7408 2.8039 3.1360 3.2383 3.4377 3.5262 3.6975 3.7147 4.2636 4.2974 4.6521 4.6844 8.3039 8.3254 8.7717 8.7940 9.0736 9.1008 9.3046 9.3559 k = 0.1509 0.5647 0.3608 ( 5625 PWs) bands (ev): -7.7537 -7.7518 -7.4811 -7.4787 -7.1883 -7.1868 -7.0096 -7.0061 -2.2653 -2.2394 -2.1830 -2.1473 -0.9127 -0.8017 -0.6880 -0.5929 -0.5038 -0.4696 -0.1340 -0.0666 0.5352 0.5493 0.9724 1.0381 1.7246 1.7558 1.9620 2.0229 2.5171 2.5543 2.7483 2.8165 3.1412 3.2304 3.4410 3.5310 3.7192 3.7383 4.2414 4.2717 4.6457 4.6745 8.3228 8.3421 8.8423 8.8642 9.0953 9.1198 9.3098 9.3643 k = 0.1320 0.5592 0.3677 ( 5623 PWs) bands (ev): -7.7616 -7.7600 -7.4822 -7.4800 -7.1728 -7.1711 -7.0138 -7.0104 -2.2636 -2.2404 -2.1788 -2.1473 -0.9058 -0.8041 -0.6851 -0.5952 -0.5034 -0.4711 -0.1457 -0.0871 0.5496 0.5625 0.9890 1.0506 1.6997 1.7349 1.9275 1.9887 2.5238 2.5600 2.7592 2.8299 3.1465 3.2216 3.4478 3.5349 3.7421 3.7625 4.2188 4.2458 4.6366 4.6621 8.3406 8.3576 8.9132 8.9351 9.1158 9.1360 9.3213 9.3787 k = 0.1132 0.5537 0.3746 ( 5621 PWs) bands (ev): -7.7686 -7.7672 -7.4835 -7.4817 -7.1573 -7.1555 -7.0187 -7.0154 -2.2618 -2.2416 -2.1748 -2.1476 -0.8984 -0.8075 -0.6814 -0.5992 -0.5023 -0.4727 -0.1562 -0.1061 0.5639 0.5759 1.0045 1.0611 1.6776 1.7157 1.8954 1.9559 2.5294 2.5630 2.7735 2.8433 3.1505 3.2113 3.4582 3.5388 3.7656 3.7860 4.1965 4.2203 4.6255 4.6479 8.3572 8.3718 8.9810 9.0041 9.1360 9.1507 9.3389 9.3986 k = 0.0943 0.5482 0.3815 ( 5615 PWs) bands (ev): -7.7746 -7.7734 -7.4849 -7.4834 -7.1422 -7.1403 -7.0244 -7.0212 -2.2600 -2.2428 -2.1709 -2.1481 -0.8905 -0.8120 -0.6769 -0.6046 -0.5004 -0.4745 -0.1650 -0.1233 0.5776 0.5887 1.0190 1.0692 1.6591 1.6979 1.8676 1.9252 2.5340 2.5636 2.7906 2.8562 3.1523 3.1998 3.4719 3.5431 3.7886 3.8079 4.1752 4.1959 4.6135 4.6327 8.3721 8.3842 9.0396 9.0651 9.1588 9.1685 9.3620 9.4234 k = 0.0754 0.5426 0.3884 ( 5627 PWs) bands (ev): -7.7795 -7.7785 -7.4862 -7.4850 -7.1278 -7.1258 -7.0308 -7.0278 -2.2581 -2.2442 -2.1672 -2.1489 -0.8822 -0.8175 -0.6715 -0.6111 -0.4980 -0.4764 -0.1718 -0.1385 0.5902 0.6000 1.0322 1.0749 1.6445 1.6813 1.8455 1.8973 2.5379 2.5624 2.8095 2.8675 3.1518 3.1876 3.4877 3.5474 3.8099 3.8272 4.1560 4.1733 4.6017 4.6176 8.3850 8.3946 9.0816 9.1068 9.1878 9.1987 9.3902 9.4517 k = 0.0566 0.5371 0.3954 ( 5629 PWs) bands (ev): -7.7833 -7.7826 -7.4873 -7.4864 -7.1143 -7.1123 -7.0378 -7.0350 -2.2562 -2.2457 -2.1638 -2.1500 -0.8737 -0.8240 -0.6653 -0.6186 -0.4952 -0.4786 -0.1764 -0.1514 0.6011 0.6091 1.0442 1.0779 1.6342 1.6657 1.8302 1.8729 2.5413 2.5599 2.8288 2.8761 3.1498 3.1757 3.5044 3.5507 3.8287 3.8430 4.1399 4.1536 4.5914 4.6037 8.3956 8.4027 9.1059 9.1255 9.2244 9.2371 9.4236 9.4810 k = 0.0377 0.5316 0.4023 ( 5638 PWs) bands (ev): -7.7860 -7.7855 -7.4881 -7.4875 -7.1023 -7.1004 -7.0449 -7.0424 -2.2543 -2.2473 -2.1606 -2.1514 -0.8649 -0.8313 -0.6584 -0.6265 -0.4923 -0.4810 -0.1785 -0.1618 0.6099 0.6155 1.0549 1.0782 1.6287 1.6517 1.8220 1.8524 2.5444 2.5569 2.8469 2.8807 3.1478 3.1649 3.5203 3.5520 3.8439 3.8543 4.1280 4.1378 4.5836 4.5921 8.4037 8.4084 9.1194 9.1320 9.2582 9.2694 9.4606 9.5066 k = 0.0189 0.5260 0.4092 ( 5635 PWs) bands (ev): -7.7876 -7.7873 -7.4886 -7.4883 -7.0928 -7.0914 -7.0509 -7.0493 -2.2525 -2.2490 -2.1578 -2.1532 -0.8562 -0.8392 -0.6509 -0.6347 -0.4893 -0.4836 -0.1782 -0.1698 0.6159 0.6189 1.0639 1.0759 1.6280 1.6401 1.8207 1.8365 2.5474 2.5537 2.8624 2.8801 3.1475 3.1562 3.5338 3.5500 3.8547 3.8602 4.1216 4.1267 4.5795 4.5838 8.4091 8.4114 9.1272 9.1334 9.2816 9.2881 9.4950 9.5210 k = 0.0000 0.5205 0.4161 ( 5640 PWs) bands (ev): -7.7880 -7.7880 -7.4886 -7.4886 -7.0883 -7.0883 -7.0530 -7.0530 -2.2507 -2.2507 -2.1553 -2.1553 -0.8475 -0.8475 -0.6429 -0.6429 -0.4864 -0.4864 -0.1753 -0.1753 0.6190 0.6190 1.0710 1.0710 1.6319 1.6319 1.8257 1.8257 2.5505 2.5505 2.8739 2.8739 3.1502 3.1502 3.5439 3.5439 3.8603 3.8603 4.1211 4.1211 4.5795 4.5795 8.4117 8.4117 9.1316 9.1316 9.2919 9.2919 9.5175 9.5175 k = 0.0000 0.5205 0.4161 ( 5640 PWs) bands (ev): -7.7880 -7.7880 -7.4886 -7.4886 -7.0883 -7.0883 -7.0530 -7.0530 -2.2507 -2.2507 -2.1553 -2.1553 -0.8475 -0.8475 -0.6429 -0.6429 -0.4864 -0.4864 -0.1753 -0.1753 0.6190 0.6190 1.0710 1.0710 1.6319 1.6319 1.8257 1.8257 2.5505 2.5505 2.8739 2.8739 3.1502 3.1502 3.5439 3.5439 3.8603 3.8603 4.1211 4.1211 4.5795 4.5795 8.4117 8.4117 9.1316 9.1316 9.2919 9.2919 9.5175 9.5175 k = 0.0089 0.5086 0.4310 ( 5636 PWs) bands (ev): -7.7877 -7.7874 -7.4884 -7.4883 -7.0889 -7.0887 -7.0533 -7.0530 -2.2518 -2.2493 -2.1568 -2.1537 -0.8520 -0.8423 -0.6476 -0.6378 -0.4903 -0.4827 -0.1812 -0.1722 0.6127 0.6171 1.0607 1.0744 1.6272 1.6423 1.8240 1.8332 2.5462 2.5532 2.8702 2.8792 3.1460 3.1605 3.5416 3.5506 3.8571 3.8661 4.1201 4.1242 4.5774 4.5809 8.4065 8.4087 9.1274 9.1299 9.2798 9.2925 9.5141 9.5285 k = 0.0179 0.4968 0.4458 ( 5640 PWs) bands (ev): -7.7864 -7.7860 -7.4877 -7.4874 -7.0906 -7.0902 -7.0540 -7.0534 -2.2526 -2.2475 -2.1581 -2.1519 -0.8557 -0.8363 -0.6518 -0.6323 -0.4943 -0.4791 -0.1898 -0.1719 0.5986 0.6073 1.0442 1.0702 1.6284 1.6574 1.8281 1.8463 2.5404 2.5544 2.8691 2.8858 3.1482 3.1756 3.5434 3.5614 3.8564 3.8744 4.1211 4.1295 4.5745 4.5815 8.3933 8.3977 9.1174 9.1225 9.2591 9.2800 9.5202 9.5449 k = 0.0268 0.4849 0.4607 ( 5638 PWs) bands (ev): -7.7843 -7.7835 -7.4864 -7.4860 -7.0933 -7.0926 -7.0550 -7.0542 -2.2531 -2.2455 -2.1593 -2.1501 -0.8586 -0.8297 -0.6555 -0.6263 -0.4984 -0.4755 -0.2007 -0.1744 0.5772 0.5901 1.0223 1.0582 1.6348 1.6759 1.8381 1.8644 2.5331 2.5544 2.8718 2.8941 3.1568 3.1945 3.5490 3.5758 3.8581 3.8852 4.1244 4.1370 4.5708 4.5814 8.3723 8.3789 9.1020 9.1104 9.2326 9.2565 9.5351 9.5650 k = 0.0357 0.4730 0.4755 ( 