Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:42: 0 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./CdCuSb.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 86 24 7 3156 479 75 Max 87 25 8 3159 493 79 Sum 3103 889 253 113683 17477 2741 bravais-lattice index = 14 lattice parameter (alat) = 8.3849 a.u. unit-cell volume = 416.8480 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.384894 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 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 1243 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 Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) Sb 5.00 121.76000 Sb( 1.00) Cu 11.00 63.54600 Cu( 1.00) 6 Sym. Ops. (no 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 337 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0098039 -0.0056603 0.0080049), wk = 0.0029674 k( 3) = ( 0.0196078 -0.0113206 0.0160097), wk = 0.0029674 k( 4) = ( 0.0294118 -0.0169809 0.0240146), wk = 0.0029674 k( 5) = ( 0.0392157 -0.0226412 0.0320195), wk = 0.0029674 k( 6) = ( 0.0490196 -0.0283015 0.0400243), wk = 0.0029674 k( 7) = ( 0.0588235 -0.0339618 0.0480292), wk = 0.0029674 k( 8) = ( 0.0686275 -0.0396221 0.0560341), wk = 0.0029674 k( 9) = ( 0.0784314 -0.0452824 0.0640389), wk = 0.0029674 k( 10) = ( 0.0882353 -0.0509427 0.0720438), wk = 0.0029674 k( 11) = ( 0.0980392 -0.0566030 0.0800487), wk = 0.0029674 k( 12) = ( 0.1078431 -0.0622633 0.0880536), wk = 0.0029674 k( 13) = ( 0.1176471 -0.0679236 0.0960584), wk = 0.0029674 k( 14) = ( 0.1274510 -0.0735839 0.1040633), wk = 0.0029674 k( 15) = ( 0.1372549 -0.0792442 0.1120682), wk = 0.0029674 k( 16) = ( 0.1470588 -0.0849044 0.1200730), wk = 0.0029674 k( 17) = ( 0.1568627 -0.0905648 0.1280779), wk = 0.0029674 k( 18) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0029674 k( 19) = ( 0.1764706 -0.1018853 0.1440876), wk = 0.0029674 k( 20) = ( 0.1862745 -0.1075456 0.1520925), wk = 0.0029674 k( 21) = ( 0.1960784 -0.1132059 0.1600974), wk = 0.0029674 k( 22) = ( 0.2058823 -0.1188662 0.1681022), wk = 0.0029674 k( 23) = ( 0.2156863 -0.1245265 0.1761071), wk = 0.0029674 k( 24) = ( 0.2254902 -0.1301868 0.1841120), wk = 0.0029674 k( 25) = ( 0.2352941 -0.1358471 0.1921168), wk = 0.0029674 k( 26) = ( 0.2450980 -0.1415074 0.2001217), wk = 0.0029674 k( 27) = ( 0.2549020 -0.1471677 0.2081266), wk = 0.0029674 k( 28) = ( 0.2647059 -0.1528280 0.2161314), wk = 0.0029674 k( 29) = ( 0.2745098 -0.1584883 0.2241363), wk = 0.0029674 k( 30) = ( 0.2843137 -0.1641486 0.2321412), wk = 0.0029674 k( 31) = ( 0.2941177 -0.1698089 0.2401461), wk = 0.0029674 k( 32) = ( 0.3039216 -0.1754692 0.2481509), wk = 0.0029674 k( 33) = ( 0.3137255 -0.1811295 0.2561558), wk = 0.0029674 k( 34) = ( 0.3235294 -0.1867898 0.2641607), wk = 0.0029674 k( 35) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0029674 k( 36) = ( 0.3431373 -0.1981104 0.2801704), wk = 0.0029674 k( 37) = ( 0.3529412 -0.2037707 0.2881753), wk = 0.0029674 k( 38) = ( 0.3627451 -0.2094310 0.2961801), wk = 0.0029674 k( 39) = ( 0.3725490 -0.2150913 0.3041850), wk = 0.0029674 k( 40) = ( 0.3823529 -0.2207516 0.3121899), wk = 0.0029674 k( 41) = ( 0.3921569 -0.2264119 0.3201947), wk = 0.0029674 k( 42) = ( 0.4019608 -0.2320722 0.3281996), wk = 0.0029674 k( 43) = ( 0.4117647 -0.2377325 0.3362045), wk = 0.0029674 k( 44) = ( 0.4215686 -0.2433928 0.3442093), wk = 0.0029674 k( 45) = ( 0.4313726 -0.2490531 0.3522142), wk = 0.0029674 k( 46) = ( 0.4411765 -0.2547134 0.3602191), wk = 0.0029674 k( 47) = ( 0.4509804 -0.2603736 0.3682239), wk = 0.0029674 k( 48) = ( 0.4607843 -0.2660339 0.3762288), wk = 0.0029674 k( 49) = ( 0.4705882 -0.2716942 0.3842337), wk = 0.0029674 k( 50) = ( 0.4803922 -0.2773545 0.3922386), wk = 0.0029674 k( 51) = ( 0.4901961 -0.2830148 0.4002434), wk = 0.0029674 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029674 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029674 k( 54) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0029674 k( 55) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0029674 k( 56) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0029674 k( 57) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0029674 k( 58) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0029674 k( 59) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0029674 k( 60) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0029674 k( 61) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0029674 k( 62) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0029674 k( 63) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0029674 k( 64) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0029674 k( 65) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0029674 k( 66) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0029674 k( 67) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0029674 k( 68) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0029674 k( 69) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0029674 k( 70) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0029674 k( 71) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0029674 k( 72) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0029674 k( 73) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0029674 k( 74) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0029674 k( 75) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0029674 k( 76) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0029674 k( 77) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0029674 k( 78) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0029674 k( 79) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029674 k( 80) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029674 k( 81) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0029674 k( 82) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0029674 k( 83) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0029674 k( 84) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0029674 k( 85) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0029674 k( 86) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0029674 k( 87) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0029674 k( 88) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0029674 k( 89) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0029674 k( 90) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0029674 k( 91) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0029674 k( 92) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0029674 k( 93) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0029674 k( 94) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0029674 k( 95) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0029674 k( 96) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0029674 k( 97) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0029674 k( 98) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029674 k( 99) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029674 k( 100) = ( 0.3680556 0.2124970 0.6010322), wk = 0.0029674 k( 101) = ( 0.3611111 0.2084876 0.5896920), wk = 0.0029674 k( 102) = ( 0.3541667 0.2044782 0.5783517), wk = 0.0029674 k( 103) = ( 0.3472222 0.2004688 0.5670115), wk = 0.0029674 k( 104) = ( 0.3402778 0.1964595 0.5556713), wk = 0.0029674 k( 105) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0029674 k( 106) = ( 0.3263889 0.1884407 