Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:11:41 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Sr2NCl.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 69 39 11 1660 715 115 Max 70 40 12 1663 726 118 Sum 2501 1423 427 59817 25899 4195 bravais-lattice index = 14 lattice parameter (alat) = 13.8304 a.u. unit-cell volume = 615.5891 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.830440 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.858850 celldm(5)= 0.858850 celldm(6)= 0.858850 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.858850 0.512228 0.000000 ) a(3) = ( 0.858850 0.236666 0.454276 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.676694 -1.017075 ) b(2) = ( 0.000000 1.952256 -1.017075 ) b(3) = ( 0.000000 0.000000 2.201306 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Sr 10.00 87.62000 Sr( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, 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 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 313 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0104167 -0.0174656 -0.0105945), wk = 0.0031949 k( 3) = ( 0.0208333 -0.0349311 -0.0211891), wk = 0.0031949 k( 4) = ( 0.0312500 -0.0523967 -0.0317836), wk = 0.0031949 k( 5) = ( 0.0416667 -0.0698623 -0.0423781), wk = 0.0031949 k( 6) = ( 0.0520833 -0.0873278 -0.0529727), wk = 0.0031949 k( 7) = ( 0.0625000 -0.1047934 -0.0635672), wk = 0.0031949 k( 8) = ( 0.0729167 -0.1222590 -0.0741618), wk = 0.0031949 k( 9) = ( 0.0833333 -0.1397245 -0.0847563), wk = 0.0031949 k( 10) = ( 0.0937500 -0.1571901 -0.0953508), wk = 0.0031949 k( 11) = ( 0.1041667 -0.1746557 -0.1059454), wk = 0.0031949 k( 12) = ( 0.1145833 -0.1921212 -0.1165399), wk = 0.0031949 k( 13) = ( 0.1250000 -0.2095868 -0.1271344), wk = 0.0031949 k( 14) = ( 0.1354167 -0.2270524 -0.1377290), wk = 0.0031949 k( 15) = ( 0.1458333 -0.2445179 -0.1483235), wk = 0.0031949 k( 16) = ( 0.1562500 -0.2619835 -0.1589180), wk = 0.0031949 k( 17) = ( 0.1666667 -0.2794491 -0.1695126), wk = 0.0031949 k( 18) = ( 0.1770833 -0.2969146 -0.1801071), wk = 0.0031949 k( 19) = ( 0.1875000 -0.3143802 -0.1907017), wk = 0.0031949 k( 20) = ( 0.1979167 -0.3318457 -0.2012962), wk = 0.0031949 k( 21) = ( 0.2083333 -0.3493113 -0.2118907), wk = 0.0031949 k( 22) = ( 0.2187500 -0.3667769 -0.2224853), wk = 0.0031949 k( 23) = ( 0.2291667 -0.3842424 -0.2330798), wk = 0.0031949 k( 24) = ( 0.2395833 -0.4017080 -0.2436743), wk = 0.0031949 k( 25) = ( 0.2500000 -0.4191736 -0.2542689), wk = 0.0031949 k( 26) = ( 0.2604167 -0.4366391 -0.2648634), wk = 0.0031949 k( 27) = ( 0.2708333 -0.4541047 -0.2754579), wk = 0.0031949 k( 28) = ( 0.2812500 -0.4715703 -0.2860525), wk = 0.0031949 k( 29) = ( 0.2916667 -0.4890358 -0.2966470), wk = 0.0031949 k( 30) = ( 0.3020833 -0.5065014 -0.3072416), wk = 0.0031949 k( 31) = ( 0.3125000 -0.5239670 -0.3178361), wk = 0.0031949 k( 32) = ( 0.3229167 -0.5414325 -0.3284306), wk = 0.0031949 k( 33) = ( 0.3333333 -0.5588981 -0.3390252), wk = 0.0031949 k( 34) = ( 0.3437500 -0.5763637 -0.3496197), wk = 0.0031949 k( 35) = ( 0.3541667 -0.5938292 -0.3602142), wk = 0.0031949 k( 36) = ( 0.3645833 -0.6112948 -0.3708088), wk = 0.0031949 k( 37) = ( 0.3750000 -0.6287604 -0.3814033), wk = 0.0031949 k( 38) = ( 0.3854167 -0.6462259 -0.3919979), wk = 0.0031949 k( 39) = ( 0.3958333 -0.6636915 -0.4025924), wk = 0.0031949 k( 40) = ( 0.4062500 -0.6811570 -0.4131869), wk = 0.0031949 k( 41) = ( 0.4166667 -0.6986226 -0.4237815), wk = 0.0031949 k( 42) = ( 0.4270833 -0.7160882 -0.4343760), wk = 0.0031949 k( 43) = ( 0.4375000 -0.7335537 -0.4449705), wk = 0.0031949 k( 44) = ( 0.4479167 -0.7510193 -0.4555651), wk = 0.0031949 k( 45) = ( 0.4583333 -0.7684849 -0.4661596), wk = 0.0031949 k( 46) = ( 0.4687500 -0.7859504 -0.4767541), wk = 0.0031949 k( 47) = ( 0.4791667 -0.8034160 -0.4873487), wk = 0.0031949 k( 48) = ( 0.4895833 -0.8208816 -0.4979432), wk = 0.0031949 k( 49) = ( 0.5000000 -0.8383471 -0.5085377), wk = 0.0031949 k( 50) = ( 0.5000000 -0.8383471 -0.5085377), wk = 0.0031949 k( 51) = ( 0.5000000 -0.8263747 -0.5282749), wk = 0.0031949 k( 52) = ( 0.5000000 -0.8144022 -0.5480121), wk = 0.0031949 k( 53) = ( 0.5000000 -0.8024297 -0.5677493), wk = 0.0031949 k( 54) = ( 0.5000000 -0.7904572 -0.5874864), wk = 0.0031949 k( 55) = ( 0.5000000 -0.7784847 -0.6072236), wk = 0.0031949 k( 56) = ( 0.5000000 -0.7665123 -0.6269608), wk = 0.0031949 k( 57) = ( 0.5000000 -0.7545398 -0.6466979), wk = 0.0031949 k( 58) = ( 0.5000000 -0.7425673 -0.6664351), wk = 0.0031949 k( 59) = ( 0.5000000 -0.7305948 -0.6861723), wk = 0.0031949 k( 60) = ( 0.5000000 -0.7186223 -0.7059094), wk = 0.0031949 k( 61) = ( 0.5000000 -0.7066499 -0.7256466), wk = 0.0031949 k( 62) = ( 0.5000000 -0.6946774 -0.7453838), wk = 0.0031949 k( 63) = ( 0.5000000 -0.6827049 -0.7651209), wk = 0.0031949 k( 64) = ( 0.5000000 -0.6707324 -0.7848581), wk = 0.0031949 k( 65) = ( 0.5000000 -0.6587599 -0.8045953), wk = 0.0031949 k( 66) = ( 0.5000000 -0.6467874 -0.8243324), wk = 0.0031949 k( 67) = ( 0.5000000 -0.6348150 -0.8440696), wk = 0.0031949 k( 68) = ( 0.5000000 -0.6228425 -0.8638068), wk = 0.0031949 k( 69) = ( 0.5000000 -0.6108700 -0.8835439), wk = 0.0031949 k( 70) = ( 0.5000000 -0.5988975 -0.9032811), wk = 0.0031949 k( 71) = ( 0.5000000 -0.5869250 -0.9230183), wk = 0.0031949 k( 72) = ( 0.5000000 -0.5749526 -0.9427554), wk = 0.0031949 k( 73) = ( 0.5000000 -0.5629801 -0.9624926), wk = 0.0031949 k( 74) = ( 0.5000000 -0.5510076 -0.9822298), wk = 0.0031949 k( 75) = ( 0.5000000 -0.5390351 -1.0019669), wk = 0.0031949 k( 76) = ( 0.5000000 -0.5270626 -1.0217041), wk = 0.0031949 k( 77) = ( 0.5000000 -0.5150902 -1.0414413), wk = 0.0031949 k( 78) = ( 0.5000000 -0.5031177 -1.0611785), wk = 0.0031949 k( 79) = ( 0.5000000 -0.4911452 -1.0809156), wk = 0.0031949 k( 80) = ( 0.5000000 -0.4791727 -1.1006528), wk = 0.0031949 k( 81) = ( 0.8160208 -0.3920894 -0.9334982), wk = 0.0031949 k( 82) = ( 0.8099435 -0.3818996 -0.9139391), wk = 0.0031949 k( 83) = ( 0.8038662 -0.3717098 -0.8943799), wk = 0.0031949 k( 84) = ( 0.7977889 -0.3615200 -0.8748208), wk = 0.0031949 k( 85) = ( 0.7917116 -0.3513302 -0.8552616), wk = 0.0031949 k( 86) = ( 0.7856342 -0.3411404 -0.8357025), wk = 0.0031949 k( 87) = ( 0.7795569 -0.3309506 -0.8161433), wk = 0.0031949 k( 88) = ( 0.7734796 -0.3207607 -0.7965842), wk = 0.0031949 k( 89) = ( 0.7674022 -0.3105709 -0.7770250), wk = 0.0031949 k( 90) = ( 0.7613249 -0.3003811 -0.7574659), wk = 0.0031949 k( 91) = ( 0.7552476 -0.2901913 -0.7379068), wk = 0.0031949 k( 92) = ( 0.7491703 -0.2800015 -0.7183476), wk = 0.0031949 k( 93) = ( 0.7430930 -0.2698117 -0.6987885), wk = 0.0031949 k( 94) = ( 0.7370156 -0.2596219 -0.6792293), wk = 0.0031949 k( 95) = ( 0.7309383 -0.2494321 -0.6596702), wk = 0.0031949 k( 96) = ( 0.7248610 -0.2392422 -0.6401110), wk = 0.0031949 k( 97) = ( 0.7187837 -0.2290524 -0.6205519), wk = 0.0031949 k( 98) = ( 0.7127063 -0.2188626 -0.6009928), wk = 0.0031949 k( 99) = ( 0.7066290 -0.2086728 -0.5814336), wk = 0.0031949 k( 100) = ( 0.7005517 -0.1984830 -0.5618745), wk = 0.0031949 k( 101) = ( 0.6944744 -0.1882932 -0.5423153), wk = 0.0031949 k( 102) = ( 0.6883970 -0.1781033 -0.5227562), wk = 0.0031949 k( 103) = ( 0.6823197 -0.1679135 -0.5031970), wk = 0.0031949 k( 104) = ( 0.6762424 -0.1577237 -0.4836379), wk = 0.0031949 k( 105) = ( 0.6701651 -0.1475339 -0.4640787), wk = 0.0031949 k( 106) = ( 0.6640877 -0.1373441 -0.4445196), wk = 0.0031949 k( 107) = ( 0.6580104 -0.1271543 -0.4249605), wk = 0.0031949 k( 108) = ( 0.6519331 -0.1169645 -0.4054013), wk = 0.0031949 k( 109) = ( 0.6458558 -0.1067746 -0.3858422), wk = 0.0031949 k( 110) = ( 0.6397784 -0.0965848 -0.3662830), wk = 0.0031949 k( 111) = ( 0.6337011 -0.0863950 -0.3467239), wk = 0.0031949 k( 112) = ( 0.6276238 -0.0762052 -0.3271647), wk = 0.0031949 k( 113) = ( 0.6215465 -0.0660154 -0.3076056), wk = 0.0031949 k( 114) = ( 0.6154692 -0.0558256 -0.2880464), wk = 0.0031949 k( 115) = ( 0.6093918 -0.0456358 -0.2684873), wk = 0.0031949 k( 116) = ( 0.6033145 -0.0354460 -0.2489282), wk = 0.0031949 k( 117) = ( 0.5972372 -0.0252561 -0.2293690), wk = 0.0031949 k( 118) = ( 0.5911599 -0.0150663 -0.2098099), wk = 0.0031949 k( 119) = ( 0.5850825 -0.0048765 -0.1902507), wk = 0.0031949 k( 120) = ( 0.5790052 0.0053133 -0.1706916), wk = 0.0031949 k( 121) = ( 0.5729279 0.0155031 -0.1511324), wk = 0.0031949 k( 122) = ( 0.5668506 0.0256929 -0.1315733), wk = 0.0031949 k( 123) = ( 0.5607732 0.0358827 -0.1120142), wk = 0.0031949 k( 124) = ( 0.5546959 0.0460726 -0.0924550), wk = 0.0031949 k( 125) = ( 0.5486186 0.0562624 -0.0728959), wk = 0.0031949 k( 126) = ( 0.5425413 0.0664522 -0.0533367), wk = 0.0031949 k( 127) = ( 0.5364639 0.0766420 -0.0337776), wk = 0.0031949 k( 128) = ( 0.5303866 0.0868318 -0.0142184), wk = 0.0031949 k( 129) = ( 0.5243093 0.0970216 0.0053407), wk = 0.0031949 k( 130) = ( 0.5182320 0.1072114 0.0248999), wk = 0.0031949 k( 131) = ( 0.5121547 0.1174013 0.0444590), wk = 0.0031949 k( 132) = ( 0.5060773 0.1275911 0.0640182), wk = 0.0031949 k( 133) = ( 0.5000000 0.1377809 0.0835773), wk = 0.0031949 k( 134) = ( 0.5000000 0.1377809 0.0835773), wk = 0.0031949 k( 135) = ( 0.4782609 0.1317904 0.0799435), wk = 0.0031949 k( 136) = ( 0.4565217 0.1257999 0.0763097), wk = 0.0031949 k( 137) = ( 0.4347826 0.1198095 0.0726759), wk = 0.0031949 k( 138) = ( 0.4130435 0.1138190 0.0690421), wk = 0.0031949 k( 139) = ( 0.3913044 0.1078285 0.0654083), wk = 0.0031949 k( 140) = ( 0.3695652 0.1018380 0.0617745), wk = 0.0031949 k( 141) = ( 0.3478261 0.0958476 0.0581407), wk = 0.0031949 k( 142) = ( 0.3260870 0.0898571 0.0545069), wk = 0.0031949 k( 143) = ( 0.3043478 0.0838666 0.0508731), wk = 0.0031949 k( 144) = ( 0.2826087 0.0778762 0.0472393), wk = 0.0031949 k( 145) = ( 0.2608696 0.0718857 0.0436055), wk = 0.0031949 k( 146) = ( 0.2391304 0.0658952 0.0399717), wk = 0.0031949 k( 147) = ( 0.2173913 0.0599047 0.0363380), wk = 0.0031949 k( 148) = ( 0.1956522 0.0539143 0.0327042), wk = 0.0031949 k( 149) = ( 0.1739130 0.0479238 0.0290704), wk = 0.0031949 k( 150) = ( 0.1521739 0.0419333 0.0254366), wk = 0.0031949 k( 151) = ( 0.1304348 0.0359428 0.0218028), wk = 0.0031949 k( 152) = ( 0.1086957 0.0299524 0.0181690), wk = 0.0031949 k( 153) = ( 0.0869565 0.0239619 0.0145352), wk = 0.0031949 k( 154) = ( 0.0652174 0.0179714 0.0109014), wk = 0.0031949 k( 155) = ( 0.0434783 0.0119809 0.0072676), wk = 0.0031949 k( 156) = ( 0.0217391 0.0059905 0.0036338), wk = 0.0031949 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 159) = ( 0.0061070 -0.0102395 -0.0196545), wk = 0.0031949 k( 160) = ( 0.0122139 -0.0204790 -0.0393090), wk = 0.0031949 k( 161) = ( 0.0183209 -0.0307185 -0.0589635), wk = 0.0031949 k( 162) = ( 0.0244278 -0.0409580 -0.0786181), wk = 0.0031949 k( 163) = ( 0.0305348 -0.0511975 -0.0982726), wk = 0.0031949 k( 164) = ( 0.0366417 -0.0614370 -0.1179271), wk = 0.0031949 k( 165) = ( 0.0427487 -0.0716765 -0.1375816), wk = 0.0031949 k( 166) = ( 0.0488557 -0.0819160 -0.1572361), wk = 0.0031949 k( 167) = ( 0.0549626 -0.0921555 -0.1768906), wk = 0.0031949 k( 168) = ( 0.0610696 -0.1023950 -0.1965451), wk = 0.0031949 k( 169) = ( 0.0671765 -0.1126345 -0.2161996), wk = 0.0031949 k( 170) = ( 0.0732835 -0.1228740 -0.2358542), wk = 0.0031949 k( 171) = ( 0.0793904 -0.1331135 -0.2555087), wk = 0.0031949 k( 172) = ( 0.0854974 -0.1433530 -0.2751632), wk = 0.0031949 k( 173) = ( 0.0916044 -0.1535925 -0.2948177), wk = 0.0031949 k( 174) = ( 0.0977113 -0.1638320 -0.3144722), wk = 0.0031949 k( 175) = ( 0.1038183 -0.1740715 -0.3341268), wk = 0.0031949 k( 176) = ( 0.1099252 -0.1843110 -0.3537812), wk = 0.0031949 k( 177) = ( 0.1160322 -0.1945505 -0.3734358), wk = 0.0031949 k( 178) = ( 0.1221391 -0.2047900 -0.3930903), wk = 0.0031949 k( 179) = ( 0.1282461 -0.2150295 -0.4127448), wk = 0.0031949 k( 180) = ( 0.1343531 -0.2252690 -0.4323993), wk = 0.0031949 k( 181) = ( 0.1404600 -0.2355085 -0.4520538), wk = 0.0031949 k( 182) = ( 0.1465670 -0.2457480 -0.4717083), wk = 0.0031949 k( 183) = ( 0.1526739 -0.2559875 -0.4913629), wk = 0.0031949 k( 184) = ( 0.1587809 -0.2662270 -0.5110174), wk = 0.0031949 k( 185) = ( 0.1648878 -0.2764665 -0.5306719), wk = 0.0031949 k( 186) = ( 0.1709948 -0.2867060 -0.5503264), wk = 0.0031949 k( 187) = ( 0.1771018 -0.2969455 -0.5699809), wk = 0.0031949 k( 188) = ( 0.1832087 -0.3071850 -0.5896354), wk = 0.0031949 k( 189) = ( 0.1893157 -0.3174245 -0.6092899), wk = 0.0031949 k( 190) = ( 0.1954226 -0.3276640 -0.6289445), wk = 0.0031949 k( 191) = ( 0.2015296 -0.3379035 -0.6485990), wk = 0.0031949 k( 192) = ( 0.2076365 -0.3481430 -0.6682535), wk = 0.0031949 k( 193) = ( 0.2137435 -0.3583825 -0.6879080), wk = 0.0031949 k( 194) = ( 0.2198504 -0.3686220 -0.7075625), wk = 0.0031949 k( 195) = ( 0.2259574 -0.3788615 -0.7272170), wk = 0.0031949 k( 196) = ( 0.2320644 -0.3891010 -0.7468715), wk = 0.0031949 k( 197) = ( 0.2381713 -0.3993405 -0.7665260), wk = 0.0031949 k( 198) = ( 0.2442783 -0.4095800 -0.7861806), wk = 0.0031949 k( 199) = ( 0.2503852 -0.4198195 -0.8058351), wk = 0.0031949 k( 200) = ( 0.2564922 -0.4300590 -0.8254896), wk = 0.0031949 k( 201) = ( 0.2625991 -0.4402985 -0.8451441), wk = 0.0031949 k( 202) = ( 0.2687061 -0.4505380 -0.8647986), wk = 0.0031949 k( 203) = ( 0.2748131 -0.4607775 -0.8844531), wk = 0.0031949 k( 204) = ( 0.2809200 -0.4710170 -0.9041076), wk = 0.0031949 k( 205) = ( 0.2870270 -0.4812565 -0.9237622), wk = 0.0031949 k( 206) = ( 0.2931339 -0.4914960 -0.9434167), wk = 0.0031949 k( 207) = ( 0.2992409 -0.5017355 -0.9630712), wk = 0.0031949 k( 208) = ( 0.3053478 -0.5119750 -0.9827257), wk = 0.0031949 k( 209) = ( 0.3114548 -0.5222145 -1.0023802), wk = 0.0031949 k( 210) = ( 0.3175617 -0.5324540 -1.0220347), wk = 0.0031949 k( 211) = ( 0.3236687 -0.5426935 -1.0416893), wk = 0.0031949 k( 212) = ( 0.3297757 -0.5529330 -1.0613438), wk = 0.0031949 k( 213) = ( 0.3358826 -0.5631725 -1.0809983), wk = 0.0031949 k( 214) = ( 0.3419896 -0.5734120 -1.1006528), wk = 0.0031949 k( 215) = ( 0.6580104 -0.4356311 -1.0170755), wk = 0.0031949 k( 216) = ( 0.6519331 -0.4135768 -1.0170755), wk = 0.0031949 k( 217) = ( 0.6458558 -0.3915225 -1.0170755), wk = 0.0031949 k( 218) = ( 0.6397784 -0.3694682 -1.0170755), wk = 0.0031949 k( 219) = ( 0.6337011 -0.3474139 -1.0170755), wk = 0.0031949 k( 220) = ( 0.6276238 -0.3253595 -1.0170755), wk = 0.0031949 k( 221) = ( 0.6215465 -0.3033052 -1.0170755), wk = 0.0031949 k( 222) = ( 0.6154692 -0.2812509 -1.0170755), wk = 0.0031949 k( 223) = ( 0.6093918 -0.2591966 -1.0170755), wk = 0.0031949 k( 224) = ( 0.6033145 -0.2371423 -1.0170755), wk = 0.0031949 k( 225) = ( 0.5972372 -0.2150880 -1.0170755), wk = 0.0031949 k( 226) = ( 0.5911599 -0.1930337 -1.0170755), wk = 0.0031949 k( 227) = ( 0.5850825 -0.1709794 -1.0170755), wk = 0.0031949 k( 228) = ( 0.5790052 -0.1489251 -1.0170755), wk = 0.0031949 k( 229) = ( 0.5729279 -0.1268708 -1.0170755), wk = 0.0031949 k( 230) = ( 0.5668506 -0.1048165 -1.0170755), wk = 0.0031949 k( 231) = ( 0.5607732 -0.0827622 -1.0170755), wk = 0.0031949 k( 232) = ( 0.5546959 -0.0607079 -1.0170755), wk = 0.0031949 k( 233) = ( 0.5486186 -0.0386536 -1.0170755), wk = 0.0031949 k( 234) = ( 0.5425413 -0.0165993 -1.0170755), wk = 0.0031949 k( 235) = ( 0.5364639 0.0054551 -1.0170755), wk = 0.0031949 k( 236) = ( 0.5303866 0.0275094 -1.0170755), wk = 0.0031949 k( 237) = ( 0.5243093 0.0495636 -1.0170755), wk = 0.0031949 k( 238) = ( 0.5182320 0.0716180 -1.0170755), wk = 0.0031949 k( 239) = ( 0.5121547 0.0936723 -1.0170755), wk = 0.0031949 k( 240) = ( 0.5060773 0.1157266 -1.0170755), wk = 0.0031949 k( 241) = ( 0.5000000 0.1377809 -1.0170755), wk = 0.0031949 k( 242) = ( 0.5000000 0.1377809 -1.0170755), wk = 0.0031949 k( 243) = ( 0.5197513 0.1432236 -1.0066283), wk = 0.0031949 k( 244) = ( 0.5395026 0.1486663 -0.9961812), wk = 0.0031949 k( 245) = ( 0.5592539 0.1541090 -0.9857340), wk = 0.0031949 k( 246) = ( 0.5790052 0.1595517 -0.9752868), wk = 0.0031949 k( 247) = ( 0.5987565 0.1649944 -0.9648397), wk = 0.0031949 k( 248) = ( 0.6185078 0.1704371 -0.9543925), wk = 0.0031949 k( 249) = ( 0.6382591 0.1758798 -0.9439454), wk = 0.0031949 k( 250) = ( 0.6580104 0.1813225 -0.9334982), wk = 0.0031949 k( 251) = ( 0.6580104 0.1813225 -0.9334982), wk = 0.0031949 k( 252) = ( 0.6544991 0.1803549 -0.9108965), wk = 0.0031949 k( 253) = ( 0.6509877 0.1793873 -0.8882949), wk = 0.0031949 k( 254) = ( 0.6474764 0.1784197 -0.8656932), wk = 0.0031949 k( 255) = ( 0.6439651 0.1774522 -0.8430915), wk = 0.0031949 k( 256) = ( 0.6404537 0.1764846 -0.8204898), wk = 0.0031949 k( 257) = ( 0.6369424 0.1755170 -0.7978881), wk = 0.0031949 k( 258) = ( 0.6334310 0.1745494 -0.7752864), wk = 0.0031949 k( 259) = ( 0.6299197 0.1735818 -0.7526848), wk = 0.0031949 k( 260) = ( 0.6264083 0.1726142 -0.7300831), wk = 0.0031949 k( 261) = ( 0.6228970 0.1716466 -0.7074814), wk = 0.0031949 k( 262) = ( 0.6193857 0.1706790 -0.6848797), wk = 0.0031949 k( 263) = ( 0.6158743 0.1697114 -0.6622781), wk = 0.0031949 k( 264) = ( 0.6123630 0.1687438 -0.6396764), wk = 0.0031949 k( 265) = ( 0.6088516 0.1677762 -0.6170747), wk = 0.0031949 k( 266) = ( 0.6053403 0.1668086 -0.5944730), wk = 0.0031949 k( 267) = ( 0.6018289 0.1658411 -0.5718714), wk = 0.0031949 k( 268) = ( 0.5983176 0.1648735 -0.5492697), wk = 0.0031949 k( 269) = ( 0.5948062 0.1639059 -0.5266680), wk = 0.0031949 k( 270) = ( 0.5912949 0.1629383 -0.5040663), wk = 0.0031949 k( 271) = ( 0.5877836 0.1619707 -0.4814646), wk = 0.0031949 k( 272) = ( 0.5842722 0.1610031 -0.4588630), wk = 0.0031949 k( 273) = ( 0.5807609 0.1600355 -0.4362613), wk = 0.0031949 k( 274) = ( 0.5772495 0.1590679 -0.4136596), wk = 0.0031949 k( 275) = ( 0.5737382 0.1581003 -0.3910579), wk = 0.0031949 k( 276) = ( 0.5702268 0.1571327 -0.3684563), wk = 0.0031949 k( 277) = ( 0.5667155 0.1561651 -0.3458546), wk = 0.0031949 k( 278) = ( 0.5632042 0.1551975 -0.3232529), wk = 0.0031949 k( 279) = ( 0.5596928 0.1542300 -0.3006512), wk = 0.0031949 k( 280) = ( 0.5561815 0.1532624 -0.2780496), wk = 0.0031949 k( 281) = ( 0.5526701 0.1522948 -0.2554479), wk = 0.0031949 k( 282) = ( 0.5491588 0.1513272 -0.2328462), wk = 0.0031949 k( 283) = ( 0.5456475 0.1503596 -0.2102445), wk = 0.0031949 k( 284) = ( 0.5421361 0.1493920 -0.1876428), wk = 0.0031949 k( 285) = ( 0.5386248 0.1484244 -0.1650412), wk = 0.0031949 k( 286) = ( 0.5351134 0.1474568 -0.1424395), wk = 0.0031949 k( 287) = ( 0.5316021 0.1464892 -0.1198378), wk = 0.0031949 k( 288) = ( 0.5280907 0.1455216 -0.0972361), wk = 0.0031949 k( 289) = ( 0.5245794 0.1445540 -0.0746345), wk = 0.0031949 k( 290) = ( 0.5210681 0.1435864 -0.0520328), wk = 0.0031949 k( 291) = ( 0.5175567 0.1426188 -0.0294311), wk = 0.0031949 k( 292) = ( 0.5140454 0.1416513 -0.0068294), wk = 0.0031949 k( 293) = ( 0.5105340 0.1406837 0.0157722), wk = 0.0031949 k( 294) = ( 0.5070227 0.1397161 0.0383739), wk = 0.0031949 k( 295) = ( 0.5035113 0.1387485 0.0609756), wk = 0.0031949 k( 296) = ( 0.5000000 0.1377809 0.0835773), wk = 0.0031949 k( 297) = ( 0.5000000 -0.8383471 -0.5085377), wk = 0.0031949 k( 298) = ( 0.5197513 -0.8297358 -0.5033142), wk = 0.0031949 k( 299) = ( 0.5395026 -0.8211245 -0.4980906), wk = 0.0031949 k( 300) = ( 0.5592539 -0.8125132 -0.4928670), wk = 0.0031949 k( 301) = ( 0.5790052 -0.8039019 -0.4876434), wk = 0.0031949 k( 302) = ( 0.5987565 -0.7952906 -0.4824198), wk = 0.0031949 k( 303) = ( 0.6185078 -0.7866793 -0.4771963), wk = 0.0031949 k( 304) = ( 0.6382591 -0.7780680 -0.4719727), wk = 0.0031949 k( 305) = ( 0.6580104 -0.7694567 -0.4667491), wk = 0.0031949 k( 306) = ( 0.6777617 -0.7608454 -0.4615255), wk = 0.0031949 k( 307) = ( 0.6975130 -0.7522341 -0.4563019), wk = 0.0031949 k( 308) = ( 0.7172643 -0.7436228 -0.4510784), wk = 0.0031949 k( 309) = ( 0.7370156 -0.7350115 -0.4458548), wk = 0.0031949 k( 310) = ( 0.7567669 -0.7264002 -0.4406312), wk = 0.0031949 k( 311) = ( 0.7765182 -0.7177889 -0.4354076), wk = 0.0031949 k( 312) = ( 0.7962695 -0.7091776 -0.4301840), wk = 0.0031949 k( 313) = ( 0.8160208 -0.7005662 -0.4249605), wk = 0.0031949 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0104167 0.0000000 0.0000000), wk = 0.0031949 k( 3) = ( 0.0208333 0.0000000 0.0000000), wk = 0.0031949 k( 4) = ( 0.0312500 0.0000000 0.0000000), wk = 0.0031949 k( 5) = ( 0.0416667 -0.0000000 0.0000000), wk = 0.0031949 k( 6) = ( 0.0520833 0.0000000 0.0000000), wk = 0.0031949 k( 7) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0031949 k( 8) = ( 0.0729167 0.0000000 0.0000000), wk = 0.0031949 k( 9) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0031949 k( 10) = ( 0.0937500 0.0000000 0.0000000), wk = 0.0031949 k( 11) = ( 0.1041667 -0.0000000 0.0000000), wk = 0.0031949 k( 12) = ( 0.1145833 0.0000000 0.0000000), wk = 0.0031949 k( 13) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0031949 k( 14) = ( 0.1354167 0.0000000 0.0000000), wk = 0.0031949 k( 15) = ( 0.1458333 0.0000000 0.0000000), wk = 0.0031949 k( 16) = ( 0.1562500 -0.0000000 0.0000000), wk = 0.0031949 k( 17) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0031949 k( 18) = ( 0.1770833 0.0000000 0.0000000), wk = 0.0031949 k( 19) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0031949 k( 20) = ( 0.1979167 -0.0000000 0.0000000), wk = 0.0031949 k( 21) = ( 0.2083333 0.0000000 0.0000000), wk = 0.0031949 k( 22) = ( 0.2187500 0.0000000 0.0000000), wk = 0.0031949 k( 23) = ( 0.2291667 0.0000000 0.0000000), wk = 0.0031949 k( 24) = ( 0.2395833 0.0000000 0.0000000), wk = 0.0031949 k( 25) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0031949 k( 26) = ( 0.2604167 0.0000000 0.0000000), wk = 0.0031949 k( 27) = ( 0.2708333 0.0000000 0.0000000), wk = 0.0031949 k( 28) = ( 0.2812500 -0.0000000 0.0000000), wk = 0.0031949 k( 29) = ( 0.2916667 -0.0000000 0.0000000), wk = 0.0031949 k( 30) = ( 0.3020833 0.0000000 0.0000000), wk = 0.0031949 k( 31) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0031949 k( 32) = ( 0.3229167 0.0000000 0.0000000), wk = 0.0031949 k( 33) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0031949 k( 34) = ( 0.3437500 0.0000000 0.0000000), wk = 0.0031949 k( 35) = ( 0.3541667 0.0000000 0.0000000), wk = 0.0031949 k( 36) = ( 0.3645833 -0.0000000 0.0000000), wk = 0.0031949 k( 37) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0031949 k( 38) = ( 0.3854167 0.0000000 0.0000000), wk = 0.0031949 k( 39) = ( 0.3958333 0.0000000 0.0000000), wk = 0.0031949 k( 40) = ( 0.4062500 -0.0000000 0.0000000), wk = 0.0031949 k( 41) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0031949 k( 42) = ( 0.4270833 0.0000000 0.0000000), wk = 0.0031949 k( 43) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0031949 k( 44) = ( 0.4479167 -0.0000000 0.0000000), wk = 0.0031949 k( 45) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0031949 k( 46) = ( 0.4687500 0.0000000 0.0000000), wk = 0.0031949 k( 47) = ( 0.4791667 0.0000000 0.0000000), wk = 0.0031949 k( 48) = ( 0.4895833 0.0000000 0.0000000), wk = 0.0031949 k( 49) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031949 k( 50) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031949 k( 51) = ( 0.5000000 0.0061326 -0.0061326), wk = 0.0031949 k( 52) = ( 0.5000000 0.0122653 -0.0122653), wk = 0.0031949 k( 53) = ( 0.5000000 0.0183979 -0.0183979), wk = 0.0031949 k( 54) = ( 0.5000000 0.0245306 -0.0245305), wk = 0.0031949 k( 55) = ( 0.5000000 0.0306632 -0.0306632), wk = 0.0031949 k( 56) = ( 0.5000000 0.0367958 -0.0367958), wk = 0.0031949 k( 57) = ( 0.5000000 0.0429285 -0.0429285), wk = 0.0031949 k( 58) = ( 0.5000000 0.0490611 -0.0490611), wk = 0.0031949 k( 59) = ( 0.5000000 0.0551937 -0.0551937), wk = 0.0031949 k( 60) = ( 0.5000000 0.0613264 -0.0613264), wk = 0.0031949 k( 61) = ( 0.5000000 0.0674590 -0.0674590), wk = 0.0031949 k( 62) = ( 0.5000000 0.0735917 -0.0735917), wk = 0.0031949 k( 63) = ( 0.5000000 0.0797243 -0.0797243), wk = 0.0031949 k( 64) = ( 0.5000000 0.0858569 -0.0858569), wk = 0.0031949 k( 65) = ( 0.5000000 0.0919896 -0.0919896), wk = 0.0031949 k( 66) = ( 0.5000000 0.0981222 -0.0981222), wk = 0.0031949 k( 67) = ( 0.5000000 0.1042549 -0.1042549), wk = 0.0031949 k( 68) = ( 0.5000000 0.1103875 -0.1103875), wk = 0.0031949 k( 69) = ( 0.5000000 0.1165201 -0.1165201), wk = 0.0031949 k( 70) = ( 0.5000000 0.1226528 -0.1226528), wk = 0.0031949 k( 71) = ( 0.5000000 0.1287854 -0.1287854), wk = 0.0031949 k( 72) = ( 0.5000000 0.1349181 -0.1349180), wk = 0.0031949 k( 73) = ( 0.5000000 0.1410507 -0.1410507), wk = 0.0031949 k( 74) = ( 0.5000000 0.1471833 -0.1471833), wk = 0.0031949 k( 75) = ( 0.5000000 0.1533160 -0.1533160), wk = 0.0031949 k( 76) = ( 0.5000000 0.1594486 -0.1594486), wk = 0.0031949 k( 77) = ( 0.5000000 0.1655812 -0.1655812), wk = 0.0031949 k( 78) = ( 0.5000000 0.1717139 -0.1717139), wk = 0.0031949 k( 79) = ( 0.5000000 0.1778465 -0.1778465), wk = 0.0031949 k( 80) = ( 0.5000000 0.1839792 -0.1839792), wk = 0.0031949 k( 81) = ( 0.8160208 0.5000000 0.1839792), wk = 0.0031949 k( 82) = ( 0.8099435 0.5000000 0.1900565), wk = 0.0031949 k( 83) = ( 0.8038662 0.5000000 0.1961338), wk = 0.0031949 k( 84) = ( 0.7977889 0.5000000 0.2022111), wk = 0.0031949 k( 85) = ( 0.7917116 0.5000000 0.2082885), wk = 0.0031949 k( 86) = ( 0.7856342 0.5000000 0.2143658), wk = 0.0031949 k( 87) = ( 0.7795569 0.5000000 0.2204431), wk = 0.0031949 k( 88) = ( 0.7734796 0.5000000 0.2265204), wk = 0.0031949 k( 89) = ( 0.7674022 0.5000000 0.2325978), wk = 0.0031949 k( 90) = ( 0.7613249 0.5000000 0.2386751), wk = 0.0031949 k( 91) = ( 0.7552476 0.5000000 0.2447524), wk = 0.0031949 k( 92) = ( 0.7491703 0.5000000 0.2508297), wk = 0.0031949 k( 93) = ( 0.7430930 0.5000000 0.2569070), wk = 0.0031949 k( 94) = ( 0.7370156 0.5000000 0.2629844), wk = 0.0031949 k( 95) = ( 0.7309383 0.5000000 0.2690617), wk = 0.0031949 k( 96) = ( 0.7248610 0.5000000 0.2751390), wk = 0.0031949 k( 97) = ( 0.7187837 0.5000000 0.2812163), wk = 0.0031949 k( 98) = ( 0.7127063 0.5000000 0.2872937), wk = 0.0031949 k( 99) = ( 0.7066290 0.5000000 0.2933710), wk = 0.0031949 k( 100) = ( 0.7005517 0.5000000 0.2994483), wk = 0.0031949 k( 101) = ( 0.6944744 0.5000000 0.3055256), wk = 0.0031949 k( 102) = ( 0.6883970 0.5000000 0.3116030), wk = 0.0031949 k( 103) = ( 0.6823197 0.5000000 0.3176803), wk = 0.0031949 k( 104) = ( 0.6762424 0.5000000 0.3237576), wk = 0.0031949 k( 105) = ( 0.6701651 0.5000000 0.3298349), wk = 0.0031949 k( 106) = ( 0.6640877 0.5000000 0.3359123), wk = 0.0031949 k( 107) = ( 0.6580104 0.5000000 0.3419896), wk = 0.0031949 k( 108) = ( 0.6519331 0.5000000 0.3480669), wk = 0.0031949 k( 109) = ( 0.6458558 0.5000000 0.3541442), wk = 0.0031949 k( 110) = ( 0.6397784 0.5000000 0.3602216), wk = 0.0031949 k( 111) = ( 0.6337011 0.5000000 0.3662989), wk = 0.0031949 k( 112) = ( 0.6276238 0.5000000 0.3723762), wk = 0.0031949 k( 113) = ( 0.6215465 0.5000000 0.3784535), wk = 0.0031949 k( 114) = ( 0.6154692 0.5000000 0.3845308), wk = 0.0031949 k( 115) = ( 0.6093918 0.5000000 0.3906082), wk = 0.0031949 k( 116) = ( 0.6033145 0.5000000 0.3966855), wk = 0.0031949 k( 117) = ( 0.5972372 0.5000000 0.4027628), wk = 0.0031949 k( 118) = ( 0.5911599 0.5000000 0.4088401), wk = 0.0031949 k( 119) = ( 0.5850825 0.5000000 0.4149175), wk = 0.0031949 k( 120) = ( 0.5790052 0.5000000 0.4209948), wk = 0.0031949 k( 121) = ( 0.5729279 0.5000000 0.4270721), wk = 0.0031949 k( 122) = ( 0.5668506 0.5000000 0.4331494), wk = 0.0031949 k( 123) = ( 0.5607732 0.5000000 0.4392268), wk = 0.0031949 k( 124) = ( 0.5546959 0.5000000 0.4453041), wk = 0.0031949 k( 125) = ( 0.5486186 0.5000000 0.4513814), wk = 0.0031949 k( 126) = ( 0.5425413 0.5000000 0.4574587), wk = 0.0031949 k( 127) = ( 0.5364639 0.5000000 0.4635361), wk = 0.0031949 k( 128) = ( 0.5303866 0.5000000 0.4696134), wk = 0.0031949 k( 129) = ( 0.5243093 0.5000000 0.4756907), wk = 0.0031949 k( 130) = ( 0.5182320 0.5000000 0.4817680), wk = 0.0031949 k( 131) = ( 0.5121547 0.5000000 0.4878454), wk = 0.0031949 k( 132) = ( 0.5060773 0.5000000 0.4939227), wk = 0.0031949 k( 133) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 134) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 135) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0031949 k( 136) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0031949 k( 137) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0031949 k( 138) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0031949 k( 139) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0031949 k( 140) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0031949 k( 141) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0031949 k( 142) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0031949 k( 143) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0031949 k( 144) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0031949 k( 145) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0031949 k( 146) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0031949 k( 147) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0031949 k( 148) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0031949 k( 149) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0031949 k( 150) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0031949 k( 151) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0031949 k( 152) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0031949 k( 153) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0031949 k( 154) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0031949 k( 155) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0031949 k( 156) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0031949 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 159) = ( 0.0061070 -0.0000000 -0.0061070), wk = 0.0031949 k( 160) = ( 0.0122139 0.0000000 -0.0122139), wk = 0.0031949 k( 161) = ( 0.0183209 -0.0000000 -0.0183209), wk = 0.0031949 k( 162) = ( 0.0244278 0.0000000 -0.0244278), wk = 0.0031949 k( 163) = ( 0.0305348 0.0000000 -0.0305348), wk = 0.0031949 k( 164) = ( 0.0366417 -0.0000000 -0.0366417), wk = 0.0031949 k( 165) = ( 0.0427487 0.0000000 -0.0427487), wk = 0.0031949 k( 166) = ( 0.0488557 -0.0000000 -0.0488556), wk = 0.0031949 k( 167) = ( 0.0549626 0.0000000 -0.0549626), wk = 0.0031949 k( 168) = ( 0.0610696 0.0000000 -0.0610696), wk = 0.0031949 k( 169) = ( 0.0671765 -0.0000000 -0.0671765), wk = 0.0031949 k( 170) = ( 0.0732835 -0.0000000 -0.0732835), wk = 0.0031949 k( 171) = ( 0.0793904 0.0000000 -0.0793904), wk = 0.0031949 k( 172) = ( 0.0854974 0.0000000 -0.0854974), wk = 0.0031949 k( 173) = ( 0.0916044 0.0000000 -0.0916043), wk = 0.0031949 k( 174) = ( 0.0977113 0.0000000 -0.0977113), wk = 0.0031949 k( 175) = ( 0.1038183 0.0000000 -0.1038183), wk = 0.0031949 k( 176) = ( 0.1099252 0.0000000 -0.1099252), wk = 0.0031949 k( 177) = ( 0.1160322 0.0000000 -0.1160322), wk = 0.0031949 k( 178) = ( 0.1221391 0.0000000 -0.1221391), wk = 0.0031949 k( 179) = ( 0.1282461 0.0000000 -0.1282461), wk = 0.0031949 k( 180) = ( 0.1343531 0.0000000 -0.1343530), wk = 0.0031949 k( 181) = ( 0.1404600 0.0000000 -0.1404600), wk = 0.0031949 k( 182) = ( 0.1465670 -0.0000000 -0.1465670), wk = 0.0031949 k( 183) = ( 0.1526739 0.0000000 -0.1526739), wk = 0.0031949 k( 184) = ( 0.1587809 0.0000000 -0.1587809), wk = 0.0031949 k( 185) = ( 0.1648878 -0.0000000 -0.1648878), wk = 0.0031949 k( 186) = ( 0.1709948 0.0000000 -0.1709948), wk = 0.0031949 k( 187) = ( 0.1771018 -0.0000000 -0.1771017), wk = 0.0031949 k( 188) = ( 0.1832087 0.0000000 -0.1832087), wk = 0.0031949 k( 189) = ( 0.1893157 -0.0000000 -0.1893157), wk = 0.0031949 k( 190) = ( 0.1954226 0.0000000 -0.1954226), wk = 0.0031949 k( 191) = ( 0.2015296 0.0000000 -0.2015296), wk = 0.0031949 k( 192) = ( 0.2076365 0.0000000 -0.2076365), wk = 0.0031949 k( 193) = ( 0.2137435 0.0000000 -0.2137435), wk = 0.0031949 k( 194) = ( 0.2198504 0.0000000 -0.2198504), wk = 0.0031949 k( 195) = ( 0.2259574 0.0000000 -0.2259574), wk = 0.0031949 k( 196) = ( 0.2320644 0.0000000 -0.2320644), wk = 0.0031949 k( 197) = ( 0.2381713 0.0000000 -0.2381713), wk = 0.0031949 k( 198) = ( 0.2442783 0.0000000 -0.2442783), wk = 0.0031949 k( 199) = ( 0.2503852 -0.0000000 -0.2503852), wk = 0.0031949 k( 200) = ( 0.2564922 0.0000000 -0.2564922), wk = 0.0031949 k( 201) = ( 0.2625991 -0.0000000 -0.2625991), wk = 0.0031949 k( 202) = ( 0.2687061 0.0000000 -0.2687061), wk = 0.0031949 k( 203) = ( 0.2748131 0.0000000 -0.2748130), wk = 0.0031949 k( 204) = ( 0.2809200 0.0000000 -0.2809200), wk = 0.0031949 k( 205) = ( 0.2870270 0.0000000 -0.2870270), wk = 0.0031949 k( 206) = ( 0.2931339 -0.0000000 -0.2931339), wk = 0.0031949 k( 207) = ( 0.2992409 -0.0000000 -0.2992409), wk = 0.0031949 k( 208) = ( 0.3053478 0.0000000 -0.3053478), wk = 0.0031949 k( 209) = ( 0.3114548 0.0000000 -0.3114548), wk = 0.0031949 k( 210) = ( 0.3175617 0.0000000 -0.3175617), wk = 0.0031949 k( 211) = ( 0.3236687 0.0000000 -0.3236687), wk = 0.0031949 k( 212) = ( 0.3297757 0.0000000 -0.3297757), wk = 0.0031949 k( 213) = ( 0.3358826 0.0000000 -0.3358826), wk = 0.0031949 k( 214) = ( 0.3419896 0.0000000 -0.3419896), wk = 0.0031949 k( 215) = ( 0.6580104 0.3419896 0.0000000), wk = 0.0031949 k( 216) = ( 0.6519331 0.3480669 0.0000000), wk = 0.0031949 k( 217) = ( 0.6458558 0.3541442 0.0000000), wk = 0.0031949 k( 218) = ( 0.6397784 0.3602216 0.0000000), wk = 0.0031949 k( 219) = ( 0.6337011 0.3662989 0.0000000), wk = 0.0031949 k( 220) = ( 0.6276238 0.3723762 0.0000000), wk = 0.0031949 k( 221) = ( 0.6215465 0.3784535 0.0000000), wk = 0.0031949 k( 222) = ( 0.6154692 0.3845308 0.0000000), wk = 0.0031949 k( 223) = ( 0.6093918 0.3906082 0.0000000), wk = 0.0031949 k( 224) = ( 0.6033145 0.3966855 0.0000000), wk = 0.0031949 k( 225) = ( 0.5972372 0.4027628 0.0000000), wk = 0.0031949 k( 226) = ( 0.5911599 0.4088401 0.0000000), wk = 0.0031949 k( 227) = ( 0.5850825 0.4149175 0.0000000), wk = 0.0031949 k( 228) = ( 0.5790052 0.4209948 0.0000000), wk = 0.0031949 k( 229) = ( 0.5729279 0.4270721 0.0000000), wk = 0.0031949 k( 230) = ( 0.5668506 0.4331494 0.0000000), wk = 0.0031949 k( 231) = ( 0.5607732 0.4392268 0.0000000), wk = 0.0031949 k( 232) = ( 0.5546959 0.4453041 0.0000000), wk = 0.0031949 k( 233) = ( 0.5486186 0.4513814 0.0000000), wk = 0.0031949 k( 234) = ( 0.5425413 0.4574587 0.0000000), wk = 0.0031949 k( 235) = ( 0.5364639 0.4635361 0.0000000), wk = 0.0031949 k( 236) = ( 0.5303866 0.4696134 0.0000000), wk = 0.0031949 k( 237) = ( 0.5243093 0.4756907 0.0000000), wk = 0.0031949 k( 238) = ( 0.5182320 0.4817680 0.0000000), wk = 0.0031949 k( 239) = ( 0.5121547 0.4878454 0.0000000), wk = 0.0031949 k( 240) = ( 0.5060773 0.4939227 0.0000000), wk = 0.0031949 k( 241) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 242) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 243) = ( 0.5197513 0.5197513 0.0229974), wk = 0.0031949 k( 244) = ( 0.5395026 0.5395026 0.0459948), wk = 0.0031949 k( 245) = ( 0.5592539 0.5592539 0.0689922), wk = 0.0031949 k( 246) = ( 0.5790052 0.5790052 0.0919896), wk = 0.0031949 k( 247) = ( 0.5987565 0.5987565 0.1149870), wk = 0.0031949 k( 248) = ( 0.6185078 0.6185078 0.1379844), wk = 0.0031949 k( 249) = ( 0.6382591 0.6382591 0.1609818), wk = 0.0031949 k( 250) = ( 0.6580104 0.6580104 0.1839792), wk = 0.0031949 k( 251) = ( 0.6580104 0.6580104 0.1839792), wk = 0.0031949 k( 252) = ( 0.6544991 0.6544991 0.1910018), wk = 0.0031949 k( 253) = ( 0.6509877 0.6509877 0.1980245), wk = 0.0031949 k( 254) = ( 0.6474764 0.6474764 0.2050472), wk = 0.0031949 k( 255) = ( 0.6439651 0.6439651 0.2120699), wk = 0.0031949 k( 256) = ( 0.6404537 0.6404537 0.2190926), wk = 0.0031949 k( 257) = ( 0.6369424 0.6369424 0.2261153), wk = 0.0031949 k( 258) = ( 0.6334310 0.6334310 0.2331380), wk = 0.0031949 k( 259) = ( 0.6299197 0.6299197 0.2401606), wk = 0.0031949 k( 260) = ( 0.6264083 0.6264083 0.2471833), wk = 0.0031949 k( 261) = ( 0.6228970 0.6228970 0.2542060), wk = 0.0031949 k( 262) = ( 0.6193857 0.6193857 0.2612287), wk = 0.0031949 k( 263) = ( 0.6158743 0.6158743 0.2682514), wk = 0.0031949 k( 264) = ( 0.6123630 0.6123630 0.2752741), wk = 0.0031949 k( 265) = ( 0.6088516 0.6088516 0.2822968), wk = 0.0031949 k( 266) = ( 0.6053403 0.6053403 0.2893194), wk = 0.0031949 k( 267) = ( 0.6018289 0.6018289 0.2963421), wk = 0.0031949 k( 268) = ( 0.5983176 0.5983176 0.3033648), wk = 0.0031949 k( 269) = ( 0.5948062 0.5948062 0.3103875), wk = 0.0031949 k( 270) = ( 0.5912949 0.5912949 0.3174102), wk = 0.0031949 k( 271) = ( 0.5877836 0.5877836 0.3244329), wk = 0.0031949 k( 272) = ( 0.5842722 0.5842722 0.3314555), wk = 0.0031949 k( 273) = ( 0.5807609 0.5807609 0.3384782), wk = 0.0031949 k( 274) = ( 0.5772495 0.5772495 0.3455009), wk = 0.0031949 k( 275) = ( 0.5737382 0.5737382 0.3525236), wk = 0.0031949 k( 276) = ( 0.5702268 0.5702268 0.3595463), wk = 0.0031949 k( 277) = ( 0.5667155 0.5667155 0.3665690), wk = 0.0031949 k( 278) = ( 0.5632042 0.5632042 0.3735917), wk = 0.0031949 k( 279) = ( 0.5596928 0.5596928 0.3806143), wk = 0.0031949 k( 280) = ( 0.5561815 0.5561815 0.3876370), wk = 0.0031949 k( 281) = ( 0.5526701 0.5526701 0.3946597), wk = 0.0031949 k( 282) = ( 0.5491588 0.5491588 0.4016824), wk = 0.0031949 k( 283) = ( 0.5456475 0.5456475 0.4087051), wk = 0.0031949 k( 284) = ( 0.5421361 0.5421361 0.4157278), wk = 0.0031949 k( 285) = ( 0.5386248 0.5386248 0.4227505), wk = 0.0031949 k( 286) = ( 0.5351134 0.5351134 0.4297732), wk = 0.0031949 k( 287) = ( 0.5316021 0.5316021 0.4367958), wk = 0.0031949 k( 288) = ( 0.5280907 0.5280907 0.4438185), wk = 0.0031949 k( 289) = ( 0.5245794 0.5245794 0.4508412), wk = 0.0031949 k( 290) = ( 0.5210681 0.5210681 0.4578639), wk = 0.0031949 k( 291) = ( 0.5175567 0.5175567 0.4648866), wk = 0.0031949 k( 292) = ( 0.5140454 0.5140454 0.4719093), wk = 0.0031949 k( 293) = ( 0.5105340 0.5105340 0.4789319), wk = 0.0031949 k( 294) = ( 0.5070227 0.5070227 0.4859546), wk = 0.0031949 k( 295) = ( 0.5035113 0.5035113 0.4929773), wk = 0.0031949 k( 296) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 297) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031949 k( 298) = ( 0.5197513 0.0213743 0.0213744), wk = 0.0031949 k( 299) = ( 0.5395026 0.0427487 0.0427487), wk = 0.0031949 k( 300) = ( 0.5592539 0.0641231 0.0641231), wk = 0.0031949 k( 301) = ( 0.5790052 0.0854974 0.0854974), wk = 0.0031949 k( 302) = ( 0.5987565 0.1068717 0.1068717), wk = 0.0031949 k( 303) = ( 0.6185078 0.1282461 0.1282461), wk = 0.0031949 k( 304) = ( 0.6382591 0.1496204 0.1496204), wk = 0.0031949 k( 305) = ( 0.6580104 0.1709948 0.1709948), wk = 0.0031949 k( 306) = ( 0.6777617 0.1923691 0.1923691), wk = 0.0031949 k( 307) = ( 0.6975130 0.2137435 0.2137435), wk = 0.0031949 k( 308) = ( 0.7172643 0.2351178 0.2351178), wk = 0.0031949 k( 309) = ( 0.7370156 0.2564922 0.2564922), wk = 0.0031949 k( 310) = ( 0.7567669 0.2778665 0.2778665), wk = 0.0031949 k( 311) = ( 0.7765182 0.2992409 0.2992409), wk = 0.0031949 k( 312) = ( 0.7962695 0.3206152 0.3206152), wk = 0.0031949 k( 313) = ( 0.8160208 0.3419896 0.3419896), wk = 0.0031949 Dense grid: 59817 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 25899 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 188, 40) NL pseudopotentials 0.17 Mb ( 94, 116) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.01 Mb ( 1661) G-vector shells 0.01 Mb ( 1397) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.46 Mb ( 188, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.14 Mb ( 116, 2, 40) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Sr2NCl.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 5.7 secs Computing kpt #: 5 total cpu time spent up to now is 6.3 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.2 secs Computing kpt #: 8 total cpu time spent up to now is 7.8 secs Computing kpt #: 9 total cpu time spent up to now is 8.3 secs Computing kpt #: 10 total cpu time spent up to now is 8.8 secs Computing kpt #: 11 total cpu time spent up to now is 9.5 secs Computing kpt #: 12 total cpu time spent up to now is 10.3 secs Computing kpt #: 13 total cpu time spent up to now is 11.0 secs Computing kpt #: 14 total cpu time spent up to now is 11.6 secs Computing kpt #: 15 total cpu time spent up to now is 12.1 secs Computing kpt #: 16 total cpu time spent up to now is 12.7 secs Computing kpt #: 17 total cpu time spent up to now is 13.2 secs Computing kpt #: 18 total cpu time spent up to now is 13.8 secs Computing kpt #: 19 total cpu time spent up to now is 14.3 secs Computing kpt #: 20 total cpu time spent up to now is 14.9 secs Computing kpt #: 21 total cpu time spent up to now is 15.4 secs Computing kpt #: 22 total cpu time spent up to now is 15.9 secs Computing kpt #: 23 total cpu time spent up to now is 16.4 secs Computing kpt #: 24 total cpu time spent up to now is 16.9 secs Computing kpt #: 25 total cpu time spent up to now is 17.5 secs Computing kpt #: 26 total cpu time spent up to now is 18.0 secs Computing kpt #: 27 total cpu time spent up to now is 18.6 secs Computing kpt #: 28 total cpu time spent up to now is 19.1 secs Computing kpt #: 29 total cpu time spent up to now is 19.6 secs Computing kpt #: 30 total cpu time spent up to now is 20.1 secs Computing kpt #: 31 total cpu time spent up to now is 20.6 secs Computing kpt #: 32 total cpu time spent up to now is 21.0 secs Computing kpt #: 33 total cpu time spent up to now is 21.6 secs Computing kpt #: 34 total cpu time spent up to now is 22.1 secs Computing kpt #: 35 total cpu time spent up to now is 22.6 secs Computing kpt #: 36 total cpu time spent up to now is 23.1 secs Computing kpt #: 37 total cpu time spent up to now is 23.6 secs Computing kpt #: 38 total cpu time spent up to now is 24.2 secs Computing kpt #: 39 total cpu time spent up to now is 24.7 secs Computing kpt #: 40 total cpu time spent up to now is 25.1 secs Computing kpt #: 41 total cpu time spent up to now is 25.6 secs Computing kpt #: 42 total cpu time spent up to now is 26.1 secs Computing kpt #: 43 total cpu time spent up to now is 26.5 secs Computing kpt #: 44 total cpu time spent up to now is 27.0 secs Computing kpt #: 45 total cpu time spent up to now is 27.4 secs Computing kpt #: 46 total cpu time spent up to now is 27.9 secs Computing kpt #: 47 total cpu time spent up to now is 28.3 secs Computing kpt #: 48 total cpu time spent up to now is 28.8 secs Computing kpt #: 49 total cpu time spent up to now is 29.3 secs Computing kpt #: 50 total cpu time spent up to now is 29.7 secs Computing kpt #: 51 total cpu time spent up to now is 30.2 secs Computing kpt #: 52 total cpu time spent up to now is 30.6 secs Computing kpt #: 53 total cpu time spent up to now is 31.1 secs Computing kpt #: 54 total cpu time spent up to now is 31.6 secs Computing kpt #: 55 total cpu time spent up to now is 32.1 secs Computing kpt #: 56 total cpu time spent up to now is 32.7 secs Computing kpt #: 57 total cpu time spent up to now is 33.3 secs Computing kpt #: 58 total cpu time spent up to now is 33.8 secs Computing kpt #: 59 total cpu time spent up to now is 34.2 secs Computing kpt #: 60 total cpu time spent up to now is 34.7 secs Computing kpt #: 61 total cpu time spent up to now is 35.6 secs Computing kpt #: 62 total cpu time spent up to now is 36.0 secs Computing kpt #: 63 total cpu time spent up to now is 36.5 secs Computing kpt #: 64 total cpu time spent up to now is 36.9 secs Computing kpt #: 65 total cpu time spent up to now is 37.4 secs Computing kpt #: 66 total cpu time spent up to now is 37.8 secs Computing kpt #: 67 total cpu time spent up to now is 38.3 secs Computing kpt #: 68 total cpu time spent up to now is 38.7 secs Computing kpt #: 69 total cpu time spent up to now is 39.2 secs Computing kpt #: 70 total cpu time spent up to now is 39.6 secs Computing kpt #: 71 total cpu time spent up to now is 40.1 secs Computing kpt #: 72 total cpu time spent up to now is 40.5 secs Computing kpt #: 73 total cpu time spent up to now is 40.9 secs