5640 PWs) bands (ev): -7.7812 -7.7802 -7.4847 -7.4842 -7.0970 -7.0961 -7.0564 -7.0554 -2.2533 -2.2433 -2.1603 -2.1483 -0.8606 -0.8224 -0.6586 -0.6200 -0.5026 -0.4722 -0.2136 -0.1795 0.5495 0.5664 0.9957 1.0388 1.6451 1.6962 1.8539 1.8873 2.5250 2.5535 2.8793 2.9049 3.1709 3.2161 3.5578 3.5934 3.8621 3.8981 4.1299 4.1469 4.5663 4.5806 8.3439 8.3526 9.0816 9.0948 9.2028 9.2264 9.5561 9.5879 k = 0.0446 0.4611 0.4904 ( 5630 PWs) bands (ev): -7.7772 -7.7761 -7.4824 -7.4818 -7.1016 -7.1006 -7.0582 -7.0569 -2.2530 -2.2409 -2.1611 -2.1464 -0.8618 -0.8145 -0.6612 -0.6134 -0.5069 -0.4690 -0.2282 -0.1871 0.5166 0.5372 0.9649 1.0126 1.6574 1.7167 1.8752 1.9142 2.5169 2.5528 2.8921 2.9195 3.1895 3.2396 3.5692 3.6135 3.8682 3.9128 4.1380 4.1594 4.5609 4.5790 8.3084 8.3193 9.0561 9.0760 9.1722 9.1947 9.5808 9.6128 k = 0.0536 0.4492 0.5053 ( 5634 PWs) bands (ev): -7.7724 -7.7710 -7.4797 -7.4789 -7.1072 -7.1060 -7.0603 -7.0589 -2.2524 -2.2383 -2.1618 -2.1445 -0.8622 -0.8060 -0.6632 -0.6065 -0.5112 -0.4659 -0.2439 -0.1968 0.4795 0.5037 0.9303 0.9803 1.6698 1.7356 1.9018 1.9446 2.5101 2.5532 2.9103 2.9385 3.2110 3.2644 3.5825 3.6355 3.8762 3.9289 4.1488 4.1745 4.5547 4.5767 8.2667 8.2797 9.0261 9.0531 9.1431 9.1655 9.6073 9.6389 k = 0.0625 0.4374 0.5201 ( 5636 PWs) bands (ev): -7.7667 -7.7651 -7.4765 -7.4756 -7.1136 -7.1123 -7.0629 -7.0613 -2.2515 -2.2355 -2.1622 -2.1427 -0.8617 -0.7971 -0.6646 -0.5994 -0.5155 -0.4631 -0.2603 -0.2083 0.4392 0.4669 0.8923 0.9430 1.6802 1.7512 1.9331 1.9782 2.5061 2.5559 2.9340 2.9624 3.2342 3.2900 3.5970 3.6586 3.8860 3.9459 4.1624 4.1924 4.5476 4.5736 8.2194 8.2345 8.9924 9.0255 9.1176 9.1407 9.6345 9.6657 k = 0.0714 0.4255 0.5350 ( 5626 PWs) bands (ev): -7.7602 -7.7583 -7.4728 -7.4719 -7.1209 -7.1194 -7.0659 -7.0640 -2.2501 -2.2326 -2.1625 -2.1410 -0.8604 -0.7879 -0.6652 -0.5925 -0.5196 -0.4605 -0.2768 -0.2213 0.3968 0.4278 0.8514 0.9014 1.6872 1.7617 1.9689 2.0146 2.5063 2.5618 2.9626 2.9913 3.2582 3.3159 3.6123 3.6823 3.8975 3.9633 4.1787 4.2129 4.5397 4.5698 8.1673 8.1844 8.9570 8.9938 9.0966 9.1199 9.6617 9.6926 k = 0.0804 0.4136 0.5498 ( 5618 PWs) bands (ev): -7.7528 -7.7507 -7.4688 -7.4678 -7.1289 -7.1273 -7.0692 -7.0672 -2.2485 -2.2295 -2.1626 -2.1394 -0.8582 -0.7785 -0.6650 -0.5861 -0.5230 -0.4582 -0.2929 -0.2354 0.3531 0.3872 0.8078 0.8563 1.6895 1.7661 2.0085 2.0538 2.5116 2.5717 2.9957 3.0249 3.2819 3.3417 3.6281 3.7060 3.9104 3.9807 4.1976 4.2358 4.5309 4.5651 8.1112 8.1304 8.9214 8.9600 9.0793 9.1020 9.6884 9.7194 k = 0.0893 0.4017 0.5647 ( 5624 PWs) bands (ev): -7.7446 -7.7424 -7.4645 -7.4634 -7.1377 -7.1359 -7.0730 -7.0707 -2.2464 -2.2264 -2.1625 -2.1379 -0.8552 -0.7691 -0.6638 -0.5810 -0.5250 -0.4563 -0.3080 -0.2503 0.3087 0.3459 0.7620 0.8083 1.6869 1.7635 2.0516 2.0956 2.5224 2.5858 3.0328 3.0628 3.3050 3.3669 3.6444 3.7294 3.9248 3.9982 4.2186 4.2608 4.5215 4.5597 8.0520 8.0731 8.8871 8.9262 9.0645 9.0858 9.7147 9.7461 k = 0.0982 0.3898 0.5796 ( 5624 PWs) bands (ev): -7.7357 -7.7333 -7.4599 -7.4587 -7.1471 -7.1452 -7.0771 -7.0746 -2.2440 -2.2232 -2.1623 -2.1367 -0.8514 -0.7600 -0.6615 -0.5782 -0.5246 -0.4549 -0.3218 -0.2654 0.2643 0.3043 0.7145 0.7581 1.6792 1.7543 2.0976 2.1397 2.5386 2.6040 3.0728 3.1045 3.3270 3.3911 3.6609 3.7521 3.9405 4.0158 4.2410 4.2872 4.5115 4.5535 7.9905 8.0133 8.8550 8.8938 9.0510 9.0706 9.7404 9.7729 k = 0.1071 0.3780 0.5944 ( 5622 PWs) bands (ev): -7.7261 -7.7235 -7.4551 -7.4539 -7.1570 -7.1550 -7.0815 -7.0788 -2.2414 -2.2200 -2.1620 -2.1357 -0.8468 -0.7515 -0.6580 -0.5783 -0.5211 -0.4539 -0.3337 -0.2806 0.2204 0.2631 0.6657 0.7063 1.6670 1.7393 2.1457 2.1856 2.5596 2.6259 3.1144 3.1489 3.3481 3.4143 3.6775 3.7740 3.9574 4.0335 4.2639 4.3144 4.5014 4.5467 7.9275 7.9518 8.8258 8.8636 9.0382 9.0560 9.7653 9.8002 k = 0.1161 0.3661 0.6093 ( 5620 PWs) bands (ev): -7.7158 -7.7131 -7.4501 -7.4488 -7.1675 -7.1654 -7.0862 -7.0833 -2.2384 -2.2168 -2.1616 -2.1349 -0.8416 -0.7439 -0.6531 -0.5810 -0.5145 -0.4535 -0.3436 -0.2952 0.1775 0.2225 0.6158 0.6532 1.6511 1.7195 2.1953 2.2327 2.5847 2.6512 3.1558 3.1949 3.3691 3.4367 3.6943 3.7951 3.9753 4.0518 4.2860 4.3414 4.4917 4.5395 7.8636 7.8891 8.7996 8.8360 9.0257 9.0418 9.7887 9.8282 k = 0.1250 0.3542 0.6241 ( 5622 PWs) bands (ev): -7.7049 -7.7020 -7.4451 -7.4438 -7.1783 -7.1762 -7.0912 -7.0881 -2.2351 -2.2135 -2.1612 -2.1345 -0.8359 -0.7374 -0.6469 -0.5852 -0.5060 -0.4536 -0.3514 -0.3087 0.1359 0.1831 0.5653 0.5995 1.6324 1.6963 2.2455 2.2803 2.6131 2.6793 3.1949 3.2402 3.3914 3.4592 3.7112 3.8153 3.9940 4.0708 4.3060 4.3673 4.4833 4.5321 7.7996 7.8260 8.7765 8.8110 9.0130 9.0283 9.8079 9.8570 k = 0.1339 0.3423 0.6390 ( 5626 PWs) bands (ev): -7.6934 -7.6903 -7.4401 -7.4388 -7.1893 -7.1872 -7.0965 -7.0931 -2.2316 -2.2103 -2.1607 -2.1343 -0.8298 -0.7320 -0.6398 -0.5897 -0.4964 -0.4541 -0.3571 -0.3204 0.0961 0.1451 0.5145 0.5454 1.6117 1.6707 2.2956 2.3277 2.6443 2.7102 3.2290 3.2816 3.4171 3.4826 3.7285 3.8351 4.0130 4.0906 4.3222 4.3906 4.4778 4.5250 7.7361 7.7631 8.7562 8.7885 9.0000 9.0157 9.8171 9.8843 k = 0.1429 0.3305 0.6539 ( 5622 PWs) bands (ev): -7.6814 -7.6782 -7.4354 -7.4340 -7.2005 -7.1984 -7.1019 -7.0984 -2.2278 -2.2071 -2.1603 -2.1345 -0.8236 -0.7276 -0.6327 -0.5932 -0.4871 -0.4545 -0.3613 -0.3290 0.0583 0.1087 0.4637 0.4913 1.5899 1.6439 2.3446 2.3740 2.6778 2.7436 3.2563 3.3151 3.4486 3.5076 3.7469 3.8548 4.0321 4.1111 4.3329 4.4095 4.4768 4.5191 7.6738 7.7010 8.7385 8.7684 8.9866 9.0044 9.8135 9.8892 k = 0.1518 0.3186 0.6687 ( 5622 PWs) bands (ev): -7.6689 -7.6657 -7.4311 -7.4296 -7.2116 -7.2095 -7.1075 -7.1037 -2.2239 -2.2038 -2.1599 -2.1351 -0.8176 -0.7239 -0.6272 -0.5941 -0.4798 -0.4542 -0.3640 -0.3334 0.0229 0.0742 0.4130 0.4377 1.5678 1.6168 2.3916 2.4185 2.7135 2.7795 3.2760 3.3388 3.4858 3.5336 3.7677 3.8751 4.0510 4.1323 4.3372 4.4219 4.4814 4.5155 7.6134 7.6404 8.7229 8.7503 8.9733 8.9944 9.8030 9.8749 k = 0.1607 0.3067 0.6836 ( 5620 PWs) bands (ev): -7.6561 -7.6528 -7.4273 -7.4256 -7.2224 -7.2204 -7.1132 -7.1092 -2.2199 -2.2006 -2.1595 -2.1360 -0.8122 -0.7203 -0.6247 -0.5910 -0.4763 -0.4526 -0.3642 -0.3330 -0.0098 0.0418 0.3626 0.3849 1.5460 1.5900 2.4359 2.4605 2.7511 2.8177 3.2888 3.3536 3.5248 3.5581 3.7926 3.8970 4.0695 4.1540 4.3356 4.4274 4.4899 4.5151 7.5556 7.5820 8.7088 8.7341 8.9605 8.9855 9.7915 9.8581 k = 0.1696 0.2948 0.6984 ( 5614 PWs) bands (ev): -7.6430 -7.6397 -7.4243 -7.4224 -7.2327 -7.2309 -7.1188 -7.1146 -2.2158 -2.1975 -2.1593 -2.1372 -0.8077 -0.7161 -0.6249 -0.5849 -0.4770 -0.4507 -0.3601 -0.3282 -0.0397 0.0116 0.3127 0.3334 1.5250 1.5642 2.4768 2.4995 2.7903 2.8580 3.2960 3.3620 3.5602 3.5785 3.8232 3.9218 4.0873 4.1757 4.3299 4.4272 4.4989 4.5180 7.5010 7.5265 8.6959 8.7194 8.9488 8.9774 9.7819 9.8426 k = 0.1786 0.2829 0.7133 ( 5620 PWs) bands (ev): -7.6298 -7.6265 -7.4223 -7.4200 -7.2423 -7.2406 -7.1244 -7.1199 -2.2116 -2.1943 -2.1592 -2.1388 -0.8046 -0.7109 -0.6261 -0.5779 -0.4807 -0.4501 -0.3504 -0.3197 -0.0664 -0.0162 0.2635 0.2835 1.5053 1.5399 2.5136 2.5350 2.8306 2.8999 3.2992 3.3660 3.5842 3.5962 3.8603 3.9507 4.1042 4.1972 4.3218 4.4234 4.5058 4.5224 7.4502 7.4743 8.6840 8.7060 8.9386 8.9700 9.7756 9.8298 k = 0.1875 0.2711 0.7282 ( 5614 PWs) bands (ev): -7.6166 -7.6134 -7.4215 -7.4188 -7.2508 -7.2494 -7.1298 -7.1251 -2.2076 -2.1912 -2.1592 -2.1406 -0.8029 -0.7043 -0.6273 -0.5717 -0.4865 -0.4505 -0.3356 -0.3079 -0.0899 -0.0414 0.2150 0.2356 1.4873 1.5174 2.5462 2.5668 2.8715 2.9426 3.2998 3.3671 3.5919 3.6131 3.9029 3.9838 4.1201 4.2184 4.3126 4.4176 4.5099 4.5260 7.4038 7.4263 8.6730 8.6937 8.9300 8.9630 9.7730 9.8203 k = 0.1964 0.2592 0.7430 ( 5612 PWs) bands (ev): -7.6037 -7.6005 -7.4220 -7.4188 -7.2581 -7.2569 -7.1348 -7.1300 -2.2037 -2.1880 -2.1594 -2.1427 -0.8025 -0.6962 -0.6282 -0.5674 -0.4934 -0.4511 -0.3170 -0.2931 -0.1098 -0.0640 0.1676 0.1902 1.4713 1.4972 2.5744 2.5946 2.9119 2.9851 3.2991 3.3662 3.5908 3.6224 3.9488 4.0202 4.1348 4.2388 4.3032 4.4116 4.5110 4.5267 7.3625 7.3830 8.6631 8.6823 8.9232 8.9563 9.7740 9.8140 k = 0.2054 0.2473 0.7579 ( 5612 PWs) bands (ev): -7.5912 -7.5883 -7.4238 -7.4201 -7.2641 -7.2631 -7.1395 -7.1344 -2.2001 -2.1848 -2.1597 -2.1450 -0.8030 -0.6869 -0.6288 -0.5658 -0.5003 -0.4516 -0.2957 -0.2757 -0.1262 -0.0837 0.1218 0.1477 1.4575 1.4794 2.5982 2.6183 2.9507 3.0260 3.2981 3.3640 3.5842 3.6234 3.9953 4.0577 4.1483 4.2579 4.2943 4.4063 4.5089 4.5237 7.3268 7.3451 8.6546 8.6719 8.9183 8.9497 9.7779 9.8106 k = 0.2143 0.2354 0.7727 ( 5602 PWs) bands (ev): -7.5796 -7.5769 -7.4268 -7.4225 -7.2686 -7.2679 -7.1435 -7.1383 -2.1969 -2.1816 -2.1603 -2.1474 -0.8040 -0.6767 -0.6291 -0.5674 -0.5061 -0.4517 -0.2730 -0.2563 -0.1389 -0.1004 0.0784 0.1086 1.4463 1.4643 2.6176 2.6378 2.9863 3.0634 3.2982 3.3608 3.5741 3.6181 4.0399 4.0936 4.1607 4.2709 4.2901 4.4028 4.5037 4.5169 7.2972 7.3130 8.6476 8.6625 8.9152 8.9432 9.7839 9.8095 k = 0.2232 0.2235 0.7876 ( 5594 PWs) bands (ev): -7.5693 -7.5671 -7.4303 -7.4257 -7.2718 -7.2713 -7.1469 -7.1415 -2.1944 -2.1783 -2.1612 -2.1497 -0.8052 -0.6663 -0.6290 -0.5721 -0.5101 -0.4517 -0.2505 -0.2359 -0.1478 -0.1140 0.0382 0.0740 1.4376 1.4521 2.6328 2.6531 3.0171 3.0951 3.3009 3.3562 3.5628 3.6092 4.0794 4.1254 4.1721 4.2660 4.3015 4.4018 4.4963 4.5071 7.2739 7.2873 8.6425 8.6544 8.9138 8.9370 9.7908 9.8098 k = 0.2321 0.2117 0.8025 ( 5598 PWs) bands (ev): -7.5610 -7.5593 -7.4338 -7.4288 -7.2739 -7.2735 -7.1494 -7.1440 -2.1924 -2.1751 -2.1625 -2.1516 -0.8063 -0.6568 -0.6286 -0.5786 -0.5124 -0.4517 -0.2311 -0.2155 -0.1527 -0.1243 0.0033 0.0457 1.4317 1.4431 2.6436 2.6641 3.0412 3.1187 3.3072 3.3498 3.5525 3.5996 4.1101 4.1525 4.1825 4.2539 4.3166 4.4034 4.4880 4.4958 7.2573 7.2683 8.6392 8.6478 8.9138 8.9314 9.7975 9.8103 k = 0.2411 0.1998 0.8173 ( 5604 PWs) bands (ev): -7.5553 -7.5544 -7.4364 -7.4312 -7.2750 -7.2748 -7.1510 -7.1454 -2.1912 -2.1723 -2.1641 -2.1528 -0.8070 -0.6497 -0.6278 -0.5848 -0.5135 -0.4516 -0.2183 -0.1984 -0.1543 -0.1308 -0.0225 0.0265 1.4282 1.4374 2.6501 2.6707 3.0568 3.1329 3.3171 3.3409 3.5453 3.5922 4.1281 4.1755 4.1900 4.2401 4.3283 4.4064 4.4813 4.4857 7.2474 7.2567 8.6380 8.6430 8.9150 8.9269 9.8028 9.8102 k = 0.2500 0.1879 0.8322 ( 5608 PWs) bands (ev): -7.5531 -7.5529 -7.4374 -7.4321 -7.2754 -7.2753 -7.1515 -7.1460 -2.1908 -2.1709 -2.1651 -2.1533 -0.8073 -0.6471 -0.6273 -0.5875 -0.5138 -0.4516 -0.2139 -0.1912 -0.1544 -0.1329 -0.0326 0.0195 1.4272 1.4354 2.6523 2.6729 3.0622 3.1376 3.3268 3.3318 3.5428 3.5894 4.1336 4.1889 4.1908 4.2320 4.3328 4.4080 4.4789 4.4813 7.2442 7.2528 8.6380 8.6409 8.9158 8.9249 9.8052 9.8097 k = 0.2500 0.1879 0.8322 ( 5608 PWs) bands (ev): -7.5531 -7.5529 -7.4374 -7.4321 -7.2754 -7.2753 -7.1515 -7.1460 -2.1908 -2.1709 -2.1651 -2.1533 -0.8073 -0.6471 -0.6273 -0.5875 -0.5138 -0.4516 -0.2139 -0.1912 -0.1544 -0.1329 -0.0326 0.0195 1.4272 1.4354 2.6523 2.6729 3.0622 3.1376 3.3268 3.3318 3.5428 3.5894 4.1336 4.1889 4.1908 4.2320 4.3328 4.4080 4.4789 4.4813 7.2442 7.2528 8.6380 8.6409 8.9158 8.9249 9.8052 9.8097 k = 0.2632 0.1978 0.8198 ( 5607 PWs) bands (ev): -7.5539 -7.5533 -7.4371 -7.4318 -7.2752 -7.2751 -7.1513 -7.1458 -2.1909 -2.1715 -2.1647 -2.1532 -0.8069 -0.6491 -0.6266 -0.5866 -0.5138 -0.4518 -0.2385 -0.1807 -0.1631 -0.1115 -0.0290 0.0214 1.4294 1.4379 2.6472 2.6675 3.0557 3.1311 3.3246 3.3376 3.5477 3.5927 4.1327 4.1823 4.1927 