0.5329908), wk = 0.0029674 k( 107) = ( 0.3194444 0.1844313 0.5216506), wk = 0.0029674 k( 108) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0029674 k( 109) = ( 0.3055556 0.1764126 0.4989701), wk = 0.0029674 k( 110) = ( 0.2986111 0.1724032 0.4876299), wk = 0.0029674 k( 111) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0029674 k( 112) = ( 0.2847222 0.1643845 0.4649494), wk = 0.0029674 k( 113) = ( 0.2777778 0.1603751 0.4536092), wk = 0.0029674 k( 114) = ( 0.2708333 0.1563657 0.4422690), wk = 0.0029674 k( 115) = ( 0.2638889 0.1523563 0.4309288), wk = 0.0029674 k( 116) = ( 0.2569444 0.1483469 0.4195885), wk = 0.0029674 k( 117) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0029674 k( 118) = ( 0.2430556 0.1403282 0.3969081), wk = 0.0029674 k( 119) = ( 0.2361111 0.1363188 0.3855678), wk = 0.0029674 k( 120) = ( 0.2291667 0.1323094 0.3742276), wk = 0.0029674 k( 121) = ( 0.2222222 0.1283001 0.3628874), wk = 0.0029674 k( 122) = ( 0.2152778 0.1242907 0.3515471), wk = 0.0029674 k( 123) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0029674 k( 124) = ( 0.2013889 0.1162719 0.3288667), wk = 0.0029674 k( 125) = ( 0.1944444 0.1122625 0.3175265), wk = 0.0029674 k( 126) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0029674 k( 127) = ( 0.1805556 0.1042438 0.2948460), wk = 0.0029674 k( 128) = ( 0.1736111 0.1002344 0.2835058), wk = 0.0029674 k( 129) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0029674 k( 130) = ( 0.1597222 0.0922157 0.2608253), wk = 0.0029674 k( 131) = ( 0.1527778 0.0882063 0.2494851), wk = 0.0029674 k( 132) = ( 0.1458333 0.0841969 0.2381448), wk = 0.0029674 k( 133) = ( 0.1388889 0.0801875 0.2268046), wk = 0.0029674 k( 134) = ( 0.1319444 0.0761782 0.2154644), wk = 0.0029674 k( 135) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0029674 k( 136) = ( 0.1180556 0.0681594 0.1927839), wk = 0.0029674 k( 137) = ( 0.1111111 0.0641500 0.1814437), wk = 0.0029674 k( 138) = ( 0.1041667 0.0601407 0.1701034), wk = 0.0029674 k( 139) = ( 0.0972222 0.0561313 0.1587632), wk = 0.0029674 k( 140) = ( 0.0902778 0.0521219 0.1474230), wk = 0.0029674 k( 141) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0029674 k( 142) = ( 0.0763889 0.0441031 0.1247425), wk = 0.0029674 k( 143) = ( 0.0694444 0.0400938 0.1134023), wk = 0.0029674 k( 144) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0029674 k( 145) = ( 0.0555556 0.0320750 0.0907218), wk = 0.0029674 k( 146) = ( 0.0486111 0.0280656 0.0793816), wk = 0.0029674 k( 147) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0029674 k( 148) = ( 0.0347222 0.0200469 0.0567011), wk = 0.0029674 k( 149) = ( 0.0277778 0.0160375 0.0453609), wk = 0.0029674 k( 150) = ( 0.0208333 0.0120281 0.0340207), wk = 0.0029674 k( 151) = ( 0.0138889 0.0080188 0.0226805), wk = 0.0029674 k( 152) = ( 0.0069444 0.0040094 0.0113402), wk = 0.0029674 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 155) = ( 0.0113636 0.0065608 0.0046392), wk = 0.0029674 k( 156) = ( 0.0227273 0.0131216 0.0092784), wk = 0.0029674 k( 157) = ( 0.0340909 0.0196824 0.0139176), wk = 0.0029674 k( 158) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0029674 k( 159) = ( 0.0568182 0.0328040 0.0231959), wk = 0.0029674 k( 160) = ( 0.0681818 0.0393648 0.0278351), wk = 0.0029674 k( 161) = ( 0.0795455 0.0459256 0.0324743), wk = 0.0029674 k( 162) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0029674 k( 163) = ( 0.1022727 0.0590472 0.0417527), wk = 0.0029674 k( 164) = ( 0.1136364 0.0656080 0.0463918), wk = 0.0029674 k( 165) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0029674 k( 166) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0029674 k( 167) = ( 0.1477273 0.0852904 0.0603094), wk = 0.0029674 k( 168) = ( 0.1590909 0.0918512 0.0649486), wk = 0.0029674 k( 169) = ( 0.1704546 0.0984120 0.0695878), wk = 0.0029674 k( 170) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0029674 k( 171) = ( 0.1931818 0.1115336 0.0788661), wk = 0.0029674 k( 172) = ( 0.2045454 0.1180944 0.0835053), wk = 0.0029674 k( 173) = ( 0.2159091 0.1246552 0.0881445), wk = 0.0029674 k( 174) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0029674 k( 175) = ( 0.2386364 0.1377768 0.0974229), wk = 0.0029674 k( 176) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0029674 k( 177) = ( 0.2613636 0.1508984 0.1067013), wk = 0.0029674 k( 178) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0029674 k( 179) = ( 0.2840909 0.1640200 0.1159796), wk = 0.0029674 k( 180) = ( 0.2954545 0.1705808 0.1206188), wk = 0.0029674 k( 181) = ( 0.3068182 0.1771416 0.1252580), wk = 0.0029674 k( 182) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0029674 k( 183) = ( 0.3295455 0.1902632 0.1345364), wk = 0.0029674 k( 184) = ( 0.3409091 0.1968240 0.1391756), wk = 0.0029674 k( 185) = ( 0.3522727 0.2033848 0.1438147), wk = 0.0029674 k( 186) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0029674 k( 187) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0029674 k( 188) = ( 0.3863636 0.2230672 0.1577323), wk = 0.0029674 k( 189) = ( 0.3977273 0.2296279 0.1623715), wk = 0.0029674 k( 190) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0029674 k( 191) = ( 0.4204545 0.2427495 0.1716499), wk = 0.0029674 k( 192) = ( 0.4318182 0.2493103 0.1762890), wk = 0.0029674 k( 193) = ( 0.4431818 0.2558711 0.1809282), wk = 0.0029674 k( 194) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0029674 k( 195) = ( 0.4659091 0.2689927 0.1902066), wk = 0.0029674 k( 196) = ( 0.4772727 0.2755535 0.1948458), wk = 0.0029674 k( 197) = ( 0.4886364 0.2821143 0.1994850), wk = 0.0029674 k( 198) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 199) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 200) = ( 0.5040323 0.2770350 0.2107088), wk = 0.0029674 k( 201) = ( 0.5080645 0.2653949 0.2172934), wk = 0.0029674 k( 202) = ( 0.5120968 0.2537548 0.2238781), wk = 0.0029674 k( 203) = ( 0.5161290 0.2421146 0.2304627), wk = 0.0029674 k( 204) = ( 0.5201613 0.2304745 0.2370474), wk = 0.0029674 k( 205) = ( 0.5241936 0.2188344 0.2436320), wk = 0.0029674 k( 206) = ( 0.5282258 0.2071943 0.2502167), wk = 0.0029674 k( 207) = ( 0.5322581 0.1955541 0.2568013), wk = 0.0029674 k( 208) = ( 0.5362903 0.1839140 0.2633860), wk = 0.0029674 k( 209) = ( 0.5403226 0.1722739 0.2699706), wk = 0.0029674 k( 210) = ( 0.5443548 0.1606337 0.2765553), wk = 0.0029674 k( 211) = ( 0.5483871 0.1489936 0.2831399), wk = 0.0029674 k( 212) = ( 0.5524193 0.1373535 0.2897246), wk = 0.0029674 k( 213) = ( 0.5564516 0.1257134 0.2963092), wk = 0.0029674 k( 214) = ( 0.5604839 0.1140732 0.3028939), wk = 0.0029674 k( 215) = ( 0.5645161 0.1024331 0.3094785), wk = 0.0029674 k( 216) = ( 0.5685484 0.0907930 0.3160632), wk = 0.0029674 k( 217) = ( 0.5725807 0.0791529 0.3226478), wk = 0.0029674 k( 218) = ( 0.5766129 0.0675127 0.3292325), wk = 0.0029674 k( 219) = ( 0.5806452 0.0558726 0.3358171), wk = 0.0029674 k( 220) = ( 0.5846774 0.0442325 0.3424018), wk = 0.0029674 k( 221) = ( 0.5887097 0.0325924 0.3489864), wk = 0.0029674 k( 222) = ( 0.5927419 0.0209522 0.3555711), wk = 0.0029674 k( 223) = ( 0.5967742 0.0093121 0.3621557), wk = 0.0029674 k( 224) = ( 0.6008064 -0.0023280 0.3687404), wk = 0.0029674 k( 225) = ( 0.6048387 -0.0139682 0.3753250), wk = 0.0029674 k( 226) = ( 0.6088710 -0.0256083 0.3819097), wk = 0.0029674 k( 227) = ( 0.6129032 -0.0372484 0.3884943), wk = 0.0029674 k( 228) = ( 0.6169355 -0.0488885 0.3950790), wk = 