Computing kpt #: 74 total cpu time spent up to now is 41.4 secs Computing kpt #: 75 total cpu time spent up to now is 41.9 secs Computing kpt #: 76 total cpu time spent up to now is 42.3 secs Computing kpt #: 77 total cpu time spent up to now is 42.8 secs Computing kpt #: 78 total cpu time spent up to now is 43.2 secs Computing kpt #: 79 total cpu time spent up to now is 43.7 secs Computing kpt #: 80 total cpu time spent up to now is 44.1 secs Computing kpt #: 81 total cpu time spent up to now is 44.6 secs Computing kpt #: 82 total cpu time spent up to now is 45.0 secs Computing kpt #: 83 total cpu time spent up to now is 45.5 secs Computing kpt #: 84 total cpu time spent up to now is 46.0 secs Computing kpt #: 85 total cpu time spent up to now is 46.4 secs Computing kpt #: 86 total cpu time spent up to now is 46.9 secs Computing kpt #: 87 total cpu time spent up to now is 47.3 secs Computing kpt #: 88 total cpu time spent up to now is 47.8 secs Computing kpt #: 89 total cpu time spent up to now is 48.2 secs Computing kpt #: 90 total cpu time spent up to now is 48.7 secs Computing kpt #: 91 total cpu time spent up to now is 49.2 secs Computing kpt #: 92 total cpu time spent up to now is 49.6 secs Computing kpt #: 93 total cpu time spent up to now is 50.1 secs Computing kpt #: 94 total cpu time spent up to now is 50.6 secs Computing kpt #: 95 total cpu time spent up to now is 51.0 secs Computing kpt #: 96 total cpu time spent up to now is 51.5 secs Computing kpt #: 97 total cpu time spent up to now is 52.0 secs Computing kpt #: 98 total cpu time spent up to now is 52.5 secs Computing kpt #: 99 total cpu time spent up to now is 52.9 secs Computing kpt #: 100 total cpu time spent up to now is 53.4 secs Computing kpt #: 101 total cpu time spent up to now is 53.9 secs Computing kpt #: 102 total cpu time spent up to now is 54.3 secs Computing kpt #: 103 total cpu time spent up to now is 54.8 secs Computing kpt #: 104 total cpu time spent up to now is 55.2 secs Computing kpt #: 105 total cpu time spent up to now is 55.7 secs Computing kpt #: 106 total cpu time spent up to now is 56.2 secs Computing kpt #: 107 total cpu time spent up to now is 56.6 secs Computing kpt #: 108 total cpu time spent up to now is 57.1 secs Computing kpt #: 109 total cpu time spent up to now is 57.5 secs Computing kpt #: 110 total cpu time spent up to now is 58.0 secs Computing kpt #: 111 total cpu time spent up to now is 58.5 secs Computing kpt #: 112 total cpu time spent up to now is 58.9 secs Computing kpt #: 113 total cpu time spent up to now is 59.4 secs Computing kpt #: 114 total cpu time spent up to now is 59.8 secs Computing kpt #: 115 total cpu time spent up to now is 60.3 secs Computing kpt #: 116 total cpu time spent up to now is 60.7 secs Computing kpt #: 117 total cpu time spent up to now is 61.2 secs Computing kpt #: 118 total cpu time spent up to now is 61.7 secs Computing kpt #: 119 total cpu time spent up to now is 62.1 secs Computing kpt #: 120 total cpu time spent up to now is 62.6 secs Computing kpt #: 121 total cpu time spent up to now is 63.1 secs Computing kpt #: 122 total cpu time spent up to now is 63.6 secs Computing kpt #: 123 total cpu time spent up to now is 64.1 secs Computing kpt #: 124 total cpu time spent up to now is 64.6 secs Computing kpt #: 125 total cpu time spent up to now is 65.2 secs Computing kpt #: 126 total cpu time spent up to now is 65.7 secs Computing kpt #: 127 total cpu time spent up to now is 66.2 secs Computing kpt #: 128 total cpu time spent up to now is 66.8 secs Computing kpt #: 129 total cpu time spent up to now is 67.3 secs Computing kpt #: 130 total cpu time spent up to now is 67.9 secs Computing kpt #: 131 total cpu time spent up to now is 68.4 secs Computing kpt #: 132 total cpu time spent up to now is 69.0 secs Computing kpt #: 133 total cpu time spent up to now is 69.5 secs Computing kpt #: 134 total cpu time spent up to now is 70.1 secs Computing kpt #: 135 total cpu time spent up to now is 70.8 secs Computing kpt #: 136 total cpu time spent up to now is 71.4 secs Computing kpt #: 137 total cpu time spent up to now is 71.9 secs Computing kpt #: 138 total cpu time spent up to now is 72.5 secs Computing kpt #: 139 total cpu time spent up to now is 73.0 secs Computing kpt #: 140 total cpu time spent up to now is 73.6 secs Computing kpt #: 141 total cpu time spent up to now is 74.1 secs Computing kpt #: 142 total cpu time spent up to now is 74.7 secs Computing kpt #: 143 total cpu time spent up to now is 75.2 secs Computing kpt #: 144 total cpu time spent up to now is 75.8 secs Computing kpt #: 145 total cpu time spent up to now is 76.3 secs Computing kpt #: 146 total cpu time spent up to now is 76.9 secs Computing kpt #: 147 total cpu time spent up to now is 77.4 secs Computing kpt #: 148 total cpu time spent up to now is 78.0 secs Computing kpt #: 149 total cpu time spent up to now is 78.5 secs Computing kpt #: 150 total cpu time spent up to now is 79.0 secs Computing kpt #: 151 total cpu time spent up to now is 79.6 secs Computing kpt #: 152 total cpu time spent up to now is 80.1 secs Computing kpt #: 153 total cpu time spent up to now is 80.7 secs Computing kpt #: 154 total cpu time spent up to now is 81.1 secs Computing kpt #: 155 total cpu time spent up to now is 81.7 secs Computing kpt #: 156 total cpu time spent up to now is 82.2 secs Computing kpt #: 157 total cpu time spent up to now is 82.7 secs Computing kpt #: 158 total cpu time spent up to now is 83.3 secs Computing kpt #: 159 total cpu time spent up to now is 83.8 secs Computing kpt #: 160 total cpu time spent up to now is 84.3 secs Computing kpt #: 161 total cpu time spent up to now is 84.9 secs Computing kpt #: 162 total cpu time spent up to now is 85.4 secs Computing kpt #: 163 total cpu time spent up to now is 86.0 secs Computing kpt #: 164 total cpu time spent up to now is 86.5 secs Computing kpt #: 165 total cpu time spent up to now is 87.0 secs Computing kpt #: 166 total cpu time spent up to now is 87.5 secs Computing kpt #: 167 total cpu time spent up to now is 87.9 secs Computing kpt #: 168 total cpu time spent up to now is 88.4 secs Computing kpt #: 169 total cpu time spent up to now is 88.9 secs Computing kpt #: 170 total cpu time spent up to now is 89.4 secs Computing kpt #: 171 total cpu time spent up to now is 90.0 secs Computing kpt #: 172 total cpu time spent up to now is 90.5 secs Computing kpt #: 173 total cpu time spent up to now is 91.0 secs Computing kpt #: 174 total cpu time spent up to now is 91.6 secs Computing kpt #: 175 total cpu time spent up to now is 92.1 secs Computing kpt #: 176 total cpu time spent up to now is 92.7 secs Computing kpt #: 177 total cpu time spent up to now is 93.2 secs Computing kpt #: 178 total cpu time spent up to now is 93.8 secs Computing kpt #: 179 total cpu time spent up to now is 94.3 secs Computing kpt #: 180 total cpu time spent up to now is 94.9 secs Computing kpt #: 181 total cpu time spent up to now is 95.4 secs Computing kpt #: 182 total cpu time spent up to now is 96.1 secs Computing kpt #: 183 total cpu time spent up to now is 96.6 secs Computing kpt #: 184 total cpu time spent up to now is 97.2 secs Computing kpt #: 185 total cpu time spent up to now is 97.6 secs Computing kpt #: 186 total cpu time spent up to now is 98.1 secs Computing kpt #: 187 total cpu time spent up to now is 98.6 secs Computing kpt #: 188 total cpu time spent up to now is 99.0 secs Computing kpt #: 189 total cpu time spent up to now is 99.5 secs Computing kpt #: 190 total cpu time spent up to now is 100.0 secs Computing kpt #: 191 total cpu time spent up to now is 100.4 secs Computing kpt #: 192 total cpu time spent up to now is 100.9 secs Computing kpt #: 193 total cpu time spent up to now is 101.3 secs Computing kpt #: 194 total cpu time spent up to now is 101.8 secs Computing kpt #: 195 total cpu time spent up to now is 102.2 secs Computing kpt #: 196 total cpu time spent up to now is 102.6 secs Computing kpt #: 197 total cpu time spent up to now is 103.1 secs Computing kpt #: 198 total cpu time spent up to now is 103.5 secs Computing kpt #: 199 total cpu time spent up to now is 103.9 secs Computing kpt #: 200 total cpu time spent up to now is 104.4 secs Computing kpt #: 201 total cpu time spent up to now is 104.8 secs Computing kpt #: 202 total cpu time spent up to now is 105.2 secs Computing kpt #: 203 total cpu time spent up to now is 105.7 secs Computing kpt #: 204 total cpu time spent up to now is 106.1 secs Computing kpt #: 205 total cpu time spent up to now is 106.6 secs Computing kpt #: 206 total cpu time spent up to now is 107.0 secs Computing kpt #: 207 total cpu time spent up to now is 107.4 secs Computing kpt #: 208 total cpu time spent up to now is 107.9 secs Computing kpt #: 209 total cpu time spent up to now is 108.3 secs Computing kpt #: 210 total cpu time spent up to now is 108.8 secs Computing kpt #: 211 total cpu time spent up to now is 109.2 secs Computing kpt #: 212 total cpu time spent up to now is 109.7 secs Computing kpt #: 213 total cpu time spent up to now is 110.1 secs Computing kpt #: 214 total cpu time spent up to now is 110.6 secs Computing kpt #: 215 total cpu time spent up to now is 111.1 secs Computing kpt #: 216 total cpu time spent up to now is 111.5 secs Computing kpt #: 217 total cpu time spent up to now is 112.0 secs Computing kpt #: 218 total cpu time spent up to now is 112.6 secs Computing kpt #: 219 total cpu time spent up to now is 113.1 secs Computing kpt #: 220 total cpu time spent up to now is 113.5 secs Computing kpt #: 221 total cpu time spent up to now is 114.0 secs Computing kpt #: 222 total cpu time spent up to now is 114.5 secs Computing kpt #: 223 total cpu time spent up to now is 114.9 secs Computing kpt #: 224 total cpu time spent up to now is 115.5 secs Computing kpt #: 225 total cpu time spent up to now is 116.0 secs Computing kpt #: 226 total cpu time spent up to now is 116.6 secs Computing kpt #: 227 total cpu time spent up to now is 117.1 secs Computing kpt #: 228 total cpu time spent up to now is 117.5 secs Computing kpt #: 229 total cpu time spent up to now is 118.0 secs Computing kpt #: 230 total cpu time spent up to now is 118.5 secs Computing kpt #: 231 total cpu time spent up to now is 118.9 secs Computing kpt #: 232 total cpu time spent up to now is 119.4 secs Computing kpt #: 233 total cpu time spent up to now is 119.8 secs Computing kpt #: 234 total cpu time spent up to now is 120.3 secs Computing kpt #: 235 total cpu time spent up to now is 120.7 secs Computing kpt #: 236 total cpu time spent up to now is 121.2 secs Computing kpt #: 237 total cpu time spent up to now is 121.7 secs Computing kpt #: 238 total cpu time spent up to now is 122.1 secs Computing kpt #: 239 total cpu time spent up to now is 122.6 secs Computing kpt #: 240 total cpu time spent up to now is 123.0 secs Computing kpt #: 241 total cpu time spent up to now is 123.5 secs Computing kpt #: 242 total cpu time spent up to now is 123.9 secs Computing kpt #: 243 total cpu time spent up to now is 124.4 secs Computing kpt #: 244 total cpu time spent up to now is 124.8 secs Computing kpt #: 245 total cpu time spent up to now is 125.3 secs Computing kpt #: 246 total cpu time spent up to now is 125.7 secs Computing kpt #: 247 total cpu time spent up to now is 126.2 secs Computing kpt #: 248 total cpu time spent up to now is 126.6 secs Computing kpt #: 249 total cpu time spent up to now is 127.1 secs Computing kpt #: 250 total cpu time spent up to now is 127.5 secs Computing kpt #: 251 total cpu time spent up to now is 128.0 secs Computing kpt #: 252 total cpu time spent up to now is 128.4 secs Computing kpt #: 253 total cpu time spent up to now is 128.9 secs Computing kpt #: 254 total cpu time spent up to now is 129.4 secs Computing kpt #: 255 total cpu time spent up to now is 129.8 secs Computing kpt #: 256 total cpu time spent up to now is 130.3 secs Computing kpt #: 257 total cpu time spent up to now is 130.7 secs Computing kpt #: 258 total cpu time spent up to now is 131.2 secs Computing kpt #: 259 total cpu time spent up to now is 131.7 secs Computing kpt #: 260 total cpu time spent up to now is 132.1 secs Computing kpt #: 261 total cpu time spent up to now is 132.6 secs Computing kpt #: 262 total cpu time spent up to now is 133.0 secs Computing kpt #: 263 total cpu time spent up to now is 133.5 secs Computing kpt #: 264 total cpu time spent up to now is 134.0 secs Computing kpt #: 265 total cpu time spent up to now is 134.5 secs Computing kpt #: 266 total cpu time spent up to now is 134.9 secs Computing kpt #: 267 total cpu time spent up to now is 135.4 secs Computing kpt #: 268 total cpu time spent up to now is 135.8 secs Computing kpt #: 269 total cpu time spent up to now is 136.3 secs Computing kpt #: 270 total cpu time spent up to now is 136.8 secs Computing kpt #: 271 total cpu time spent up to now is 137.2 secs Computing kpt #: 272 total cpu time spent up to now is 137.7 secs Computing kpt #: 273 total cpu time spent up to now is 138.1 secs Computing kpt #: 274 total cpu time spent up to now is 138.6 secs Computing kpt #: 275 total cpu time spent up to now is 139.1 secs Computing kpt #: 276 total cpu time spent up to now is 139.5 secs Computing kpt #: 277 total cpu time spent up to now is 140.0 secs Computing kpt #: 278 total cpu time spent up to now is 140.4 secs Computing kpt #: 279 total cpu time spent up to now is 141.3 secs Computing kpt #: 280 total cpu time spent up to now is 141.8 secs Computing kpt #: 281 total cpu time spent up to now is 142.3 secs Computing kpt #: 282 total cpu time spent up to now is 142.7 secs Computing kpt #: 283 total cpu time spent up to now is 143.2 secs Computing kpt #: 284 total cpu time spent up to now is 143.7 secs Computing kpt #: 285 total cpu time spent up to now is 144.2 secs Computing kpt #: 286 total cpu time spent up to now is 144.6 secs Computing kpt #: 287 total cpu time spent up to now is 145.1 secs Computing kpt #: 288 total cpu time spent up to now is 145.7 secs Computing kpt #: 289 total cpu time spent up to now is 146.2 secs Computing kpt #: 290 total cpu time spent up to now is 146.8 secs Computing kpt #: 291 total cpu time spent up to now is 147.4 secs Computing kpt #: 292 total cpu time spent up to now is 147.9 secs Computing kpt #: 293 total cpu time spent up to now is 148.5 secs Computing kpt #: 294 total cpu time spent up to now is 149.1 secs Computing kpt #: 295 total cpu time spent up to now is 149.7 secs Computing kpt #: 296 total cpu time spent up to now is 150.2 secs Computing kpt #: 297 total cpu time spent up to now is 150.7 secs Computing kpt #: 298 total cpu time spent up to now is 151.2 secs Computing kpt #: 299 total cpu time spent up to now is 151.6 secs Computing kpt #: 300 total cpu time spent up to now is 152.1 secs Computing kpt #: 301 total cpu time spent up to now is 152.5 secs Computing kpt #: 302 total cpu time spent up to now is 153.0 secs Computing kpt #: 303 total cpu time spent up to now is 153.4 secs Computing kpt #: 304 total cpu time spent up to now is 153.9 secs Computing kpt #: 305 total cpu time spent up to now is 154.3 secs Computing kpt #: 306 total cpu time spent up to now is 154.8 secs Computing kpt #: 307 total cpu time spent up to now is 155.3 secs Computing kpt #: 308 total cpu time spent up to now is 155.7 secs Computing kpt #: 309 total cpu time spent up to now is 156.2 secs Computing kpt #: 310 total cpu time spent up to now is 156.7 secs Computing kpt #: 311 total cpu time spent up to now is 157.1 secs Computing kpt #: 312 total cpu time spent up to now is 157.6 secs Computing kpt #: 313 total cpu time spent up to now is 158.0 secs ethr = 3.13E-08, avg # of iterations = 19.4 total cpu time spent up to now is 158.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3179 PWs) bands (ev): -26.1287 -26.1287 -26.0360 -26.0360 -9.4767 -9.4767 -8.7390 -8.7390 -8.5070 -8.5070 -7.7391 -7.7391 -7.6482 -7.6482 -7.6078 -7.6078 -7.5511 -7.5511 -2.6642 -2.6642 2.7034 2.7034 3.7979 3.7979 3.8789 3.8789 6.8678 6.8678 7.5783 7.5783 7.5946 7.5946 9.8311 9.8311 11.3294 11.3294 12.0534 12.0534 12.0728 12.0728 k = 0.0104-0.0175-0.0106 ( 3183 PWs) bands (ev): -26.1286 -26.1286 -26.0360 -26.0360 -9.4763 -9.4763 -8.7395 -8.7395 -8.5072 -8.5072 -7.7407 -7.7407 -7.6489 -7.6489 -7.6070 -7.6070 -7.5502 -7.5502 -2.6640 -2.6640 2.7039 2.7039 3.7969 3.7969 3.8779 3.8779 6.8683 6.8683 7.5770 7.5770 7.5934 7.5934 9.8362 9.8362 11.3318 11.3318 12.0513 12.0513 12.0721 12.0721 k = 0.0208-0.0349-0.0212 ( 3196 PWs) bands (ev): -26.1284 -26.1284 -26.0359 -26.0359 -9.4750 -9.4750 -8.7411 -8.7411 -8.5077 -8.5077 -7.7452 -7.7452 -7.6510 -7.6510 -7.6049 -7.6049 -7.5477 -7.5477 -2.6634 -2.6634 2.7053 2.7053 3.7938 3.7938 3.8749 3.8749 6.8699 6.8699 7.5716 7.5716 7.5911 7.5911 9.8516 9.8516 11.3392 11.3392 12.0399 12.0399 12.0756 12.0756 k = 0.0312-0.0524-0.0318 ( 3202 PWs) bands (ev): -26.1281 -26.1281 -26.0358 -26.0358 -9.4729 -9.4729 -8.7437 -8.7437 -8.5086 -8.5086 -7.7523 -7.7523 -7.6540 -7.6540 -7.6021 -7.6021 -7.5436 -7.5436 -2.6626 -2.6626 2.7077 2.7077 3.7885 3.7885 3.8702 3.8702 6.8725 6.8725 7.5606 7.5606 7.5899 7.5899 9.8768 9.8768 11.3512 11.3512 12.0169 12.0169 12.0861 12.0861 k = 0.0417-0.0699-0.0424 ( 3206 PWs) bands (ev): -26.1277 -26.1277 -26.0357 -26.0357 -9.4700 -9.4700 -8.7472 -8.7472 -8.5098 -8.5098 -7.7615 -7.7615 -7.6579 -7.6579 -7.5992 -7.5992 -7.5380 -7.5380 -2.6613 -2.6613 2.7110 2.7110 3.7806 3.7806 3.8641 3.8641 6.8762 6.8762 7.5442 7.5442 7.5899 7.5899 9.9111 9.9111 11.3676 11.3676 11.9852 11.9852 12.1022 12.1022 k = 0.0521-0.0873-0.0530 ( 3206 PWs) bands (ev): -26.1271 -26.1271 -26.0356 -26.0356 -9.4662 -9.4662 -8.7518 -8.7518 -8.5113 -8.5113 -7.7722 -7.7722 -7.6625 -7.6625 -7.5967 -7.5967 -7.5311 -7.5311 -2.6597 -2.6597 2.7151 2.7151 3.7698 3.7698 3.8571 3.8571 6.8809 6.8809 7.5236 7.5236 7.5907 7.5907 9.9539 9.9539 11.3879 11.3879 11.9468 11.9468 12.1234 12.1234 k = 0.0625-0.1048-0.0636 ( 3210 PWs) bands (ev): -26.1264 -26.1264 -26.0354 -26.0354 -9.4617 -9.4617 -8.7572 -8.7572 -8.5132 -8.5132 -7.7840 -7.7840 -7.6677 -7.6677 -7.5947 -7.5947 -7.5232 -7.5232 -2.6577 -2.6577 2.7200 2.7200 3.7557 3.7557 3.8495 3.8495 6.8867 6.8867 7.4999 7.4999 7.5920 7.5920 10.0042 10.0042 11.4112 11.4112 11.9042 11.9042 12.1493 12.1493 k = 0.0729-0.1223-0.0742 ( 3212 PWs) bands (ev): -26.1256 -26.1256 -26.0351 -26.0351 -9.4563 -9.4563 -8.7637 -8.7637 -8.5155 -8.5155 -7.7965 -7.7965 -7.6734 -7.6734 -7.5932 -7.5932 -7.5147 -7.5147 -2.6554 -2.6554 2.7256 2.7256 3.7380 3.7380 3.8418 3.8418 6.8937 6.8937 7.4739 7.4739 7.5936 7.5936 10.0611 10.0611 11.4361 11.4361 11.8600 11.8600 12.1798 12.1798 k = 0.0833-0.1397-0.0848 ( 3211 PWs) bands (ev): -26.1247 -26.1247 -26.0349 -26.0349 -9.4503 -9.4503 -8.7709 -8.7709 -8.5180 -8.5180 -7.8096 -7.8096 -7.6797 -7.6797 -7.5922 -7.5922 -7.5060 -7.5060 -2.6528 -2.6528 2.7319 2.7319 3.7168 3.7168 3.8340 3.8340 6.9018 6.9018 7.4464 7.4464 7.5955 7.5955 10.1237 10.1237 11.4597 11.4597 11.8181 11.8181 12.2149 12.2149 k = 0.0938-0.1572-0.0954 ( 3213 PWs) bands (ev): -26.1236 -26.1236 -26.0346 -26.0346 -9.4434 -9.4434 -8.7790 -8.7790 -8.5209 -8.5209 -7.8229 -7.8229 -7.6864 -7.6864 -7.5916 -7.5916 -7.4972 -7.4972 -2.6498 -2.6498 2.7388 2.7388 3.6921 3.6921 3.8263 3.8263 6.9111 6.9111 7.4180 7.4180 7.5978 7.5978 10.1910 10.1910 11.4770 11.4770 11.7843 11.7843 12.2544 12.2544 k = 0.1042-0.1747-0.1059 ( 3214 PWs) bands (ev): -26.1225 -26.1225 -26.0343 -26.0343 -9.4359 -9.4359 -8.7879 -8.7879 -8.5241 -8.5241 -7.8363 -7.8363 -7.6936 -7.6936 -7.5913 -7.5913 -7.4886 -7.4886 -2.6465 -2.6465 2.7462 2.7462 3.6642 3.6642 3.8186 3.8186 6.9216 6.9216 7.3895 7.3895 7.6003 7.6003 10.2622 10.2622 11.4806 11.4806 11.7667 11.7667 12.2981 12.2981 k = 0.1146-0.1921-0.1165 ( 3216 PWs) bands (ev): -26.1212 -26.1212 -26.0340 -26.0340 -9.4278 -9.4278 -8.7976 -8.7976 -8.5276 -8.5276 -7.8497 -7.8497 -7.7012 -7.7012 -7.5915 -7.5915 -7.4802 -7.4802 -2.6429 -2.6429 2.7540 2.7540 3.6333 3.6333 3.8108 3.8108 6.9334 6.9334 7.3613 7.3613 7.6030 7.6030 10.3365 10.3365 11.4647 11.4647 11.7715 11.7715 12.3460 12.3460 k = 0.1250-0.2096-0.1271 ( 3215 PWs) bands (ev): -26.1199 -26.1199 -26.0336 -26.0336 -9.4190 -9.4190 -8.8078 -8.8078 -8.5314 -8.5314 -7.8630 -7.8630 -7.7092 -7.7092 -7.5919 -7.5919 -7.4724 -7.4724 -2.6389 -2.6389 2.7622 2.7622 3.5996 3.5996 3.8029 3.8029 6.9464 6.9464 7.3338 7.3338 7.6060 7.6060 10.4132 10.4132 11.4312 11.4312 11.7969 11.7969 12.3978 12.3978 k = 0.1354-0.2271-0.1377 ( 3218 PWs) bands (ev): -26.1184 -26.1184 -26.0333 -26.0333 -9.4096 -9.4096 -8.8187 -8.8187 -8.5354 -8.5354 -7.8761 -7.8761 -7.7175 -7.7175 -7.5926 -7.5926 -7.4650 -7.4650 -2.6347 -2.6347 2.7706 2.7706 3.5635 3.5635 3.7948 3.7948 6.9607 6.9607 7.3074 7.3074 7.6092 7.6092 10.4916 10.4916 11.3868 11.3868 11.8362 11.8362 12.4535 12.4535 k = 0.1458-0.2445-0.1483 ( 3223 PWs) bands (ev): -26.1169 -26.1169 -26.0329 -26.0329 -9.3998 -9.3998 -8.8302 -8.8302 -8.5397 -8.5397 -7.8890 -7.8890 -7.7262 -7.7262 -7.5935 -7.5935 -7.4583 -7.4583 -2.6303 -2.6303 2.7793 2.7793 3.5252 3.5252 3.7865 3.7865 6.9762 6.9762 7.2822 7.2822 7.6126 7.6126 10.5712 10.5712 11.3368 11.3368 11.8838 11.8838 12.5128 12.5128 k = 0.1562-0.2620-0.1589 ( 3227 PWs) bands (ev): -26.1152 -26.1152 -26.0325 -26.0325 -9.3894 -9.3894 -8.8421 -8.8421 -8.5442 -8.5442 -7.9016 -7.9016 -7.7351 -7.7351 -7.5947 -7.5947 -7.4523 -7.4523 -2.6256 -2.6256 2.7880 2.7880 3.4850 3.4850 3.7780 3.7780 6.9928 6.9928 7.2586 7.2586 7.6161 7.6161 10.6512 10.6512 11.2846 11.2846 11.9359 11.9359 12.5753 12.5753 k = 0.1667-0.2794-0.1695 ( 3226 PWs) bands (ev): -26.1135 -26.1135 -26.0321 -26.0321 -9.3787 -9.3787 -8.8545 -8.8545 -8.5488 -8.5488 -7.9138 -7.9138 -7.7442 -7.7442 -7.5961 -7.5961 -7.4469 -7.4469 -2.6207 -2.6207 2.7969 2.7969 3.4431 3.4431 3.7693 3.7693 7.0102 7.0102 7.2368 7.2368 7.6198 7.6198 10.7311 10.7311 11.2319 11.2319 11.9899 11.9899 12.6407 12.6407 k = 0.1771-0.2969-0.1801 ( 3233 PWs) bands (ev): -26.1117 -26.1117 -26.0317 -26.0317 -9.3677 -9.3677 -8.8671 -8.8671 -8.5536 -8.5536 -7.9256 -7.9256 -7.7534 -7.7534 -7.5977 -7.5977 -7.4423 -7.4423 -2.6157 -2.6157 2.8057 2.8057 3.4000 3.4000 3.7603 3.7603 7.0279 7.0279 7.2173 7.2173 7.6236 7.6236 10.8103 10.8103 11.1800 11.1800 12.0438 12.0438 12.6782 12.6782 k = 0.1875-0.3144-0.1907 ( 3228 PWs) bands (ev): -26.1098 -26.1098 -26.0313 -26.0313 -9.3563 -9.3563 -8.8801 -8.8801 -8.5584 -8.5584 -7.9370 -7.9370 -7.7628 -7.7628 -7.5995 -7.5995 -7.4384 -7.4384 -2.6105 -2.6105 2.8145 2.8145 3.3558 3.3558 3.7513 3.7513 7.0450 7.0450 7.2009 7.2009 7.6275 7.6275 10.8878 10.8878 11.1300 11.1300 12.0955 12.0955 12.6607 12.6607 k = 0.1979-0.3318-0.2013 ( 3230 PWs) bands (ev): -26.1079 -26.1079 -26.0309 -26.0309 -9.3448 -9.3448 -8.8932 -8.8932 -8.5633 -8.5633 -7.9480 -7.9480 -7.7723 -7.7723 -7.6014 -7.6014 -7.4353 -7.4353 -2.6052 -2.6052 2.8232 2.8232 3.3108 3.3108 3.7420 3.7420 7.0596 7.0596 7.1893 7.1893 7.6315 7.6315 10.9605 10.9605 11.0847 11.0847 12.1430 12.1430 12.6404 12.6404 k = 0.2083-0.3493-0.2119 ( 3240 PWs) bands (ev): -26.1059 -26.1059 -26.0305 -26.0305 -9.3332 -9.3332 -8.9065 -8.9065 -8.5682 -8.5682 -7.9586 -7.9586 -7.7819 -7.7819 -7.6035 -7.6035 -7.4329 -7.4329 -2.5999 -2.5999 2.8317 2.8317 3.2654 3.2654 3.7326 3.7326 7.0686 7.0686 7.1854 7.1854 7.6355 7.6355 11.0023 11.0023 11.0705 11.0705 12.1843 12.1843 12.6177 12.6177 k = 0.2188-0.3668-0.2225 ( 3239 PWs) bands (ev): -26.1038 -26.1038 -26.0301 -26.0301 -9.3215 -9.3215 -8.9199 -8.9199 -8.5731 -8.5731 -7.9687 -7.9687 -7.7915 -7.7915 -7.6056 -7.6056 -7.4313 -7.4313 -2.5945 -2.5945 2.8401 2.8401 3.2198 3.2198 3.7231 3.7231 7.0694 7.0694 7.1915 7.1915 7.6395 7.6395 10.9735 10.9735 11.1263 11.1263 12.2176 12.2176 12.5941 12.5941 k = 0.2292-0.3842-0.2331 ( 3237 PWs) bands (ev): -26.1017 -26.1017 -26.0297 -26.0297 -9.3099 -9.3099 -8.9332 -8.9332 -8.5778 -8.5778 -7.9783 -7.9783 -7.8010 -7.8010 -7.6079 -7.6079 -7.4304 -7.4304 -2.5892 -2.5892 2.8481 2.8481 3.1744 3.1744 3.7136 3.7136 7.0623 7.0623 7.2070 7.2070 7.6436 7.6436 10.9325 10.9325 11.1933 11.1933 12.2417 12.2417 12.5720 12.5720 k = 0.2396-0.4017-0.2437 ( 3239 PWs) bands (ev): -26.0995 -26.0995 -26.0293 -26.0293 -9.2984 -9.2984 -8.9464 -8.9464 -8.5824 -8.5824 -7.9875 -7.9875 -7.8105 -7.8105 -7.6103 -7.6103 -7.4302 -7.4302 -2.5840 -2.5840 2.8558 2.8558 3.1297 3.1297 3.7040 3.7040 7.0502 7.0502 7.2287 7.2287 7.6476 7.6476 10.8918 10.8918 11.2585 11.2585 12.2558 12.2558 12.5543 12.5543 k = 0.2500-0.4192-0.2543 ( 3236 PWs) bands (ev): -26.0974 -26.0974 -26.0290 -26.0290 -9.2872 -9.2872 -8.9595 -8.9595 -8.5867 -8.5867 -7.9961 -7.9961 -7.8199 -7.8199 -7.6127 -7.6127 -7.4307 -7.4307 -2.5789 -2.5789 2.8627 2.8627 3.0860 3.0860 3.6944 3.6944 7.0353 7.0353 7.2541 7.2541 7.6515 7.6515 10.8526 10.8526 11.3199 11.3199 12.2604 12.2604 12.5431 12.5431 k = 0.2604-0.4366-0.2649 ( 3236 PWs) bands (ev): -26.0952 -26.0952 -26.0287 -26.0287 -9.2763 -9.2763 -8.9724 -8.9724 -8.5907 -8.5907 -8.0043 -8.0043 -7.8292 -7.8292 -7.6152 -7.6152 -7.4319 -7.4319 -2.5739 -2.5739 2.8684 2.8684 3.0441 3.0441 3.6849 3.6849 7.0188 7.0188 7.2816 7.2816 7.6554 7.6554 10.8154 10.8154 11.3762 11.3762 12.2569 12.2569 12.5395 12.5395 k = 0.2708-0.4541-0.2755 ( 3237 PWs) bands (ev): -26.0929 -26.0929 -26.0284 -26.0284 -9.2659 -9.2659 -8.9850 -8.9850 -8.5944 -8.5944 -8.0119 -8.0119 -7.8383 -7.8383 -7.6177 -7.6177 -7.4336 -7.4336 -2.5691 -2.5691 2.8718 2.8718 3.0055 3.0055 3.6755 3.6755 7.0012 7.0012 7.3104 7.3104 7.6591 7.6591 10.7803 10.7803 11.4267 11.4267 12.2483 12.2483 12.5432 12.5432 k = 0.2812-0.4716-0.2861 ( 3241 PWs) bands (ev): -26.0907 -26.0907 -26.0281 -26.0281 -9.2559 -9.2559 -8.9973 -8.9973 -8.5976 -8.5976 -8.0191 -8.0191 -7.8472 -7.8472 -7.6202 -7.6202 -7.4360 -7.4360 -2.5645 -2.5645 2.8699 2.8699 2.9732 2.9732 3.6661 3.6661 6.9829 6.9829 7.3398 7.3398 7.6628 7.6628 10.7472 10.7472 11.4703 11.4703 12.2374 12.2374 12.5534 12.5534 k = 0.2917-0.4890-0.2966 ( 3242 PWs) bands (ev): -26.0885 -26.0885 -26.0279 -26.0279 -9.2465 -9.2465 -9.0091 -9.0091 -8.6005 -8.6005 -8.0257 -8.0257 -7.8559 -7.8559 -7.6227 -7.6227 -7.4388 -7.4388 -2.5602 -2.5602 2.8580 2.8580 2.9520 2.9520 3.6570 3.6570 6.9641 6.9641 7.3693 7.3693 7.6663 7.6663 10.7161 10.7161 11.5062 11.5062 12.2272 12.2272 12.5690 12.5690 k = 0.3021-0.5065-0.3072 ( 3242 PWs) bands (ev): -26.0862 -26.0862 -26.0277 -26.0277 -9.2378 -9.2378 -9.0205 -9.0205 -8.6028 -8.6028 -8.0319 -8.0319 -7.8644 -7.8644 -7.6252 -7.6252 -7.4422 -7.4422 -2.5562 -2.5562 2.8344 2.8344 2.9440 2.9440 3.6480 3.6480 6.9449 6.9449 7.3985 7.3985 7.6696 7.6696 10.6870 10.6870 11.5339 11.5339 12.2197 12.2197 12.5890 12.5890 k = 0.3125-0.5240-0.3178 ( 3243 PWs) bands (ev): -26.0840 -26.0840 -26.0276 -26.0276 -9.2299 -9.2299 -9.0314 -9.0314 -8.6046 -8.6046 -8.0375 -8.0375 -7.8726 -7.8726 -7.6277 -7.6277 -7.4460 -7.4460 -2.5525 -2.5525 2.8038 2.8038 2.9445 2.9445 3.6392 3.6392 6.9253 6.9253 7.4272 7.4272 7.6729 7.6729 10.6599 10.6599 11.5532 11.5532 12.2165 12.2165 12.6129 12.6129 k = 0.3229-0.5414-0.3284 ( 3239 PWs) bands (ev): -26.0818 -26.0818 -26.0275 -26.0275 -9.2227 -9.2227 -9.0418 -9.0418 -8.6059 -8.6059 -8.0426 -8.0426 -7.8805 -7.8805 -7.6301 -7.6301 -7.4501 -7.4501 -2.5490 -2.5490 2.7710 2.7710 2.9488 2.9488 3.6307 3.6307 6.9055 6.9055 7.4549 7.4549 7.6760 7.6760 10.6346 10.6346 11.5642 11.5642 12.2180 12.2180 12.6400 12.6400 k = 0.3333-0.5589-0.3390 ( 3237 PWs) bands (ev): -26.0797 -26.0797 -26.0274 -26.0274 -9.2164 -9.2164 -9.0515 -9.0515 -8.6066 -8.6066 -8.0472 -8.0472 -7.8882 -7.8882 -7.6325 -7.6325 -7.4546 -7.4546 -2.5459 -2.5459 2.7381 2.7381 2.9550 2.9550 3.6226 3.6226 6.8857 6.8857 7.4816 7.4816 7.6789 7.6789 10.6112 10.6112 11.5679 11.5679 12.2245 12.2245 12.6699 12.6699 k = 0.3438-0.5764-0.3496 ( 3237 PWs) bands (ev): -26.0775 -26.0775 -26.0274 -26.0274 -9.2109 -9.2109 -9.0607 -9.0607 -8.6068 -8.6068 -8.0513 -8.0513 -7.8954 -7.8954 -7.6348 -7.6348 -7.4593 -7.4593 -2.5432 -2.5432 2.7061 2.7061 2.9620 2.9620 3.6147 3.6147 6.8658 6.8658 7.5068 7.5068 7.6817 7.6817 10.5895 10.5895 11.5652 11.5652 12.2353 12.2353 12.7021 12.7021 k = 0.3542-0.5938-0.3602 ( 3244 PWs) bands (ev): -26.0755 -26.0755 -26.0274 -26.0274 -9.2063 -9.2063 -9.0691 -9.0691 -8.6066 -8.6066 -8.0549 -8.0549 -7.9024 -7.9024 -7.6371 -7.6371 -7.4642 -7.4642 -2.5407 -2.5407 2.6755 2.6755 2.9694 2.9694 3.6072 3.6072 6.8462 6.8462 7.5305 7.5305 7.6844 7.6844 10.5695 10.5695 11.5574 11.5574 12.2499 12.2499 12.7364 12.7364 k = 0.3646-0.6113-0.3708 ( 3248 PWs) bands (ev): -26.0735 -26.0735 -26.0275 -26.0275 -9.2025 -9.2025 -9.0769 -9.0769 -8.6058 -8.6058 -8.0580 -8.0580 -7.9090 -7.9090 -7.6392 -7.6392 -7.4692 -7.4692 -2.5385 -2.5385 2.6466 2.6466 2.9771 2.9771 3.6001 3.6001 6.8268 6.8268 7.5526 7.5526 7.6869 7.6869 10.5511 10.5511 11.5459 11.5459 12.2674 12.2674 12.7723 12.7723 k = 0.3750-0.6288-0.3814 ( 3246 PWs) bands (ev): -26.0715 -26.0715 -26.0276 -26.0276 -9.1996 -9.1996 -9.0839 -9.0839 -8.6047 -8.6047 -8.0607 -8.0607 -7.9152 -7.9152 -7.6412 -7.6412 -7.4742 -7.4742 -2.5366 -2.5366 2.6195 2.6195 2.9847 2.9847 3.5934 3.5934 6.8079 6.8079 7.5727 7.5727 7.6894 7.6894 10.5343 10.5343 11.5319 11.5319 12.2869 12.2869 12.8097 12.8097 k = 0.3854-0.6462-0.3920 ( 3253 PWs) bands (ev): -26.0696 -26.0696 -26.0277 -26.0277 -9.1974 -9.1974 -9.0903 -9.0903 -8.6033 -8.6033 -8.0629 -8.0629 -7.9211 -7.9211 -7.6432 -7.6432 -7.4792 -7.4792 -2.5351 -2.5351 2.5945 2.5945 2.9922 2.9922 3.5871 3.5871 6.7896 6.7896 7.5910 7.5910 7.6918 7.6918 10.5191 10.5191 11.5164 11.5164 12.3078 12.3078 12.8481 12.8481 k = 0.3958-0.6637-0.4026 ( 3257 PWs) bands (ev): -26.0679 -26.0679 -26.0279 -26.0279 -9.1958 -9.1958 -9.0959 -9.0959 -8.6015 -8.6015 -8.0647 -8.0647 -7.9266 -7.9266 -7.6450 -7.6450 -7.4841 -7.4841 -2.5337 -2.5337 2.5714 2.5714 2.9995 2.9995 3.5814 3.5814 6.7722 6.7722 7.6072 7.6072 7.6942 7.6942 10.5053 10.5053 11.5002 11.5002 12.3294 12.3294 12.8872 12.8872 k = 0.4062-0.6812-0.4132 ( 3258 PWs) bands (ev): -26.0662 -26.0662 -26.0281 -26.0281 -9.1949 -9.1949 -9.1009 -9.1009 -8.5997 -8.5997 -8.0661 -8.0661 -7.9316 -7.9316 -7.6466 -7.6466 -7.4888 -7.4888 -2.5326 -2.5326 2.5505 2.5505 3.0064 3.0064 3.5761 3.5761 6.7557 6.7557 7.6215 7.6215 7.6967 7.6967 10.4930 10.4930 11.4840 11.4840 12.3511 12.3511 12.9264 12.9264 k = 0.4167-0.6986-0.4238 ( 3262 PWs) bands (ev): -26.0646 -26.0646 -26.0283 -26.0283 -9.1944 -9.1944 -9.1052 -9.1052 -8.5977 -8.5977 -8.0671 -8.0671 -7.9362 -7.9362 -7.6482 -7.6482 -7.4933 -7.4933 -2.5317 -2.5317 2.5317 2.5317 3.0130 3.0130 3.5713 3.5713 6.7404 6.7404 7.6336 7.6336 7.6992 7.6992 10.4821 10.4821 11.4684 11.4684 12.3724 12.3724 12.9652 12.9652 k = 0.4271-0.7161-0.4344 ( 3260 PWs) bands (ev): -26.0632 -26.0632 -26.0285 -26.0285 -9.1943 -9.1943 -9.1089 -9.1089 -8.5957 -8.5957 -8.0679 -8.0679 -7.9403 -7.9403 -7.6495 -7.6495 -7.4974 -7.4974 -2.5310 -2.5310 2.5151 2.5151 3.0190 3.0190 3.5670 3.5670 6.7265 6.7265 7.6438 7.6438 7.7017 7.7017 10.4726 10.4726 11.4538 11.4538 12.3928 12.3928 13.0028 13.0028 k = 0.4375-0.7336-0.4450 ( 3259 PWs) bands (ev): -26.0619 -26.0619 -26.0288 -26.0288 -9.1945 -9.1945 -9.1120 -9.1120 -8.5938 -8.5938 -8.0684 -8.0684 -7.9440 -7.9440 -7.6507 -7.6507 -7.5011 -7.5011 -2.5305 -2.5305 2.5007 2.5007 3.0244 3.0244 3.5633 3.5633 6.7140 6.7140 7.6521 7.6521 7.7043 7.7043 10.4644 10.4644 11.4405 11.4405 12.4117 12.4117 13.0384 13.0384 k = 0.4479-0.7510-0.4556 ( 3259 PWs) bands (ev): -26.0607 -26.0607 -26.0290 -26.0290 -9.1948 -9.1948 -9.1146 -9.1146 -8.5921 -8.5921 -8.0687 -8.0687 -7.9471 -7.9471 -7.6518 -7.6518 -7.5044 -7.5044 -2.5300 -2.5300 2.4884 2.4884 3.0291 3.0291 3.5601 3.5601 6.7032 6.7032 7.6585 7.6585 7.7069 7.7069 10.4575 10.4575 11.4289 11.4289 12.4287 12.4287 13.0710 13.0710 k = 0.4583-0.7685-0.4662 ( 3264 PWs) bands (ev): -26.0598 -26.0598 -26.0293 -26.0293 -9.1952 -9.1952 -9.1167 -9.1167 -8.5905 -8.5905 -8.0689 -8.0689 -7.9498 -7.9498 -7.6526 -7.6526 -7.5071 -7.5071 -2.5297 -2.5297 2.4784 2.4784 3.0330 3.0330 3.5575 3.5575 6.6941 6.6941 7.6634 7.6634 7.7094 7.7094 10.4519 10.4519 11.4191 11.4191 12.4432 12.4432 13.0997 13.0997 k = 0.4688-0.7860-0.4768 ( 3265 PWs) bands (ev): -26.0590 -26.0590 -26.0294 -26.0294 -9.1956 -9.1956 -9.1183 -9.1183 -8.5893 -8.5893 -8.0690 -8.0690 -7.9518 -7.9518 -7.6533 -7.6533 -7.5093 -7.5093 -2.5295 -2.5295 2.4706 2.4706 3.0362 3.0362 3.5554 3.5554 6.6870 6.6870 7.6669 7.6669 7.7115 7.7115 10.4476 10.4476 11.4113 11.4113 12.4551 12.4551 13.1234 13.1234 k = 0.4792-0.8034-0.4873 ( 3259 PWs) bands (ev): -26.0585 -26.0585 -26.0296 -26.0296 -9.1959 -9.1959 -9.1194 -9.1194 -8.5884 -8.5884 -8.0690 -8.0690 -7.9533 -7.9533 -7.6538 -7.6538 -7.5109 -7.5109 -2.5294 -2.5294 2.4651 2.4651 3.0385 3.0385 3.5540 3.5540 6.6818 6.6818 7.6692 7.6692 7.7131 7.7131 10.4445 10.4445 11.4057 11.4057 12.4637 12.4637 13.1412 13.1412 k = 0.4896-0.8209-0.4979 ( 3253 PWs) bands (ev): -26.0581 -26.0581 -26.0297 -26.0297 -9.1961 -9.1961 -9.1201 -9.1201 -8.5878 -8.5878 -8.0690 -8.0690 -7.9542 -7.9542 -7.6541 -7.6541 -7.5119 -7.5119 -2.5293 -2.5293 2.4617 2.4617 3.0399 3.0399 3.5531 3.5531 6.6786 6.6786 7.6705 7.6705 7.7141 7.7141 10.4426 10.4426 11.4023 11.4023 12.4691 12.4691 13.1522 13.1522 k = 0.5000-0.8383-0.5085 ( 3254 PWs) bands (ev): -26.0580 -26.0580 -26.0297 -26.0297 -9.1962 -9.1962 -9.1203 -9.1203 -8.5876 -8.5876 -8.0690 -8.0690 -7.9546 -7.9546 -7.6542 -7.6542 -7.5122 -7.5122 -2.5292 -2.5292 2.4606 2.4606 3.0403 3.0403 3.5528 3.5528 6.6776 6.6776 7.6710 7.6710 7.7145 7.7145 10.4420 10.4420 11.4011 11.4011 12.4709 12.4709 13.1559 13.1559 k = 0.5000-0.8383-0.5085 ( 3254 PWs) bands (ev): -26.0580 -26.0580 -26.0297 -26.0297 -9.1962 -9.1962 -9.1203 -9.1203 -8.5876 -8.5876 -8.0690 -8.0690 -7.9546 -7.9546 -7.6542 -7.6542 -7.5122 -7.5122 -2.5292 -2.5292 2.4606 2.4606 3.0403 3.0403 3.5528 3.5528 6.6776 6.6776 7.6710 7.6710 7.7145 7.7145 10.4420 10.4420 11.4011 11.4011 12.4709 12.4709 13.1559 13.1559 k = 0.5000-0.8264-0.5283 ( 3256 PWs) bands (ev): -26.0580 -26.0580 -26.0297 -26.0297 -9.1961 -9.1961 -9.1202 -9.1202 -8.5875 -8.5875 -8.0693 -8.0693 -7.9546 -7.9546 -7.6549 -7.6549 -7.5118 -7.5118 -2.5290 -2.5290 2.4611 2.4611 3.0402 3.0402 3.5511 3.5511 6.6791 6.6791 7.6708 7.6708 7.7143 7.7143 10.4444 10.4444 11.4044 11.4044 12.4681 12.4681 13.1565 13.1565 k = 0.5000-0.8144-0.5480 ( 3256 PWs) bands (ev): -26.0579 -26.0579 -26.0297 -26.0297 -9.1959 -9.1959 -9.1201 -9.1201 -8.5873 -8.5873 -8.0702 -8.0702 -7.9546 -7.9546 -7.6571 -7.6571 -7.5106 -7.5106 -2.5284 -2.5284 2.4627 2.4627 3.0399 3.0399 3.5460 3.5460 6.6837 6.6837 7.6704 7.6704 7.7136 7.7136 10.4517 10.4517 11.4143 11.4143 12.4598 12.4598 13.1584 13.1584 k = 0.5000-0.8024-0.5677 ( 3258 PWs) bands (ev): -26.0577 -26.0577 -26.0298 -26.0298 -9.1954 -9.1954 -9.1198 -9.1198 -8.5869 -8.5869 -8.0717 -8.0717 -7.9546 -7.9546 -7.6607 -7.6607 -7.5086 -7.5086 -2.5274 -2.5274 2.4652 2.4652 3.0393 3.0393 3.5375 3.5375 6.6912 6.6912 7.6697 7.6697 7.7125 7.7125 10.4637 10.4637 11.4306 11.4306 12.4461 12.4461 13.1617 13.1617 k = 0.5000-0.7905-0.5875 ( 3258 PWs) bands (ev): -26.0575 -26.0575 -26.0298 -26.0298 -9.1948 -9.1948 -9.1194 -9.1194 -8.5863 -8.5863 -8.0738 -8.0738 -7.9547 -7.9547 -7.6654 -7.6654 -7.5061 -7.5061 -2.5260 -2.5260 2.4688 2.4688 3.0386 3.0386 3.5259 3.5259 6.7017 6.7017 7.6686 7.6686 7.7111 7.7111 10.4806 10.4806 11.4532 11.4532 12.4274 12.4274 13.1663 13.1663 k = 0.5000-0.7785-0.6072 ( 3248 PWs) bands (ev): -26.0571 -26.0571 -26.0299 -26.0299 -9.1940 -9.1940 -9.1189 -9.1189 -8.5856 -8.5856 -8.0764 -8.0764 -7.9548 -7.9548 -7.6711 -7.6711 -7.5032 -7.5032 -2.5243 -2.5243 2.4734 2.4734 3.0377 3.0377 3.5111 3.5111 6.7151 6.7151 7.6671 7.6671 7.7093 7.7093 10.5022 10.5022 11.4819 11.4819 12.4039 12.4039 13.1725 13.1725 k = 0.5000-0.7665-0.6270 ( 3254 PWs) bands (ev): -26.0568 -26.0568 -26.0299 -26.0299 -9.1931 -9.1931 -9.1183 -9.1183 -8.5847 -8.5847 -8.0794 -8.0794 -7.9549 -7.9549 -7.6775 -7.6775 -7.5002 -7.5002 -2.5223 -2.5223 2.4790 2.4790 3.0366 3.0366 3.4933 3.4933 6.7311 6.7311 7.6649 7.6649 7.7072 7.7072 10.5286 10.5286 11.5163 11.5163 12.3761 12.3761 13.1800 13.1800 k = 0.5000-0.7545-0.6467 ( 3256 PWs) bands (ev): -26.0563 -26.0563 -26.0300 -26.0300 -9.1920 -9.1920 -9.1176 -9.1176 -8.5837 -8.5837 -8.0829 -8.0829 -7.9550 -7.9550 -7.6846 -7.6846 -7.4971 -7.4971 -2.5199 -2.5199 2.4856 2.4856 3.0355 3.0355 3.4728 3.4728 6.7498 6.7498 7.6620 7.6620 7.7050 7.7050 10.5596 10.5596 11.5561 11.5561 12.3444 12.3444 13.1865 13.1865 k = 0.5000-0.7426-0.6664 ( 3254 PWs) bands (ev): -26.0558 -26.0558 -26.0302 -26.0302 -9.1909 -9.1909 -9.1169 -9.1169 -8.5826 -8.5826 -8.0867 -8.0867 -7.9551 -7.9551 -7.6920 -7.6920 -7.4940 -7.4940 -2.5173 -2.5173 2.4932 2.4932 3.0342 3.0342 3.4497 3.4497 6.7709 6.7709 7.6581 7.6581 7.7027 7.7027 10.5952 10.5952 11.6007 11.6007 12.3094 12.3094 13.1421 13.1421 k = 0.5000-0.7306-0.6862 ( 3258 PWs) bands (ev): -26.0553 -26.0553 -26.0303 -26.0303 -9.1896 -9.1896 -9.1162 -9.1162 -8.5813 -8.5813 -8.0908 -8.0908 -7.9552 -7.9552 -7.6998 -7.6998 -7.4912 -7.4912 -2.5145 -2.5145 2.5018 2.5018 3.0329 3.0329 3.4243 3.4243 6.7943 6.7943 7.6530 7.6530 7.7005 7.7005 10.6354 10.6354 11.6498 11.6498 12.2715 12.2715 13.0530 13.0530 k = 0.5000-0.7186-0.7059 ( 3252 PWs) bands (ev): -26.0546 -26.0546 -26.0304 -26.0304 -9.1884 -9.1884 -9.1154 -9.1154 -8.5800 -8.5800 -8.0951 -8.0951 -7.9552 -7.9552 -7.7077 -7.7077 -7.4887 -7.4887 -2.5116 -2.5116 2.5115 2.5115 3.0316 3.0316 3.3968 3.3968 6.8197 6.8197 7.6466 7.6466 7.6985 7.6985 10.6799 10.6799 11.7027 11.7027 12.2313 12.2313 12.9622 12.9622 k = 0.5000-0.7066-0.7256 ( 3248 PWs) bands (ev): -26.0540 -26.0540 -26.0306 -26.0306 -9.1871 -9.1871 -9.1146 -9.1146 -8.5785 -8.5785 -8.0995 -8.0995 -7.9552 -7.9552 -7.7156 -7.7156 -7.4865 -7.4865 -2.5085 -2.5085 2.5221 2.5221 3.0304 3.0304 3.3675 3.3675 6.8470 6.8470 7.6387 7.6387 7.6968 7.6968 10.7288 10.7288 11.7587 11.7587 12.1893 12.1893 12.8719 12.8719 k = 0.5000-0.6947-0.7454 ( 3254 PWs) bands (ev): -26.0533 -26.0533 -26.0308 -26.0308 -9.1858 -9.1858 -9.1139 -9.1139 -8.5770 -8.5770 -8.1039 -8.1039 -7.9551 -7.9551 -7.7235 -7.7235 -7.4848 -7.4848 -2.5054 -2.5054 2.5338 2.5338 3.0292 3.0292 3.3367 3.3367 6.8759 6.8759 7.6293 7.6293 7.6954 7.6954 10.7819 10.7819 11.8172 11.8172 12.1459 12.1459 12.7826 12.7826 k = 0.5000-0.6827-0.7651 ( 3256 PWs) bands (ev): -26.0525 -26.0525 -26.0311 -26.0311 -9.1846 -9.1846 -9.1132 -9.1132 -8.5754 -8.5754 -8.1084 -8.1084 -7.9549 -7.9549 -7.7312 -7.7312 -7.4836 -7.4836 -2.5023 -2.5023 2.5464 2.5464 3.0280 3.0280 3.3046 3.3046 6.9062 6.9062 7.6184 7.6184 7.6942 7.6942 10.8389 10.8389 11.8774 11.8774 12.1016 12.1016 12.6948 12.6948 k = 0.5000-0.6707-0.7849 ( 3260 PWs) bands (ev): -26.0517 -26.0517 -26.0313 -26.0313 -9.1834 -9.1834 -9.1125 -9.1125 -8.5738 -8.5738 -8.1127 -8.1127 -7.9545 -7.9545 -7.7387 -7.7387 -7.4829 -7.4829 -2.4992 -2.4992 2.5600 2.5600 3.0270 3.0270 3.2716 3.2716 6.9375 6.9375 7.6060 7.6060 7.6932 7.6932 10.8998 10.8998 11.9383 11.9383 12.0569 12.0569 12.6088 12.6088 k = 0.5000-0.6588-0.8046 ( 3262 PWs) bands (ev): -26.0508 -26.0508 -26.0316 -26.0316 -9.1824 -9.1824 -9.1120 -9.1120 -8.5721 -8.5721 -8.1168 -8.1168 -7.9539 -7.9539 -7.7459 -7.7459 -7.4827 -7.4827 -2.4961 -2.4961 2.5745 2.5745 3.0260 3.0260 3.2379 3.2379 6.9697 6.9697 7.5921 7.5921 7.6924 7.6924 10.9642 10.9642 11.9935 11.9935 12.0177 12.0177 12.5249 12.5249 k = 0.5000-0.6468-0.8243 ( 3262 PWs) bands (ev): -26.0499 -26.0499 -26.0320 -26.0320 -9.1816 -9.1816 -9.1115 -9.1115 -8.5703 -8.5703 -8.1206 -8.1206 -7.9530 -7.9530 -7.7528 -7.7528 -7.4831 -7.4831 -2.4933 -2.4933 2.5900 2.5900 3.0250 3.0250 3.2040 3.2040 7.0025 7.0025 7.5768 7.5768 7.6918 7.6918 11.0318 11.0318 11.9630 11.9630 12.0633 12.0633 12.4433 12.4433 k = 0.5000-0.6348-0.8441 ( 3258 PWs) bands (ev): -26.0490 -26.0490 -26.0323 -26.0323 -9.1809 -9.1809 -9.1111 -9.1111 -8.5685 -8.5685 -8.1242 -8.1242 -7.9518 -7.9518 -7.7594 -7.7594 -7.4841 -7.4841 -2.4905 -2.4905 2.6064 2.6064 3.0238 3.0238 3.1702 3.1702 7.0355 7.0355 7.5600 7.5600 7.6914 7.6914 11.1022 11.1022 11.9177 11.9177 12.1225 12.1225 12.3646 12.3646 k = 0.5000-0.6228-0.8638 ( 3254 PWs) bands (ev): -26.0481 -26.0481 -26.0328 -26.0328 -9.1804 -9.1804 -9.1108 -9.1108 -8.5667 -8.5667 -8.1274 -8.1274 -7.9503 -7.9503 -7.7655 -7.7655 -7.4856 -7.4856 -2.4880 -2.4880 2.6238 2.6238 3.0222 3.0222 3.1371 3.1371 7.0685 7.0685 7.5420 7.5420 7.6911 7.6911 11.1748 11.1748 11.8718 11.8718 12.1801 12.1801 12.2892 12.2892 k = 0.5000-0.6109-0.8835 ( 3264 PWs) bands (ev): -26.0471 -26.0471 -26.0332 -26.0332 -9.1802 -9.1802 -9.1107 -9.1107 -8.5648 -8.5648 -8.1301 -8.1301 -7.9484 -7.9484 -7.7712 -7.7712 -7.4878 -7.4878 -2.4857 -2.4857 2.6420 2.6420 3.0192 3.0192 3.1058 3.1058 7.1012 7.1012 7.5228 7.5228 7.6910 7.6910 11.2487 11.2487 11.8258 11.8258 12.2179 12.2179 12.2354 12.2354 k = 0.5000-0.5989-0.9033 ( 3258 PWs) bands (ev): -26.0461 -26.0461 -26.0337 -26.0337 -9.1802 -9.1802 -9.1106 -9.1106 -8.5629 -8.5629 -8.1324 -8.1324 -7.9461 -7.9461 -7.7765 -7.7765 -7.4904 -7.4904 -2.4837 -2.4837 2.6610 2.6610 3.0129 3.0129 3.0785 3.0785 7.1333 7.1333 7.5025 7.5025 7.6911 7.6911 11.3226 11.3226 11.7797 11.7797 12.1521 12.1521 12.2877 12.2877 k = 0.5000-0.5869-0.9230 ( 3264 PWs) bands (ev): -26.0451 -26.0451 -26.0343 -26.0343 -9.1806 -9.1806 -9.1107 -9.1107 -8.5609 -8.5609 -8.1341 -8.1341 -7.9433 -7.9433 -7.7813 -7.7813 -7.4937 -7.4937 -2.4820 -2.4820 2.6808 2.6808 2.9995 2.9995 3.0593 3.0593 7.1646 7.1646 7.4813 7.4813 7.6914 7.6914 11.3943 11.3943 11.7333 11.7333 12.0937 12.0937 12.3369 12.3369 k = 0.5000-0.5750-0.9428 ( 3268 PWs) bands (ev): -26.0441 -26.0441 -26.0349 -26.0349 -9.1812 -9.1812 -9.1109 -9.1109 -8.5589 -8.5589 -8.1353 -8.1353 -7.9400 -7.9400 -7.7856 -7.7856 -7.4975 -7.4975 -2.4805 -2.4805 2.7013 2.7013 2.9777 2.9777 3.0497 3.0497 7.1947 7.1947 7.4592 7.4592 7.6919 7.6919 11.4601 11.4601 11.6867 11.6867 12.0462 12.0462 12.3827 12.3827 k = 0.5000-0.5630-0.9625 ( 3270 PWs) bands (ev): -26.0431 -26.0431 -26.0356 -26.0356 -9.1821 -9.1821 -9.1111 -9.1111 -8.5569 -8.5569 -8.1360 -8.1360 -7.9363 -7.9363 -7.7893 -7.7893 -7.5018 -7.5018 -2.4794 -2.4794 2.7223 2.7223 2.9514 2.9514 3.0460 3.0460 7.2235 7.2235 7.4366 7.4366 7.6926 7.6926 11.5138 11.5138 11.6397 11.6397 12.0156 12.0156 12.4252 12.4252 k = 0.5000-0.5510-0.9822 ( 3270 PWs) bands (ev): -26.0421 -26.0421 -26.0363 -26.0363 -9.1834 -9.1834 -9.1114 -9.1114 -8.5549 -8.5549 -8.1361 -8.1361 -7.9320 -7.9320 -7.7925 -7.7925 -7.5066 -7.5066 -2.4786 -2.4786 2.7436 2.7436 2.9243 2.9243 3.0449 3.0449 7.2507 7.2507 7.4136 7.4136 7.6935 7.6935 11.5469 11.5469 11.5924 11.5924 12.0098 12.0098 12.4646 12.4646 k = 0.5000-0.5390-1.0020 ( 3272 PWs) bands (ev): -26.0411 -26.0411 -26.0371 -26.0371 -9.1850 -9.1850 -9.1118 -9.1118 -8.5528 -8.5528 -8.1357 -8.1357 -7.9273 -7.9273 -7.7952 -7.7952 -7.5118 -7.5118 -2.4781 -2.4781 2.7647 2.7647 2.8984 2.8984 3.0450 3.0450 7.2760 7.2760 7.3905 7.3905 7.6947 7.6947 11.5413 11.5413 11.5577 11.5577 12.0341 12.0341 12.5009 12.5009 k = 0.5000-0.5271-1.0217 ( 3270 PWs) bands (ev): -26.0402 -26.0402 -26.0379 -26.0379 -9.1868 -9.1868 -9.1121 -9.1121 -8.5507 -8.5507 -8.1347 -8.1347 -7.9223 -7.9223 -7.7971 -7.7971 -7.5175 -7.5175 -2.4779 -2.4779 2.7838 2.7838 2.8760 2.8760 3.0457 3.0457 7.2985 7.2985 7.3682 7.3682 7.6961 7.6961 11.4938 11.4938 11.5412 11.5412 12.0853 12.0853 12.5346 12.5346 k = 0.5000-0.5151-1.0414 ( 3260 PWs) bands (ev): -26.0392 -26.0392 -26.0389 -26.0389 -9.1889 -9.1889 -9.1125 -9.1125 -8.5485 -8.5485 -8.1332 -8.1332 -7.9168 -7.9168 -7.7984 -7.7984 -7.5236 -7.5236 -2.4780 -2.4780 2.7961 2.7961 2.8624 2.8624 3.0467 3.0467 7.3150 7.3150 7.3501 7.3501 7.6976 7.6976 11.4443 11.4443 11.5112 11.5112 12.1551 12.1551 12.5658 12.5658 k = 0.5000-0.5031-1.0612 ( 3266 PWs) bands (ev): -26.0398 -26.0398 -26.0382 -26.0382 -9.1913 -9.1913 -9.1129 -9.1129 -8.5464 -8.5464 -8.1311 -8.1311 -7.9111 -7.9111 -7.7989 -7.7989 -7.5300 -7.5300 -2.4784 -2.4784 2.7930 2.7930 2.8663 2.8663 3.0479 3.0479 7.3102 7.3102 7.3515 7.3515 7.6994 7.6994 11.3939 11.3939 11.4736 11.4736 12.2361 12.2361 12.5947 12.5947 k = 0.5000-0.4911-1.0809 ( 3260 PWs) bands (ev): -26.0409 -26.0409 -26.0373 -26.0373 -9.1939 -9.1939 -9.1132 -9.1132 -8.5443 -8.5443 -8.1286 -8.1286 -7.9053 -7.9053 -7.7984 -7.7984 -7.5367 -7.5367 -2.4791 -2.4791 2.7785 2.7785 2.8836 2.8836 3.0492 3.0492 7.2908 7.2908 7.3660 7.3660 7.7012 7.7012 11.3429 11.3429 11.4325 11.4325 12.3234 12.3234 12.6215 12.6215 k = 0.5000-0.4792-1.1007 ( 3264 PWs) bands (ev): -26.0420 -26.0420 -26.0364 -26.0364 -9.1967 -9.1967 -9.1134 -9.1134 -8.5421 -8.5421 -8.1256 -8.1256 -7.8995 -7.8995 -7.7969 -7.7969 -7.5436 -7.5436 -2.4801 -2.4801 2.7612 2.7612 2.9061 2.9061 3.0507 3.0507 7.2695 7.2695 7.3811 7.3811 7.7032 7.7032 11.2915 11.2915 11.3906 11.3906 12.4142 12.4142 12.6461 12.6461 k = 0.8160-0.3921-0.9335 ( 3264 PWs) bands (ev): -26.0420 -26.0420 -26.0364 -26.0364 -9.1967 -9.1967 -9.1134 -9.1134 -8.5421 -8.5421 -8.1256 -8.1256 -7.8995 -7.8995 -7.7969 -7.7969 -7.5436 -7.5436 -2.4801 -2.4801 2.7612 2.7612 2.9061 2.9061 3.0507 3.0507 7.2695 7.2695 7.3811 7.3811 7.7032 7.7032 11.2915 11.2915 11.3906 11.3906 12.4142 12.4142 12.6461 12.6461 k = 0.8099-0.3819-0.9139 ( 3260 PWs) bands (ev): -26.0432 -26.0432 -26.0356 -26.0356 -9.1996 -9.1996 -9.1135 -9.1135 -8.5401 -8.5401 -8.1223 -8.1223 -7.8939 -7.8939 -7.7943 -7.7943 -7.5507 -7.5507 -2.4813 -2.4813 2.7443 2.7443 2.9300 2.9300 3.0523 3.0523 7.2487 7.2487 7.3946 7.3946 7.7051 7.7051 11.2402 11.2402 11.3495 11.3495 12.5054 12.5054 12.6683 12.6683 k = 0.8039-0.3717-0.8944 ( 3264 PWs) bands (ev): -26.0444 -26.0444 -26.0347 -26.0347 -9.2026 -9.2026 -9.1135 -9.1135 -8.5381 -8.5381 -8.1186 -8.1186 -7.8886 -7.8886 -7.7905 -7.7905 -7.5578 -7.5578 -2.4827 -2.4827 2.7287 2.7287 2.9542 2.9542 3.0543 3.0543 7.2286 7.2286 7.4065 7.4065 7.7070 7.7070 11.1889 11.1889 11.3098 11.3098 12.5964 12.5964 12.6883 12.6883 k = 0.7978-0.3615-0.8748 ( 3260 PWs) bands (ev): -26.0457 -26.0457 -26.0340 -26.0340 -9.2057 -9.2057 -9.1133 -9.1133 -8.5361 -8.5361 -8.1146 -8.1146 -7.8836 -7.8836 -7.7854 -7.7854 -7.5651 -7.5651 -2.4843 -2.4843 2.7148 2.7148 2.9775 2.9775 3.0576 3.0576 7.2097 7.2097 7.4166 7.4166 7.7086 7.7086 11.1377 11.1377 11.2719 11.2719 12.6834 12.6834 12.7081 12.7081 k = 0.7917-0.3513-0.8553 ( 3260 PWs) bands (ev): -26.0471 -26.0471 -26.0332 -26.0332 -9.2087 -9.2087 -9.1130 -9.1130 -8.5343 -8.5343 -8.1104 -8.1104 -7.8791 -7.8791 -7.7790 -7.7790 -7.5723 -7.5723 -2.4862 -2.4862 2.7030 2.7030 2.9981 2.9981 3.0637 3.0637 7.1920 7.1920 7.4250 7.4250 7.7101 7.7101 11.0870 11.0870 11.2364 11.2364 12.7159 12.7159 12.7768 12.7768 k = 0.7856-0.3411-0.8357 ( 3252 PWs) bands (ev): -26.0485 -26.0485 -26.0325 -26.0325 -9.2118 -9.2118 -9.1124 -9.1124 -8.5326 -8.5326 -8.1060 -8.1060 -7.8750 -7.8750 -7.7713 -7.7713 -7.5794 -7.5794 -2.4882 -2.4882 2.6933 2.6933 3.0130 3.0130 3.0753 3.0753 7.1759 7.1759 7.4318 7.4318 7.7112 7.7112 11.0371 11.0371 11.2034 11.2034 12.7261 12.7261 12.8604 12.8604 k = 0.7796-0.3310-0.8161 ( 3256 PWs) bands (ev): -26.0500 -26.0500 -26.0319 -26.0319 -9.2148 -9.2148 -9.1117 -9.1117 -8.5310 -8.5310 -8.1015 -8.1015 -7.8713 -7.8713 -7.7626 -7.7626 -7.5863 -7.5863 -2.4903 -2.4903 2.6858 2.6858 3.0207 3.0207 3.0937 3.0937 7.1614 7.1614 7.4370 7.4370 7.7119 7.7119 10.9881 10.9881 11.1732 11.1732 12.7315 12.7315 12.9401 12.9401 k = 0.7735-0.3208-0.7966 ( 3254 PWs) bands (ev): -26.0516 -26.0516 -26.0312 -26.0312 -9.2176 -9.2176 -9.1107 -9.1107 -8.5295 -8.5295 -8.0969 -8.0969 -7.8678 -7.8678 -7.7529 -7.7529 -7.5929 -7.5929 -2.4926 -2.4926 2.6806 2.6806 3.0232 3.0232 3.1169 3.1169 7.1486 7.1486 7.4407 7.4407 7.7122 7.7122 10.9406 10.9406 11.1459 11.1459 12.7319 12.7319 13.0140 13.0140 k = 0.7674-0.3106-0.7770 ( 3254 PWs) bands (ev): -26.0533 -26.0533 -26.0307 -26.0307 -9.2204 -9.2204 -9.1095 -9.1095 -8.5282 -8.5282 -8.0924 -8.0924 -7.8645 -7.8645 -7.7425 -7.7425 -7.5990 -7.5990 -2.4950 -2.4950 2.6777 2.6777 3.0226 3.0226 3.1426 3.1426 7.1378 7.1378 7.4428 7.4428 7.7119 7.7119 10.8946 10.8946 11.1215 11.1215 12.7269 12.7269 13.0811 13.0811 k = 0.7613-0.3004-0.7575 ( 3254 PWs) bands (ev): -26.0550 -26.0550 -26.0302 -26.0302 -9.2230 -9.2230 -9.1081 -9.1081 -8.5270 -8.5270 -8.0879 -8.0879 -7.8611 -7.8611 -7.7317 -7.7317 -7.6044 -7.6044 -2.4976 -2.4976 2.6771 2.6771 3.0201 3.0201 3.1696 3.1696 7.1288 7.1288 7.4433 7.4433 7.7112 7.7112 10.8507 10.8507 11.1003 11.1003 12.7164 12.7164 13.1399 13.1399 k = 0.7552-0.2902-0.7379 ( 3252 PWs) bands (ev): -26.0568 -26.0568 -26.0297 -26.0297 -9.2253 -9.2253 -9.1064 -9.1064 -8.5260 -8.5260 -8.0835 -8.0835 -7.8577 -7.8577 -7.7208 -7.7208 -7.6090 -7.6090 -2.5002 -2.5002 2.6790 2.6790 3.0163 3.0163 3.1971 3.1971 7.1219 7.1219 7.4424 7.4424 7.7099 7.7099 10.8090 10.8090 11.0823 11.0823 12.7002 12.7002 13.1892 13.1892 k = 0.7492-0.2800-0.7183 ( 3248 PWs) bands (ev): -26.0586 -26.0586 -26.0293 -26.0293 -9.2275 -9.2275 -9.1045 -9.1045 -8.5252 -8.5252 -8.0793 -8.0793 -7.8541 -7.8541 -7.7102 -7.7102 -7.6123 -7.6123 -2.5030 -2.5030 2.6832 2.6832 3.0115 3.0115 3.2249 3.2249 7.1170 7.1170 7.4398 7.4398 7.7081 7.7081 10.7698 10.7698 11.0676 11.0676 12.6782 12.6782 13.2277 13.2277 k = 0.7431-0.2698-0.6988 ( 3248 PWs) bands (ev): -26.0605 -26.0605 -26.0290 -26.0290 -9.2295 -9.2295 -9.1024 -9.1024 -8.5245 -8.5245 -8.0754 -8.0754 -7.8503 -7.8503 -7.7006 -7.7006 -7.6138 -7.6138 -2.5059 -2.5059 2.6898 2.6898 3.0058 3.0058 3.2527 3.2527 7.1142 7.1142 7.4356 7.4356 7.7057 7.7057 10.7334 10.7334 11.0562 11.0562 12.6508 12.6508 13.2543 13.2543 k = 0.7370-0.2596-0.6792 ( 3242 PWs) bands (ev): -26.0624 -26.0624 -26.0287 -26.0287 -9.2312 -9.2312 -9.1001 -9.1001 -8.5239 -8.5239 -8.0717 -8.0717 -7.8461 -7.8461 -7.6925 -7.6925 -7.6129 -7.6129 -2.5089 -2.5089 2.6988 2.6988 2.9993 2.9993 3.2805 3.2805 7.1135 7.1135 7.4296 7.4296 7.7030 7.7030 10.7001 10.7001 11.0482 11.0482 12.6182 12.6182 13.2680 13.2680 k = 0.7309-0.2494-0.6597 ( 3240 PWs) bands (ev): -26.0644 -26.0644 -26.0285 -26.0285 -9.2326 -9.2326 -9.0976 -9.0976 -8.5235 -8.5235 -8.0683 -8.0683 -7.8416 -7.8416 -7.6865 -7.6865 -7.6091 -7.6091 -2.5120 -2.5120 2.7101 2.7101 2.9921 2.9921 3.3080 3.3080 7.1148 7.1148 7.4218 7.4218 7.6998 7.6998 10.6701 10.6701 11.0436 11.0436 12.5809 12.5809 13.2685 13.2685 k = 0.7249-0.2392-0.6401 ( 3240 PWs) bands (ev): -26.0664 -26.0664 -26.0283 -26.0283 -9.2338 -9.2338 -9.0950 -9.0950 -8.5232 -8.5232 -8.0653 -8.0653 -7.8367 -7.8367 -7.6829 -7.6829 -7.6022 -7.6022 -2.5152 -2.5152 2.7237 2.7237 2.9843 2.9843 3.3353 3.3353 7.1181 7.1181 7.4120 7.4120 7.6962 7.6962 10.6436 10.6436 11.0424 11.0424 12.5396 12.5396 13.2563 13.2563 k = 0.7188-0.2291-0.6206 ( 3250 PWs) bands (ev): -26.0685 -26.0685 -26.0282 -26.0282 -9.2348 -9.2348 -9.0923 -9.0923 -8.5229 -8.5229 -8.0626 -8.0626 -7.8314 -7.8314 -7.6813 -7.6813 -7.5927 -7.5927 -2.5186 -2.5186 2.7395 2.7395 2.9761 2.9761 3.3622 3.3622 7.1233 7.1233 7.4001 7.4001 7.6924 7.6924 10.6208 10.6208 11.0447 11.0447 12.4947 12.4947 13.2329 13.2329 k = 0.7127-0.2189-0.6010 ( 3246 PWs) bands (ev): -26.0707 -26.0707 -26.0282 -26.0282 -9.2354 -9.2354 -9.0895 -9.0895 -8.5226 -8.5226 -8.0602 -8.0602 -7.8256 -7.8256 -7.6809 -7.6809 -7.5812 -7.5812 -2.5222 -2.5222 2.7576 2.7576 2.9676 2.9676 3.3887 3.3887 7.1304 7.1304 7.3860 7.3860 7.6883 7.6883 10.6018 10.6018 11.0504 11.0504 12.4469 12.4469 13.2004 13.2004 k = 0.7066-0.2087-0.5814 ( 3250 PWs) bands (ev): -26.0728 -26.0728 -26.0281 -26.0281 -9.2359 -9.2359 -9.0867 -9.0867 -8.5224 -8.5224 -8.0582 -8.0582 -7.8195 -7.8195 -7.6813 -7.6813 -7.5685 -7.5685 -2.5259 -2.5259 2.7776 2.7776 2.9589 2.9589 3.4147 3.4147 7.1391 7.1391 7.3697 7.3697 7.6841 7.6841 10.5868 10.5868 11.0596 11.0596 12.3970 12.3970 13.1610 13.1610 k = 0.7006-0.1985-0.5619 ( 3242 PWs) bands (ev): -26.0750 -26.0750 -26.0282 -26.0282 -9.2361 -9.2361 -9.0839 -9.0839 -8.5221 -8.5221 -8.0565 -8.0565 -7.8129 -7.8129 -7.6819 -7.6819 -7.5548 -7.5548 -2.5298 -2.5298 2.7995 2.7995 2.9502 2.9502 3.4401 3.4401 7.1494 7.1494 7.3512 7.3512 7.6797 7.6797 10.5759 10.5759 11.0722 11.0722 12.3455 12.3455 13.1166 13.1166 k = 0.6945-0.1883-0.5423 ( 3234 PWs) bands (ev): -26.0772 -26.0772 -26.0283 -26.0283 -9.2361 -9.2361 -9.0812 -9.0812 -8.5217 -8.5217 -8.0551 -8.0551 -7.8060 -7.8060 -7.6825 -7.6825 -7.5407 -7.5407 -2.5339 -2.5339 2.8229 2.8229 2.9420 2.9420 3.4650 3.4650 7.1612 7.1612 7.3303 7.3303 7.6752 7.6752 10.5690 10.5690 11.0883 11.0883 12.2931 12.2931 13.0686 13.0686 k = 0.6884-0.1781-0.5228 ( 3238 PWs) bands (ev): -26.0794 -26.0794 -26.0284 -26.0284 -9.2359 -9.2359 -9.0786 -9.0786 -8.5212 -8.5212 -8.0540 -8.0540 -7.7987 -7.7987 -7.6829 -7.6829 -7.5263 -7.5263 -2.5382 -2.5382 2.8469 2.8469 2.9351 2.9351 3.4892 3.4892 7.1741 7.1741 7.3071 7.3071 7.6705 7.6705 10.5663 10.5663 11.1077 11.1077 12.2404 12.2404 13.0179 13.0179 k = 0.6823-0.1679-0.5032 ( 3242 PWs) bands (ev): -26.0817 -26.0817 -26.0286 -26.0286 -9.2355 -9.2355 -9.0762 -9.0762 -8.5205 -8.5205 -8.0530 -8.0530 -7.7911 -7.7911 -7.6830 -7.6830 -7.5118 -7.5118 -2.5427 -2.5427 2.8689 2.8689 2.9323 2.9323 3.5127 3.5127 7.1880 7.1880 7.2819 7.2819 7.6657 7.6657 10.5676 10.5676 11.1305 11.1305 12.1879 12.1879 12.9654 12.9654 k = 0.6762-0.1577-0.4836 ( 3244 PWs) bands (ev): -26.0839 -26.0839 -26.0288 -26.0288 -9.2350 -9.2350 -9.0740 -9.0740 -8.5195 -8.5195 -8.0523 -8.0523 -7.7833 -7.7833 -7.6827 -7.6827 -7.4972 -7.4972 -2.5476 -2.5476 2.8823 2.8823 2.9399 2.9399 3.5356 3.5356 7.2021 7.2021 7.2552 7.2552 7.6607 7.6607 10.5730 10.5730 11.1565 11.1565 12.1361 12.1361 12.9117 12.9117 k = 0.6702-0.1475-0.4641 ( 3252 PWs) bands (ev): -26.0862 -26.0862 -26.0291 -26.0291 -9.2343 -9.2343 -9.0720 -9.0720 -8.5184 -8.5184 -8.0517 -8.0517 -7.7753 -7.7753 -7.6820 -7.6820 -7.4827 -7.4827 -2.5526 -2.5526 2.8836 2.8836 2.9617 2.9617 3.5577 3.5577 7.2102 7.2102 7.2333 7.2333 7.6556 7.6556 10.5823 10.5823 11.1857 11.1857 12.0855 12.0855 12.8574 12.8574 k = 0.6641-0.1373-0.4445 ( 3256 PWs) bands (ev): -26.0884 -26.0884 -26.0294 -26.0294 -9.2335 -9.2335 -9.0703 -9.0703 -8.5169 -8.5169 -8.0512 -8.0512 -7.7671 -7.7671 -7.6808 -7.6808 -7.4684 -7.4684 -2.5580 -2.5580 2.8787 2.8787 2.9915 2.9915 3.5791 3.5791 7.1880 7.1880 7.2402 7.2402 7.6502 7.6502 10.5953 10.5953 11.2179 11.2179 12.0366 12.0366 12.8028 12.8028 k = 0.6580-0.1272-0.4250 ( 3262 PWs) bands (ev): -26.0907 -26.0907 -26.0297 -26.0297 -9.2326 -9.2326 -9.0689 -9.0689 -8.5151 -8.5151 -8.0508 -8.0508 -7.7588 -7.7588 -7.6792 -7.6792 -7.4543 -7.4543 -2.5637 -2.5637 2.8719 2.8719 3.0252 3.0252 3.5997 3.5997 7.1556 7.1556 7.2560 7.2560 7.6446 7.6446 10.6118 10.6118 11.2531 11.2531 11.9896 11.9896 12.7484 12.7484 k = 0.6519-0.1170-0.4054 ( 3258 PWs) bands (ev): -26.0929 -26.0929 -26.0301 -26.0301 -9.2316 -9.2316 -9.0679 -9.0679 -8.5130 -8.5130 -8.0504 -8.0504 -7.7505 -7.7505 -7.6770 -7.6770 -7.4404 -7.4404 -2.5696 -2.5696 2.8646 2.8646 3.0613 3.0613 3.6195 3.6195 7.1206 7.1206 7.2729 7.2729 7.6387 7.6387 10.6315 10.6315 11.2910 11.2910 11.9449 11.9449 12.6946 12.6946 k = 0.6459-0.1068-0.3858 ( 3258 PWs) bands (ev): -26.0951 -26.0951 -26.0305 -26.0305 -9.2306 -9.2306 -9.0672 -9.0672 -8.5105 -8.5105 -8.0501 -8.0501 -7.7423 -7.7423 -7.6742 -7.6742 -7.4269 -7.4269 -2.5758 -2.5758 2.8574 2.8574 3.0990 3.0990 3.6386 3.6386 7.0840 7.0840 7.2900 7.2900 7.6325 7.6325 10.6541 10.6541 11.3315 11.3315 11.9030 11.9030 12.6416 12.6416 k = 0.6398-0.0966-0.3663 ( 3256 PWs) bands (ev): -26.0973 -26.0973 -26.0309 -26.0309 -9.2295 -9.2295 -9.0669 -9.0669 -8.5077 -8.5077 -8.0497 -8.0497 -7.7343 -7.7343 -7.6708 -7.6708 -7.4137 -7.4137 -2.5823 -2.5823 2.8505 2.8505 3.1381 3.1381 3.6569 3.6569 7.0461 7.0461 7.3072 7.3072 7.6260 7.6260 10.6792 10.6792 11.3742 11.3742 11.8640 11.8640 12.5899 12.5899 k = 0.6337-0.0864-0.3467 ( 3254 PWs) bands (ev): -26.0994 -26.0994 -26.0313 -26.0313 -9.2285 -9.2285 -9.0669 -9.0669 -8.5046 -8.5046 -8.0493 -8.0493 -7.7265 -7.7265 -7.6669 -7.6669 -7.4008 -7.4008 -2.5891 -2.5891 2.8440 2.8440 3.1784 3.1784 3.6743 3.6743 7.0071 7.0071 7.3240 7.3240 7.6192 7.6192 10.7063 10.7063 11.4189 11.4189 11.8284 11.8284 12.5398 12.5398 k = 0.6276-0.0762-0.3272 ( 3252 PWs) bands (ev): -26.1015 -26.1015 -26.0318 -26.0318 -9.2274 -9.2274 -9.0673 -9.0673 -8.5011 -8.5011 -8.0488 -8.0488 -7.7190 -7.7190 -7.6623 -7.6623 -7.3884 -7.3884 -2.5962 -2.5962 2.8380 2.8380 3.2194 3.2194 3.6910 3.6910 6.9673 6.9673 7.3405 7.3405 7.6121 7.6121 10.7347 10.7347 11.4652 11.4652 11.7966 11.7966 12.4919 12.4919 k = 0.6215-0.0660-0.3076 ( 3250 PWs) bands (ev): -26.1036 -26.1036 -26.0322 -26.0322 -9.2264 -9.2264 -9.0680 -9.0680 -8.4974 -8.4974 -8.0483 -8.0483 -7.7120 -7.7120 -7.6570 -7.6570 -7.3764 -7.3764 -2.6034 -2.6034 2.8326 2.8326 3.2612 3.2612 3.7069 3.7069 6.9270 6.9270 7.3564 7.3564 7.6047 7.6047 10.7637 10.7637 11.5125 11.5125 11.7689 11.7689 12.4466 12.4466 k = 0.6155-0.0558-0.2880 ( 3252 PWs) bands (ev): -26.1056 -26.1056 -26.0327 -26.0327 -9.2255 -9.2255 -9.0690 -9.0690 -8.4935 -8.4935 -8.0478 -8.0478 -7.7055 -7.7055 -7.6511 -7.6511 -7.3648 -7.3648 -2.6109 -2.6109 2.8279 2.8279 3.3033 3.3033 3.7221 3.7221 6.8864 6.8864 7.3716 7.3716 7.5971 7.5971 10.7926 10.7926 11.5600 11.5600 11.7460 11.7460 12.4048 12.4048 k = 0.6094-0.0456-0.2685 ( 3234 PWs) bands (ev): -26.1075 -26.1075 -26.0332 -26.0332 -9.2246 -9.2246 -9.0702 -9.0702 -8.4893 -8.4893 -8.0471 -8.0471 -7.6995 -7.6995 -7.6447 -7.6447 -7.3537 -7.3537 -2.6185 -2.6185 2.8237 2.8237 3.3456 3.3456 3.7365 3.7365 6.8458 6.8458 7.3859 7.3859 7.5893 7.5893 10.8202 10.8202 11.6067 11.6067 11.7284 11.7284 12.3675 12.3675 k = 0.6033-0.0354-0.2489 ( 3236 PWs) bands (ev): -26.1094 -26.1094 -26.0336 -26.0336 -9.2237 -9.2237 -9.0718 -9.0718 -8.4850 -8.4850 -8.0465 -8.0465 -7.6939 -7.6939 -7.6378 -7.6378 -7.3431 -7.3431 -2.6262 -2.6262 2.8202 2.8202 3.3879 3.3879 3.7501 3.7501 6.8054 6.8054 7.3993 7.3993 7.5814 7.5814 10.8456 10.8456 11.6512 11.6512 11.7171 11.7171 12.3359 12.3359 k = 0.5972-0.0253-0.2294 ( 3236 PWs) bands (ev): -26.1111 -26.1111 -26.0341 -26.0341 -9.2230 -9.2230 -9.0735 -9.0735 -8.4805 -8.4805 -8.0457 -8.0457 -7.6887 -7.6887 -7.6306 -7.6306 -7.3330 -7.3330 -2.6340 -2.6340 2.8173 2.8173 3.4299 3.4299 3.7630 3.7630 6.7655 6.7655 7.4118 7.4118 7.5733 7.5733 10.8677 10.8677 11.6908 11.6908 11.7134 11.7134 12.3120 12.3120 k = 0.5912-0.0151-0.2098 ( 3232 PWs) bands (ev): -26.1129 -26.1129 -26.0346 -26.0346 -9.2223 -9.2223 -9.0753 -9.0753 -8.4760 -8.4760 -8.0450 -8.0450 -7.6839 -7.6839 -7.6232 -7.6232 -7.3235 -7.3235 -2.6418 -2.6418 2.8150 2.8150 3.4712 3.4712 3.7752 3.7752 6.7264 6.7264 7.4232 7.4232 7.5652 7.5652 10.8855 10.8855 11.7124 11.7124 11.7291 11.7291 12.2978 12.2978 k = 0.5851-0.0049-0.1903 ( 3228 PWs) bands (ev): -26.1145 -26.1145 -26.0350 -26.0350 -9.2217 -9.2217 -9.0773 -9.0773 -8.4715 -8.4715 -8.0442 -8.0442 -7.6795 -7.6795 -7.6157 -7.6157 -7.3145 -7.3145 -2.6495 -2.6495 2.8132 2.8132 3.5117 3.5117 3.7868 3.7868 6.6882 6.6882 7.4335 7.4335 7.5572 7.5572 10.8982 10.8982 11.7243 11.7243 11.7540 11.7540 12.2956 12.2956 k = 0.5790 0.0053-0.1707 ( 3222 PWs) bands (ev): -26.1160 -26.1160 -26.0354 -26.0354 -9.2213 -9.2213 -9.0793 -9.0793 -8.4670 -8.4670 -8.0434 -8.0434 -7.6754 -7.6754 -7.6082 -7.6082 -7.3060 -7.3060 -2.6571 -2.6571 2.8119 2.8119 3.5510 3.5510 3.7977 3.7977 6.6513 6.6513 7.4428 7.4428 7.5492 7.5492 10.9054 10.9054 11.7433 11.7433 11.7701 11.7701 12.3067 12.3067 k = 0.5729 0.0155-0.1511 ( 3220 PWs) bands (ev): -26.1175 -26.1175 -26.0359 -26.0359 -9.2208 -9.2208 -9.0814 -9.0814 -8.4627 -8.4627 -8.0425 -8.0425 -7.6715 -7.6715 -7.6009 -7.6009 -7.2981 -7.2981 -2.6645 -2.6645 2.8110 2.8110 3.5888 3.5888 3.8081 3.8081 6.6159 6.6159 7.4509 7.4509 7.5415 7.5415 10.9073 10.9073 11.7671 11.7671 11.7791 11.7791 12.3308 12.3308 k = 0.5669 0.0257-0.1316 ( 3222 PWs) bands (ev): -26.1188 -26.1188 -26.0363 -26.0363 -9.2205 -9.2205 -9.0834 -9.0834 -8.4585 -8.4585 -8.0417 -8.0417 -7.6680 -7.6680 -7.5938 -7.5938 -7.2907 -7.2907 -2.6717 -2.6717 2.8106 2.8106 3.6247 3.6247 3.8179 3.8179 6.5822 6.5822 7.4581 7.4581 7.5340 7.5340 10.9043 10.9043 11.7706 11.7706 11.8071 11.8071 12.3657 12.3657 k = 0.5608 0.0359-0.1120 ( 3218 PWs) bands (ev): -26.1201 -26.1201 -26.0366 -26.0366 -9.2203 -9.2203 -9.0854 -9.0854 -8.4545 -8.4545 -8.0410 -8.0410 -7.6647 -7.6647 -7.5871 -7.5871 -7.2840 -7.2840 -2.6785 -2.6785 2.8104 2.8104 3.6585 3.6585 3.8273 3.8273 6.5505 6.5505 7.4642 7.4642 7.5269 7.5269 10.8972 10.8972 11.7619 11.7619 11.8476 11.8476 12.4077 12.4077 k = 0.5547 0.0461-0.0925 ( 3214 PWs) bands (ev): -26.1212 -26.1212 -26.0370 -26.0370 -9.2201 -9.2201 -9.0873 -9.0873 -8.4507 -8.4507 -8.0402 -8.0402 -7.6616 -7.6616 -7.5807 -7.5807 -7.2778 -7.2778 -2.6850 -2.6850 2.8105 2.8105 3.6896 3.6896 3.8364 3.8364 6.5210 6.5210 7.4694 7.4694 7.5203 7.5203 10.8871 10.8871 11.7489 11.7489 11.8938 11.8938 12.4524 12.4524 k = 0.5486 0.0563-0.0729 ( 3220 PWs) bands (ev): -26.1223 -26.1223 -26.0373 -26.0373 -9.2199 -9.2199 -9.0890 -9.0890 -8.4472 -8.4472 -8.0395 -8.0395 -7.6589 -7.6589 -7.5749 -7.5749 -7.2723 -7.2723 -2.6909 -2.6909 2.8108 2.8108 3.7177 3.7177 3.8452 3.8452 6.4939 6.4939 7.4737 7.4737 7.5142 7.5142 10.8749 10.8749 11.7338 11.7338 11.9445 11.9445 12.4940 12.4940 k = 0.5425 0.0665-0.0533 ( 3218 PWs) bands (ev): -26.1232 -26.1232 -26.0376 -26.0376 -9.2198 -9.2198 -9.0907 -9.0907 -8.4440 -8.4440 -8.0388 -8.0388 -7.6564 -7.6564 -7.5696 -7.5696 -7.2674 -7.2674 -2.6964 -2.6964 2.8113 2.8113 3.7424 3.7424 3.8538 3.8538 6.4695 6.4695 7.4771 7.4771 7.5087 7.5087 10.8618 10.8618 11.7181 11.7181 11.9985 11.9985 12.5260 12.5260 k = 0.5365 0.0766-0.0338 ( 3220 PWs) bands (ev): -26.1240 -26.1240 -26.0378 -26.0378 -9.2198 -9.2198 -9.0921 -9.0921 -8.4412 -8.4412 -8.0382 -8.0382 -7.6542 -7.6542 -7.5649 -7.5649 -7.2631 -7.2631 -2.7012 -2.7012 2.8118 2.8118 3.7633 3.7633 3.8624 3.8624 6.4478 6.4478 7.4798 7.4798 7.5039 7.5039 10.8485 10.8485 11.7031 11.7031 12.0545 12.0545 12.5449 12.5449 k = 0.5304 0.0868-0.0142 ( 3222 PWs) bands (ev): -26.1247 -26.1247 -26.0380 -26.0380 -9.2198 -9.2198 -9.0934 -9.0934 -8.4388 -8.4388 -8.0377 -8.0377 -7.6523 -7.6523 -7.5608 -7.5608 -7.2595 -7.2595 -2.7054 -2.7054 2.8123 2.8123 3.7803 3.7803 3.8709 3.8709 6.4292 6.4292 7.4816 7.4816 7.5000 7.5000 10.8360 10.8360 11.6893 11.6893 12.1114 12.1114 12.5527 12.5527 k = 0.5243 0.0970 0.0053 ( 3222 PWs) bands (ev): -26.1252 -26.1252 -26.0382 -26.0382 -9.2198 -9.2198 -9.0944 -9.0944 -8.4368 -8.4368 -8.0373 -8.0373 -7.6508 -7.6508 -7.5575 -7.5575 -7.2565 -7.2565 -2.7089 -2.7089 2.8128 2.8128 3.7935 3.7935 3.8789 3.8789 6.4137 6.4137 7.4827 7.4827 7.4971 7.4971 10.8248 10.8248 11.6775 11.6775 12.1678 12.1678 12.5540 12.5540 k = 0.5182 0.1072 0.0249 ( 3222 PWs) bands (ev): -26.1257 -26.1257 -26.0384 -26.0384 -9.2198 -9.2198 -9.0953 -9.0953 -8.4352 -8.4352 -8.0370 -8.0370 -7.6496 -7.6496 -7.5548 -7.5548 -7.2542 -7.2542 -2.7117 -2.7117 2.8133 2.8133 3.8032 3.8032 3.8860 3.8860 6.4015 6.4015 7.4830 7.4830 7.4953 7.4953 10.8155 10.8155 11.6679 11.6679 12.2217 12.2217 12.5524 12.5524 k = 0.5122 0.1174 0.0445 ( 3222 PWs) bands (ev): -26.1260 -26.1260 -26.0385 -26.0385 -9.2198 -9.2198 -9.0959 -9.0959 -8.4340 -8.4340 -8.0367 -8.0367 -7.6487 -7.6487 -7.5529 -7.5529 -7.2525 -7.2525 -2.7137 -2.7137 2.8136 2.8136 3.8096 3.8096 3.8916 3.8916 6.3927 6.3927 7.4828 7.4828 7.4943 7.4943 10.8086 10.8086 11.6609 11.6609 12.2700 12.2700 12.5495 12.5495 k = 0.5061 0.1276 0.0640 ( 3226 PWs) bands (ev): -26.1262 -26.1262 -26.0385 -26.0385 -9.2198 -9.2198 -9.0962 -9.0962 -8.4333 -8.4333 -8.0366 -8.0366 -7.6482 -7.6482 -7.5517 -7.5517 -7.2515 -7.2515 -2.7149 -2.7149 2.8138 2.8138 3.8133 3.8133 3.8952 3.8952 6.3874 6.3874 7.4825 7.4825 7.4938 7.4938 10.8044 10.8044 11.6567 11.6567 12.3067 12.3067 12.5446 12.5446 k = 0.5000 0.1378 0.0836 ( 3226 PWs) bands (ev): -26.1263 -26.1263 -26.0385 -26.0385 -9.2198 -9.2198 -9.0964 -9.0964 -8.4331 -8.4331 -8.0365 -8.0365 -7.6480 -7.6480 -7.5513 -7.5513 -7.2511 -7.2511 -2.7153 -2.7153 2.8139 2.8139 3.8145 3.8145 3.8964 3.8964 6.3857 6.3857 7.4824 7.4824 7.4937 7.4937 10.8029 10.8029 11.6552 11.6552 12.3212 12.3212 12.5395 12.5395 k = 0.5000 0.1378 0.0836 ( 3226 PWs) bands (ev): -26.1263 -26.1263 -26.0385 -26.0385 -9.2198 -9.2198 -9.0964 -9.0964 -8.4331 -8.4331 -8.0365 -8.0365 -7.6480 -7.6480 -7.5513 -7.5513 -7.2511 -7.2511 -2.7153 -2.7153 2.8139 2.8139 3.8145 3.8145 3.8964 3.8964 6.3857 6.3857 7.4824 7.4824 7.4937 7.4937 10.8029 10.8029 11.6552 11.6552 12.3212 12.3212 12.5395 12.5395 k = 0.4783 0.1318 0.0799 ( 3226 PWs) bands (ev): -26.1263 -26.1263 -26.0385 -26.0385 -9.2240 -9.2240 -9.0918 -9.0918 -8.4334 -8.4334 -8.0358 -8.0358 -7.6480 -7.6480 -7.5513 -7.5513 -7.2522 -7.2522 -2.7151 -2.7151 2.8134 2.8134 3.8145 3.8145 3.8963 3.8963 6.3876 6.3876 7.4828 7.4828 7.4942 7.4942 10.8004 10.8004 11.6427 11.6427 12.3347 12.3347 12.5355 12.5356 k = 0.4565 0.1258 0.0763 ( 3226 PWs) bands (ev): -26.1263 -26.1263 -26.0385 -26.0385 -9.2351 -9.2351 -9.0796 -9.0796 -8.4341 -8.4341 -8.0336 -8.0336 -7.6480 -7.6480 -7.5513 -7.5513 -7.2552 -7.2552 -2.7144 -2.7144 2.8117 2.8117 3.8142 3.8142 3.8961 3.8961 6.3935 6.3935 7.4841 7.4841 7.4955 7.4955 10.7927 10.7927 11.6086 11.6086 12.3716 12.3716 12.5238 12.5238 k = 0.4348 0.1198 0.0727 ( 3232 PWs) bands (ev): -26.1264 -26.1264 -26.0384 -26.0384 -9.2502 -9.2502 -9.0625 -9.0625 -8.4354 -8.4354 -8.0300 -8.0300 -7.6480 -7.6480 -7.5513 -7.5513 -7.2602 -7.2602 -2.7132 -2.7132 2.8091 2.8091 3.8138 3.8138 3.8957 3.8957 6.4031 6.4031 7.4862 7.4862 7.4978 7.4978 10.7791 10.7791 11.5610 11.5610 12.4242 12.4242 12.5053 12.5053 k = 0.4130 0.1138 0.0690 ( 3220 PWs) bands (ev): -26.1264 -26.1264 -26.0384 -26.0384 -9.2674 -9.2674 -9.0427 -9.0427 -8.4372 -8.4372 -8.0249 -8.0249 -7.6480 -7.6480 -7.5513 -7.5513 -7.2672 -7.2672 -2.7116 -2.7116 2.8055 2.8055 3.8133 3.8133 3.8951 3.8951 6.4164 6.4164 7.4892 7.4892 7.5009 7.5009 10.7586 10.7586 11.5078 11.5078 12.4812 12.4812 12.4839 12.4839 k = 0.3913 0.1078 0.0654 ( 3232 PWs) bands (ev): -26.1265 -26.1265 -26.0383 -26.0383 -9.2853 -9.2853 -9.0215 -9.0215 -8.4394 -8.4394 -8.0183 -8.0183 -7.6480 -7.6480 -7.5513 -7.5513 -7.2761 -7.2761 -2.7096 -2.7096 2.8010 2.8010 3.8126 3.8126 3.8944 3.8944 6.4332 6.4332 7.4929 7.4929 7.5047 7.5047 10.7303 10.7303 11.4553 11.4553 12.4530 12.4530 12.4715 12.4715 k = 0.3696 0.1018 0.0618 ( 3232 PWs) bands (ev): -26.1267 -26.1267 -26.0381 -26.0381 -9.3035 -9.3035 -8.9994 -8.9994 -8.4421 -8.4421 -8.0104 -8.0104 -7.6480 -7.6480 -7.5513 -7.5513 -7.2868 -7.2868 -2.7072 -2.7072 2.7956 2.7956 3.8119 3.8119 3.8936 3.8936 6.4533 6.4533 7.4972 7.4972 7.5094 7.5094 10.6931 10.6931 11.4079 11.4079 12.4219 12.4219 12.4404 12.4404 k = 0.3478 0.0958 0.0581 ( 3226 PWs) bands (ev): -26.1268 -26.1268 -26.0380 -26.0380 -9.3213 -9.3213 -8.9770 -8.9770 -8.4453 -8.4453 -8.0010 -8.0010 -7.6480 -7.6480 -7.5513 -7.5513 -7.2994 -7.2994 -2.7044 -2.7044 2.7896 2.7896 3.8110 3.8110 3.8927 3.8927 6.4765 6.4765 7.5022 7.5022 7.5146 7.5146 10.6468 10.6468 11.3681 11.3681 12.3891 12.3891 12.4075 12.4075 k = 0.3261 0.0899 0.0545 ( 3220 PWs) bands (ev): -26.1269 -26.1269 -26.0378 -26.0378 -9.3387 -9.3387 -8.9545 -8.9545 -8.4488 -8.4488 -7.9903 -7.9903 -7.6480 -7.6480 -7.5513 -7.5513 -7.3136 -7.3136 -2.7015 -2.7015 2.7830 2.7830 3.8100 3.8100 3.8916 3.8916 6.5023 6.5023 7.5077 7.5077 7.5204 7.5204 10.5919 10.5919 11.3371 11.3371 12.3555 12.3555 12.3739 12.3739 k = 0.3043 0.0839 0.0509 ( 3226 PWs) bands (ev): -26.1271 -26.1271 -26.0377 -26.0377 -9.3553 -9.3553 -8.9323 -8.9323 -8.4526 -8.4526 -7.9781 -7.9781 -7.6481 -7.6481 -7.5513 -7.5513 -7.3295 -7.3295 -2.6982 -2.6982 2.7760 2.7760 3.8089 3.8089 3.8905 3.8905 6.5304 6.5304 7.5137 7.5137 7.5266 7.5266 10.5299 10.5299 11.3146 11.3146 12.3219 12.3219 12.3403 12.3403 k = 0.2826 0.0779 0.0472 ( 3232 PWs) bands (ev): -26.1273 -26.1273 -26.0375 -26.0375 -9.3712 -9.3712 -8.9105 -8.9105 -8.4568 -8.4568 -7.9647 -7.9647 -7.6481 -7.6481 -7.5512 -7.5512 -7.3469 -7.3469 -2.6949 -2.6949 2.7687 2.7687 3.8078 3.8078 3.8894 3.8894 6.5605 6.5605 7.5199 7.5199 7.5332 7.5332 10.4626 10.4626 11.2997 11.2997 12.2889 12.2889 12.3073 12.3073 k = 0.2609 0.0719 0.0436 ( 3235 PWs) bands (ev): -26.1274 -26.1274 -26.0374 -26.0374 -9.3862 -9.3862 -8.8892 -8.8892 -8.4613 -8.4613 -7.9499 -7.9499 -7.6481 -7.6481 -7.5512 -7.5512 -7.3657 -7.3657 -2.6914 -2.6914 2.7611 2.7611 3.8067 3.8067 3.8882 3.8882 6.5920 6.5920 7.5264 7.5264 7.5400 7.5400 10.3920 10.3920 11.2911 11.2911 12.2570 12.2570 12.2755 12.2755 k = 0.2391 0.0659 0.0400 ( 3232 PWs) bands (ev): -26.1276 -26.1276 -26.0372 -26.0372 -9.4001 -9.4001 -8.8687 -8.8687 -8.4660 -8.4660 -7.9339 -7.9339 -7.6481 -7.6481 -7.5512 -7.5512 -7.3858 -7.3858 -2.6879 -2.6879 2.7536 2.7536 3.8056 3.8056 3.8870 3.8870 6.6244 6.6244 7.5329 7.5329 7.5469 7.5469 10.3202 10.3202 11.2874 11.2874 12.2266 12.2266 12.2452 12.2452 k = 0.2174 0.0599 0.0363 ( 3223 PWs) bands (ev): -26.1277 -26.1277 -26.0370 -26.0370 -9.4131 -9.4131 -8.8491 -8.8491 -8.4709 -8.4709 -7.9167 -7.9167 -7.6481 -7.6481 -7.5512 -7.5512 -7.4070 -7.4070 -2.6845 -2.6845 2.7462 2.7462 3.8045 3.8045 3.8858 3.8858 6.6573 6.6573 7.5394 7.5394 7.5537 7.5537 10.2490 10.2490 11.2874 11.2874 12.1981 12.1981 12.2168 12.2168 k = 0.1957 0.0539 0.0327 ( 3218 PWs) bands (ev): -26.1279 -26.1279 -26.0368 -26.0368 -9.4249 -9.4249 -8.8305 -8.8305 -8.4758 -8.4758 -7.8984 -7.8984 -7.6481 -7.6481 -7.5512 -7.5512 -7.4292 -7.4292 -2.6811 -2.6811 2.7390 2.7390 3.8034 3.8034 3.8846 3.8846 6.6899 6.6899 7.5458 7.5458 7.5604 7.5604 10.1797 10.1797 11.2901 11.2901 12.1717 12.1717 12.1905 12.1905 k = 0.1739 0.0479 0.0291 ( 3218 PWs) bands (ev): -26.1281 -26.1281 -26.0367 -26.0367 -9.4356 -9.4356 -8.8132 -8.8132 -8.4808 -8.4808 -7.8792 -7.8792 -7.6481 -7.6481 -7.5511 -7.5511 -7.4521 -7.4521 -2.6779 -2.6779 2.7323 2.7323 3.8023 3.8023 3.8836 3.8836 6.7216 6.7216 7.5518 7.5518 7.5668 7.5668 10.1140 10.1140 11.2946 11.2946 12.1477 12.1477 12.1665 12.1665 k = 0.1522 0.0419 0.0254 ( 3218 PWs) bands (ev): -26.1282 -26.1282 -26.0365 -26.0365 -9.4451 -9.4451 -8.7972 -8.7972 -8.4858 -8.4858 -7.8590 -7.8590 -7.6481 -7.6481 -7.5511 -7.5511 -7.4757 -7.4757 -2.6749 -2.6749 2.7260 2.7260 3.8014 3.8014 3.8825 3.8825 6.7519 6.7519 7.5575 7.5575 7.5727 7.5727 10.0528 10.0528 11.3002 11.3002 12.1261 12.1261 12.1450 12.1450 k = 0.1304 0.0359 0.0218 ( 3218 PWs) bands (ev): -26.1283 -26.1283 -26.0364 -26.0364 -9.4534 -9.4534 -8.7828 -8.7828 -8.4906 -8.4906 -7.8382 -7.8382 -7.6482 -7.6482 -7.5511 -7.5511 -7.4996 -7.4996 -2.6722 -2.6722 2.7203 2.7203 3.8005 3.8005 3.8816 3.8816 6.7799 6.7799 7.5627 7.5627 7.5782 7.5782 9.9973 9.9973 11.3063 11.3063 12.1071 12.1071 12.1261 12.1261 k = 0.1087 0.0300 0.0182 ( 3215 PWs) bands (ev): -26.1284 -26.1284 -26.0363 -26.0363 -9.4605 -9.4605 -8.7701 -8.7701 -8.4950 -8.4950 -7.8170 -7.8170 -7.6482 -7.6482 -7.5511 -7.5511 -7.5235 -7.5235 -2.6699 -2.6699 2.7153 2.7153 3.7997 3.7997 3.8808 3.8808 6.8051 6.8051 7.5673 7.5673 7.5830 7.5830 9.9486 9.9486 11.3124 11.3124 12.0909 12.0909 12.1100 12.1100 k = 0.0870 0.0240 0.0145 ( 3209 PWs) bands (ev): -26.1285 -26.1285 -26.0362 -26.0362 -9.4663 -9.4663 -8.7593 -8.7593 -8.4990 -8.4990 -7.7959 -7.7959 -7.6482 -7.6482 -7.5511 -7.5511 -7.5468 -7.5468 -2.6679 -2.6679 2.7111 2.7111 3.7991 3.7991 3.8801 3.8801 6.8267 6.8267 7.5711 7.5711 7.5870 7.5870 9.9074 9.9074 11.3180 11.3180 12.0775 12.0775 12.0967 12.0967 k = 0.0652 0.0180 0.0109 ( 3191 PWs) bands (ev): -26.1286 -26.1286 -26.0361 -26.0361 -9.4709 -9.4709 -8.7506 -8.7506 -8.5023 -8.5023 -7.7756 -7.7756 -7.6482 -7.6482 -7.5689 -7.5689 -7.5511 -7.5511 -2.6663 -2.6663 2.7078 2.7078 3.7986 3.7986 3.8796 3.8796 6.8443 6.8443 7.5742 7.5742 7.5903 7.5903 9.8745 9.8745 11.3228 11.3228 12.0670 12.0670 12.0862 12.0862 k = 0.0435 0.0120 0.0073 ( 3185 PWs) bands (ev): -26.1286 -26.1286 -26.0360 -26.0360 -9.4741 -9.4741 -8.7442 -8.7442 -8.5049 -8.5049 -7.7576 -7.7576 -7.6482 -7.6482 -7.5883 -7.5883 -7.5511 -7.5511 -2.6651 -2.6651 2.7054 2.7054 3.7982 3.7982 3.8792 3.8792 6.8572 6.8572 7.5765 7.5765 7.5927 7.5927 9.8505 9.8505 11.3264 11.3264 12.0595 12.0595 12.0788 12.0788 k = 0.0217 0.0060 0.0036 ( 3185 PWs) bands (ev): -26.1287 -26.1287 -26.0360 -26.0360 -9.4761 -9.4761 -8.7403 -8.7403 -8.5064 -8.5064 -7.7442 -7.7442 -7.6482 -7.6482 -7.6024 -7.6024 -7.5511 -7.5511 -2.6644 -2.6644 2.7039 2.7039 3.7980 3.7980 3.8790 3.8790 6.8652 6.8652 7.5779 7.5779 7.5941 7.5941 9.8359 9.8359 11.3286 11.3286 12.0549 12.0549 12.0743 12.0743 k = 0.0000 0.0000 0.0000 ( 3179 PWs) bands (ev): -26.1287 -26.1287 -26.0360 -26.0360 -9.4767 -9.4767 -8.7390 -8.7390 -8.5070 -8.5070 -7.7391 -7.7391 -7.6482 -7.6482 -7.6078 -7.6078 -7.5511 -7.5511 -2.6642 -2.6642 2.7034 2.7034 3.7979 3.7979 3.8789 3.8789 6.8678 6.8678 7.5783 7.5783 7.5946 7.5946 9.8311 9.8311 11.3294 11.3294 12.0534 12.0534 12.0728 12.0728 k = 0.0000 0.0000 0.0000 ( 3179 PWs) bands (ev): -26.1287 -26.1287 -26.0360 -26.0360 -9.4767 -9.4767 -8.7390 -8.7390 -8.5070 -8.5070 -7.7391 -7.7391 -7.6482 -7.6482 -7.6078 -7.6078 -7.5511 -7.5511 -2.6642 -2.6642 2.7034 2.7034 3.7979 3.7979 3.8789 3.8789 6.8678 6.8678 7.5783 7.5783 7.5946 7.5946 9.8311 9.8311 11.3294 11.3294 12.0534 12.0534 12.0728 12.0728 k = 0.0061-0.0102-0.0197 ( 3183 PWs) bands (ev): -26.1286 -26.1286 -26.0360 -26.0360 -9.4763 -9.4763 -8.7395 -8.7395 -8.5072 -8.5072 -7.7406 -7.7406 -7.6489 -7.6489 -7.6071 -7.6071 -7.5502 -7.5502 -2.6640 -2.6640 2.7039 2.7039 3.7969 3.7969 3.8778 3.8778 6.8684 6.8684 7.5769 7.5769 7.5934 7.5934 9.8363 9.8363 11.3319 11.3319 12.0513 12.0513 12.0720 12.0720 k = 0.0122-0.0205-0.0393 ( 3193 PWs) bands (ev): -26.1284 -26.1284 -26.0359 -26.0359 -9.4751 -9.4751 -8.7410 -8.7410 -8.5078 -8.5078 -7.7449 -7.7449 -7.6511 -7.6511 -7.6052 -7.6052 -7.5477 -7.5477 -2.6634 -2.6634 2.7053 2.7053 3.7937 3.7937 3.8748 3.8748 6.8702 6.8702 7.5715 7.5715 7.5910 7.5910 9.8517 9.8517 11.3396 11.3396 12.0399 12.0399 12.0748 12.0748 k = 0.0183-0.0307-0.0590 ( 3205 PWs) bands (ev): -26.1281 -26.1281 -26.0358 -26.0358 -9.4730 -9.4730 -8.7435 -8.7435 -8.5087 -8.5087 -7.7517 -7.7517 -7.6544 -7.6544 -7.6027 -7.6027 -7.5436 -7.5436 -2.6625 -2.6625 2.7077 2.7077 3.7882 3.7882 3.8699 3.8699 6.8733 6.8733 7.5603 7.5603 7.5896 7.5896 9.8772 9.8772 11.3523 11.3523 12.0169 12.0169 12.0843 12.0843 k = 0.0244-0.0410-0.0786 ( 3205 PWs) bands (ev): -26.1277 -26.1277 -26.0357 -26.0357 -9.4701 -9.4701 -8.7470 -8.7470 -8.5101 -8.5101 -7.7605 -7.7605 -7.6585 -7.6585 -7.6000 -7.6000 -7.5381 -7.5381 -2.6611 -2.6611 2.7110 2.7110 3.7800 3.7800 3.8637 3.8637 6.8775 6.8775 7.5437 7.5437 7.5893 7.5893 9.9119 9.9119 11.3698 11.3698 11.9847 11.9847 12.0991 12.0991 k = 0.0305-0.0512-0.0983 ( 3205 PWs) bands (ev): -26.1271 -26.1271 -26.0355 -26.0355 -9.4663 -9.4663 -8.7514 -8.7514 -8.5117 -8.5117 -7.7708 -7.7708 -7.6634 -7.6634 -7.5974 -7.5974 -7.5315 -7.5315 -2.6594 -2.6594 2.7152 2.7152 3.7688 3.7688 3.8565 3.8565 6.8829 6.8829 7.5227 7.5227 7.5897 7.5897 9.9554 9.9554 11.3922 11.3922 11.9451 11.9451 12.1186 12.1186 k = 0.0366-0.0614-0.1179 ( 3206 PWs) bands (ev): -26.1264 -26.1264 -26.0353 -26.0353 -9.4618 -9.4618 -8.7568 -8.7568 -8.5138 -8.5138 -7.7824 -7.7824 -7.6690 -7.6690 -7.5951 -7.5951 -7.5240 -7.5240 -2.6574 -2.6574 2.7202 2.7202 3.7542 3.7542 3.8488 3.8488 6.8895 6.8895 7.4983 7.4983 7.5906 7.5906 10.0066 10.0066 11.4191 11.4191 11.8997 11.8997 12.1425 12.1425 k = 0.0427-0.0717-0.1376 ( 3208 PWs) bands (ev): -26.1255 -26.1255 -26.0351 -26.0351 -9.4565 -9.4565 -8.7631 -8.7631 -8.5162 -8.5162 -7.7947 -7.7947 -7.6751 -7.6751 -7.5932 -7.5932 -7.5161 -7.5161 -2.6550 -2.6550 2.7260 2.7260 3.7360 3.7360 3.8409 3.8409 6.8972 6.8972 7.4713 7.4713 7.5918 7.5918 10.0648 10.0648 11.4504 11.4504 11.8499 11.8499 12.1707 12.1707 k = 0.0489-0.0819-0.1572 ( 3212 PWs) bands (ev): -26.1246 -26.1246 -26.0348 -26.0348 -9.4504 -9.4504 -8.7703 -8.7703 -8.5188 -8.5188 -7.8076 -7.8076 -7.6817 -7.6817 -7.5918 -7.5918 -7.5078 -7.5078 -2.6523 -2.6523 2.7326 2.7326 3.7143 3.7143 3.8328 3.8328 6.9062 6.9062 7.4425 7.4425 7.5933 7.5933 10.1292 10.1292 11.4858 11.4858 11.7969 11.7969 12.2031 12.2031 k = 0.0550-0.0922-0.1769 ( 3214 PWs) bands (ev): -26.1235 -26.1235 -26.0345 -26.0345 -9.4436 -9.4436 -8.7784 -8.7784 -8.5218 -8.5218 -7.8209 -7.8209 -7.6888 -7.6888 -7.5907 -7.5907 -7.4995 -7.4995 -2.6492 -2.6492 2.7398 2.7398 3.6893 3.6893 3.8246 3.8246 6.9162 6.9162 7.4126 7.4126 7.5950 7.5950 10.1988 10.1988 11.5250 11.5250 11.7419 11.7419 12.2395 12.2395 k = 0.0611-0.1024-0.1965 ( 3212 PWs) bands (ev): -26.1223 -26.1223 -26.0342 -26.0342 -9.4360 -9.4360 -8.7874 -8.7874 -8.5250 -8.5250 -7.8345 -7.8345 -7.6963 -7.6963 -7.5901 -7.5901 -7.4913 -7.4913 -2.6459 -2.6459 2.7476 2.7476 3.6612 3.6612 3.8162 3.8162 6.9274 6.9274 7.3822 7.3822 7.5971 7.5971 10.2728 10.2728 11.5677 11.5677 11.6859 11.6859 12.2794 12.2794 k = 0.0672-0.1126-0.2162 ( 3212 PWs) bands (ev): -26.1210 -26.1210 -26.0339 -26.0339 -9.4278 -9.4278 -8.7972 -8.7972 -8.5285 -8.5285 -7.8481 -7.8481 -7.7041 -7.7041 -7.5898 -7.5898 -7.4834 -7.4834 -2.6422 -2.6422 2.7560 2.7560 3.6302 3.6302 3.8075 3.8075 6.9397 6.9397 7.3518 7.3518 7.5994 7.5994 10.3506 10.3506 11.6129 11.6129 11.6304 11.6304 12.3224 12.3224 k = 0.0733-0.1229-0.2359 ( 3214 PWs) bands (ev): -26.1197 -26.1197 -26.0335 -26.0335 -9.4190 -9.4190 -8.8077 -8.8077 -8.5322 -8.5322 -7.8617 -7.8617 -7.7123 -7.7123 -7.5900 -7.5900 -7.4758 -7.4758 -2.6383 -2.6383 2.7648 2.7648 3.5968 3.5968 3.7983 3.7983 6.9530 6.9530 7.3220 7.3220 7.6020 7.6020 10.4313 10.4313 11.5736 11.5736 11.6629 11.6629 12.3674 12.3674 k = 0.0794-0.1331-0.2555 ( 3218 PWs) bands (ev): -26.1182 -26.1182 -26.0331 -26.0331 -9.4095 -9.4095 -8.8190 -8.8190 -8.5360 -8.5360 -7.8752 -7.8752 -7.7209 -7.7209 -7.5905 -7.5905 -7.4686 -7.4686 -2.6340 -2.6340 2.7740 2.7740 3.5611 3.5611 3.7886 3.7886 6.9674 6.9674 7.2931 7.2931 7.6048 7.6048 10.5144 10.5144 11.5191 11.5191 11.7144 11.7144 12.4127 12.4127 k = 0.0855-0.1434-0.2752 ( 3222 PWs) bands (ev): -26.1166 -26.1166 -26.0327 -26.0327 -9.3995 -9.3995 -8.8309 -8.8309 -8.5400 -8.5400 -7.8885 -7.8885 -7.7297 -7.7297 -7.5913 -7.5913 -7.4619 -7.4619 -2.6296 -2.6296 2.7835 2.7835 3.5236 3.5236 3.7783 3.7783 6.9827 6.9827 7.2654 7.2654 7.6079 7.6079 10.5993 10.5993 11.4662 11.4662 11.7682 11.7682 12.4552 12.4552 k = 0.0916-0.1536-0.2948 ( 3222 PWs) bands (ev): -26.1149 -26.1149 -26.0323 -26.0323 -9.3889 -9.3889 -8.8434 -8.8434 -8.5441 -8.5441 -7.9017 -7.9017 -7.7388 -7.7388 -7.5925 -7.5925 -7.4557 -7.4557 -2.6249 -2.6249 2.7933 2.7933 3.4844 3.4844 3.7674 3.7674 6.9989 6.9989 7.2392 7.2392 7.6112 7.6112 10.6853 10.6853 11.4153 11.4153 11.8241 11.8241 12.4890 12.4890 k = 0.0977-0.1638-0.3145 ( 3226 PWs) bands (ev): -26.1131 -26.1131 -26.0319 -26.0319 -9.3778 -9.3778 -8.8564 -8.8564 -8.5482 -8.5482 -7.9146 -7.9146 -7.7481 -7.7481 -7.5941 -7.5941 -7.4501 -7.4501 -2.6200 -2.6200 2.8032 2.8032 3.4438 3.4438 3.7558 3.7558 7.0159 7.0159 7.2148 7.2148 7.6148 7.6148 10.7722 10.7722 11.3668 11.3668 11.8818 11.8818 12.5057 12.5057 k = 0.1038-0.1741-0.3341 ( 3228 PWs) bands (ev): -26.1113 -26.1113 -26.0315 -26.0315 -9.3664 -9.3664 -8.8699 -8.8699 -8.5524 -8.5524 -7.9272 -7.9272 -7.7576 -7.7576 -7.5960 -7.5960 -7.4450 -7.4450 -2.6150 -2.6150 2.8131 2.8131 3.4022 3.4022 3.7434 3.7434 7.0337 7.0337 7.1922 7.1922 7.6186 7.6186 10.8592 10.8592 11.3211 11.3211 11.9410 11.9410 12.4986 12.4986 k = 0.1099-0.1843-0.3538 ( 3230 PWs) bands (ev): -26.1093 -26.1093 -26.0310 -26.0310 -9.3546 -9.3546 -8.8838 -8.8838 -8.5565 -8.5565 -7.9395 -7.9395 -7.7674 -7.7674 -7.5982 -7.5982 -7.4404 -7.4404 -2.6097 -2.6097 2.8231 2.8231 3.3598 3.3598 3.7303 3.7303 7.0521 7.0521 7.1717 7.1717 7.6226 7.6226 10.9462 10.9462 11.2784 11.2784 12.0015 12.0015 12.4697 12.4697 k = 0.1160-0.1946-0.3734 ( 3228 PWs) bands (ev): -26.1073 -26.1073 -26.0306 -26.0306 -9.3425 -9.3425 -8.8980 -8.8980 -8.5605 -8.5605 -7.9514 -7.9514 -7.7773 -7.7773 -7.6008 -7.6008 -7.4365 -7.4365 -2.6043 -2.6043 2.8330 2.8330 3.3168 3.3168 3.7164 3.7164 7.0711 7.0711 7.1533 7.1533 7.6268 7.6268 11.0326 11.0326 11.2390 11.2390 12.0630 12.0630 12.4272 12.4272 k = 0.1221-0.2048-0.3931 ( 3230 PWs) bands (ev): -26.1053 -26.1053 -26.0302 -26.0302 -9.3301 -9.3301 -8.9124 -8.9124 -8.5645 -8.5645 -7.9630 -7.9630 -7.7874 -7.7874 -7.6036 -7.6036 -7.4331 -7.4331 -2.5988 -2.5988 2.8428 2.8428 3.2736 3.2736 3.7018 3.7018 7.0901 7.0901 7.1374 7.1374 7.6311 7.6311 11.1179 11.1179 11.2031 11.2031 12.1249 12.1249 12.3780 12.3780 k = 0.1282-0.2150-0.4127 ( 3232 PWs) bands (ev): -26.1032 -26.1032 -26.0298 -26.0298 -9.3176 -9.3176 -8.9269 -8.9269 -8.5682 -8.5682 -7.9743 -7.9743 -7.7977 -7.7977 -7.6068 -7.6068 -7.4303 -7.4303 -2.5932 -2.5932 2.8524 2.8524 3.2305 3.2305 3.6863 3.6863 7.1069 7.1069 7.1263 7.1263 7.6356 7.6356 11.1700 11.1700 11.2027 11.2027 12.1853 12.1853 12.3281 12.3281 k = 0.1344-0.2253-0.4324 ( 3228 PWs) bands (ev): -26.1010 -26.1010 -26.0294 -26.0294 -9.3050 -9.3050 -8.9415 -8.9415 -8.5717 -8.5717 -7.9852 -7.9852 -7.8080 -7.8080 -7.6103 -7.6103 -7.4279 -7.4279 -2.5875 -2.5875 2.8617 2.8617 3.1876 3.1876 3.6700 3.6700 7.1062 7.1062 7.1351 7.1351 7.6402 7.6402 11.1416 11.1416 11.2848 11.2848 12.2282 12.2282 12.2957 12.2957 k = 0.1405-0.2355-0.4521 ( 3226 PWs) bands (ev): -26.0988 -26.0988 -26.0290 -26.0290 -9.2924 -9.2924 -8.9561 -8.9561 -8.5749 -8.5749 -7.9957 -7.9957 -7.8185 -7.8185 -7.6141 -7.6141 -7.4262 -7.4262 -2.5817 -2.5817 2.8706 2.8706 3.1453 3.1453 3.6530 3.6530 7.0973 7.0973 7.1543 7.1543 7.6448 7.6448 11.1168 11.1168 11.3652 11.3652 12.2013 12.2013 12.3341 12.3341 k = 0.1466-0.2457-0.4717 ( 3230 PWs) bands (ev): -26.0966 -26.0966 -26.0287 -26.0287 -9.2798 -9.2798 -8.9706 -8.9706 -8.5778 -8.5778 -8.0058 -8.0058 -7.8291 -7.8291 -7.6182 -7.6182 -7.4249 -7.4249 -2.5760 -2.5760 2.8791 2.8791 3.1039 3.1039 3.6351 3.6351 7.0893 7.0893 7.1747 7.1747 7.6495 7.6495 11.0958 11.0958 11.4431 11.4431 12.1526 12.1526 12.3964 12.3964 k = 0.1527-0.2560-0.4914 ( 3232 PWs) bands (ev): -26.0943 -26.0943 -26.0283 -26.0283 -9.2674 -9.2674 -8.9849 -8.9849 -8.5803 -8.5803 -8.0155 -8.0155 -7.8397 -7.8397 -7.6225 -7.6225 -7.4241 -7.4241 -2.5701 -2.5701 2.8868 2.8868 3.0638 3.0638 3.6165 3.6165 7.0830 7.0830 7.1952 7.1952 7.6541 7.6541 11.0789 11.0789 11.5180 11.5180 12.1028 12.1028 12.4620 12.4620 k = 0.1588-0.2662-0.5110 ( 3234 PWs) bands (ev): -26.0920 -26.0920 -26.0280 -26.0280 -9.2552 -9.2552 -8.9989 -8.9989 -8.5824 -8.5824 -8.0249 -8.0249 -7.8503 -7.8503 -7.6271 -7.6271 -7.4237 -7.4237 -2.5643 -2.5643 2.8935 2.8935 3.0256 3.0256 3.5971 3.5971 7.0783 7.0783 7.2157 7.2157 7.6587 7.6587 11.0660 11.0660 11.5894 11.5894 12.0547 12.0547 12.5286 12.5286 k = 0.1649-0.2765-0.5307 ( 3238 PWs) bands (ev): -26.0897 -26.0897 -26.0278 -26.0278 -9.2434 -9.2434 -9.0126 -9.0126 -8.5840 -8.5840 -8.0339 -8.0339 -7.8610 -7.8610 -7.6320 -7.6320 -7.4238 -7.4238 -2.5586 -2.5586 2.8981 2.8981 2.9905 2.9905 3.5769 3.5769 7.0754 7.0754 7.2360 7.2360 7.6631 7.6631 11.0572 11.0572 11.6562 11.6562 12.0095 12.0095 12.5549 12.5549 k = 0.1710-0.2867-0.5503 ( 3240 PWs) bands (ev): -26.0874 -26.0874 -26.0275 -26.0275 -9.2320 -9.2320 -9.0258 -9.0258 -8.5852 -8.5852 -8.0424 -8.0424 -7.8716 -7.8716 -7.6371 -7.6371 -7.4243 -7.4243 -2.5529 -2.5529 2.8973 2.8973 2.9620 2.9620 3.5561 3.5561 7.0741 7.0741 7.2560 7.2560 7.6674 7.6674 11.0524 11.0524 11.7167 11.7167 11.9691 11.9691 12.5327 12.5327 k = 0.1771-0.2969-0.5700 ( 3240 PWs) bands (ev): -26.0851 -26.0851 -26.0273 -26.0273 -9.2210 -9.2210 -9.0385 -9.0385 -8.5858 -8.5858 -8.0506 -8.0506 -7.8821 -7.8821 -7.6424 -7.6424 -7.4252 -7.4252 -2.5473 -2.5473 2.8845 2.8845 2.9467 2.9467 3.5345 3.5345 7.0743 7.0743 7.2754 7.2754 7.6716 7.6716 11.0518 11.0518 11.7661 11.7661 11.9379 11.9379 12.5104 12.5104 k = 0.1832-0.3072-0.5896 ( 3242 PWs) bands (ev): -26.0827 -26.0827 -26.0272 -26.0272 -9.2107 -9.2107 -9.0506 -9.0506 -8.5860 -8.5860 -8.0583 -8.0583 -7.8925 -7.8925 -7.6480 -7.6480 -7.4264 -7.4264 -2.5417 -2.5417 2.8604 2.8604 2.9444 2.9444 3.5122 3.5122 7.0758 7.0758 7.2943 7.2943 7.6754 7.6754 11.0552 11.0552 11.7923 11.7923 11.9279 11.9279 12.4888 12.4888 k = 0.1893-0.3174-0.6093 ( 3242 PWs) bands (ev): -26.0804 -26.0804 -26.0271 -26.0271 -9.2012 -9.2012 -9.0620 -9.0620 -8.5856 -8.5856 -8.0657 -8.0657 -7.9028 -7.9028 -7.6538 -7.6538 -7.4280 -7.4280 -2.5364 -2.5364 2.8326 2.8326 2.9473 2.9473 3.4892 3.4892 7.0787 7.0787 7.3124 7.3124 7.6791 7.6791 11.0626 11.0626 11.7860 11.7860 11.9481 11.9481 12.4681 12.4681 k = 0.1954-0.3277-0.6289 ( 3240 PWs) bands (ev): -26.0781 -26.0781 -26.0270 -26.0270 -9.1924 -9.1924 -9.0725 -9.0725 -8.5848 -8.5848 -8.0726 -8.0726 -7.9127 -7.9127 -7.6597 -7.6597 -7.4298 -7.4298 -2.5311 -2.5311 2.8049 2.8049 2.9520 2.9520 3.4656 3.4656 7.0828 7.0828 7.3297 7.3297 7.6823 7.6823 11.0741 11.0741 11.7618 11.7618 11.9834 11.9834 12.4485 12.4485 k = 0.2015-0.3379-0.6486 ( 3240 PWs) bands (ev): -26.0758 -26.0758 -26.0270 -26.0270 -9.1846 -9.1846 -9.0820 -9.0820 -8.5835 -8.5835 -8.0791 -8.0791 -7.9224 -7.9224 -7.6659 -7.6659 -7.4319 -7.4319 -2.5261 -2.5261 2.7786 2.7786 2.9572 2.9572 3.4414 3.4414 7.0879 7.0879 7.3461 7.3461 7.6853 7.6853 11.0894 11.0894 11.7327 11.7327 12.0207 12.0207 12.4302 12.4302 k = 0.2076-0.3481-0.6683 ( 3234 PWs) bands (ev): -26.0736 -26.0736 -26.0270 -26.0270 -9.1780 -9.1780 -9.0904 -9.0904 -8.5819 -8.5819 -8.0851 -8.0851 -7.9316 -7.9316 -7.6722 -7.6722 -7.4343 -7.4343 -2.5212 -2.5212 2.7542 2.7542 2.9626 2.9626 3.4167 3.4167 7.0941 7.0941 7.3615 7.3615 7.6878 7.6878 11.1087 11.1087 11.7031 11.7031 12.0553 12.0553 12.4134 12.4134 k = 0.2137-0.3584-0.6879 ( 3238 PWs) bands (ev): -26.0714 -26.0714 -26.0271 -26.0271 -9.1727 -9.1727 -9.0975 -9.0975 -8.5799 -8.5799 -8.0908 -8.0908 -7.9404 -7.9404 -7.6787 -7.6787 -7.4370 -7.4370 -2.5165 -2.5165 2.7321 2.7321 2.9679 2.9679 3.3914 3.3914 7.1011 7.1011 7.3758 7.3758 7.6899 7.6899 11.1318 11.1318 11.6746 11.6746 12.0854 12.0854 12.3983 12.3983 k = 0.2199-0.3686-0.7076 ( 3248 PWs) bands (ev): -26.0692 -26.0692 -26.0272 -26.0272 -9.1689 -9.1689 -9.1030 -9.1030 -8.5776 -8.5776 -8.0960 -8.0960 -7.9485 -7.9485 -7.6853 -7.6853 -7.4398 -7.4398 -2.5121 -2.5121 2.7124 2.7124 2.9731 2.9731 3.3656 3.3656 7.1089 7.1089 7.3889 7.3889 7.6916 7.6916 11.1586 11.1586 11.6477 11.6477 12.1102 12.1102 12.3850 12.3850 k = 0.2260-0.3789-0.7272 ( 3246 PWs) bands (ev): -26.0670 -26.0670 -26.0274 -26.0274 -9.1669 -9.1669 -9.1068 -9.1068 -8.5752 -8.5752 -8.1008 -8.1008 -7.9559 -7.9559 -7.6920 -7.6920 -7.4429 -7.4429 -2.5079 -2.5079 2.6953 2.6953 2.9781 2.9781 3.3394 3.3394 7.1174 7.1174 7.4007 7.4007 7.6929 7.6929 11.1890 11.1890 11.6227 11.6227 12.1294 12.1294 12.3736 12.3736 k = 0.2321-0.3891-0.7469 ( 3246 PWs) bands (ev): -26.0649 -26.0649 -26.0276 -26.0276 -9.1665 -9.1665 -9.1089 -9.1089 -8.5727 -8.5727 -8.1052 -8.1052 -7.9625 -7.9625 -7.6988 -7.6988 -7.4462 -7.4462 -2.5040 -2.5040 2.6807 2.6807 2.9829 2.9829 3.3128 3.3128 7.1265 7.1265 7.4111 7.4111 7.6937 7.6937 11.2230 11.2230 11.5996 11.5996 12.1427 12.1427 12.3643 12.3643 k = 0.2382-0.3993-0.7665 ( 3244 PWs) bands (ev): -26.0629 -26.0629 -26.0279 -26.0279 -9.1674 -9.1674 -9.1096 -9.1096 -8.5702 -8.5702 -8.1092 -8.1092 -7.9681 -7.9681 -7.7057 -7.7057 -7.4496 -7.4496 -2.5003 -2.5003 2.6689 2.6689 