4.2354 4.3331 4.4085 4.4804 4.4839 7.2430 7.2517 8.6360 8.6398 8.9173 8.9273 9.8043 9.8098 k = 0.2763 0.2077 0.8074 ( 5607 PWs) bands (ev): -7.5556 -7.5547 -7.4364 -7.4313 -7.2749 -7.2747 -7.1508 -7.1454 -2.1912 -2.1728 -2.1638 -2.1528 -0.8059 -0.6544 -0.6264 -0.5833 -0.5137 -0.4524 -0.2726 -0.2059 -0.1351 -0.0826 -0.0192 0.0264 1.4360 1.4453 2.6325 2.6518 3.0384 3.1137 3.3238 3.3435 3.5624 3.6030 4.1307 4.1703 4.1934 4.2425 4.3342 4.4111 4.4844 4.4904 7.2393 7.2484 8.6308 8.6360 8.9225 8.9343 9.8029 9.8099 k = 0.2895 0.2176 0.7951 ( 5604 PWs) bands (ev): -7.5578 -7.5566 -7.4356 -7.4307 -7.2742 -7.2740 -7.1501 -7.1448 -2.1917 -2.1746 -2.1631 -2.1521 -0.8042 -0.6620 -0.6279 -0.5776 -0.5132 -0.4537 -0.3054 -0.2308 -0.1080 -0.0552 -0.0034 0.0351 1.4470 1.4571 2.6091 2.6273 3.0135 3.0878 3.3236 3.3461 3.5838 3.6191 4.1286 4.1566 4.1921 4.2501 4.3369 4.4168 4.4908 4.4996 7.2330 7.2423 8.6233 8.6295 8.9320 8.9457 9.8020 9.8105 k = 0.3026 0.2275 0.7827 ( 5608 PWs) bands (ev): -7.5603 -7.5587 -7.4349 -7.4303 -7.2734 -7.2731 -7.1493 -7.1442 -2.1924 -2.1766 -2.1627 -2.1511 -0.8023 -0.6717 -0.6309 -0.5705 -0.5121 -0.4558 -0.3345 -0.2521 -0.0866 -0.0309 0.0171 0.0507 1.4620 1.4730 2.5784 2.5959 2.9829 3.0549 3.3245 3.3466 3.6072 3.6379 4.1264 4.1432 4.1892 4.2566 4.3417 4.4252 4.4998 4.5109 7.2243 7.2337 8.6143 8.6208 8.9460 8.9614 9.8023 9.8118 k = 0.3158 0.2374 0.7703 ( 5608 PWs) bands (ev): -7.5627 -7.5609 -7.4344 -7.4301 -7.2724 -7.2721 -7.1485 -7.1436 -2.1933 -2.1788 -2.1628 -2.1500 -0.8003 -0.6828 -0.6347 -0.5636 -0.5102 -0.4590 -0.3579 -0.2694 -0.0717 -0.0118 0.0402 0.0759 1.4808 1.4926 2.5420 2.5597 2.9477 3.0163 3.3273 3.3466 3.6283 3.6557 4.1228 4.1322 4.1853 4.2615 4.3482 4.4347 4.5118 4.5245 7.2138 7.2230 8.6044 8.6107 8.9643 8.9809 9.8041 9.8143 k = 0.3289 0.2472 0.7580 ( 5616 PWs) bands (ev): -7.5648 -7.5629 -7.4343 -7.4304 -7.2712 -7.2709 -7.1479 -7.1432 -2.1944 -2.1809 -2.1632 -2.1488 -0.7989 -0.6948 -0.6392 -0.5581 -0.5080 -0.4628 -0.3740 -0.2822 -0.0615 0.0008 0.0674 0.1079 1.5031 1.5155 2.5017 2.5204 2.9086 2.9732 3.3322 3.3473 3.6446 3.6696 4.1141 4.1277 4.1811 4.2649 4.3552 4.4432 4.5274 4.5406 7.2021 7.2107 8.5946 8.5998 8.9865 9.0042 9.8074 9.8180 k = 0.3421 0.2571 0.7456 ( 5620 PWs) bands (ev): -7.5666 -7.5645 -7.4347 -7.4312 -7.2699 -7.2696 -7.1474 -7.1430 -2.1959 -2.1831 -2.1638 -2.1478 -0.7988 -0.7067 -0.6440 -0.5548 -0.5071 -0.4655 -0.3823 -0.2905 -0.0541 0.0086 0.0979 0.1428 1.5283 1.5413 2.4592 2.4797 2.8667 2.9268 3.3390 3.3490 3.6549 3.6778 4.1039 4.1262 4.1774 4.2673 4.3612 4.4492 4.5466 4.5591 7.1903 7.1979 8.5852 8.5889 9.0119 9.0309 9.8122 9.8230 k = 0.3553 0.2670 0.7332 ( 5625 PWs) bands (ev): -7.5679 -7.5656 -7.4356 -7.4324 -7.2685 -7.2681 -7.1471 -7.1430 -2.1977 -2.1852 -2.1647 -2.1470 -0.8008 -0.7173 -0.6491 -0.5537 -0.5091 -0.4649 -0.3831 -0.2941 -0.0484 0.0140 0.1295 0.1786 1.5559 1.5694 2.4162 2.4390 2.8229 2.8786 3.3466 3.3519 3.6587 3.6793 4.0948 4.1251 4.1749 4.2689 4.3649 4.4520 4.5681 4.5795 7.1793 7.1856 8.5768 8.5787 9.0398 9.0608 9.8180 9.8291 k = 0.3684 0.2769 0.7208 ( 5629 PWs) bands (ev): -7.5685 -7.5662 -7.4370 -7.4342 -7.2669 -7.2666 -7.1472 -7.1434 -2.2000 -2.1872 -2.1657 -2.1465 -0.8059 -0.7260 -0.6541 -0.5545 -0.5126 -0.4619 -0.3775 -0.2927 -0.0437 0.0181 0.1607 0.2139 1.5855 1.5994 2.3740 2.3994 2.7781 2.8297 3.3530 3.3570 3.6560 3.6743 4.0873 4.1238 4.1737 4.2701 4.3659 4.4516 4.5899 4.6005 7.1703 7.1751 8.5690 8.5706 9.0696 9.0932 9.8244 9.8361 k = 0.3816 0.2868 0.7085 ( 5626 PWs) bands (ev): -7.5685 -7.5661 -7.4391 -7.4367 -7.2652 -7.2649 -7.1476 -7.1441 -2.2027 -2.1892 -2.1667 -2.1462 -0.8141 -0.7326 -0.6585 -0.5569 -0.5153 -0.4588 -0.3664 -0.2863 -0.0396 0.0217 0.1904 0.2478 1.6164 1.6307 2.3340 2.3619 2.7334 2.7811 3.3566 3.3647 3.6473 3.6633 4.0815 4.1226 4.1739 4.2709 4.3638 4.4484 4.6098 4.6206 7.1643 7.1677 8.5615 8.5654 9.1004 9.1277 9.8302 9.8434 k = 0.3947 0.2967 0.6961 ( 5628 PWs) bands (ev): -7.5678 -7.5653 -7.4419 -7.4398 -7.2634 -7.2630 -7.1483 -7.1450 -2.2058 -2.1910 -2.1678 -2.1464 -0.8247 -0.7380 -0.6619 -0.5600 -0.5164 -0.4567 -0.3508 -0.2747 -0.0359 0.0252 0.2179 0.2795 1.6480 1.6625 2.2972 2.3274 2.6898 2.7340 3.3592 3.3722 3.6331 3.6472 4.0774 4.1216 4.1750 4.2715 4.3589 4.4427 4.6264 4.6381 7.1620 7.1645 8.5558 8.5626 9.1315 9.1633 9.8345 9.8505 k = 0.4079 0.3066 0.6837 ( 5628 PWs) bands (ev): -7.5664 -7.5639 -7.4455 -7.4435 -7.2614 -7.2610 -7.1492 -7.1462 -2.2093 -2.1928 -2.1689 -2.1468 -0.8366 -0.7431 -0.6639 -0.5632 -0.5161 -0.4557 -0.3316 -0.2580 -0.0323 0.0287 0.2425 0.3087 1.6793 1.6942 2.2644 2.2967 2.6483 2.6892 3.3607 3.3784 3.6142 3.6267 4.0748 4.1212 4.1766 4.2717 4.3514 4.4350 4.6384 4.6513 7.1638 7.1667 8.5523 8.5621 9.1623 9.1992 9.8357 9.8563 k = 0.4211 0.3165 0.6714 ( 5634 PWs) bands (ev): -7.5643 -7.5617 -7.4500 -7.4481 -7.2593 -7.2589 -7.1504 -7.1475 -2.2131 -2.1946 -2.1699 -2.1475 -0.8489 -0.7484 -0.6646 -0.5659 -0.5147 -0.4554 -0.3095 -0.2367 -0.0288 0.0327 0.2636 0.3346 1.7097 1.7250 2.2364 2.2703 2.6099 2.6478 3.3608 3.3829 3.5914 3.6028 4.0737 4.1215 4.1783 4.2710 4.3420 4.4254 4.6451 4.6592 7.1704 7.1747 8.5514 8.5642 9.1920 9.2343 9.8326 9.8594 k = 0.4342 0.3264 0.6590 ( 5637 PWs) bands (ev): -7.5615 -7.5588 -7.4554 -7.4535 -7.2570 -7.2566 -7.1517 -7.1489 -2.2171 -2.1964 -2.1710 -2.1484 -0.8610 -0.7541 -0.6644 -0.5682 -0.5126 -0.4557 -0.2845 -0.2116 -0.0250 0.0373 0.2809 0.3570 1.7381 1.7538 2.2137 2.2486 2.5755 2.6110 3.3590 3.3850 3.5658 3.5763 4.0736 4.1225 4.1798 4.2685 4.3314 4.4143 4.6464 4.6615 7.1824 7.1880 8.5531 8.5690 9.2196 9.2674 9.8241 9.8582 k = 0.4474 0.3362 0.6466 ( 5629 PWs) bands (ev): -7.5581 -7.5554 -7.4616 -7.4596 -7.2545 -7.2542 -7.1530 -7.1503 -2.2212 -2.1982 -2.1720 -2.1494 -0.8725 -0.7599 -0.6635 -0.5699 -0.5102 -0.4563 -0.2570 -0.1835 -0.0208 0.0429 0.2942 0.3757 1.7637 1.7796 2.1964 2.2318 2.5462 2.5797 3.3547 3.3839 3.5389 3.5481 4.0741 4.1239 4.1809 4.2631 4.3211 4.4020 4.6426 4.6584 7.1994 7.2063 8.5576 8.5766 9.2442 9.2971 9.8097 9.8517 k = 0.4605 0.3461 0.6342 ( 5631 PWs) bands (ev): -7.5543 -7.5515 -7.4688 -7.4666 -7.2519 -7.2515 -7.1541 -7.1515 -2.2254 -2.2000 -2.1730 -2.1504 -0.8831 -0.7655 -0.6624 -0.5712 -0.5076 -0.4571 -0.2270 -0.1538 -0.0157 0.0501 0.3033 0.3905 1.7854 1.8017 2.1845 2.2200 2.5227 2.5553 3.3471 3.3785 3.5123 3.5194 4.0745 4.1249 4.1819 4.2534 4.3120 4.3888 4.6344 4.6506 7.2212 7.2291 8.5649 8.5870 9.2646 9.3217 9.7898 9.8400 k = 0.4737 0.3560 0.6219 ( 5623 PWs) bands (ev): -7.5504 -7.5475 -7.4764 -7.4741 -7.2490 -7.2486 -7.1551 -7.1524 -2.2296 -2.2018 -2.1742 -2.1514 -0.8927 -0.7709 -0.6612 -0.5722 -0.5049 -0.4579 -0.1954 -0.1240 -0.0090 0.0598 0.3084 0.4016 1.8025 1.8191 2.1774 2.2131 2.5060 2.5386 3.3351 3.3674 3.4883 3.4917 4.0737 4.1241 4.1834 4.2394 4.3043 4.3750 4.6234 4.6396 7.2468 7.2554 8.5750 8.6001 9.2792 9.3396 9.7651 9.8238 k = 0.4868 0.3659 0.6095 ( 5618 PWs) bands (ev): -7.5471 -7.5441 -7.4840 -7.4816 -7.2459 -7.2455 -7.1557 -7.1529 -2.2336 -2.2037 -2.1755 -2.1523 -0.9013 -0.7758 -0.6602 -0.5731 -0.5022 -0.4588 -0.1635 -0.0958 0.0003 0.0733 0.3100 0.4093 1.8144 1.8316 2.1742 2.2107 2.4966 2.5301 3.3174 3.3494 3.4658 3.4694 4.0702 4.1202 4.1859 4.2229 4.2962 4.3609 4.6111 4.6270 7.2752 7.2841 8.5875 8.6155 9.2865 9.3484 9.7362 9.8042 k = 0.5000 0.3758 0.5971 ( 5632 PWs) bands (ev): -7.5458 -7.5429 -7.4901 -7.4877 -7.2425 -7.2421 -7.1559 -7.1530 -2.2375 -2.2055 -2.1769 -2.1529 -0.9089 -0.7802 -0.6593 -0.5739 -0.4996 -0.4596 -0.1341 -0.0709 0.0134 0.0921 0.3090 0.4140 1.8212 1.8391 2.1740 2.2122 2.4949 2.5298 3.2933 3.3243 3.4447 3.4546 4.0623 4.1121 4.1859 4.2096 4.2857 4.3474 4.5995 4.6150 7.3054 7.3142 8.6020 8.6328 9.2844 9.3462 9.7028 9.7796 k = 0.5000 0.3758 0.5971 ( 5632 PWs) bands (ev): -7.5458 -7.5429 -7.4901 -7.4877 -7.2425 -7.2421 -7.1559 -7.1530 -2.2375 -2.2055 -2.1769 -2.1529 -0.9089 -0.7802 -0.6593 -0.5739 -0.4996 -0.4596 -0.1341 -0.0709 0.0134 0.0921 0.3090 0.4140 1.8212 1.8391 2.1740 2.2122 2.4949 2.5298 3.2933 3.3243 3.4447 3.4546 4.0623 4.1121 4.1859 4.2096 4.2857 4.3474 4.5995 4.6150 7.3054 7.3142 8.6020 8.6328 9.2844 9.3462 9.7028 9.7796 k = 0.5000 0.3758 0.5758 ( 5626 PWs) bands (ev): -7.5471 -7.5445 -7.4977 -7.4958 -7.2363 -7.2356 -7.1556 -7.1525 -2.2437 -2.2088 -2.1796 -2.1537 -0.9203 -0.7875 -0.6577 -0.5761 -0.4954 -0.4608 -0.0888 -0.0325 0.0432 0.1305 0.3067 0.4200 1.8292 1.8488 2.1758 2.2178 2.4984 2.5362 3.2449 3.2754 3.4138 3.4334 4.0436 4.0934 4.1764 4.1966 4.2654 4.3262 4.5804 4.5952 7.3582 7.3665 8.6267 8.6623 9.2676 9.3270 9.6359 9.7224 k = 0.5000 0.3758 0.5545 ( 5626 PWs) bands (ev): -7.5502 -7.5480 -7.5045 -7.5033 -7.2294 -7.2286 -7.1548 -7.1515 -2.2493 -2.2122 -2.1828 -2.1543 -0.9304 -0.7948 -0.6558 -0.5799 -0.4918 -0.4617 -0.0480 0.0024 0.0798 0.1684 0.3088 0.4263 1.8385 1.8600 2.1781 2.2240 2.5018 2.5423 3.1953 3.2261 3.3864 3.4135 4.0243 4.0740 4.1663 4.1828 4.2471 4.3061 4.5597 4.5747 7.4100 7.4179 8.6472 8.6875 9.2424 9.3004 9.5607 9.6513 k = 0.5000 0.3758 0.5331 ( 5622 PWs) bands (ev): -7.5555 -7.5535 -7.5103 -7.5093 -7.2220 -7.2211 -7.1533 -7.1499 -2.2542 -2.2157 -2.1862 -2.1547 -0.9392 -0.8021 -0.6537 -0.5850 -0.4894 -0.4618 -0.0139 0.0329 0.1241 0.2013 0.3197 0.4332 1.8494 1.8731 2.1810 2.2309 2.5049 2.5481 3.1463 3.1770 3.3625 3.3949 4.0047 4.0541 4.1555 4.1686 4.2309 4.2874 4.5378 4.5538 7.4599 7.4673 8.6619 8.7062 9.2101 9.2686 9.4797 9.5674 k = 0.5000 0.3758 0.5118 ( 5616 PWs) bands (ev): -7.5633 -7.5611 -7.5153 -7.5138 -7.2141 -7.2130 -7.1511 -7.1476 -2.2584 -2.2193 -2.1898 -2.1549 -0.9467 -0.8092 -0.6516 -0.5913 -0.4883 -0.4609 0.0133 0.0569 0.1738 0.2270 0.3429 0.4416 1.8620 1.8882 2.1845 2.2386 2.5075 2.5535 3.0993 3.1289 3.3420 3.3781 3.9848 4.0338 4.1436 4.1543 4.2164 4.2699 4.5151 4.5328 7.5069 7.5137 8.6691 8.7164 9.1709 9.2314 9.3957 9.4771 k = 0.5000 0.3758 0.4905 ( 5616 PWs) bands (ev): -7.5730 -7.5703 -7.5196 -7.5175 -7.2057 -7.2045 -7.1481 -7.1446 -2.2618 -2.2230 -2.1934 -2.1551 -0.9531 -0.8163 -0.6497 -0.5985 -0.4887 -0.4590 0.0343 0.0723 0.2207 0.2553 0.3745 0.4536 1.8765 1.9057 2.1886 2.2471 2.5094 2.5583 3.0555 3.0828 3.3248 3.3633 3.9647 4.0135 4.1303 4.1406 4.2038 4.2534 4.4921 4.5120 7.5499 7.5562 8.6678 8.7161 9.1238 9.1857 9.3132 9.3889 k = 0.5000 0.3758 0.4692 ( 5630 PWs) bands (ev): -7.5839 -7.5809 -7.5234 -7.5209 -7.1969 -7.1956 -7.1444 -7.1408 -2.2643 -2.2268 -2.1970 -2.1551 -0.9583 -0.8231 -0.6480 -0.6066 -0.4903 -0.4563 0.0492 0.0776 0.2517 0.3037 0.4047 0.4739 1.8932 1.9258 2.1935 2.2565 2.5104 2.5626 3.0159 3.0397 3.3106 3.3506 3.9445 3.9932 4.1155 4.1277 4.1929 4.2381 4.4692 4.4915 7.5878 7.5937 8.6573 8.7042 9.0661 9.1248 9.2390 9.3097 k = 0.5000 0.3758 0.4478 ( 5630 PWs) bands (ev): -7.5956 -7.5923 -7.5271 -7.5244 -7.1877 -7.1864 -7.1399 -7.1363 -2.2661 -2.2305 -2.2005 -2.1551 -0.9626 -0.8297 -0.6467 -0.6153 -0.4927 -0.4532 0.0556 0.0760 0.2782 0.3623 0.4258 0.5064 1.9119 1.9486 2.1991 2.2668 2.5104 2.5662 2.9813 3.0006 3.2993 3.3403 3.9245 3.9731 4.0997 4.1153 4.1836 4.2237 4.4468 4.4715 7.6198 7.6252 8.6374 8.6808 8.9960 9.0466 9.1767 9.2432 k = 0.5000 0.3758 0.4265 ( 5628 PWs) bands (ev): -7.6077 -7.6042 -7.5310 -7.5282 -7.1782 -7.1768 -7.1348 -7.1312 -2.2670 -2.2343 -2.2039 -2.1549 -0.9658 -0.8360 -0.6460 -0.6244 -0.4958 -0.4500 0.0471 0.0761 0.3063 0.4222 0.4406 