0.0029674 k( 229) = ( 0.6209677 -0.0605287 0.4016636), wk = 0.0029674 k( 230) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029674 k( 231) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029674 k( 232) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0029674 k( 233) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0029674 k( 234) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0029674 k( 235) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0029674 k( 236) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0029674 k( 237) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0029674 k( 238) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0029674 k( 239) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0029674 k( 240) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0029674 k( 241) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0029674 k( 242) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0029674 k( 243) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0029674 k( 244) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0029674 k( 245) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0029674 k( 246) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0029674 k( 247) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0029674 k( 248) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0029674 k( 249) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029674 k( 250) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029674 k( 251) = ( 0.5000000 0.0080187 0.6010322), wk = 0.0029674 k( 252) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0029674 k( 253) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0029674 k( 254) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0029674 k( 255) = ( 0.5000000 0.0400938 0.5556713), wk = 0.0029674 k( 256) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0029674 k( 257) = ( 0.5000000 0.0561313 0.5329908), wk = 0.0029674 k( 258) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0029674 k( 259) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0029674 k( 260) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0029674 k( 261) = ( 0.5000000 0.0882063 0.4876299), wk = 0.0029674 k( 262) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0029674 k( 263) = ( 0.5000000 0.1042438 0.4649494), wk = 0.0029674 k( 264) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0029674 k( 265) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0029674 k( 266) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0029674 k( 267) = ( 0.5000000 0.1363188 0.4195885), wk = 0.0029674 k( 268) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0029674 k( 269) = ( 0.5000000 0.1523563 0.3969081), wk = 0.0029674 k( 270) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0029674 k( 271) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0029674 k( 272) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0029674 k( 273) = ( 0.5000000 0.1844313 0.3515471), wk = 0.0029674 k( 274) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0029674 k( 275) = ( 0.5000000 0.2004688 0.3288667), wk = 0.0029674 k( 276) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0029674 k( 277) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0029674 k( 278) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0029674 k( 279) = ( 0.5000000 0.2325439 0.2835058), wk = 0.0029674 k( 280) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0029674 k( 281) = ( 0.5000000 0.2485814 0.2608253), wk = 0.0029674 k( 282) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0029674 k( 283) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0029674 k( 284) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0029674 k( 285) = ( 0.5000000 0.2806564 0.2154644), wk = 0.0029674 k( 286) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 287) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 288) = ( 0.4959677 0.2863471 0.2172935), wk = 0.0029674 k( 289) = ( 0.4919355 0.2840191 0.2304627), wk = 0.0029674 k( 290) = ( 0.4879032 0.2816911 0.2436320), wk = 0.0029674 k( 291) = ( 0.4838710 0.2793630 0.2568013), wk = 0.0029674 k( 292) = ( 0.4798387 0.2770350 0.2699706), wk = 0.0029674 k( 293) = ( 0.4758064 0.2747070 0.2831399), wk = 0.0029674 k( 294) = ( 0.4717742 0.2723790 0.2963092), wk = 0.0029674 k( 295) = ( 0.4677419 0.2700509 0.3094785), wk = 0.0029674 k( 296) = ( 0.4637097 0.2677229 0.3226478), wk = 0.0029674 k( 297) = ( 0.4596774 0.2653949 0.3358171), wk = 0.0029674 k( 298) = ( 0.4556452 0.2630669 0.3489864), wk = 0.0029674 k( 299) = ( 0.4516129 0.2607388 0.3621557), wk = 0.0029674 k( 300) = ( 0.4475807 0.2584108 0.3753250), wk = 0.0029674 k( 301) = ( 0.4435484 0.2560828 0.3884943), wk = 0.0029674 k( 302) = ( 0.4395161 0.2537548 0.4016636), wk = 0.0029674 k( 303) = ( 0.4354839 0.2514267 0.4148329), wk = 0.0029674 k( 304) = ( 0.4314516 0.2490987 0.4280022), wk = 0.0029674 k( 305) = ( 0.4274193 0.2467707 0.4411715), wk = 0.0029674 k( 306) = ( 0.4233871 0.2444427 0.4543408), wk = 0.0029674 k( 307) = ( 0.4193548 0.2421146 0.4675101), wk = 0.0029674 k( 308) = ( 0.4153226 0.2397866 0.4806794), wk = 0.0029674 k( 309) = ( 0.4112903 0.2374586 0.4938487), wk = 0.0029674 k( 310) = ( 0.4072581 0.2351306 0.5070180), wk = 0.0029674 k( 311) = ( 0.4032258 0.2328025 0.5201873), wk = 0.0029674 k( 312) = ( 0.3991936 0.2304745 0.5333566), wk = 0.0029674 k( 313) = ( 0.3951613 0.2281465 0.5465259), wk = 0.0029674 k( 314) = ( 0.3911290 0.2258185 0.5596952), wk = 0.0029674 k( 315) = ( 0.3870968 0.2234904 0.5728645), wk = 0.0029674 k( 316) = ( 0.3830645 0.2211624 0.5860338), wk = 0.0029674 k( 317) = ( 0.3790323 0.2188344 0.5992031), wk = 0.0029674 k( 318) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029674 k( 319) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029674 k( 320) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0029674 k( 321) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0029674 k( 322) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0029674 k( 323) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0029674 k( 324) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0029674 k( 325) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0029674 k( 326) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0029674 k( 327) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0029674 k( 328) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0029674 k( 329) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0029674 k( 330) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0029674 k( 331) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0029674 k( 332) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0029674 k( 333) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0029674 k( 334) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0029674 k( 335) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0029674 k( 336) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0029674 k( 337) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029674 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0098039 -0.0000000 0.0098039), wk = 0.0029674 k( 3) = ( 0.0196078 -0.0000000 0.0196078), wk = 0.0029674 k( 4) = ( 0.0294118 0.0000000 0.0294118), wk = 0.0029674 k( 5) = ( 0.0392157 -0.0000000 0.0392157), wk = 0.0029674 k( 6) = ( 0.0490196 -0.0000000 0.0490196), wk = 0.0029674 k( 7) = ( 0.0588235 -0.0000000 0.0588235), wk = 0.0029674 k( 8) = ( 0.0686275 -0.0000000 0.0686275), wk = 0.0029674 k( 9) = ( 0.0784314 -0.0000000 0.0784314), wk = 0.0029674 k( 10) = ( 0.0882353 -0.0000000 0.0882353), wk = 0.0029674 k( 11) = ( 0.0980392 -0.0000000 0.0980392), wk = 0.0029674 k( 12) = ( 0.1078431 0.0000000 0.1078431), wk = 0.0029674 k( 13) = ( 0.1176471 -0.0000000 0.1176471), wk = 0.0029674 k( 14) = ( 0.1274510 -0.0000000 0.1274510), wk = 0.0029674 k( 15) = ( 0.1372549 -0.0000000 0.1372549), wk = 0.0029674 k( 16) = ( 0.1470588 -0.0000000 0.1470588), wk = 0.0029674 k( 17) = ( 0.1568627 -0.0000000 0.1568627), wk = 0.0029674 k( 18) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0029674 k( 19) = ( 0.1764706 -0.0000000 0.1764706), wk = 0.0029674 k( 20) = ( 0.1862745 -0.0000000 0.1862745), wk = 0.0029674 k( 21) = ( 0.1960784 -0.0000000 0.1960784), wk = 0.0029674 k( 22) = ( 0.2058823 0.0000000 0.2058823), wk = 0.0029674 k( 23) = ( 0.2156863 0.0000000 0.2156863), wk = 0.0029674 k( 24) = ( 0.2254902 -0.0000000 0.2254902), wk = 0.0029674 k( 25) = ( 0.2352941 -0.0000000 0.2352941), wk = 0.0029674 k( 26) = ( 0.2450980 -0.0000000 0.2450980), wk = 0.0029674 k( 27) = ( 0.2549020 -0.0000000 0.2549020), wk = 0.0029674 k( 28) = ( 0.2647059 -0.0000000 0.2647059), wk = 0.0029674 k( 29) = ( 0.2745098 -0.0000000 0.2745098), wk = 0.0029674 k( 30) = ( 0.2843137 -0.0000000 0.2843137), wk = 0.0029674 k( 31) = ( 0.2941177 -0.0000000 0.2941177), wk = 0.0029674 k( 32) = ( 0.3039216 -0.0000000 0.3039216), wk = 0.0029674 k( 33) = ( 0.3137255 -0.0000000 0.3137255), wk = 0.0029674 k( 34) = ( 0.3235294 -0.0000000 0.3235294), wk = 0.0029674 k( 35) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0029674 k( 36) = ( 0.3431373 -0.0000000 0.3431372), wk = 0.0029674 k( 37) = ( 0.3529412 -0.0000000 0.3529412), wk = 0.0029674 k( 38) = ( 0.3627451 -0.0000000 0.3627451), wk = 0.0029674 k( 39) = ( 0.3725490 -0.0000000 0.3725490), wk = 0.0029674 k( 40) = ( 0.3823529 -0.0000000 0.3823529), wk = 0.0029674 k( 41) = ( 0.3921569 -0.0000000 0.3921569), wk = 0.0029674 k( 42) = ( 0.4019608 -0.0000000 0.4019608), wk = 0.0029674 k( 43) = ( 0.4117647 -0.0000000 0.4117647), wk = 0.0029674 k( 44) = ( 0.4215686 0.0000000 0.4215686), wk = 0.0029674 k( 45) = ( 0.4313726 -0.0000000 0.4313726), wk = 0.0029674 k( 46) = ( 0.4411765 0.0000000 0.4411765), wk = 0.0029674 k( 47) = ( 0.4509804 0.0000000 0.4509804), wk = 0.0029674 k( 48) = ( 0.4607843 0.0000000 0.4607843), wk = 0.0029674 k( 49) = ( 0.4705882 -0.0000000 0.4705882), wk = 0.0029674 k( 50) = ( 0.4803922 0.0000000 0.4803922), wk = 0.0029674 k( 51) = ( 0.4901961 -0.0000000 0.4901961), wk = 0.0029674 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 54) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0029674 k( 55) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0029674 k( 56) = ( 0.5000000 0.0288461 0.5288462), wk = 0.0029674 k( 57) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0029674 k( 58) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0029674 k( 59) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0029674 k( 60) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0029674 k( 61) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0029674 k( 62) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0029674 k( 63) = ( 0.5000000 0.0961538 0.5961538), wk = 0.0029674 k( 64) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0029674 k( 65) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0029674 k( 66) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0029674 k( 67) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0029674 k( 68) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0029674 k( 69) = ( 0.5000000 0.1538461 0.6538462), wk = 0.0029674 k( 70) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0029674 k( 71) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0029674 k( 72) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0029674 k( 73) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0029674 k( 74) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0029674 k( 75) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0029674 k( 76) = ( 0.5000000 0.2211538 0.7211538), wk = 0.0029674 k( 77) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0029674 k( 78) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0029674 k( 79) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 81) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0029674 k( 82) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0029674 k( 83) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0029674 k( 84) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0029674 k( 85) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0029674 k( 86) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0029674 k( 87) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0029674 k( 88) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0029674 k( 89) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0029674 k( 90) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0029674 k( 91) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0029674 k( 92) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0029674 k( 93) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0029674 k( 94) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0029674 k( 95) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0029674 k( 96) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0029674 k( 97) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0029674 k( 98) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029674 k( 99) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029674 k( 100) = ( 0.3680556 0.3680556 0.7361111), wk = 0.0029674 k( 101) = ( 0.3611111 0.3611111 0.7222222), wk = 0.0029674 k( 102) = ( 0.3541667 0.3541667 0.7083333), wk = 0.0029674 k( 103) = ( 0.3472222 0.3472222 0.6944444), wk = 0.0029674 k( 104) = ( 0.3402778 0.3402778 0.6805556), wk = 0.0029674 k( 105) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0029674 k( 106) = ( 0.3263889 0.3263889 0.6527778), wk = 0.0029674 k( 107) = ( 0.3194444 0.3194444 0.6388889), wk = 0.0029674 k( 108) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0029674 k( 109) = ( 0.3055556 0.3055556 0.6111111), wk = 0.0029674 k( 110) = ( 0.2986111 0.2986111 0.5972222), wk = 0.0029674 k( 111) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0029674 k( 112) = ( 0.2847222 0.2847222 0.5694444), wk = 0.0029674 k( 113) = ( 0.2777778 0.2777778 0.5555556), wk = 0.0029674 k( 114) = ( 0.2708333 0.2708333 0.5416667), wk = 0.0029674 k( 115) = ( 0.2638889 0.2638889 0.5277778), wk = 0.0029674 k( 116) = ( 0.2569444 0.2569444 0.5138889), wk = 0.0029674 k( 117) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0029674 k( 118) = ( 0.2430556 0.2430556 0.4861111), wk = 0.0029674 k( 119) = ( 0.2361111 0.2361111 0.4722222), wk = 0.0029674 k( 120) = ( 0.2291667 0.2291667 0.4583333), wk = 0.0029674 k( 121) = ( 0.2222222 0.2222222 0.4444444), wk = 0.0029674 k( 122) = ( 0.2152778 0.2152778 0.4305556), wk = 0.0029674 k( 123) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0029674 k( 124) = ( 0.2013889 0.2013889 0.4027778), wk = 0.0029674 k( 125) = ( 0.1944444 0.1944444 0.3888889), wk = 0.0029674 k( 126) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0029674 k( 127) = ( 0.1805556 0.1805556 0.3611111), wk = 0.0029674 k( 128) = ( 0.1736111 0.1736111 0.3472222), wk = 0.0029674 k( 129) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029674 k( 130) = ( 0.1597222 0.1597222 0.3194444), wk = 0.0029674 k( 131) = ( 0.1527778 0.1527778 0.3055556), wk = 0.0029674 k( 132) = ( 0.1458333 0.1458333 0.2916667), wk = 0.0029674 k( 133) = ( 0.1388889 0.1388889 0.2777778), wk = 0.0029674 k( 134) = ( 0.1319444 0.1319444 0.2638889), wk = 0.0029674 k( 135) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0029674 k( 136) = ( 0.1180556 0.1180556 0.2361111), wk = 0.0029674 k( 137) = ( 0.1111111 0.1111111 0.2222222), wk = 0.0029674 k( 138) = ( 0.1041667 0.1041667 0.2083333), wk = 0.0029674 k( 139) = ( 0.0972222 0.0972222 0.1944444), wk = 0.0029674 k( 140) = ( 0.0902778 0.0902778 0.1805556), wk = 0.0029674 k( 141) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0029674 k( 142) = ( 0.0763889 0.0763889 0.1527778), wk = 0.0029674 k( 143) = ( 0.0694444 0.0694444 0.1388889), wk = 0.0029674 k( 144) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0029674 k( 145) = ( 0.0555556 0.0555556 0.1111111), wk = 0.0029674 k( 146) = ( 0.0486111 0.0486111 0.0972222), wk = 0.0029674 k( 147) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0029674 k( 148) = ( 0.0347222 0.0347222 0.0694444), wk = 0.0029674 k( 149) = ( 0.0277778 0.0277778 0.0555556), wk = 0.0029674 k( 150) = ( 0.0208333 0.0208333 0.0416667), wk = 0.0029674 k( 151) = ( 0.0138889 0.0138889 0.0277778), wk = 0.0029674 k( 152) = ( 0.0069444 0.0069444 0.0138889), wk = 0.0029674 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 155) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0029674 k( 156) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0029674 k( 157) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0029674 k( 158) = ( 0.0454546 0.0454546 0.0454545), wk = 0.0029674 k( 159) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0029674 k( 160) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0029674 k( 161) = ( 0.0795455 0.0795455 0.0795454), wk = 0.0029674 k( 162) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0029674 k( 163) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0029674 k( 164) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0029674 k( 165) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029674 k( 166) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0029674 k( 167) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0029674 k( 168) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0029674 k( 169) = ( 0.1704546 0.1704546 0.1704546), wk = 0.0029674 k( 170) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0029674 k( 171) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0029674 k( 172) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0029674 k( 173) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0029674 k( 174) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0029674 k( 175) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0029674 k( 176) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029674 k( 177) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0029674 k( 178) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0029674 k( 179) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0029674 k( 180) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0029674 k( 181) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0029674 k( 182) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0029674 k( 183) = ( 0.3295455 0.3295455 0.3295455), wk = 0.0029674 k( 184) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0029674 k( 185) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0029674 k( 186) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0029674 k( 187) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029674 k( 188) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0029674 k( 189) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0029674 k( 190) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0029674 k( 191) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0029674 k( 192) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0029674 k( 193) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0029674 k( 194) = ( 0.4545455 0.4545455 0.4545454), wk = 0.0029674 k( 195) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0029674 k( 196) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0029674 k( 197) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0029674 k( 198) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 200) = ( 0.5040323 0.4919355 0.5040323), wk = 0.0029674 k( 201) = ( 0.5080645 0.4838710 0.5080645), wk = 0.0029674 k( 202) = ( 0.5120968 0.4758064 0.5120968), wk = 0.0029674 k( 203) = ( 0.5161290 0.4677419 0.5161290), wk = 0.0029674 k( 204) = ( 0.5201613 0.4596774 0.5201613), wk = 0.0029674 k( 205) = ( 0.5241936 0.4516129 0.5241936), wk = 0.0029674 k( 206) = ( 0.5282258 0.4435484 0.5282258), wk = 0.0029674 k( 207) = ( 0.5322581 0.4354839 0.5322581), wk = 0.0029674 k( 208) = ( 0.5362903 0.4274193 0.5362903), wk = 0.0029674 k( 209) = ( 0.5403226 0.4193548 0.5403226), wk = 0.0029674 k( 210) = ( 0.5443548 0.4112903 0.5443548), wk = 0.0029674 k( 211) = ( 0.5483871 0.4032258 0.5483871), wk = 0.0029674 k( 212) = ( 0.5524193 0.3951613 0.5524193), wk = 0.0029674 k( 213) = ( 0.5564516 0.3870968 0.5564516), wk = 0.0029674 k( 214) = ( 0.5604839 0.3790323 0.5604839), wk = 0.0029674 k( 215) = ( 0.5645161 0.3709677 0.5645161), wk = 0.0029674 k( 216) = ( 0.5685484 0.3629032 0.5685484), wk = 0.0029674 k( 217) = ( 0.5725807 0.3548387 0.5725807), wk = 0.0029674 k( 218) = ( 0.5766129 0.3467742 0.5766129), wk = 0.0029674 k( 219) = ( 0.5806452 0.3387097 0.5806452), wk = 0.0029674 k( 220) = ( 0.5846774 0.3306452 0.5846774), wk = 0.0029674 k( 221) = ( 0.5887097 0.3225807 0.5887097), wk = 0.0029674 k( 222) = ( 0.5927419 0.3145161 0.5927419), wk = 0.0029674 k( 223) = ( 0.5967742 0.3064516 0.5967742), wk = 0.0029674 k( 224) = ( 0.6008064 0.2983871 0.6008064), wk = 0.0029674 k( 225) = ( 0.6048387 0.2903226 0.6048387), wk = 0.0029674 k( 226) = ( 0.6088710 0.2822581 0.6088710), wk = 0.0029674 k( 227) = ( 0.6129032 0.2741935 0.6129032), wk = 0.0029674 k( 228) = ( 0.6169355 0.2661290 0.6169355), wk = 0.0029674 k( 229) = ( 0.6209677 0.2580645 0.6209677), wk = 0.0029674 k( 230) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029674 k( 231) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029674 k( 232) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0029674 k( 233) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0029674 k( 234) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0029674 k( 235) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0029674 k( 236) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0029674 k( 237) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0029674 k( 238) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0029674 k( 239) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0029674 k( 240) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0029674 k( 241) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0029674 k( 242) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0029674 k( 243) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0029674 k( 244) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0029674 k( 245) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0029674 