2.9875 2.9875 3.2858 3.2858 7.1362 7.1362 7.4202 7.4202 7.6941 7.6941 11.2604 11.2604 11.5786 11.5786 12.1500 12.1500 12.3571 12.3571 k = 0.2443-0.4096-0.7862 ( 3244 PWs) bands (ev): -26.0609 -26.0609 -26.0283 -26.0283 -9.1692 -9.1692 -9.1093 -9.1093 -8.5677 -8.5677 -8.1129 -8.1129 -7.9727 -7.9727 -7.7127 -7.7127 -7.4533 -7.4533 -2.4969 -2.4969 2.6598 2.6598 2.9919 2.9919 3.2585 3.2585 7.1463 7.1463 7.4277 7.4277 7.6942 7.6942 11.3010 11.3010 11.5597 11.5597 12.1511 12.1511 12.3520 12.3520 k = 0.2504-0.4198-0.8058 ( 3244 PWs) bands (ev): -26.0589 -26.0589 -26.0287 -26.0287 -9.1715 -9.1715 -9.1085 -9.1085 -8.5654 -8.5654 -8.1163 -8.1163 -7.9761 -7.9761 -7.7198 -7.7198 -7.4571 -7.4571 -2.4938 -2.4938 2.6534 2.6534 2.9960 2.9960 3.2311 3.2311 7.1569 7.1569 7.4335 7.4335 7.6940 7.6940 11.3449 11.3449 11.5428 11.5428 12.1461 12.1461 12.3493 12.3493 k = 0.2565-0.4301-0.8255 ( 3248 PWs) bands (ev): -26.0570 -26.0570 -26.0292 -26.0292 -9.1739 -9.1739 -9.1076 -9.1076 -8.5633 -8.5633 -8.1194 -8.1194 -7.9782 -7.9782 -7.7268 -7.7268 -7.4610 -7.4610 -2.4910 -2.4910 2.6499 2.6499 2.9998 2.9998 3.2035 3.2035 7.1677 7.1677 7.4377 7.4377 7.6936 7.6936 11.3918 11.3918 11.5280 11.5280 12.1347 12.1347 12.3490 12.3490 k = 0.2626-0.4403-0.8451 ( 3256 PWs) bands (ev): -26.0552 -26.0552 -26.0297 -26.0297 -9.1762 -9.1762 -9.1067 -9.1067 -8.5615 -8.5615 -8.1223 -8.1223 -7.9790 -7.9790 -7.7339 -7.7339 -7.4652 -7.4652 -2.4885 -2.4885 2.6490 2.6490 3.0031 3.0031 3.1759 3.1759 7.1789 7.1789 7.4402 7.4402 7.6930 7.6930 11.4416 11.4416 11.5153 11.5153 12.1169 12.1169 12.3512 12.3512 k = 0.2687-0.4505-0.8648 ( 3256 PWs) bands (ev): -26.0534 -26.0534 -26.0303 -26.0303 -9.1782 -9.1782 -9.1060 -9.1060 -8.5599 -8.5599 -8.1250 -8.1250 -7.9784 -7.9784 -7.7409 -7.7409 -7.4694 -7.4694 -2.4862 -2.4862 2.6510 2.6510 3.0060 3.0060 3.1485 3.1485 7.1904 7.1904 7.4408 7.4408 7.6924 7.6924 11.4936 11.4936 11.5050 11.5050 12.0925 12.0925 12.3559 12.3559 k = 0.2748-0.4608-0.8845 ( 3252 PWs) bands (ev): -26.0517 -26.0517 -26.0309 -26.0309 -9.1799 -9.1799 -9.1056 -9.1056 -8.5585 -8.5585 -8.1274 -8.1274 -7.9765 -7.9765 -7.7479 -7.7479 -7.4739 -7.4739 -2.4843 -2.4843 2.6556 2.6556 3.0080 3.0080 3.1216 3.1216 7.2021 7.2021 7.4395 7.4395 7.6919 7.6919 11.4956 11.4956 11.5493 11.5493 12.0613 12.0613 12.3632 12.3632 k = 0.2809-0.4710-0.9041 ( 3242 PWs) bands (ev): -26.0501 -26.0501 -26.0316 -26.0316 -9.1813 -9.1813 -9.1055 -9.1055 -8.5574 -8.5574 -8.1296 -8.1296 -7.9733 -7.9733 -7.7548 -7.7548 -7.4784 -7.4784 -2.4826 -2.4826 2.6628 2.6628 3.0086 3.0086 3.0960 3.0960 7.2140 7.2140 7.4363 7.4363 7.6915 7.6915 11.4888 11.4888 11.6067 11.6067 12.0234 12.0234 12.3733 12.3733 k = 0.2870-0.4813-0.9238 ( 3242 PWs) bands (ev): -26.0486 -26.0486 -26.0323 -26.0323 -9.1823 -9.1823 -9.1058 -9.1058 -8.5565 -8.5565 -8.1315 -8.1315 -7.9689 -7.9689 -7.7615 -7.7615 -7.4832 -7.4832 -2.4812 -2.4812 2.6726 2.6726 3.0061 3.0061 3.0732 3.0732 7.2261 7.2261 7.4312 7.4312 7.6913 7.6913 11.4839 11.4839 11.6662 11.6662 11.9785 11.9785 12.3863 12.3863 k = 0.2931-0.4915-0.9434 ( 3242 PWs) bands (ev): -26.0471 -26.0471 -26.0331 -26.0331 -9.1830 -9.1830 -9.1064 -9.1064 -8.5557 -8.5557 -8.1331 -8.1331 -7.9635 -7.9635 -7.7681 -7.7681 -7.4881 -7.4881 -2.4800 -2.4800 2.6848 2.6848 2.9977 2.9977 3.0562 3.0562 7.2384 7.2384 7.4243 7.4243 7.6913 7.6913 11.4809 11.4809 11.7276 11.7276 11.9269 11.9269 12.4022 12.4022 k = 0.2992-0.5017-0.9631 ( 3248 PWs) bands (ev): -26.0456 -26.0456 -26.0339 -26.0339 -9.1836 -9.1836 -9.1072 -9.1072 -8.5550 -8.5550 -8.1343 -8.1343 -7.9572 -7.9572 -7.7743 -7.7743 -7.4931 -7.4931 -2.4791 -2.4791 2.6994 2.6994 2.9811 2.9811 3.0473 3.0473 7.2509 7.2509 7.4156 7.4156 7.6916 7.6916 11.4797 11.4797 11.7902 11.7902 11.8688 11.8688 12.4211 12.4211 k = 0.3053-0.5120-0.9827 ( 3254 PWs) bands (ev): -26.0443 -26.0443 -26.0347 -26.0347 -9.1841 -9.1841 -9.1083 -9.1083 -8.5542 -8.5542 -8.1351 -8.1351 -7.9501 -7.9501 -7.7802 -7.7802 -7.4984 -7.4984 -2.4785 -2.4785 2.7161 2.7161 2.9590 2.9590 3.0441 3.0441 7.2635 7.2635 7.4052 7.4052 7.6922 7.6922 11.4802 11.4802 11.8026 11.8026 11.8559 11.8559 12.4434 12.4434 k = 0.3115-0.5222-1.0024 ( 3258 PWs) bands (ev): -26.0430 -26.0430 -26.0356 -26.0356 -9.1846 -9.1846 -9.1095 -9.1095 -8.5533 -8.5533 -8.1355 -8.1355 -7.9426 -7.9426 -7.7857 -7.7857 -7.5038 -7.5038 -2.4780 -2.4780 2.7347 2.7347 2.9344 2.9344 3.0436 3.0436 7.2763 7.2763 7.3934 7.3934 7.6930 7.6930 11.4823 11.4823 11.7329 11.7329 11.9203 11.9203 12.4690 12.4690 k = 0.3176-0.5325-1.0220 ( 3262 PWs) bands (ev): -26.0418 -26.0418 -26.0365 -26.0365 -9.1854 -9.1854 -9.1106 -9.1106 -8.5523 -8.5523 -8.1354 -8.1354 -7.9348 -7.9348 -7.7905 -7.7905 -7.5094 -7.5094 -2.4778 -2.4778 2.7547 2.7547 2.9094 2.9094 3.0441 3.0441 7.2891 7.2891 7.3804 7.3804 7.6941 7.6941 11.4854 11.4854 11.6579 11.6579 11.9855 11.9855 12.4985 12.4985 k = 0.3237-0.5427-1.0417 ( 3266 PWs) bands (ev): -26.0407 -26.0407 -26.0375 -26.0375 -9.1865 -9.1865 -9.1116 -9.1116 -8.5510 -8.5510 -8.1348 -8.1348 -7.9271 -7.9271 -7.7944 -7.7944 -7.5152 -7.5152 -2.4778 -2.4778 2.7750 2.7750 2.8856 2.8856 3.0451 3.0451 7.3016 7.3016 7.3666 7.3666 7.6954 7.6954 11.4870 11.4870 11.5812 11.5812 12.0506 12.0506 12.5320 12.5320 k = 0.3298-0.5529-1.0613 ( 3264 PWs) bands (ev): -26.0396 -26.0396 -26.0384 -26.0384 -9.1881 -9.1881 -9.1123 -9.1123 -8.5493 -8.5493 -8.1337 -8.1337 -7.9199 -7.9199 -7.7973 -7.7973 -7.5211 -7.5211 -2.4779 -2.4779 2.7921 2.7921 2.8667 2.8667 3.0462 3.0462 7.3125 7.3125 7.3536 7.3536 7.6970 7.6970 11.4653 11.4653 11.5253 11.5253 12.1147 12.1147 12.5699 12.5699 k = 0.3359-0.5632-1.0810 ( 3258 PWs) bands (ev): -26.0394 -26.0394 -26.0386 -26.0386 -9.1904 -9.1904 -9.1127 -9.1127 -8.5473 -8.5473 -8.1320 -8.1320 -7.9134 -7.9134 -7.7988 -7.7988 -7.5273 -7.5273 -2.4782 -2.4782 2.7960 2.7960 2.8627 2.8627 3.0474 3.0474 7.3160 7.3160 7.3474 7.3474 7.6987 7.6987 11.3903 11.3903 11.5209 11.5209 12.1773 12.1773 12.6127 12.6127 k = 0.3420-0.5734-1.1007 ( 3262 PWs) bands (ev): -26.0405 -26.0405 -26.0377 -26.0377 -9.1934 -9.1934 -9.1125 -9.1125 -8.5448 -8.5448 -8.1297 -8.1297 -7.9082 -7.9082 -7.7987 -7.7987 -7.5337 -7.5337 -2.4787 -2.4787 2.7817 2.7817 2.8785 2.8785 3.0486 3.0486 7.3059 7.3059 7.3544 7.3544 7.7005 7.7005 11.3014 11.3014 11.5292 11.5292 12.2376 12.2376 12.6608 12.6608 k = 0.6580-0.4356-1.0171 ( 3262 PWs) bands (ev): -26.0405 -26.0405 -26.0377 -26.0377 -9.1934 -9.1934 -9.1125 -9.1125 -8.5448 -8.5448 -8.1297 -8.1297 -7.9082 -7.9082 -7.7987 -7.7987 -7.5337 -7.5337 -2.4787 -2.4787 2.7817 2.7817 2.8785 2.8785 3.0486 3.0486 7.3059 7.3059 7.3544 7.3544 7.7005 7.7005 11.3014 11.3014 11.5292 11.5292 12.2376 12.2376 12.6608 12.6608 k = 0.6519-0.4136-1.0171 ( 3262 PWs) bands (ev): -26.0415 -26.0415 -26.0368 -26.0368 -9.1973 -9.1973 -9.1119 -9.1119 -8.5419 -8.5419 -8.1270 -8.1270 -7.9043 -7.9043 -7.7968 -7.7968 -7.5402 -7.5402 -2.4792 -2.4792 2.7600 2.7600 2.9031 2.9031 3.0499 3.0499 7.2898 7.2898 7.3673 7.3673 7.7024 7.7024 11.2092 11.2092 11.5407 11.5407 12.2948 12.2948 12.7142 12.7142 k = 0.6459-0.3915-1.0171 ( 3258 PWs) bands (ev): -26.0425 -26.0425 -26.0360 -26.0360 -9.2018 -9.2018 -9.1108 -9.1108 -8.5385 -8.5385 -8.1237 -8.1237 -7.9020 -7.9020 -7.7930 -7.7930 -7.5470 -7.5470 -2.4799 -2.4799 2.7362 2.7362 2.9308 2.9308 3.0514 3.0514 7.2718 7.2718 7.3819 7.3819 7.7044 7.7044 11.1151 11.1151 11.5540 11.5540 12.3490 12.3490 12.7730 12.7730 k = 0.6398-0.3695-1.0171 ( 3260 PWs) bands (ev): -26.0435 -26.0435 -26.0353 -26.0353 -9.2071 -9.2071 -9.1092 -9.1092 -8.5346 -8.5346 -8.1199 -8.1199 -7.9011 -7.9011 -7.7875 -7.7875 -7.5540 -7.5540 -2.4807 -2.4807 2.7120 2.7120 2.9594 2.9594 3.0539 3.0539 7.2531 7.2531 7.3975 7.3975 7.7065 7.7065 11.0201 11.0201 11.5687 11.5687 12.4001 12.4001 12.8370 12.8370 k = 0.6337-0.3474-1.0171 ( 3254 PWs) bands (ev): -26.0445 -26.0445 -26.0346 -26.0346 -9.2130 -9.2130 -9.1074 -9.1074 -8.5302 -8.5302 -8.1157 -8.1157 -7.9014 -7.9014 -7.7806 -7.7806 -7.5613 -7.5613 -2.4816 -2.4816 2.6878 2.6878 2.9867 2.9867 3.0585 3.0585 7.2339 7.2339 7.4138 7.4138 7.7087 7.7087 10.9248 10.9248 11.5846 11.5846 12.4482 12.4482 12.9058 12.9058 k = 0.6276-0.3254-1.0171 ( 3256 PWs) bands (ev): -26.0456 -26.0456 -26.0339 -26.0339 -9.2194 -9.2194 -9.1052 -9.1052 -8.5254 -8.5254 -8.1110 -8.1110 -7.9025 -7.9025 -7.7725 -7.7725 -7.5688 -7.5688 -2.4826 -2.4826 2.6640 2.6640 3.0090 3.0090 3.0688 3.0688 7.2146 7.2146 7.4307 7.4307 7.7108 7.7108 10.8298 10.8298 11.6014 11.6014 12.4938 12.4938 12.9786 12.9786 k = 0.6215-0.3033-1.0171 ( 3252 PWs) bands (ev): -26.0466 -26.0466 -26.0334 -26.0334 -9.2262 -9.2262 -9.1030 -9.1030 -8.5201 -8.5201 -8.1060 -8.1060 -7.9041 -7.9041 -7.7638 -7.7638 -7.5765 -7.5765 -2.4836 -2.4836 2.6407 2.6407 3.0222 3.0222 3.0885 3.0885 7.1954 7.1954 7.4482 7.4482 7.7130 7.7130 10.7358 10.7358 11.6188 11.6188 12.5372 12.5372 13.0548 13.0548 k = 0.6155-0.2813-1.0171 ( 3252 PWs) bands (ev): -26.0476 -26.0476 -26.0328 -26.0328 -9.2333 -9.2333 -9.1006 -9.1006 -8.5145 -8.5145 -8.1007 -8.1007 -7.9060 -7.9060 -7.7546 -7.7546 -7.5844 -7.5844 -2.4847 -2.4847 2.6181 2.6181 3.0277 3.0277 3.1159 3.1159 7.1763 7.1763 7.4662 7.4662 7.7151 7.7151 10.6431 10.6431 11.6368 11.6368 12.5789 12.5789 13.1336 13.1336 k = 0.6094-0.2592-1.0171 ( 3244 PWs) bands (ev): -26.0486 -26.0486 -26.0324 -26.0324 -9.2406 -9.2406 -9.0982 -9.0982 -8.5085 -8.5085 -8.0952 -8.0952 -7.9078 -7.9078 -7.7453 -7.7453 -7.5925 -7.5925 -2.4858 -2.4858 2.5961 2.5961 3.0295 3.0295 3.1469 3.1469 7.1576 7.1576 7.4847 7.4847 7.7173 7.7173 10.5521 10.5521 11.6549 11.6549 12.6194 12.6194 13.2142 13.2142 k = 0.6033-0.2371-1.0171 ( 3244 PWs) bands (ev): -26.0495 -26.0495 -26.0319 -26.0319 -9.2479 -9.2479 -9.0958 -9.0958 -8.5022 -8.5022 -8.0896 -8.0896 -7.9094 -7.9094 -7.7360 -7.7360 -7.6008 -7.6008 -2.4869 -2.4869 2.5749 2.5749 3.0295 3.0295 3.1793 3.1793 7.1393 7.1393 7.5036 7.5036 7.7195 7.7195 10.4634 10.4634 11.6730 11.6730 12.6589 12.6589 13.2957 13.2957 k = 0.5972-0.2151-1.0171 ( 3244 PWs) bands (ev): -26.0504 -26.0504 -26.0315 -26.0315 -9.2553 -9.2553 -9.0935 -9.0935 -8.4957 -8.4957 -8.0839 -8.0839 -7.9106 -7.9106 -7.7270 -7.7270 -7.6091 -7.6091 -2.4881 -2.4881 2.5546 2.5546 3.0286 3.0286 3.2121 3.2121 7.1216 7.1216 7.5229 7.5229 7.7216 7.7216 10.3772 10.3772 11.6908 11.6908 12.6978 12.6978 13.3762 13.3762 k = 0.5912-0.1930-1.0171 ( 3248 PWs) bands (ev): -26.0513 -26.0513 -26.0312 -26.0312 -9.2626 -9.2626 -9.0913 -9.0913 -8.4891 -8.4891 -8.0784 -8.0784 -7.9111 -7.9111 -7.7186 -7.7186 -7.6175 -7.6175 -2.4892 -2.4892 2.5351 2.5351 3.0271 3.0271 3.2446 3.2446 7.1045 7.1045 7.5424 7.5424 7.7237 7.7237 10.2940 10.2940 11.7080 11.7080 12.7362 12.7362 13.3940 13.3940 k = 0.5851-0.1710-1.0171 ( 3252 PWs) bands (ev): -26.0522 -26.0522 -26.0309 -26.0309 -9.2697 -9.2697 -9.0892 -9.0892 -8.4824 -8.4824 -8.0731 -8.0731 -7.9109 -7.9109 -7.7109 -7.7109 -7.6256 -7.6256 -2.4904 -2.4904 2.5166 2.5166 3.0253 3.0253 3.2765 3.2765 7.0882 7.0882 7.5620 7.5620 7.7258 7.7258 10.2140 10.2140 11.7243 11.7243 12.7745 12.7745 13.3579 13.3579 k = 0.5790-0.1489-1.0171 ( 3250 PWs) bands (ev): -26.0530 -26.0530 -26.0306 -26.0306 -9.2766 -9.2766 -9.0873 -9.0873 -8.4757 -8.4757 -8.0682 -8.0682 -7.9097 -7.9097 -7.7045 -7.7045 -7.6332 -7.6332 -2.4915 -2.4915 2.4992 2.4992 3.0232 3.0232 3.3076 3.3076 7.0727 7.0727 7.5816 7.5816 7.7279 7.7279 10.1375 10.1375 11.7395 11.7395 12.8127 12.8127 13.3206 13.3206 k = 0.5729-0.1269-1.0171 ( 3256 PWs) bands (ev): -26.0538 -26.0538 -26.0303 -26.0303 -9.2833 -9.2833 -9.0855 -9.0855 -8.4692 -8.4692 -8.0637 -8.0637 -7.9074 -7.9074 -7.6999 -7.6999 -7.6396 -7.6396 -2.4926 -2.4926 2.4827 2.4827 3.0210 3.0210 3.3374 3.3374 7.0581 7.0581 7.6011 7.6011 7.7301 7.7301 10.0650 10.0650 11.7533 11.7533 12.8508 12.8508 13.2839 13.2839 k = 0.5669-0.1048-1.0171 ( 3260 PWs) bands (ev): -26.0545 -26.0545 -26.0301 -26.0301 -9.2896 -9.2896 -9.0839 -9.0839 -8.4627 -8.4627 -8.0598 -8.0598 -7.9041 -7.9041 -7.6982 -7.6982 -7.6440 -7.6440 -2.4936 -2.4936 2.4674 2.4674 3.0187 3.0187 3.3659 3.3659 7.0444 7.0444 7.6201 7.6201 7.7322 7.7322 9.9966 9.9966 11.7656 11.7656 12.8890 12.8890 13.2487 13.2487 k = 0.5608-0.0828-1.0171 ( 3258 PWs) bands (ev): -26.0552 -26.0552 -26.0299 -26.0299 -9.2955 -9.2955 -9.0825 -9.0825 -8.4566 -8.4566 -8.0565 -8.0565 -7.8995 -7.8995 -7.7000 -7.7000 -7.6456 -7.6456 -2.4946 -2.4946 2.4533 2.4533 3.0164 3.0164 3.3927 3.3927 7.0318 7.0318 7.6384 7.6384 7.7345 7.7345 9.9328 9.9328 11.7761 11.7761 12.9271 12.9271 13.2157 13.2157 k = 0.5547-0.0607-1.0171 ( 3252 PWs) bands (ev): -26.0558 -26.0558 -26.0298 -26.0298 -9.3010 -9.3010 -9.0812 -9.0812 -8.4507 -8.4507 -8.0538 -8.0538 -7.8938 -7.8938 -7.7053 -7.7053 -7.6447 -7.6447 -2.4955 -2.4955 2.4404 2.4404 3.0141 3.0141 3.4177 3.4177 7.0203 7.0203 7.6558 7.6558 7.7370 7.7370 9.8737 9.8737 11.7849 11.7849 12.9649 12.9649 13.1856 13.1856 k = 0.5486-0.0387-1.0171 ( 3246 PWs) bands (ev): -26.0564 -26.0564 -26.0296 -26.0296 -9.3060 -9.3060 -9.0801 -9.0801 -8.4453 -8.4453 -8.0517 -8.0517 -7.8869 -7.8869 -7.7130 -7.7130 -7.6421 -7.6421 -2.4964 -2.4964 2.4287 2.4287 3.0119 3.0119 3.4406 3.4406 7.0098 7.0098 7.6717 7.6717 7.7399 7.7399 9.8198 9.8198 11.7919 11.7919 13.0020 13.0020 13.1587 13.1587 k = 0.5425-0.0166-1.0171 ( 3246 PWs) bands (ev): -26.0569 -26.0569 -26.0295 -26.0295 -9.3105 -9.3105 -9.0791 -9.0791 -8.4403 -8.4403 -8.0502 -8.0502 -7.8790 -7.8790 -7.7224 -7.7224 -7.6388 -7.6388 -2.4972 -2.4972 2.4182 2.4182 3.0099 3.0099 3.4613 3.4613 7.0005 7.0005 7.6858 7.6858 7.7432 7.7432 9.7713 9.7713 11.7972 11.7972 13.0381 13.0381 13.1355 13.1355 k = 0.5365 0.0055-1.0171 ( 3246 PWs) bands (ev): -26.0573 -26.0573 -26.0294 -26.0294 -9.3144 -9.3144 -9.0783 -9.0783 -8.4359 -8.4359 -8.0490 -8.0490 -7.8701 -7.8701 -7.7327 -7.7327 -7.6353 -7.6353 -2.4979 -2.4979 2.4091 2.4091 3.0080 3.0080 3.4796 3.4796 6.9924 6.9924 7.6976 7.6976 7.7474 7.7474 9.7286 9.7286 11.8010 11.8010 13.0721 13.0721 13.1162 13.1162 k = 0.5304 0.0275-1.0171 ( 3246 PWs) bands (ev): -26.0577 -26.0577 -26.0293 -26.0293 -9.3178 -9.3178 -9.0776 -9.0776 -8.4320 -8.4320 -8.0482 -8.0482 -7.8605 -7.8605 -7.7438 -7.7438 -7.6321 -7.6321 -2.4985 -2.4985 2.4014 2.4014 3.0064 3.0064 3.4954 3.4954 6.9855 6.9855 7.7067 7.7067 7.7523 7.7523 9.6918 9.6918 11.8036 11.8036 13.0941 13.0941 13.1101 13.1101 k = 0.5243 0.0496-1.0171 ( 3246 PWs) bands (ev): -26.0580 -26.0580 -26.0292 -26.0292 -9.3206 -9.3206 -9.0771 -9.0771 -8.4288 -8.4288 -8.0477 -8.0477 -7.8502 -7.8502 -7.7552 -7.7552 -7.6293 -7.6293 -2.4990 -2.4990 2.3950 2.3950 3.0050 3.0050 3.5085 3.5085 6.9799 6.9799 7.7131 7.7131 7.7577 7.7577 9.6613 9.6613 11.8051 11.8051 13.0846 13.0846 13.1354 13.1354 k = 0.5182 0.0716-1.0171 ( 3254 PWs) bands (ev): -26.0583 -26.0583 -26.0292 -26.0292 -9.3228 -9.3228 -9.0767 -9.0767 -8.4262 -8.4262 -8.0474 -8.0474 -7.8395 -7.8395 -7.7668 -7.7668 -7.6270 -7.6270 -2.4994 -2.4994 2.3900 2.3900 3.0039 3.0039 3.5188 3.5188 6.9754 6.9754 7.7174 7.7174 7.7629 7.7629 9.6373 9.6373 11.8060 11.8060 13.0752 13.0752 13.1593 13.1593 k = 0.5122 0.0937-1.0171 ( 3248 PWs) bands (ev): -26.0584 -26.0584 -26.0292 -26.0292 -9.3244 -9.3244 -9.0764 -9.0764 -8.4244 -8.4244 -8.0473 -8.0473 -7.8285 -7.8285 -7.7784 -7.7784 -7.6253 -7.6253 -2.4997 -2.4997 2.3864 2.3864 3.0031 3.0031 3.5262 3.5262 6.9723 6.9723 7.7201 7.7201 7.7673 7.7673 9.6200 9.6200 11.8064 11.8064 13.0685 13.0685 13.1776 13.1776 k = 0.5061 0.1157-1.0171 ( 3248 PWs) bands (ev): -26.0585 -26.0585 -26.0291 -26.0291 -9.3254 -9.3254 -9.0762 -9.0762 -8.4233 -8.4233 -8.0472 -8.0472 -7.8178 -7.8178 -7.7895 -7.7895 -7.6243 -7.6243 -2.4998 -2.4998 2.3843 2.3843 3.0026 3.0026 3.5306 3.5306 6.9703 6.9703 7.7215 7.7215 7.7701 7.7701 9.6095 9.6095 11.8065 11.8065 13.0646 13.0646 13.1892 13.1892 k = 0.5000 0.1378-1.0171 ( 3244 PWs) bands (ev): -26.0586 -26.0586 -26.0291 -26.0291 -9.3257 -9.3257 -9.0761 -9.0761 -8.4229 -8.4229 -8.0471 -8.0471 -7.8112 -7.8112 -7.7962 -7.7962 -7.6239 -7.6239 -2.4999 -2.4999 2.3836 2.3836 3.0024 3.0024 3.5321 3.5321 6.9697 6.9697 7.7220 7.7220 7.7711 7.7711 9.6060 9.6060 11.8065 11.8065 13.0633 13.0633 13.1932 13.1932 k = 0.5000 0.1378-1.0171 ( 3244 PWs) bands (ev): -26.0586 -26.0586 -26.0291 -26.0291 -9.3257 -9.3257 -9.0761 -9.0761 -8.4229 -8.4229 -8.0471 -8.0471 -7.8112 -7.8112 -7.7962 -7.7962 -7.6239 -7.6239 -2.4999 -2.4999 2.3836 2.3836 3.0024 3.0024 3.5321 3.5321 6.9697 6.9697 7.7220 7.7220 7.7711 7.7711 9.6060 9.6060 11.8065 11.8065 13.0633 13.0633 13.1932 13.1932 k = 0.5198 0.1432-1.0066 ( 3244 PWs) bands (ev): -26.0586 -26.0586 -26.0291 -26.0291 -9.3254 -9.3254 -9.0761 -9.0761 -8.4236 -8.4236 -8.0471 -8.0471 -7.8187 -7.8187 -7.7882 -7.7882 -7.6240 -7.6240 -2.5000 -2.5000 2.3841 2.3841 3.0025 3.0025 3.5322 3.5322 6.9686 6.9686 7.7217 7.7217 7.7708 7.7708 9.6080 9.6080 11.8065 11.8065 13.0605 13.0605 13.1933 13.1933 k = 0.5395 0.1487-0.9962 ( 3245 PWs) bands (ev): -26.0586 -26.0586 -26.0291 -26.0291 -9.3244 -9.3244 -9.0761 -9.0761 -8.4257 -8.4257 -8.0470 -8.0470 -7.8301 -7.8301 -7.7751 -7.7751 -7.6243 -7.6243 -2.5004 -2.5004 2.3856 2.3856 3.0026 3.0026 3.5326 3.5326 6.9654 6.9654 7.7210 7.7210 7.7702 7.7702 9.6140 9.6140 11.8065 11.8065 13.0526 13.0526 13.1933 13.1933 k = 0.5593 0.1541-0.9857 ( 3245 PWs) bands (ev): -26.0586 -26.0586 -26.0291 -26.0291 -9.3228 -9.3228 -9.0762 -9.0762 -8.4292 -8.4292 -8.0469 -8.0469 -7.8415 -7.8415 -7.7611 -7.7611 -7.6246 -7.6246 -2.5011 -2.5011 2.3881 2.3881 3.0029 3.0029 3.5331 3.5331 6.9600 6.9600 7.7199 7.7199 7.7691 7.7691 9.6239 9.6239 11.8064 11.8064 13.0404 13.0404 13.1921 13.1921 k = 0.5790 0.1596-0.9753 ( 3243 PWs) bands (ev): -26.0587 -26.0587 -26.0292 -26.0292 -9.3206 -9.3206 -9.0762 -9.0762 -8.4340 -8.4340 -8.0467 -8.0467 -7.8523 -7.8523 -7.7466 -7.7466 -7.6251 -7.6251 -2.5020 -2.5020 2.3916 2.3916 3.0033 3.0033 3.5338 3.5338 6.9527 6.9527 7.7182 7.7182 7.7676 7.7676 9.6377 9.6377 11.8062 11.8062 13.0246 13.0246 13.1888 13.1888 k = 0.5988 0.1650-0.9648 ( 3236 PWs) bands (ev): -26.0587 -26.0587 -26.0292 -26.0292 -9.3178 -9.3178 -9.0762 -9.0762 -8.4399 -8.4399 -8.0465 -8.0465 -7.8624 -7.8624 -7.7321 -7.7321 -7.6256 -7.6256 -2.5031 -2.5031 2.3960 2.3960 3.0038 3.0038 3.5347 3.5347 6.9436 6.9436 7.7162 7.7162 7.7657 7.7657 9.6552 9.6552 11.8056 11.8056 13.0057 13.0057 13.1829 13.1829 k = 0.6185 0.1704-0.9544 ( 3241 PWs) bands (ev): -26.0588 -26.0588 -26.0292 -26.0292 -9.3144 -9.3144 -9.0762 -9.0762 -8.4470 -8.4470 -8.0463 -8.0463 -7.8717 -7.8717 -7.7176 -7.7176 -7.6260 -7.6260 -2.5045 -2.5045 2.4012 2.4012 3.0043 3.0043 3.5358 3.5358 6.9328 6.9328 7.7137 7.7137 7.7635 7.7635 9.6765 9.6765 11.8046 11.8046 12.9834 12.9834 13.1745 13.1745 k = 0.6383 0.1759-0.9439 ( 3242 PWs) bands (ev): -26.0589 -26.0589 -26.0292 -26.0292 -9.3104 -9.3104 -9.0763 -9.0763 -8.4551 -8.4551 -8.0462 -8.0462 -7.8803 -7.8803 -7.7035 -7.7035 -7.6261 -7.6261 -2.5060 -2.5060 2.4071 2.4071 3.0049 3.0049 3.5371 3.5371 6.9207 6.9207 7.7109 7.7109 7.7609 7.7609 9.7013 9.7013 11.8030 11.8030 12.9571 12.9571 13.1645 13.1645 k = 0.6580 0.1813-0.9335 ( 3241 PWs) bands (ev): -26.0590 -26.0590 -26.0292 -26.0292 -9.3058 -9.3058 -9.0765 -9.0765 -8.4640 -8.4640 -8.0462 -8.0462 -7.8880 -7.8880 -7.6901 -7.6901 -7.6256 -7.6256 -2.5077 -2.5077 2.4137 2.4137 3.0055 3.0055 3.5385 3.5385 6.9074 6.9074 7.7078 7.7078 7.7580 7.7580 9.7295 9.7295 11.8005 11.8005 12.9262 12.9262 13.1543 13.1543 k = 0.6580 0.1813-0.9335 ( 3241 PWs) bands (ev): -26.0590 -26.0590 -26.0292 -26.0292 -9.3058 -9.3058 -9.0765 -9.0765 -8.4640 -8.4640 -8.0462 -8.0462 -7.8880 -7.8880 -7.6901 -7.6901 -7.6256 -7.6256 -2.5077 -2.5077 2.4137 2.4137 3.0055 3.0055 3.5385 3.5385 6.9074 6.9074 7.7078 7.7078 7.7580 7.7580 9.7295 9.7295 11.8005 11.8005 12.9262 12.9262 13.1543 13.1543 k = 0.6545 0.1804-0.9109 ( 3240 PWs) bands (ev): -26.0596 -26.0596 -26.0292 -26.0292 -9.3061 -9.3061 -9.0752 -9.0752 -8.4654 -8.4654 -8.0451 -8.0451 -7.8785 -7.8785 -7.6970 -7.6970 -7.6239 -7.6239 -2.5083 -2.5083 2.4228 2.4228 3.0022 3.0022 3.5401 3.5401 6.9135 6.9135 7.7050 7.7050 7.7574 7.7574 9.7233 9.7233 11.7906 11.7906 12.9338 12.9338 13.1467 13.1467 k = 0.6510 0.1794-0.8883 ( 3252 PWs) bands (ev): -26.0603 -26.0603 -26.0291 -26.0291 -9.3057 -9.3057 -9.0740 -9.0740 -8.4674 -8.4674 -8.0444 -8.0444 -7.8685 -7.8685 -7.7032 -7.7032 -7.6215 -7.6215 -2.5092 -2.5092 2.4345 2.4345 2.9984 2.9984 3.5424 3.5424 6.9201 6.9201 7.7003 7.7003 7.7562 7.7562 9.7206 9.7206 11.7770 11.7770 12.9421 12.9421 13.1377 13.1377 k = 0.6475 0.1784-0.8657 ( 3248 PWs) bands (ev): -26.0613 -26.0613 -26.0289 -26.0289 -9.3047 -9.3047 -9.0728 -9.0728 -8.4698 -8.4698 -8.0440 -8.0440 -7.8581 -7.8581 -7.7086 -7.7086 -7.6184 -7.6184 -2.5104 -2.5104 2.4489 2.4489 2.9940 2.9940 3.5454 3.5454 6.9274 6.9274 7.6936 7.6936 7.7546 7.7546 9.7215 9.7215 11.7603 11.7603 12.9497 12.9497 13.1276 13.1276 k = 0.6440 0.1775-0.8431 ( 3243 PWs) bands (ev): -26.0624 -26.0624 -26.0288 -26.0288 -9.3031 -9.3031 -9.0716 -9.0716 -8.4726 -8.4726 -8.0437 -8.0437 -7.8478 -7.8478 -7.7132 -7.7132 -7.6144 -7.6144 -2.5118 -2.5118 2.4657 2.4657 2.9890 2.9890 3.5490 3.5490 6.9352 6.9352 7.6848 7.6848 7.7526 7.7526 9.7261 9.7261 11.7411 11.7411 12.9552 12.9552 13.1168 13.1168 k = 0.6405 0.1765-0.8205 ( 3242 PWs) bands (ev): -26.0637 -26.0637 -26.0286 -26.0286 -9.3011 -9.3011 -9.0704 -9.0704 -8.4756 -8.4756 -8.0437 -8.0437 -7.8376 -7.8376 -7.7170 -7.7170 -7.6094 -7.6094 -2.5134 -2.5134 2.4850 2.4850 2.9835 2.9835 3.5532 3.5532 6.9437 6.9437 7.6739 7.6739 7.7503 7.7503 9.7343 9.7343 11.7200 11.7200 12.9564 12.9564 13.1060 13.1060 k = 0.6369 0.1755-0.7979 ( 3242 PWs) bands (ev): -26.0651 -26.0651 -26.0285 -26.0285 -9.2985 -9.2985 -9.0692 -9.0692 -8.4788 -8.4788 -8.0439 -8.0439 -7.8278 -7.8278 -7.7199 -7.7199 -7.6034 -7.6034 -2.5153 -2.5153 2.5066 2.5066 2.9775 2.9775 3.5581 3.5581 6.9528 6.9528 7.6607 7.6607 7.7476 7.7476 9.7462 9.7462 