0.5476 1.9328 1.9740 2.2054 2.2779 2.5090 2.5689 2.9522 2.9666 3.2906 3.3325 3.9046 3.9533 4.0836 4.1029 4.1760 4.2102 4.4251 4.4522 7.6449 7.6498 8.6084 8.6467 8.9152 8.9585 9.1239 9.1881 k = 0.5000 0.3758 0.4052 ( 5628 PWs) bands (ev): -7.6199 -7.6164 -7.5352 -7.5324 -7.1684 -7.1669 -7.1289 -7.1255 -2.2672 -2.2379 -2.2072 -2.1547 -0.9681 -0.8419 -0.6464 -0.6334 -0.4994 -0.4470 0.0276 0.0763 0.3350 0.4493 0.4858 0.5923 1.9554 2.0018 2.2125 2.2897 2.5061 2.5708 2.9286 2.9399 3.2845 3.3272 3.8849 3.9338 4.0672 4.0904 4.1701 4.1976 4.4045 4.4336 7.6624 7.6670 8.5705 8.6032 8.8283 8.8677 9.0789 9.1413 k = 0.5000 0.3758 0.3839 ( 5632 PWs) bands (ev): -7.6323 -7.6287 -7.5398 -7.5370 -7.1583 -7.1568 -7.1226 -7.1192 -2.2666 -2.2414 -2.2104 -2.1544 -0.9695 -0.8475 -0.6502 -0.6398 -0.5033 -0.4443 0.0025 0.0731 0.3630 0.4597 0.5465 0.6383 1.9795 2.0314 2.2204 2.3022 2.5015 2.5715 2.9093 2.9233 3.2807 3.3244 3.8657 3.9147 4.0509 4.0776 4.1657 4.1860 4.3851 4.4159 7.6719 7.6762 8.5243 8.5517 8.7398 8.7784 9.0420 9.1016 k = 0.5000 0.3758 0.3625 ( 5628 PWs) bands (ev): -7.6444 -7.6409 -7.5447 -7.5420 -7.1481 -7.1466 -7.1158 -7.1126 -2.2653 -2.2447 -2.2136 -2.1541 -0.9700 -0.8527 -0.6590 -0.6421 -0.5076 -0.4421 -0.0261 0.0659 0.3888 0.4698 0.6065 0.6850 2.0045 2.0617 2.2288 2.3149 2.4953 2.5709 2.8959 2.9171 3.2790 3.3240 3.8469 3.8960 4.0346 4.0646 4.1626 4.1755 4.3672 4.3992 7.6734 7.6773 8.4707 8.4936 8.6535 8.6929 9.0133 9.0688 k = 0.5000 0.3758 0.3412 ( 5634 PWs) bands (ev): -7.6564 -7.6529 -7.5499 -7.5473 -7.1378 -7.1363 -7.1087 -7.1056 -2.2635 -2.2476 -2.2165 -2.1537 -0.9695 -0.8575 -0.6697 -0.6432 -0.5122 -0.4405 -0.0569 0.0548 0.4116 0.4798 0.6652 0.7324 2.0296 2.0918 2.2379 2.3274 2.4878 2.5689 2.8905 2.9207 3.2792 3.3259 3.8286 3.8777 4.0184 4.0512 4.1592 4.1676 4.3508 4.3833 7.6671 7.6704 8.4111 8.4307 8.5715 8.6123 8.9924 9.0425 k = 0.5000 0.3758 0.3199 ( 5632 PWs) bands (ev): -7.6680 -7.6646 -7.5553 -7.5529 -7.1274 -7.1259 -7.1013 -7.0985 -2.2614 -2.2499 -2.2194 -2.1534 -0.9682 -0.8617 -0.6811 -0.6443 -0.5171 -0.4398 -0.0889 0.0404 0.4307 0.4897 0.7225 0.7804 2.0544 2.1202 2.2473 2.3392 2.4795 2.5655 2.8946 2.9338 3.2813 3.3298 3.8110 3.8598 4.0022 4.0375 4.1527 4.1653 4.3360 4.3685 7.6534 7.6557 8.3471 8.3656 8.4952 8.5368 8.9782 9.0222 k = 0.5000 0.3758 0.2986 ( 5632 PWs) bands (ev): -7.6793 -7.6759 -7.5609 -7.5586 -7.1172 -7.1157 -7.0939 -7.0912 -2.2596 -2.2511 -2.2220 -2.1530 -0.9660 -0.8654 -0.6929 -0.6457 -0.5224 -0.4403 -0.1211 0.0232 0.4462 0.4991 0.7781 0.8291 2.0780 2.1458 2.2567 2.3491 2.4713 2.5608 2.9088 2.9564 3.2851 3.3356 3.7940 3.8423 3.9860 4.0235 4.1449 4.1664 4.3229 4.3545 7.6329 7.6339 8.2808 8.3016 8.4249 8.4664 8.9692 9.0066 k = 0.5000 0.3758 0.2772 ( 5634 PWs) bands (ev): -7.6900 -7.6868 -7.5665 -7.5644 -7.1071 -7.1056 -7.0864 -7.0840 -2.2594 -2.2501 -2.2244 -2.1527 -0.9628 -0.8686 -0.7049 -0.6475 -0.5279 -0.4422 -0.1526 0.0036 0.4585 0.5075 0.8320 0.8782 2.1000 2.1680 2.2656 2.3558 2.4646 2.5553 2.9331 2.9879 3.2906 3.3430 3.7778 3.8252 3.9696 4.0090 4.1375 4.1692 4.3114 4.3413 7.6055 7.6062 8.2151 8.2410 8.3600 8.4008 8.9639 8.9946 k = 0.5000 0.3758 0.2559 ( 5626 PWs) bands (ev): -7.7002 -7.6972 -7.5721 -7.5702 -7.0973 -7.0957 -7.0791 -7.0769 -2.2604 -2.2476 -2.2261 -2.1525 -0.9586 -0.8711 -0.7170 -0.6498 -0.5338 -0.4460 -0.1822 -0.0175 0.4681 0.5145 0.8841 0.9272 2.1201 2.1863 2.2733 2.3580 2.4607 2.5495 2.9669 3.0275 3.2977 3.3518 3.7624 3.8086 3.9529 3.9941 4.1309 4.1730 4.3015 4.3289 7.5715 7.5740 8.1530 8.1854 8.3002 8.3396 8.9605 8.9845 k = 0.5000 0.3758 0.2346 ( 5618 PWs) bands (ev): -7.7098 -7.7069 -7.5776 -7.5758 -7.0878 -7.0863 -7.0719 -7.0699 -2.2617 -2.2450 -2.2268 -2.1525 -0.9535 -0.8730 -0.7292 -0.6526 -0.5400 -0.4522 -0.2087 -0.0398 0.4757 0.5198 0.9345 0.9754 2.1382 2.2013 2.2791 2.3550 2.4603 2.5437 3.0089 3.0741 3.3065 3.3619 3.7478 3.7926 3.9358 3.9788 4.1251 4.1776 4.2931 4.3170 7.5330 7.5370 8.0967 8.1359 8.2451 8.2828 8.9570 8.9746 k = 0.5000 0.3758 0.2133 ( 5622 PWs) bands (ev): -7.7187 -7.7160 -7.5828 -7.5813 -7.0788 -7.0773 -7.0650 -7.0633 -2.2629 -2.2437 -2.2256 -2.1526 -0.9473 -0.8741 -0.7413 -0.6564 -0.5465 -0.4611 -0.2312 -0.0626 0.4816 0.5234 0.9831 1.0222 2.1542 2.2132 2.2825 2.3472 2.4633 2.5386 3.0574 3.1259 3.3172 3.3732 3.7342 3.7770 3.9183 3.9630 4.1202 4.1826 4.2861 4.3055 7.4911 7.4961 8.0476 8.0930 8.1948 8.2304 8.9487 8.9632 k = 0.5000 0.3758 0.1919 ( 5612 PWs) bands (ev): -7.7269 -7.7244 -7.5878 -7.5865 -7.0704 -7.0689 -7.0585 -7.0570 -2.2639 -2.2440 -2.2223 -2.1529 -0.9401 -0.8744 -0.7534 -0.6613 -0.5531 -0.4726 -0.2490 -0.0854 0.4864 0.5255 1.0297 1.0670 2.1682 2.2227 2.2833 2.3361 2.4683 2.5342 3.1106 3.1807 3.3303 3.3859 3.7215 3.7621 3.9000 3.9466 4.1160 4.1875 4.2802 4.2946 7.4472 7.4525 8.0065 8.0567 8.1493 8.1827 8.9252 8.9498 k = 0.5000 0.3758 0.1706 ( 5600 PWs) bands (ev): -7.7343 -7.7321 -7.5925 -7.5913 -7.0626 -7.0611 -7.0524 -7.0511 -2.2646 -2.2453 -2.2176 -2.1535 -0.9318 -0.8738 -0.7652 -0.6677 -0.5596 -0.4862 -0.2617 -0.1078 0.4903 0.5262 1.0740 1.1091 2.1805 2.2303 2.2817 2.3231 2.4744 2.5307 3.1660 3.2350 3.3471 3.4005 3.7099 3.7478 3.8809 3.9298 4.1127 4.1920 4.2752 4.2845 7.4027 7.4077 7.9733 8.0266 8.1091 8.1397 8.8842 8.9267 k = 0.5000 0.3758 0.1493 ( 5598 PWs) bands (ev): -7.7409 -7.7389 -7.5968 -7.5957 -7.0556 -7.0541 -7.0468 -7.0457 -2.2650 -2.2472 -2.2121 -2.1545 -0.9225 -0.8723 -0.7767 -0.6764 -0.5658 -0.5007 -0.2698 -0.1295 0.4935 0.5258 1.1154 1.1480 2.1910 2.2362 2.2782 2.3091 2.4809 2.5280 3.2210 3.2830 3.3707 3.4188 3.6994 3.7343 3.8607 3.9122 4.1102 4.1950 4.2700 4.2763 7.3592 7.3633 7.9476 8.0018 8.0745 8.1017 