k( 246) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0029674 k( 247) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0029674 k( 248) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0029674 k( 249) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 250) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 251) = ( 0.5000000 0.2569444 0.7430556), wk = 0.0029674 k( 252) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0029674 k( 253) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0029674 k( 254) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0029674 k( 255) = ( 0.5000000 0.2847222 0.7152778), wk = 0.0029674 k( 256) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0029674 k( 257) = ( 0.5000000 0.2986111 0.7013889), wk = 0.0029674 k( 258) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0029674 k( 259) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0029674 k( 260) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0029674 k( 261) = ( 0.5000000 0.3263889 0.6736111), wk = 0.0029674 k( 262) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0029674 k( 263) = ( 0.5000000 0.3402778 0.6597222), wk = 0.0029674 k( 264) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0029674 k( 265) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0029674 k( 266) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0029674 k( 267) = ( 0.5000000 0.3680556 0.6319444), wk = 0.0029674 k( 268) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0029674 k( 269) = ( 0.5000000 0.3819444 0.6180556), wk = 0.0029674 k( 270) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0029674 k( 271) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0029674 k( 272) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0029674 k( 273) = ( 0.5000000 0.4097222 0.5902778), wk = 0.0029674 k( 274) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0029674 k( 275) = ( 0.5000000 0.4236111 0.5763889), wk = 0.0029674 k( 276) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0029674 k( 277) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0029674 k( 278) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0029674 k( 279) = ( 0.5000000 0.4513889 0.5486111), wk = 0.0029674 k( 280) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0029674 k( 281) = ( 0.5000000 0.4652778 0.5347222), wk = 0.0029674 k( 282) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0029674 k( 283) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0029674 k( 284) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0029674 k( 285) = ( 0.5000000 0.4930556 0.5069444), wk = 0.0029674 k( 286) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 288) = ( 0.4959677 0.4959677 0.5080645), wk = 0.0029674 k( 289) = ( 0.4919355 0.4919355 0.5161290), wk = 0.0029674 k( 290) = ( 0.4879032 0.4879032 0.5241936), wk = 0.0029674 k( 291) = ( 0.4838710 0.4838710 0.5322581), wk = 0.0029674 k( 292) = ( 0.4798387 0.4798387 0.5403226), wk = 0.0029674 k( 293) = ( 0.4758064 0.4758064 0.5483871), wk = 0.0029674 k( 294) = ( 0.4717742 0.4717742 0.5564516), wk = 0.0029674 k( 295) = ( 0.4677419 0.4677419 0.5645161), wk = 0.0029674 k( 296) = ( 0.4637097 0.4637097 0.5725807), wk = 0.0029674 k( 297) = ( 0.4596774 0.4596774 0.5806452), wk = 0.0029674 k( 298) = ( 0.4556452 0.4556452 0.5887097), wk = 0.0029674 k( 299) = ( 0.4516129 0.4516129 0.5967742), wk = 0.0029674 k( 300) = ( 0.4475807 0.4475807 0.6048387), wk = 0.0029674 k( 301) = ( 0.4435484 0.4435484 0.6129032), wk = 0.0029674 k( 302) = ( 0.4395161 0.4395161 0.6209677), wk = 0.0029674 k( 303) = ( 0.4354839 0.4354839 0.6290323), wk = 0.0029674 k( 304) = ( 0.4314516 0.4314516 0.6370968), wk = 0.0029674 k( 305) = ( 0.4274193 0.4274193 0.6451613), wk = 0.0029674 k( 306) = ( 0.4233871 0.4233871 0.6532258), wk = 0.0029674 k( 307) = ( 0.4193548 0.4193548 0.6612903), wk = 0.0029674 k( 308) = ( 0.4153226 0.4153226 0.6693548), wk = 0.0029674 k( 309) = ( 0.4112903 0.4112903 0.6774193), wk = 0.0029674 k( 310) = ( 0.4072581 0.4072581 0.6854839), wk = 0.0029674 k( 311) = ( 0.4032258 0.4032258 0.6935484), wk = 0.0029674 k( 312) = ( 0.3991936 0.3991936 0.7016129), wk = 0.0029674 k( 313) = ( 0.3951613 0.3951613 0.7096774), wk = 0.0029674 k( 314) = ( 0.3911290 0.3911290 0.7177419), wk = 0.0029674 k( 315) = ( 0.3870968 0.3870968 0.7258064), wk = 0.0029674 k( 316) = ( 0.3830645 0.3830645 0.7338710), wk = 0.0029674 k( 317) = ( 0.3790323 0.3790323 0.7419355), wk = 0.0029674 k( 318) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029674 k( 319) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029674 k( 320) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0029674 k( 321) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0029674 k( 322) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0029674 k( 323) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0029674 k( 324) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0029674 k( 325) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0029674 k( 326) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0029674 k( 327) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0029674 k( 328) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0029674 k( 329) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0029674 k( 330) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0029674 k( 331) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0029674 k( 332) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0029674 k( 333) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0029674 k( 334) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0029674 k( 335) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0029674 k( 336) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0029674 k( 337) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 Dense grid: 113683 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 17477 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 126, 36) NL pseudopotentials 0.10 Mb ( 63, 102) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 3159) G-vector shells 0.01 Mb ( 701) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.28 Mb ( 126, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.11 Mb ( 102, 2, 36) The potential is recalculated from file : ./CdCuSb.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.1 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.1 secs Computing kpt #: 9 total cpu time spent up to now is 6.5 secs Computing kpt #: 10 total cpu time spent up to now is 6.8 secs Computing kpt #: 11 total cpu time spent up to now is 7.1 secs Computing kpt #: 12 total cpu time spent up to now is 7.5 secs Computing kpt #: 13 total cpu time spent up to now is 7.8 secs Computing kpt #: 14 total cpu time spent up to now is 8.2 secs Computing kpt #: 15 total cpu time spent up to now is 8.5 secs Computing kpt #: 16 total cpu time spent up to now is 8.8 secs Computing kpt #: 17 total cpu time spent up to now is 9.2 secs Computing kpt #: 18 total cpu time spent up to now is 9.5 secs Computing kpt #: 19 total cpu time spent up to now is 9.9 secs Computing kpt #: 20 total cpu time spent up to now is 10.3 secs Computing kpt #: 21 total cpu time spent up to now is 10.6 secs Computing kpt #: 22 total cpu time spent up to now is 10.9 secs Computing kpt #: 23 total cpu time spent up to now is 11.3 secs Computing kpt #: 24 total cpu time spent up