11.6978 11.6978 12.9514 12.9514 13.0954 13.0954 k = 0.6334 0.1745-0.7753 ( 3244 PWs) bands (ev): -26.0667 -26.0667 -26.0284 -26.0284 -9.2956 -9.2956 -9.0680 -9.0680 -8.4822 -8.4822 -8.0442 -8.0442 -7.8186 -7.8186 -7.7219 -7.7219 -7.5964 -7.5964 -2.5175 -2.5175 2.5305 2.5305 2.9710 2.9710 3.5635 3.5635 6.9626 6.9626 7.6455 7.6455 7.7447 7.7447 9.7618 9.7618 11.6749 11.6749 12.9390 12.9390 13.0849 13.0849 k = 0.6299 0.1736-0.7527 ( 3240 PWs) bands (ev): -26.0684 -26.0684 -26.0283 -26.0283 -9.2923 -9.2923 -9.0669 -9.0669 -8.4856 -8.4856 -8.0445 -8.0445 -7.8099 -7.8099 -7.7231 -7.7231 -7.5883 -7.5883 -2.5199 -2.5199 2.5566 2.5566 2.9641 2.9641 3.5695 3.5695 6.9729 6.9729 7.6281 7.6281 7.7414 7.7414 9.7810 9.7810 11.6522 11.6522 12.9188 12.9188 13.0731 13.0731 k = 0.6264 0.1726-0.7301 ( 3244 PWs) bands (ev): -26.0701 -26.0701 -26.0282 -26.0282 -9.2887 -9.2887 -9.0657 -9.0657 -8.4890 -8.4890 -8.0450 -8.0450 -7.8020 -7.8020 -7.7235 -7.7235 -7.5792 -7.5792 -2.5225 -2.5225 2.5848 2.5848 2.9569 2.9569 3.5761 3.5761 6.9838 6.9838 7.6087 7.6087 7.7376 7.7376 9.8038 9.8038 11.6302 11.6302 12.8911 12.8911 13.0583 13.0583 k = 0.6229 0.1716-0.7075 ( 3246 PWs) bands (ev): -26.0720 -26.0720 -26.0282 -26.0282 -9.2849 -9.2849 -9.0646 -9.0646 -8.4924 -8.4924 -8.0455 -8.0455 -7.7946 -7.7946 -7.7231 -7.7231 -7.5691 -7.5691 -2.5254 -2.5254 2.6149 2.6149 2.9493 2.9493 3.5832 3.5832 6.9952 6.9952 7.5875 7.5875 7.7335 7.7335 9.8301 9.8301 11.6094 11.6094 12.8568 12.8568 13.0393 13.0393 k = 0.6194 0.1707-0.6849 ( 3246 PWs) bands (ev): -26.0739 -26.0739 -26.0282 -26.0282 -9.2808 -9.2808 -9.0635 -9.0635 -8.4955 -8.4955 -8.0460 -8.0460 -7.7878 -7.7878 -7.7221 -7.7221 -7.5581 -7.5581 -2.5285 -2.5285 2.6468 2.6468 2.9415 2.9415 3.5908 3.5908 7.0069 7.0069 7.5646 7.5646 7.7289 7.7289 9.8600 9.8600 11.5903 11.5903 12.8163 12.8163 13.0154 13.0154 k = 0.6159 0.1697-0.6623 ( 3250 PWs) bands (ev): -26.0759 -26.0759 -26.0283 -26.0283 -9.2767 -9.2767 -9.0625 -9.0625 -8.4984 -8.4984 -8.0466 -8.0466 -7.7814 -7.7814 -7.7205 -7.7205 -7.5463 -7.5463 -2.5319 -2.5319 2.6805 2.6805 2.9337 2.9337 3.5989 3.5989 7.0187 7.0187 7.5402 7.5402 7.7239 7.7239 9.8933 9.8933 11.5735 11.5735 12.7703 12.7703 12.9870 12.9870 k = 0.6124 0.1687-0.6397 ( 3246 PWs) bands (ev): -26.0779 -26.0779 -26.0284 -26.0284 -9.2724 -9.2724 -9.0616 -9.0616 -8.5010 -8.5010 -8.0471 -8.0471 -7.7753 -7.7753 -7.7184 -7.7184 -7.5339 -7.5339 -2.5356 -2.5356 2.7156 2.7156 2.9258 2.9258 3.6074 3.6074 7.0304 7.0304 7.5145 7.5145 7.7184 7.7184 9.9299 9.9299 11.5593 11.5593 12.7192 12.7192 12.9549 12.9549 k = 0.6089 0.1678-0.6171 ( 3250 PWs) bands (ev): -26.0800 -26.0800 -26.0285 -26.0285 -9.2681 -9.2681 -9.0608 -9.0608 -8.5033 -8.5033 -8.0477 -8.0477 -7.7693 -7.7693 -7.7159 -7.7159 -7.5210 -7.5210 -2.5396 -2.5396 2.7519 2.7519 2.9183 2.9183 3.6163 3.6163 7.0416 7.0416 7.4881 7.4881 7.7124 7.7124 9.9697 9.9697 11.5480 11.5480 12.6638 12.6638 12.9201 12.9201 k = 0.6053 0.1668-0.5945 ( 3248 PWs) bands (ev): -26.0822 -26.0822 -26.0287 -26.0287 -9.2639 -9.2639 -9.0602 -9.0602 -8.5051 -8.5051 -8.0481 -8.0481 -7.7635 -7.7635 -7.7130 -7.7130 -7.5077 -7.5077 -2.5439 -2.5439 2.7889 2.7889 2.9116 2.9116 3.6256 3.6256 7.0518 7.0518 7.4614 7.4614 7.7059 7.7059 10.0126 10.0126 11.5399 11.5399 12.6050 12.6050 12.8833 12.8833 k = 0.6018 0.1658-0.5719 ( 3244 PWs) bands (ev): -26.0843 -26.0843 -26.0289 -26.0289 -9.2597 -9.2597 -9.0597 -9.0597 -8.5065 -8.5065 -8.0486 -8.0486 -7.7576 -7.7576 -7.7097 -7.7097 -7.4942 -7.4942 -2.5484 -2.5484 2.8249 2.8249 2.9072 2.9072 3.6353 3.6353 7.0603 7.0603 7.4352 7.4352 7.6990 7.6990 10.0584 10.0584 11.5352 11.5352 12.5435 12.5435 12.8451 12.8451 k = 0.5983 0.1649-0.5493 ( 3243 PWs) bands (ev): -26.0865 -26.0865 -26.0291 -26.0291 -9.2557 -9.2557 -9.0594 -9.0594 -8.5074 -8.5074 -8.0489 -8.0489 -7.7517 -7.7517 -7.7061 -7.7061 -7.4805 -7.4805 -2.5533 -2.5533 2.8540 2.8540 2.9111 2.9111 3.6452 3.6452 7.0661 7.0661 7.4104 7.4104 7.6916 7.6916 10.1070 10.1070 11.5340 11.5340 12.4803 12.4803 12.8059 12.8059 k = 0.5948 0.1639-0.5267 ( 3241 PWs) bands (ev): -26.0887 -26.0887 -26.0294 -26.0294 -9.2518 -9.2518 -9.0593 -9.0593 -8.5077 -8.5077 -8.0492 -8.0492 -7.7458 -7.7458 -7.7022 -7.7022 -7.4668 -7.4668 -2.5585 -2.5585 2.8652 2.8652 2.9343 2.9343 3.6554 3.6554 7.0680 7.0680 7.3884 7.3884 7.6838 7.6838 10.1580 10.1580 11.5364 11.5364 12.4162 12.4162 12.7659 12.7659 k = 0.5913 0.1629-0.5041 ( 3249 PWs) bands (ev): -26.0909 -26.0909 -26.0298 -26.0298 -9.2481 -9.2481 -9.0594 -9.0594 -8.5076 -8.5076 -8.0494 -8.0494 -7.7398 -7.7398 -7.6978 -7.6978 -7.4532 -7.4532 -2.5640 -2.5640 2.8637 2.8637 2.9714 2.9714 3.6659 3.6659 7.0647 7.0647 7.3705 7.3705 7.6756 7.6756 10.2113 10.2113 11.5423 11.5423 12.3520 12.3520 12.7254 12.7254 k = 0.5878 0.1620-0.4815 ( 3242 PWs) bands (ev): -26.0930 -26.0930 -26.0301 -26.0301 -9.2446 -9.2446 -9.0598 -9.0598 -8.5069 -8.5069 -8.0494 -8.0494 -7.7339 -7.7339 -7.6931 -7.6931 -7.4397 -7.4397 -2.5699 -2.5699 2.8587 2.8587 3.0132 3.0132 3.6765 3.6765 7.0550 7.0550 7.3579 7.3579 7.6671 7.6671 10.2667 10.2667 11.5516 11.5516 12.2885 12.2885 12.6844 12.6844 k = 0.5843 0.1610-0.4589 ( 3244 PWs) bands (ev): -26.0952 -26.0952 -26.0305 -26.0305 -9.2414 -9.2414 -9.0604 -9.0604 -8.5056 -8.5056 -8.0494 -8.0494 -7.7280 -7.7280 -7.6879 -7.6879 -7.4264 -7.4264 -2.5760 -2.5760 2.8528 2.8528 3.0569 3.0569 3.6872 3.6872 7.0385 7.0385 7.3511 7.3511 7.6582 7.6582 10.3236 10.3236 11.5642 11.5642 12.2263 12.2263 12.6432 12.6432 k = 0.5808 0.1600-0.4363 ( 3246 PWs) bands (ev): -26.0974 -26.0974 -26.0309 -26.0309 -9.2383 -9.2383 -9.0612 -9.0612 -8.5038 -8.5038 -8.0493 -8.0493 -7.7222 -7.7222 -7.6823 -7.6823 -7.4134 -7.4134 -2.5825 -2.5825 2.8468 2.8468 3.1018 3.1018 3.6980 3.6980 7.0156 7.0156 7.3498 7.3498 7.6490 7.6490 10.3819 10.3819 11.5796 11.5796 12.1661 12.1661 12.6021 12.6021 k = 0.5772 0.1591-0.4137 ( 3246 PWs) bands (ev): -26.0995 -26.0995 -26.0313 -26.0313 -9.2356 -9.2356 -9.0622 -9.0622 -8.5015 -8.5015 -8.0491 -8.0491 -7.7166 -7.7166 -7.6762 -7.6762 -7.4007 -7.4007 -2.5892 -2.5892 2.8411 2.8411 3.1473 3.1473 3.7089 3.7089 6.9872 6.9872 7.3531 7.3531 7.6395 7.6395 10.4410 10.4410 11.5974 11.5974 12.1089 12.1089 12.5615 12.5615 k = 0.5737 0.1581-0.3911 ( 3240 PWs) bands (ev): -26.1015 -26.1015 -26.0318 -26.0318 -9.2331 -9.2331 -9.0635 -9.0635 -8.4988 -8.4988 -8.0487 -8.0487 -7.7112 -7.7112 -7.6696 -7.6696 -7.3883 -7.3883 -2.5962 -2.5962 2.8358 2.8358 3.1931 3.1931 3.7197 3.7197 6.9547 6.9547 7.3597 7.3597 7.6299 7.6299 10.5003 10.5003 11.6166 11.6166 12.0556 12.0556 12.5217 12.5217 k = 0.5702 0.1571-0.3685 ( 3245 PWs) bands (ev): -26.1036 -26.1036 -26.0322 -26.0322 -9.2309 -9.2309 -9.0650 -9.0650 -8.4957 -8.4957 -8.0483 -8.0483 -7.7060 -7.7060 -7.6627 -7.6627 -7.3764 -7.3764 -2.6034 -2.6034 2.8309 2.8309 3.2391 3.2391 3.7305 3.7305 6.9193 6.9193 7.3686 7.3686 7.6201 7.6201 10.5592 10.5592 11.6364 11.6364 12.0074 12.0074 12.4836 12.4836 k = 0.5667 0.1562-0.3459 ( 3244 PWs) bands (ev): -26.1056 -26.1056 -26.0327 -26.0327 -9.2289 -9.2289 -9.0666 -9.0666 -8.4922 -8.4922 -8.0478 -8.0478 -7.7010 -7.7010 -7.6554 -7.6554 -7.3648 -7.3648 -2.6109 -2.6109 2.8265 2.8265 3.2851 3.2851 3.7412 3.7412 6.8819 6.8819 7.3789 7.3789 7.6102 7.6102 10.6168 10.6168 11.6551 11.6551 11.9656 11.9656 12.4481 12.4481 k = 0.5632 0.1552-0.3233 ( 3235 PWs) bands (ev): -26.1075 -26.1075 -26.0332 -26.0332 -9.2272 -9.2272 -9.0684 -9.0684 -8.4883 -8.4883 -8.0472 -8.0472 -7.6962 -7.6962 -7.6478 -7.6478 -7.3538 -7.3538 -2.6185 -2.6185 2.8227 2.8227 3.3307 3.3307 3.7518 3.7518 6.8433 6.8433 7.3899 7.3899 7.6003 7.6003 10.6721 10.6721 11.6710 11.6710 11.9320 11.9320 12.4166 12.4166 k = 0.5597 0.1542-0.3007 ( 3228 PWs) bands (ev): -26.1093 -26.1093 -26.0336 -26.0336 -9.2257 -9.2257 -9.0704 -9.0704 -8.4843 -8.4843 -8.0465 -8.0465 -7.6916 -7.6916 -7.6400 -7.6400 -7.3432 -7.3432 -2.6262 -2.6262 2.8195 2.8195 3.3759 3.3759 3.7623 3.7623 6.8042 6.8042 7.4011 7.4011 7.5905 7.5905 10.7239 10.7239 11.6825 11.6825 11.9078 11.9078 12.3907 12.3907 k = 0.5562 0.1533-0.2780 ( 3230 PWs) bands (ev): -26.1111 -26.1111 -26.0341 -26.0341 -9.2244 -9.2244 -9.0725 -9.0725 -8.4801 -8.4801 -8.0458 -8.0458 -7.6871 -7.6871 -7.6321 -7.6321 -7.3331 -7.3331 -2.6339 -2.6339 2.8168 2.8168 3.4203 3.4203 3.7725 3.7725 6.7651 6.7651 7.4121 7.4121 7.5807 7.5807 10.7707 10.7707 11.6895 11.6895 11.8925 11.8925 12.3726 12.3726 k = 0.5527 0.1523-0.2554 ( 3220 PWs) bands (ev): -26.1128 -26.1128 -26.0346 -26.0346 -9.2233 -9.2233 -9.0746 -9.0746 -8.4757 -8.4757 -8.0450 -8.0450 -7.6829 -7.6829 -7.6242 -7.6242 -7.3236 -7.3236 -2.6417 -2.6417 2.8146 2.8146 3.4638 3.4638 3.7825 3.7825 6.7263 6.7263 7.4226 7.4226 7.5712 7.5712 10.8112 10.8112 11.6940 11.6940 11.8837 11.8837 12.3643 12.3643 k = 0.5492 0.1513-0.2328 ( 3217 PWs) bands (ev): -26.1145 -26.1145 -26.0350 -26.0350 -9.2224 -9.2224 -9.0768 -9.0768 -8.4713 -8.4713 -8.0442 -8.0442 -7.6788 -7.6788 -7.6163 -7.6163 -7.3145 -7.3145 -2.6494 -2.6494 2.8129 2.8129 3.5060 3.5060 3.7922 3.7922 6.6884 6.6884 7.4325 7.4325 7.5618 7.5618 10.8439 10.8439 11.6996 11.6996 11.8776 11.8776 12.3675 12.3675 k = 0.5456 0.1504-0.2102 ( 3214 PWs) bands (ev): -26.1160 -26.1160 -26.0354 -26.0354 -9.2217 -9.2217 -9.0790 -9.0790 -8.4669 -8.4669 -8.0434 -8.0434 -7.6750 -7.6750 -7.6086 -7.6086 -7.3060 -7.3060 -2.6570 -2.6570 2.8117 2.8117 3.5467 3.5467 3.8017 3.8017 6.6516 6.6516 7.4416 7.4416 7.5528 7.5528 10.8678 10.8678 11.7089 11.7089 11.8718 11.8718 12.3830 12.3830 k = 0.5421 0.1494-0.1876 ( 3219 PWs) bands (ev): -26.1175 -26.1175 -26.0359 -26.0359 -9.2211 -9.2211 -9.0811 -9.0811 -8.4626 -8.4626 -8.0426 -8.0426 -7.6713 -7.6713 -7.6012 -7.6012 -7.2981 -7.2981 -2.6645 -2.6645 2.8109 2.8109 3.5857 3.5857 3.8109 3.8109 6.6162 6.6162 7.4498 7.4498 7.5442 7.5442 10.8828 10.8828 11.7225 11.7225 11.8667 11.8667 12.4102 12.4102 k = 0.5386 0.1484-0.1650 ( 3225 PWs) bands (ev): -26.1188 -26.1188 -26.0363 -26.0363 -9.2207 -9.2207 -9.0832 -9.0832 -8.4585 -8.4585 -8.0418 -8.0418 -7.6678 -7.6678 -7.5940 -7.5940 -7.2908 -7.2908 -2.6716 -2.6716 2.8105 2.8105 3.6225 3.6225 3.8198 3.8198 6.5825 6.5825 7.4571 7.4571 7.5360 7.5360 10.8893 10.8893 11.7366 11.7366 11.8666 11.8666 12.4474 12.4474 k = 0.5351 0.1475-0.1424 ( 3225 PWs) bands (ev): -26.1201 -26.1201 -26.0366 -26.0366 -9.2204 -9.2204 -9.0853 -9.0853 -8.4545 -8.4545 -8.0410 -8.0410 -7.6646 -7.6646 -7.5872 -7.5872 -7.2840 -7.2840 -2.6785 -2.6785 2.8104 2.8104 3.6569 3.6569 3.8285 3.8285 6.5507 6.5507 7.4634 7.4634 7.5283 7.5283 10.8887 10.8887 11.7443 11.7443 11.8791 11.8791 12.4925 12.4925 k = 0.5316 0.1465-0.1198 ( 3219 PWs) bands (ev): -26.1212 -26.1212 -26.0370 -26.0370 -9.2201 -9.2201 -9.0872 -9.0872 -8.4507 -8.4507 -8.0402 -8.0402 -7.6616 -7.6616 -7.5808 -7.5808 -7.2779 -7.2779 -2.6849 -2.6849 2.8105 2.8105 3.6886 3.6886 3.8371 3.8371 6.5212 6.5212 7.4688 7.4688 7.5212 7.5212 10.8826 10.8826 11.7414 11.7414 11.9082 11.9082 12.5427 12.5427 k = 0.5281 0.1455-0.0972 ( 3231 PWs) bands (ev): -26.1223 -26.1223 -26.0373 -26.0373 -9.2200 -9.2200 -9.0890 -9.0890 -8.4472 -8.4472 -8.0395 -8.0395 -7.6589 -7.6589 -7.5750 -7.5750 -7.2723 -7.2723 -2.6909 -2.6909 2.8108 2.8108 3.7170 3.7170 3.8456 3.8456 6.4941 6.4941 7.4733 7.4733 7.5148 7.5148 10.8728 10.8728 11.7309 11.7309 11.9502 11.9502 12.5827 12.5827 k = 0.5246 0.1446-0.0746 ( 3225 PWs) bands (ev): -26.1232 -26.1232 -26.0376 -26.0376 -9.2199 -9.2199 -9.0906 -9.0906 -8.4441 -8.4441 -8.0388 -8.0388 -7.6564 -7.6564 -7.5696 -7.5696 -7.2674 -7.2674 -2.6963 -2.6963 2.8113 2.8113 3.7420 3.7420 3.8540 3.8540 6.4696 6.4696 7.4769 7.4769 7.5090 7.5090 10.8609 10.8609 11.7171 11.7171 12.0003 12.0003 12.5774 12.5774 k = 0.5211 0.1436-0.0520 ( 3219 PWs) bands (ev): -26.1240 -26.1240 -26.0378 -26.0378 -9.2198 -9.2198 -9.0921 -9.0921 -8.4412 -8.4412 -8.0382 -8.0382 -7.6542 -7.6542 -7.5649 -7.5649 -7.2631 -7.2631 -2.7012 -2.7012 2.8118 2.8118 3.7631 3.7631 3.8625 3.8625 6.4479 6.4479 7.4796 7.4796 7.5041 7.5041 10.8482 10.8482 11.7028 11.7028 12.0548 12.0548 12.5698 12.5698 k = 0.5176 0.1426-0.0294 ( 3219 PWs) bands (ev): -26.1247 -26.1247 -26.0380 -26.0380 -9.2198 -9.2198 -9.0934 -9.0934 -8.4388 -8.4388 -8.0377 -8.0377 -7.6523 -7.6523 -7.5609 -7.5609 -7.2595 -7.2595 -2.7054 -2.7054 2.8123 2.8123 3.7802 3.7802 3.8709 3.8709 6.4293 6.4293 7.4816 7.4816 7.5001 7.5001 10.8359 10.8359 11.6893 11.6893 12.1112 12.1112 12.5632 12.5632 k = 0.5140 0.1417-0.0068 ( 3221 PWs) bands (ev): -26.1252 -26.1252 -26.0382 -26.0382 -9.2198 -9.2198 -9.0944 -9.0944 -8.4368 -8.4368 -8.0373 -8.0373 -7.6508 -7.6508 -7.5575 -7.5575 -7.2565 -7.2565 -2.7089 -2.7089 2.8128 2.8128 3.7935 3.7935 3.8789 3.8789 6.4138 6.4138 7.4827 7.4827 7.4972 7.4972 10.8248 10.8248 11.6775 11.6775 12.1675 12.1675 12.5578 12.5578 k = 0.5105 0.1407 0.0158 ( 3220 PWs) bands (ev): -26.1257 -26.1257 -26.0384 -26.0384 -9.2198 -9.2198 -9.0953 -9.0953 -8.4352 -8.4352 -8.0370 -8.0370 -7.6496 -7.6496 -7.5548 -7.5548 -7.2542 -7.2542 -2.7117 -2.7117 2.8133 2.8133 3.8031 3.8031 3.8860 3.8860 6.4016 6.4016 7.4830 7.4830 7.4953 7.4953 10.8156 10.8156 11.6680 11.6680 12.2216 12.2216 12.5535 12.5535 k = 0.5070 0.1397 0.0384 ( 3222 PWs) bands (ev): -26.1260 -26.1260 -26.0385 -26.0385 -9.2198 -9.2198 -9.0959 -9.0959 -8.4340 -8.4340 -8.0367 -8.0367 -7.6487 -7.6487 -7.5529 -7.5529 -7.2525 -7.2525 -2.7137 -2.7137 2.8136 2.8136 3.8096 3.8096 3.8916 3.8916 6.3928 6.3928 7.4828 7.4828 7.4943 7.4943 10.8086 10.8086 11.6609 11.6609 12.2700 12.2700 12.5497 12.5497 k = 0.5035 0.1387 0.0610 ( 3224 PWs) bands (ev): -26.1262 -26.1262 -26.0385 -26.0385 -9.2198 -9.2198 -9.0962 -9.0962 -8.4333 -8.4333 -8.0366 -8.0366 -7.6482 -7.6482 -7.5517 -7.5517 -7.2515 -7.2515 -2.7149 -2.7149 2.8138 2.8138 3.8133 3.8133 3.8952 3.8952 6.3874 6.3874 7.4825 7.4825 7.4938 7.4938 10.8044 10.8044 11.6567 11.6567 12.3067 12.3067 12.5446 12.5446 k = 0.5000 0.1378 0.0836 ( 3226 PWs) bands (ev): -26.1263 -26.1263 -26.0385 -26.0385 -9.2198 -9.2198 -9.0964 -9.0964 -8.4331 -8.4331 -8.0365 -8.0365 -7.6480 -7.6480 -7.5513 -7.5513 -7.2511 -7.2511 -2.7153 -2.7153 2.8139 2.8139 3.8145 3.8145 3.8964 3.8964 6.3857 6.3857 7.4824 7.4824 7.4937 7.4937 10.8029 10.8029 11.6552 11.6552 12.3212 12.3212 12.5395 12.5395 k = 0.5000-0.8383-0.5085 ( 3254 PWs) bands (ev): -26.0580 -26.0580 -26.0297 -26.0297 -9.1962 -9.1962 -9.1203 -9.1203 -8.5876 -8.5876 -8.0690 -8.0690 -7.9546 -7.9546 -7.6542 -7.6542 -7.5122 -7.5122 -2.5292 -2.5292 2.4606 2.4606 3.0403 3.0403 3.5528 3.5528 6.6776 6.6776 7.6710 7.6710 7.7145 7.7145 10.4420 10.4420 11.4011 11.4011 12.4709 12.4709 13.1559 13.1559 k = 0.5198-0.8297-0.5033 ( 3253 PWs) bands (ev): -26.0580 -26.0580 -26.0297 -26.0297 -9.1975 -9.1975 -9.1194 -9.1194 -8.5869 -8.5869 -8.0688 -8.0688 -7.9544 -7.9544 -7.6541 -7.6541 -7.5130 -7.5130 -2.5291 -2.5291 2.4603 2.4603 3.0401 3.0401 3.5527 3.5527 6.6789 6.6789 7.6712 7.6712 7.7147 7.7147 10.4344 10.4344 11.4088 11.4088 12.4716 12.4716 13.1555 13.1555 k = 0.5395-0.8211-0.4981 ( 3255 PWs) bands (ev): -26.0580 -26.0580 -26.0297 -26.0297 -9.2011 -9.2011 -9.1171 -9.1171 -8.5846 -8.5846 -8.0683 -8.0683 -7.9541 -7.9541 -7.6538 -7.6538 -7.5152 -7.5152 -2.5287 -2.5287 2.4595 2.4595 3.0394 3.0394 3.5524 3.5524 6.6829 6.6829 7.6718 7.6718 7.7155 7.7155 10.4123 10.4123 11.4307 11.4307 12.4739 12.4739 13.1543 13.1543 k = 0.5593-0.8125-0.4929 ( 3253 PWs) bands (ev): -26.0580 -26.0580 -26.0297 -26.0297 -9.2067 -9.2067 -9.1136 -9.1136 -8.5810 -8.5810 -8.0674 -8.0674 -7.9535 -7.9535 -7.6534 -7.6534 -7.5188 -7.5188 -2.5281 -2.5281 2.4582 2.4582 3.0382 3.0382 3.5520 3.5520 6.6895 6.6895 7.6729 7.6729 7.7167 7.7167 10.3780 10.3780 11.4643 11.4643 12.4782 12.4782 13.1523 13.1523 k = 0.5790-0.8039-0.4876 ( 3245 PWs) bands (ev): -26.0581 -26.0581 -26.0297 -26.0297 -9.2135 -9.2135 -9.1096 -9.1096 -8.5759 -8.5759 -8.0662 -8.0662 -7.9526 -7.9526 -7.6527 -7.6527 -7.5239 -7.5239 -2.5272 -2.5272 2.4564 2.4564 3.0367 3.0367 3.5514 3.5514 6.6985 6.6985 7.6744 7.6744 7.7184 7.7184 10.3344 10.3344 11.5060 11.5060 12.4854 12.4854 13.1499 13.1499 k = 0.5988-0.7953-0.4824 ( 3247 PWs) bands (ev): -26.0581 -26.0581 -26.0297 -26.0297 -9.2213 -9.2213 -9.1053 -9.1053 -8.5696 -8.5696 -8.0647 -8.0647 -7.9513 -7.9513 -7.6520 -7.6520 -7.5304 -7.5304 -2.5261 -2.5261 2.4540 2.4540 3.0347 3.0347 3.5506 3.5506 6.7099 6.7099 7.6763 7.6763 7.7206 7.7206 10.2842 10.2842 11.5521 11.5521 12.4964 12.4964 13.1471 13.1471 k = 0.6185-0.7867-0.4772 ( 3247 PWs) bands (ev): -26.0582 -26.0582 -26.0296 -26.0296 -9.2297 -9.2297 -9.1010 -9.1010 -8.5622 -8.5622 -8.0630 -8.0630 -7.9496 -7.9496 -7.6511 -7.6511 -7.5382 -7.5382 -2.5249 -2.5249 2.4513 2.4513 3.0325 3.0325 3.5497 3.5497 6.7233 6.7233 7.6785 7.6785 7.7231 7.7231 10.2299 10.2299 11.5992 11.5992 12.5123 12.5123 13.1443 13.1443 k = 0.6383-0.7781-0.4720 ( 3249 PWs) bands (ev): -26.0582 -26.0582 -26.0296 -26.0296 -9.2384 -9.2384 -9.0970 -9.0970 -8.5538 -8.5538 -8.0610 -8.0610 -7.9474 -7.9474 -7.6502 -7.6502 -7.5472 -7.5472 -2.5234 -2.5234 2.4482 2.4482 3.0299 3.0299 3.5487 3.5487 6.7386 6.7386 7.6809 7.6809 7.7261 7.7261 10.1734 10.1734 11.6443 11.6443 12.5342 12.5342 13.1415 13.1415 k = 0.6580-0.7695-0.4667 ( 3248 PWs) bands (ev): -26.0583 -26.0583 -26.0296 -26.0296 -9.2472 -9.2472 -9.0932 -9.0932 -8.5446 -8.5446 -8.0590 -8.0590 -7.9446 -7.9446 -7.6493 -7.6493 -7.5574 -7.5574 -2.5218 -2.5218 2.4447 2.4447 3.0272 3.0272 3.5476 3.5476 6.7555 6.7555 7.6837 7.6837 7.7293 7.7293 10.1160 10.1160 11.6850 11.6850 12.5630 12.5630 13.1391 13.1391 k = 0.6778-0.7608-0.4615 ( 3244 PWs) bands (ev): -26.0583 -26.0583 -26.0295 -26.0295 -9.2559 -9.2559 -9.0898 -9.0898 -8.5348 -8.5348 -8.0569 -8.0569 -7.9411 -7.9411 -7.6485 -7.6485 -7.5686 -7.5686 -2.5201 -2.5201 2.4410 2.4410 3.0243 3.0243 3.5465 3.5465 6.7737 6.7737 7.6866 7.6866 7.7328 7.7328 10.0590 10.0590 11.7197 11.7197 12.5989 12.5989 13.1372 13.1372 k = 0.6975-0.7522-0.4563 ( 3243 PWs) bands (ev): -26.0584 -26.0584 -26.0295 -26.0295 -9.2644 -9.2644 -9.0868 -9.0868 -8.5245 -8.5245 -8.0548 -8.0548 -7.9367 -7.9367 -7.6480 -7.6480 -7.5806 -7.5806 -2.5183 -2.5183 2.4370 2.4370 3.0214 3.0214 3.5453 3.5453 6.7928 6.7928 7.6898 7.6898 7.7365 7.7365 10.0032 10.0032 11.7476 11.7476 12.6413 12.6413 13.1361 13.1361 k = 0.7173-0.7436-0.4511 ( 3245 PWs) bands (ev): -26.0585 -26.0585 -26.0295 -26.0295 -9.2726 -9.2726 -9.0842 -9.0842 -8.5140 -8.5140 -8.0528 -8.0528 -7.9314 -7.9314 -7.6481 -7.6481 -7.5930 -7.5930 -2.5164 -2.5164 2.4330 2.4330 3.0184 3.0184 3.5440 3.5440 6.8126 6.8126 7.6929 7.6929 7.7403 7.7403 9.9494 9.9494 11.7686 11.7686 12.6890 12.6890 13.1359 13.1359 k = 0.7370-0.7350-0.4459 ( 3241 PWs) bands (ev): -26.0586 -26.0586 -26.0294 -26.0294 -9.2803 -9.2803 -9.0820 -9.0820 -8.5034 -8.5034 -8.0510 -8.0510 -7.9251 -7.9251 -7.6495 -7.6495 -7.6049 -7.6049 -2.5146 -2.5146 2.4289 2.4289 3.0155 3.0155 3.5428 3.5428 6.8326 6.8326 7.6962 7.6962 7.7442 7.7442 9.8982 9.8982 11.7834 11.7834 12.7398 12.7398 13.1368 13.1368 k = 0.7568-0.7264-0.4406 ( 3241 PWs) bands (ev): -26.0587 -26.0587 -26.0294 -26.0294 -9.2876 -9.2876 -9.0802 -9.0802 -8.4929 -8.4929 -8.0494 -8.0494 -7.9176 -7.9176 -7.6537 -7.6537 -7.6150 -7.6150 -2.5127 -2.5127 2.4248 2.4248 3.0128 3.0128 3.5416 3.5416 6.8524 6.8524 7.6993 7.6993 7.7479 7.7479 9.8502 9.8502 11.7929 11.7929 12.7913 12.7913 13.1391 13.1391 k = 0.7765-0.7178-0.4354 ( 3237 PWs) bands (ev): -26.0588 -26.0588 -26.0293 -26.0293 -9.2943 -9.2943 -9.0786 -9.0786 -8.4827 -8.4827 -8.0480 -8.0480 -7.9089 -7.9089 -7.6622 -7.6622 -7.6215 -7.6215 -2.5109 -2.5109 2.4209 2.4209 3.0101 3.0101 3.5405 3.5405 6.8717 6.8717 7.7024 7.7024 7.7516 7.7516 9.8058 9.8058 11.7983 11.7983 12.8409 12.8409 13.1428 13.1428 k = 0.7963-0.7092-0.4302 ( 3239 PWs) bands (ev): -26.0589 -26.0589 -26.0293 -26.0293 -9.3004 -9.3004 -9.0774 -9.0774 -8.4730 -8.4730 -8.0470 -8.0470 -7.8991 -7.8991 -7.6748 -7.6748 -7.6246 -7.6246 -2.5092 -2.5092 2.4172 2.4172 3.0077 3.0077 3.5394 3.5394 6.8902 6.8902 7.7052 7.7052 7.7549 7.7549 9.7655 9.7655 11.8005 11.8005 12.8864 12.8864 13.1479 13.1479 k = 0.8160-0.7006-0.4250 ( 3241 PWs) bands (ev): -26.0590 -26.0590 -26.0292 -26.0292 -9.3058 -9.3058 -9.0765 -9.0765 -8.4640 -8.4640 -8.0462 -8.0462 -7.8880 -7.8880 -7.6901 -7.6901 -7.6256 -7.6256 -2.5077 -2.5077 2.4137 2.4137 3.0055 3.0055 3.5385 3.5385 6.9074 6.9074 7.7078 7.7078 7.7580 7.7580 9.7295 9.7295 11.8005 11.8005 12.9262 12.9262 13.1543 13.1543 Writing output data file Sr2NCl.save init_run : 0.38s CPU 0.68s WALL ( 1 calls) electrons : 151.84s CPU 154.53s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.13s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 151.84s CPU 154.53s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 313 calls) cegterg : 137.18s CPU 138.72s WALL ( 405 calls) Called by sum_band: Called by *egterg: h_psi : 103.23s CPU 104.40s WALL ( 6779 calls) s_psi : 2.56s CPU 2.74s WALL ( 6779 calls) g_psi : 0.16s CPU 0.13s WALL ( 6061 calls) cdiaghg : 34.59s CPU 34.97s WALL ( 6374 calls) cegterg:over : 2.90s CPU 3.01s WALL ( 6061 calls) cegterg:upda : 2.66s CPU 2.73s WALL ( 6061 calls) cegterg:last : 1.28s CPU 1.23s WALL ( 1033 calls) cdiaghg:chol : 2.03s CPU 1.98s WALL ( 6374 calls) cdiaghg:inve : 1.18s CPU 1.13s WALL ( 6374 calls) cdiaghg:para : 1.80s CPU 2.00s WALL ( 12748 calls) Called by h_psi: h_psi:vloc : 96.70s CPU 98.03s WALL ( 6779 calls) h_psi:vnl : 6.39s CPU 6.25s WALL ( 6779 calls) add_vuspsi : 3.31s CPU 3.27s WALL ( 6779 calls) General routines calbec : 3.06s CPU 2.96s WALL ( 6779 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 88.13s CPU 89.35s WALL ( 556284 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.13s WALL ( 626 calls) Parallel routines fft_scatter : 23.24s CPU 23.41s WALL ( 556307 calls) PWSCF : 2m44.11s CPU 3m13.59s WALL This run was terminated on: 17:14:54 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=