8.8349 8.8878 k = 0.5000 0.3758 0.1280 ( 5598 PWs) bands (ev): -7.7467 -7.7450 -7.6006 -7.5997 -7.0494 -7.0480 -7.0417 -7.0408 -2.2652 -2.2492 -2.2063 -2.1558 -0.9124 -0.8696 -0.7877 -0.6876 -0.5712 -0.5151 -0.2739 -0.1502 0.4962 0.5246 1.1535 1.1829 2.2001 2.2407 2.2734 2.2951 2.4872 2.5259 3.2720 3.3184 3.4023 3.4456 3.6903 3.7216 3.8392 3.8939 4.1087 4.1956 4.2636 4.2716 7.3179 7.3209 7.9286 7.9812 8.0460 8.0691 8.7849 8.8396 k = 0.5000 0.3758 0.1066 ( 5600 PWs) bands (ev): -7.7516 -7.7502 -7.6038 -7.6031 -7.0442 -7.0429 -7.0372 -7.0365 -2.2650 -2.2513 -2.2004 -2.1576 -0.9016 -0.8656 -0.7980 -0.7017 -0.5752 -0.5283 -0.2747 -0.1697 0.4987 0.5227 1.1878 1.2135 2.2076 2.2439 2.2679 2.2819 2.4933 2.5243 3.3139 3.3427 3.4365 3.4863 3.6826 3.7099 3.8162 3.8743 4.1086 4.1926 4.2585 4.2689 7.2803 7.2822 7.9154 7.9635 8.0239 8.0419 8.7384 8.7900 k = 0.5000 0.3758 0.0853 ( 5610 PWs) bands (ev): -7.7556 -7.7545 -7.6066 -7.6060 -7.0398 -7.0387 -7.0333 -7.0328 -2.2646 -2.2534 -2.1945 -2.1598 -0.8909 -0.8601 -0.8072 -0.7182 -0.5777 -0.5400 -0.2727 -0.1877 0.5010 0.5205 1.2175 1.2389 2.2139 2.2457 2.2623 2.2704 2.4988 2.5229 3.3425 3.3615 3.4735 3.5353 3.6768 3.6993 3.7916 3.8532 4.1100 4.1854 4.2561 4.2670 7.2475 7.2485 7.9070 7.9478 8.0079 8.0204 8.6981 8.7435 k = 0.5000 0.3758 0.0640 ( 5614 PWs) bands (ev): -7.7588 -7.7579 -7.6087 -7.6083 -7.0364 -7.0356 -7.0302 -7.0298 -2.2640 -2.2554 -2.1888 -2.1625 -0.8807 -0.8537 -0.8140 -0.7365 -0.5784 -0.5500 -0.2684 -0.2042 0.5032 0.5180 1.2421 1.2587 2.2189 2.2454 2.2572 2.2622 2.5038 2.5214 3.3603 3.3755 3.5149 3.5842 3.6732 3.6901 3.7657 3.8299 4.1134 4.1748 4.2559 4.2655 7.2207 7.2211 7.9025 7.9340 7.9973 8.0046 8.6663 8.7029 k = 0.5000 0.3758 0.0427 ( 5618 PWs) bands (ev): -7.7610 -7.7604 -7.6102 -7.6099 -7.0340 -7.0334 -7.0278 -7.0276 -2.2630 -2.2573 -2.1834 -2.1657 -0.8716 -0.8492 -0.8152 -0.7557 -0.5774 -0.5584 -0.2621 -0.2191 0.5055 0.5154 1.2610 1.2724 2.2230 2.2416 2.2541 2.2577 2.5082 2.5197 3.3722 3.3836 3.5575 3.6251 3.6735 3.6828 3.7406 3.8040 4.1191 4.1624 4.2572 4.2640 7.2007 7.2010 7.9011 7.9222 7.9907 7.9941 8.6444 8.6701 k = 0.5000 0.3758 0.0213 ( 5614 PWs) bands (ev): -7.7622 -7.7619 -7.6111 -7.6110 -7.0324 -7.0321 -7.0264 -7.0263 -2.2619 -2.2590 -2.1783 -2.1694 -0.8636 -0.8507 -0.8071 -0.7747 -0.5749 -0.5653 -0.2539 -0.2324 0.5078 0.5128 1.2738 1.2795 2.2268 2.2360 2.2536 2.2553 2.5119 2.5177 3.3805 3.3866 3.5974 3.6423 3.6772 3.6809 3.7275 3.7753 4.1272 4.1496 4.2589 4.2624 7.1884 7.1886 7.9024 7.9130 7.9871 7.9884 8.6337 8.6470 k = 0.5000 0.3758-0.0000 ( 5606 PWs) bands (ev): -7.7625 -7.7625 -7.6114 -7.6114 -7.0318 -7.0318 -7.0259 -7.0259 -2.2605 -2.2605 -2.1736 -2.1736 -0.8564 -0.8564 -0.7924 -0.7924 -0.5708 -0.5708 -0.2440 -0.2440 0.5103 0.5103 1.2800 1.2800 2.2309 2.2309 2.2541 2.2541 2.5151 2.5151 3.3854 3.3854 3.6292 3.6292 3.6784 3.6784 3.7457 3.7457 4.1375 4.1375 4.2607 4.2607 7.1843 7.1843 7.9064 7.9064 7.9863 7.9863 8.6346 8.6346 k = 0.0000 0.0000 0.8322 ( 5640 PWs) bands (ev): -7.5550 -7.5550 -7.4352 -7.4352 -7.2728 -7.2728 -7.1482 -7.1482 -2.1780 -2.1780 -2.1601 -2.1601 -0.7071 -0.7071 -0.6607 -0.6607 -0.5501 -0.5501 -0.3944 -0.3944 -0.1116 -0.1116 0.3544 0.3544 1.7905 1.7905 2.1774 2.1774 2.4765 2.4765 3.5691 3.5691 3.7162 3.7162 4.1998 4.1998 4.2626 4.2626 4.5720 4.5720 4.6595 4.6595 6.9328 6.9328 8.3907 8.3907 9.1113 9.1113 9.7625 9.7625 k = 0.0167 0.0125 0.8322 ( 5638 PWs) bands (ev): -7.5550 -7.5549 -7.4354 -7.4349 -7.2729 -7.2729 -7.1485 -7.1479 -2.1792 -2.1769 -2.1606 -2.1597 -0.7170 -0.6998 -0.6615 -0.6546 -0.5538 -0.5465 -0.3970 -0.3916 -0.1142 -0.1070 0.3489 0.3521 1.7839 1.7854 2.1801 2.1834 2.4794 2.4896 3.5673 3.5679 3.7153 3.7158 4.1988 4.2001 4.2613 4.2633 4.5689 4.5705 4.6569 4.6573 6.9358 6.9366 8.3930 8.3935 9.1095 9.1100 9.7630 9.7632 k = 0.0333 0.0251 0.8322 ( 5638 PWs) bands (ev): -7.5549 -7.5549 -7.4357 -7.4346 -7.2730 -7.2729 -7.1488 -7.1477 -2.1805 -2.1758 -2.1611 -2.1591 -0.7282 -0.6955 -0.6587 -0.6429 -0.5574 -0.5430 -0.3994 -0.3882 -0.1150 -0.1006 0.3360 0.3423 1.7663 1.7692 2.1919 2.1972 2.4980 2.5172 3.5625 3.5637 3.7131 3.7142 4.1971 4.1998 4.2593 4.2633 4.5613 4.5647 4.6497 4.6505 6.9454 6.9469 8.4002 8.4011 9.1044 9.1055 9.7645 9.7650 k = 0.0500 0.0376 0.8322 ( 5624 PWs) bands (ev): -7.5548 -7.5547 -7.4359 -7.4343 -7.2731 -7.2731 -7.1491 -7.1474 -2.1818 -2.1748 -2.1615 -2.1586 -0.7394 -0.6929 -0.6535 -0.6275 -0.5607 -0.5395 -0.4016 -0.3842 -0.1139 -0.0926 0.3160 0.3253 1.7398 1.7443 2.2130 2.2186 2.5300 2.5565 3.5547 3.5565 3.7095 3.7113 4.1945 4.1989 4.2565 4.2626 4.5494 4.5549 4.6384 4.6395 6.9611 6.9634 8.4120 8.4134 9.0963 9.0978 9.7670 9.7678 k = 0.0667 0.0501 0.8322 ( 5626 PWs) bands (ev): -7.5547 -7.5546 -7.4362 -7.4340 -7.2733 -7.2732 -7.1494 -7.1472 -2.1830 -2.1740 -2.1619 -2.1580 -0.7500 -0.6906 -0.6467 -0.6104 -0.5628 -0.5362 -0.4035 -0.3790 -0.1111 -0.0833 0.2897 0.3019 1.7071 1.7130 2.2426 2.2471 2.5723 2.6047 3.5437 3.5461 3.7044 3.7070 4.1910 4.1977 4.2529 4.2614 4.5335 4.5418 4.6236 4.6251 6.9823 6.9854 8.4280 8.4298 9.0851 9.0872 9.7704 9.7715 k = 0.0833 0.0626 0.8322 ( 5636 PWs) bands (ev): -7.5545 -7.5544 -7.4364 -7.4337 -7.2735 -7.2734 -7.1497 -7.1470 -2.1842 -2.1732 -2.1624 -2.1575 -0.7599 -0.6881 -0.6389 -0.5956 -0.5607 -0.5329 -0.4049 -0.3723 -0.1069 -0.0730 0.2580 0.2730 1.6709 1.6780 2.2796 2.2821 2.6218 2.6592 3.5296 3.5325 3.6975 3.7011 4.1867 4.1962 4.2484 4.2595 4.5143 4.5260 4.6062 4.6081 7.0081 7.0119 8.4476 8.4499 9.0710 9.0737 9.7745 9.7759 k = 0.1000 0.0752 0.8322 ( 5638 PWs) bands (ev): -7.5544 -7.5542 -7.4366 -7.4335 -7.2737 -7.2737 -7.1500 -7.1468 -2.1854 -2.1726 -2.1628 -2.1568 -0.7689 -0.6850 -0.6307 -0.5896 -0.5485 -0.5297 -0.4055 -0.3636 -0.1017 -0.0620 0.2218 0.2394 1.6332 1.6412 2.3224 2.3226 2.6761 2.7179 3.5123 3.5157 3.6886 3.6936 4.1815 4.1946 4.2430 4.2570 4.4924 4.5085 4.5873 4.5895 7.0373 7.0418 8.4702 8.4729 9.0544 9.0576 9.7790 9.7808 k = 0.1167 0.0877 0.8322 ( 5632 PWs) bands (ev): -7.5542 -7.5540 -7.4367 -7.4332 -7.2740 -7.2739 -7.1503 -7.1466 -2.1865 -2.1721 -2.1632 -2.1562 -0.7770 -0.6815 -0.6224 -0.5909 -0.5283 -0.5267 -0.4045 -0.3524 -0.0958 -0.0507 0.1821 0.2023 1.5960 1.6045 2.3672 2.3696 2.7331 2.7791 3.4919 3.4958 3.6773 3.6842 4.1756 4.1930 4.2366 4.2540 4.4686 4.4903 4.5678 4.5704 7.0688 7.0740 8.4947 8.4979 9.0356 9.0395 9.7837 9.7860 k = 0.1333 0.1002 0.8322 ( 5616 PWs) bands (ev): -7.5540 -7.5538 -7.4369 -7.4330 -7.2742 -7.2742 -7.1506 -7.1464 -2.1874 -2.1718 -2.1636 -2.1556 -0.7841 -0.6774 -0.6145 -0.5948 -0.5238 -0.5061 -0.4007 -0.3383 -0.0897 -0.0397 0.1401 0.1627 1.5604 1.5692 2.4146 2.4196 2.7909 2.8411 3.4687 3.4729 3.6635 3.6729 4.1690 4.1915 4.2295 4.2505 4.4441 4.4725 4.5489 4.5517 7.1012 7.1071 8.5204 8.5239 9.0154 9.0199 9.7884 9.7911 k = 0.1500 0.1127 0.8322 ( 5608 PWs) bands (ev): -7.5538 -7.5536 -7.4370 -7.4327 -7.2745 -7.2744 -7.1508 -7.1463 -2.1883 -2.1715 -2.1639 -2.1551 -0.7903 -0.6729 -0.6074 -0.5997 -0.5212 -0.4856 -0.3918 -0.3208 -0.0843 -0.0297 0.0969 0.1217 1.5276 1.5365 2.4630 2.4707 2.8479 2.9026 3.4433 3.4477 3.6469 3.6598 4.1620 4.1902 4.2218 4.2468 4.4196 4.4559 4.5313 4.5343 7.1332 7.1397 8.5460 8.5497 8.9947 8.9999 9.7928 9.7959 k = 0.1667 0.1253 0.8322 ( 5606 PWs) bands (ev): -7.5536 -7.5534 -7.4371 -7.4325 -7.2747 -7.2746 -7.1510 -7.1462 -2.1891 -2.1713 -2.1643 -2.1546 -0.7955 -0.6680 -0.6050 -0.6012 -0.5190 -0.4702 -0.3754 -0.2997 -0.0809 -0.0218 0.0541 0.0809 1.4984 1.5073 2.5106 2.5211 2.9025 2.9620 3.4166 3.4210 3.6276 3.6452 4.1550 4.1893 4.2140 4.2430 4.3964 4.4414 4.5157 4.5187 7.1634 7.1704 8.5706 8.5744 8.9743 8.9802 9.7966 9.8002 k = 0.1833 0.1378 0.8322 ( 5598 PWs) bands (ev): -7.5534 -7.5532 -7.4372 -7.4324 -7.2749 -7.2748 -7.1512 -7.1461 -2.1897 -2.1711 -2.1645 -2.1541 -0.7997 -0.6629 -0.6105 -0.5962 -0.5171 -0.4607 -0.3504 -0.2750 -0.0822 -0.0196 0.0149 0.0441 1.4736 1.4823 2.5552 2.5684 2.9528 3.0171 3.3902 3.3939 3.6063 3.6298 4.1483 4.1888 4.2065 4.2394 4.3754 4.4293 4.5026 4.5055 7.1904 7.1980 8.5928 8.5965 8.9554 8.9621 9.7998 9.8037 k = 0.2000 0.1503 0.8322 ( 5598 PWs) bands (ev): -7.5533 -7.5531 -7.4373 -7.4323 -7.2751 -7.2750 -7.1513 -7.1460 -2.1902 -2.1710 -2.1648 -2.1538 -0.8030 -0.6578 -0.6160 -0.5923 -0.5157 -0.4556 -0.3189 -0.2468 -0.0946 -0.0338 -0.0140 0.0225 1.4536 1.4622 2.5943 2.6103 2.9966 3.0656 3.3662 3.3684 3.5841 3.6147 4.1423 4.1887 4.2000 4.2363 4.3577 4.4199 4.4922 4.4950 7.2129 7.2210 8.6116 8.6151 8.9391 8.9467 9.8022 9.8064 k = 0.2167 0.1628 0.8322 ( 5614 PWs) bands (ev): -7.5532 -7.5530 -7.4374 -7.4322 -7.2753 -7.2752 -7.1514 -7.1460 -2.1906 -2.1710 -2.1649 -2.1535 -0.8054 -0.6529 -0.6212 -0.5896 -0.5146 -0.4531 -0.2830 -0.2155 -0.1228 -0.0664 -0.0276 0.0184 1.4390 1.4474 2.6253 2.6436 3.0314 3.1041 3.3468 3.3473 3.5636 3.6016 4.1377 4.1887 4.1950 4.2340 4.3442 4.4133 4.4848 4.4874 7.2300 7.2383 8.6259 8.6292 8.9265 8.9348 9.8039 9.8083 k = 0.2333 0.1754 0.8322 ( 5610 PWs) bands (ev): -7.5531 -7.5529 -7.4374 -7.4321 -7.2753 -7.2752 -7.1515 -7.1460 -2.1908 -2.1709 -2.1650 -2.1533 -0.8068 -0.6488 -0.6255 -0.5880 -0.5140 -0.4519 -0.2448 -0.1819 -0.1601 -0.1039 -0.0318 0.0191 1.4302 1.4384 2.6453 2.6653 3.0542 3.1290 3.3321 3.3356 3.5485 3.5926 4.1347 4.1888 4.1919 4.2325 4.3357 4.4093 4.4804 4.4828 7.2406 7.2491 8.6349 8.6380 8.9186 8.9274 9.8049 9.8094 k = 0.2500 0.1879 0.8322 ( 5608 PWs) bands (ev): -7.5531 -7.5529 -7.4374 -7.4321 -7.2754 -7.2753 -7.1515 -7.1460 -2.1908 -2.1709 -2.1651 -2.1533 -0.8073 -0.6471 -0.6273 -0.5875 -0.5138 -0.4516 -0.2139 -0.1912 -0.1544 -0.1329 -0.0326 0.0195 1.4272 1.4354 2.6523 2.6729 3.0622 3.1376 3.3268 3.3318 3.5428 3.5894 4.1336 4.1889 4.1908 4.2320 4.3328 4.4080 4.4789 4.4813 7.2442 7.2528 8.6380 8.6409 8.9158 8.9249 9.8052 9.8097 Writing output data file Al2HgSe4.save init_run : 3.37s CPU 11.97s WALL ( 1 calls) electrons : 1068.21s CPU 1084.57s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 1.55s WALL ( 1 calls) Called by electrons: c_bands : 1068.19s CPU 1084.19s WALL ( 1 calls) v_of_rho : 0.12s CPU 1.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.11s CPU 0.69s WALL ( 1 calls) newd : 0.64s CPU 0.72s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 274 calls) cegterg : 1020.93s CPU 1033.73s WALL ( 647 calls) Called by sum_band: Called by *egterg: h_psi : 626.71s CPU 639.66s WALL ( 12036 calls) s_psi : 33.25s CPU 33.51s WALL ( 12036 calls) g_psi : 1.08s CPU 1.15s WALL ( 11115 calls) cdiaghg : 248.46s CPU 246.21s WALL ( 11389 calls) cegterg:over : 78.47s CPU 76.22s WALL ( 11115 calls) cegterg:upda : 18.28s CPU 23.19s WALL ( 11115 calls) cegterg:last : 16.18s CPU 17.28s WALL ( 2303 calls) Called by h_psi: h_psi:vloc : 553.57s CPU 564.59s WALL ( 12036 calls) h_psi:vnl : 72.67s CPU 73.94s WALL ( 12036 calls) add_vuspsi : 24.75s CPU 28.39s WALL ( 12036 calls) General routines calbec : 47.86s CPU 45.41s WALL ( 12036 calls) fft : 0.15s CPU 1.41s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 509.97s CPU 517.71s WALL ( 1418672 calls) interpolate : 0.04s CPU 0.08s WALL ( 4 calls) davcio : 0.03s CPU 1.13s WALL ( 548 calls) Parallel routines fft_scatter : 296.09s CPU 296.69s WALL ( 1418695 calls) PWSCF : 18m47.22s CPU 20m58.92s WALL This run was terminated on: 23:50:42 23Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=