to now is 11.7 secs Computing kpt #: 25 total cpu time spent up to now is 12.1 secs Computing kpt #: 26 total cpu time spent up to now is 12.4 secs Computing kpt #: 27 total cpu time spent up to now is 12.7 secs Computing kpt #: 28 total cpu time spent up to now is 13.1 secs Computing kpt #: 29 total cpu time spent up to now is 13.5 secs Computing kpt #: 30 total cpu time spent up to now is 13.9 secs Computing kpt #: 31 total cpu time spent up to now is 14.3 secs Computing kpt #: 32 total cpu time spent up to now is 14.7 secs Computing kpt #: 33 total cpu time spent up to now is 15.2 secs Computing kpt #: 34 total cpu time spent up to now is 15.6 secs Computing kpt #: 35 total cpu time spent up to now is 16.0 secs Computing kpt #: 36 total cpu time spent up to now is 16.4 secs Computing kpt #: 37 total cpu time spent up to now is 16.9 secs Computing kpt #: 38 total cpu time spent up to now is 17.3 secs Computing kpt #: 39 total cpu time spent up to now is 17.7 secs Computing kpt #: 40 total cpu time spent up to now is 18.1 secs Computing kpt #: 41 total cpu time spent up to now is 18.6 secs Computing kpt #: 42 total cpu time spent up to now is 19.0 secs Computing kpt #: 43 total cpu time spent up to now is 19.5 secs Computing kpt #: 44 total cpu time spent up to now is 19.9 secs Computing kpt #: 45 total cpu time spent up to now is 20.4 secs Computing kpt #: 46 total cpu time spent up to now is 20.9 secs Computing kpt #: 47 total cpu time spent up to now is 21.4 secs Computing kpt #: 48 total cpu time spent up to now is 21.9 secs Computing kpt #: 49 total cpu time spent up to now is 22.3 secs Computing kpt #: 50 total cpu time spent up to now is 23.0 secs Computing kpt #: 51 total cpu time spent up to now is 23.7 secs Computing kpt #: 52 total cpu time spent up to now is 24.6 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 25.7 secs Computing kpt #: 54 total cpu time spent up to now is 26.4 secs Computing kpt #: 55 total cpu time spent up to now is 27.1 secs Computing kpt #: 56 total cpu time spent up to now is 27.7 secs Computing kpt #: 57 total cpu time spent up to now is 28.2 secs Computing kpt #: 58 total cpu time spent up to now is 28.7 secs Computing kpt #: 59 total cpu time spent up to now is 29.1 secs Computing kpt #: 60 total cpu time spent up to now is 29.5 secs Computing kpt #: 61 total cpu time spent up to now is 30.0 secs Computing kpt #: 62 total cpu time spent up to now is 30.3 secs Computing kpt #: 63 total cpu time spent up to now is 30.7 secs Computing kpt #: 64 total cpu time spent up to now is 31.1 secs Computing kpt #: 65 total cpu time spent up to now is 31.5 secs Computing kpt #: 66 total cpu time spent up to now is 31.9 secs Computing kpt #: 67 total cpu time spent up to now is 32.2 secs Computing kpt #: 68 total cpu time spent up to now is 32.6 secs Computing kpt #: 69 total cpu time spent up to now is 32.9 secs Computing kpt #: 70 total cpu time spent up to now is 33.3 secs Computing kpt #: 71 total cpu time spent up to now is 33.6 secs Computing kpt #: 72 total cpu time spent up to now is 33.9 secs Computing kpt #: 73 total cpu time spent up to now is 34.3 secs Computing kpt #: 74 total cpu time spent up to now is 34.6 secs Computing kpt #: 75 total cpu time spent up to now is 35.0 secs Computing kpt #: 76 total cpu time spent up to now is 35.3 secs Computing kpt #: 77 total cpu time spent up to now is 35.6 secs Computing kpt #: 78 total cpu time spent up to now is 35.9 secs Computing kpt #: 79 total cpu time spent up to now is 36.2 secs Computing kpt #: 80 total cpu time spent up to now is 36.6 secs Computing kpt #: 81 total cpu time spent up to now is 36.9 secs Computing kpt #: 82 total cpu time spent up to now is 37.2 secs Computing kpt #: 83 total cpu time spent up to now is 37.6 secs Computing kpt #: 84 total cpu time spent up to now is 37.9 secs Computing kpt #: 85 total cpu time spent up to now is 38.3 secs Computing kpt #: 86 total cpu time spent up to now is 38.6 secs Computing kpt #: 87 total cpu time spent up to now is 39.0 secs Computing kpt #: 88 total cpu time spent up to now is 39.3 secs Computing kpt #: 89 total cpu time spent up to now is 39.7 secs Computing kpt #: 90 total cpu time spent up to now is 40.0 secs Computing kpt #: 91 total cpu time spent up to now is 40.4 secs Computing kpt #: 92 total cpu time spent up to now is 40.7 secs Computing kpt #: 93 total cpu time spent up to now is 41.1 secs Computing kpt #: 94 total cpu time spent up to now is 41.4 secs Computing kpt #: 95 total cpu time spent up to now is 41.8 secs Computing kpt #: 96 total cpu time spent up to now is 42.2 secs Computing kpt #: 97 total cpu time spent up to now is 42.6 secs Computing kpt #: 98 total cpu time spent up to now is 43.0 secs Computing kpt #: 99 total cpu time spent up to now is 43.4 secs Computing kpt #: 100 total cpu time spent up to now is 43.7 secs Computing kpt #: 101 total cpu time spent up to now is 44.1 secs Computing kpt #: 102 total cpu time spent up to now is 44.5 secs Computing kpt #: 103 total cpu time spent up to now is 44.9 secs Computing kpt #: 104 total cpu time spent up to now is 45.3 secs Computing kpt #: 105 total cpu time spent up to now is 45.7 secs Computing kpt #: 106 total cpu time spent up to now is 46.1 secs Computing kpt #: 107 total cpu time spent up to now is 46.5 secs Computing kpt #: 108 total cpu time spent up to now is 46.9 secs Computing kpt #: 109 total cpu time spent up to now is 47.3 secs Computing kpt #: 110 total cpu time spent up to now is 47.7 secs Computing kpt #: 111 total cpu time spent up to now is 48.1 secs Computing kpt #: 112 total cpu time spent up to now is 48.4 secs Computing kpt #: 113 total cpu time spent up to now is 48.8 secs Computing kpt #: 114 total cpu time spent up to now is 49.2 secs Computing kpt #: 115 total cpu time spent up to now is 49.6 secs Computing kpt #: 116 total cpu time spent up to now is 49.9 secs Computing kpt #: 117 total cpu time spent up to now is 50.3 secs Computing kpt #: 118 total cpu time spent up to now is 50.7 secs Computing kpt #: 119 total cpu time spent up to now is 51.0 secs Computing kpt #: 120 total cpu time spent up to now is 51.4 secs Computing kpt #: 121 total cpu time spent up to now is 51.8 secs Computing kpt #: 122 total cpu time spent up to now is 52.1 secs Computing kpt #: 123 total cpu time spent up to now is 52.5 secs Computing kpt #: 124 total cpu time spent up to now is 52.9 secs Computing kpt #: 125 total cpu time spent up to now is 53.2 secs Computing kpt #: 126 total cpu time spent up to now is 53.6 secs Computing kpt #: 127 total cpu time spent up to now is 53.9 secs Computing kpt #: 128 total cpu time spent up to now is 54.3 secs Computing kpt #: 129 total cpu time spent up to now is 54.6 secs Computing kpt #: 130 total cpu time spent up to now is 55.0 secs Computing kpt #: 131 total cpu time spent up to now is 55.3 secs Computing kpt #: 132 total cpu time spent up to now is 55.7 secs Computing kpt #: 133 total cpu time spent up to now is 56.1 secs Computing kpt #: 134 total cpu time spent up to now is 56.4 secs Computing kpt #: 135 total cpu time spent up to now is 56.7 secs Computing kpt #: 136 total cpu time spent up to now is 57.1 secs Computing kpt #: 137 total cpu time spent up to now is 57.4 secs Computing kpt #: 138 total cpu time spent up to now is 57.7 secs Computing kpt #: 139 total cpu time spent up to now is 58.1 secs Computing kpt #: 140 total cpu time spent up to now is 58.4 secs Computing kpt #: 141 total cpu time spent up to now is 58.8 secs Computing kpt #: 142 total cpu time spent up to now is 59.1 secs Computing kpt #: 143 total cpu time spent up to now is 59.5 secs Computing kpt #: 144 total cpu time spent up to now is 59.8 secs Computing kpt #: 145 total cpu time spent up to now is 60.2 secs Computing kpt #: 146 total cpu time spent up to now is 60.5 secs Computing kpt #: 147 total cpu time spent up to now is 60.9 secs Computing kpt #: 148 total cpu time spent up to now is 61.2 secs Computing kpt #: 149 total cpu time spent up to now is 61.6 secs Computing kpt #: 150 total cpu time spent up to now is 61.9 secs Computing kpt #: 151 total cpu time spent up to now is 62.3 secs Computing kpt #: 152 total cpu time spent up to now is 62.7 secs Computing kpt #: 153 total cpu time spent up to now is 63.0 secs Computing kpt #: 154 total cpu time spent up to now is 63.3 secs Computing kpt #: 155 total cpu time spent up to now is 63.7 secs Computing kpt #: 156 total cpu time spent up to now is 64.0 secs Computing kpt #: 157 total cpu time spent up to now is 64.4 secs Computing kpt #: 158 total cpu time spent up to now is 64.8 secs Computing kpt #: 159 total cpu time spent up to now is 65.1 secs Computing kpt #: 160 total cpu time spent up to now is 65.5 secs Computing kpt #: 161 total cpu time spent up to now is 65.8 secs Computing kpt #: 162 total cpu time spent up to now is 66.1 secs Computing kpt #: 163 total cpu time spent up to now is 66.5 secs Computing kpt #: 164 total cpu time spent up to now is 66.8 secs Computing kpt #: 165 total cpu time spent up to now is 67.1 secs Computing kpt #: 166 total cpu time spent up to now is 67.5 secs Computing kpt #: 167 total cpu time spent up to now is 67.8 secs Computing kpt #: 168 total cpu time spent up to now is 68.2 secs Computing kpt #: 169 total cpu time spent up to now is 68.5 secs Computing kpt #: 170 total cpu time spent up to now is 68.9 secs Computing kpt #: 171 total cpu time spent up to now is 69.3 secs Computing kpt #: 172 total cpu time spent up to now is 69.6 secs Computing kpt #: 173 total cpu time spent up to now is 70.0 secs Computing kpt #: 174 total cpu time spent up to now is 70.3 secs Computing kpt #: 175 total cpu time spent up to now is 70.7 secs Computing kpt #: 176 total cpu time spent up to now is 71.1 secs Computing kpt #: 177 total cpu time spent up to now is 71.5 secs Computing kpt #: 178 total cpu time spent up to now is 71.9 secs Computing kpt #: 179 total cpu time spent up to now is 72.2 secs Computing kpt #: 180 total cpu time spent up to now is 72.6 secs Computing kpt #: 181 total cpu time spent up to now is 73.0 secs Computing kpt #: 182 total cpu time spent up to now is 73.4 secs Computing kpt #: 183 total cpu time spent up to now is 73.8 secs Computing kpt #: 184 total cpu time spent up to now is 74.1 secs Computing kpt #: 185 total cpu time spent up to now is 74.5 secs Computing kpt #: 186 total cpu time spent up to now is 74.9 secs Computing kpt #: 187 total cpu time spent up to now is 75.3 secs Computing kpt #: 188 total cpu time spent up to now is 75.6 secs Computing kpt #: 189 total cpu time spent up to now is 76.0 secs Computing kpt #: 190 total cpu time spent up to now is 76.4 secs Computing kpt #: 191 total cpu time spent up to now is 76.7 secs Computing kpt #: 192 total cpu time spent up to now is 77.1 secs Computing kpt #: 193 total cpu time spent up to now is 77.4 secs Computing kpt #: 194 total cpu time spent up to now is 77.8 secs Computing kpt #: 195 total cpu time spent up to now is 78.1 secs Computing kpt #: 196 total cpu time spent up to now is 78.5 secs Computing kpt #: 197 total cpu time spent up to now is 78.8 secs Computing kpt #: 198 total cpu time spent up to now is 79.1 secs Computing kpt #: 199 total cpu time spent up to now is 79.5 secs Computing kpt #: 200 total cpu time spent up to now is 79.8 secs Computing kpt #: 201 total cpu time spent up to now is 80.1 secs Computing kpt #: 202 total cpu time spent up to now is 80.5 secs Computing kpt #: 203 total cpu time spent up to now is 80.9 secs Computing kpt #: 204 total cpu time spent up to now is 81.2 secs Computing kpt #: 205 total cpu time spent up to now is 81.5 secs Computing kpt #: 206 total cpu time spent up to now is 81.9 secs Computing kpt #: 207 total cpu time spent up to now is 82.3 secs Computing kpt #: 208 total cpu time spent up to now is 82.6 secs Computing kpt #: 209 total cpu time spent up to now is 83.0 secs Computing kpt #: 210 total cpu time spent up to now is 83.4 secs Computing kpt #: 211 total cpu time spent up to now is 83.8 secs Computing kpt #: 212 total cpu time spent up to now is 84.2 secs Computing kpt #: 213 total cpu time spent up to now is 84.6 secs Computing kpt #: 214 total cpu time spent up to now is 84.9 secs Computing kpt #: 215 total cpu time spent up to now is 85.3 secs Computing kpt #: 216 total cpu time spent up to now is 85.7 secs Computing kpt #: 217 total cpu time spent up to now is 86.0 secs Computing kpt #: 218 total cpu time spent up to now is 86.4 secs Computing kpt #: 219 total cpu time spent up to now is 86.7 secs Computing kpt #: 220 total cpu time spent up to now is 87.1 secs Computing kpt #: 221 total cpu time spent up to now is 87.4 secs Computing kpt #: 222 total cpu time spent up to now is 87.8 secs Computing kpt #: 223 total cpu time spent up to now is 88.2 secs Computing kpt #: 224 total cpu time spent up to now is 88.5 secs Computing kpt #: 225 total cpu time spent up to now is 89.0 secs Computing kpt #: 226 total cpu time spent up to now is 89.4 secs Computing kpt #: 227 total cpu time spent up to now is 89.8 secs Computing kpt #: 228 total cpu time spent up to now is 90.3 secs Computing kpt #: 229 total cpu time spent up to now is 90.7 secs Computing kpt #: 230 total cpu time spent up to now is 91.1 secs Computing kpt #: 231 total cpu time spent up to now is 91.4 secs Computing kpt #: 232 total cpu time spent up to now is 91.8 secs Computing kpt #: 233 total cpu time spent up to now is 92.2 secs Computing kpt #: 234 total cpu time spent up to now is 92.5 secs Computing kpt #: 235 total cpu time spent up to now is 92.9 secs Computing kpt #: 236 total cpu time spent up to now is 93.3 secs Computing kpt #: 237 total cpu time spent up to now is 93.6 secs Computing kpt #: 238 total cpu time spent up to now is 93.9 secs Computing kpt #: 239 total cpu time spent up to now is 94.3 secs Computing kpt #: 240 total cpu time spent up to now is 94.6 secs Computing kpt #: 241 total cpu time spent up to now is 94.9 secs Computing kpt #: 242 total cpu time spent up to now is 95.3 secs Computing kpt #: 243 total cpu time spent up to now is 95.7 secs Computing kpt #: 244 total cpu time spent up to now is 96.0 secs Computing kpt #: 245 total cpu time spent up to now is 96.3 secs Computing kpt #: 246 total cpu time spent up to now is 96.6 secs Computing kpt #: 247 total cpu time spent up to now is 96.9 secs Computing kpt #: 248 total cpu time spent up to now is 97.3 secs Computing kpt #: 249 total cpu time spent up to now is 97.6 secs Computing kpt #: 250 total cpu time spent up to now is 97.9 secs Computing kpt #: 251 total cpu time spent up to now is 98.2 secs Computing kpt #: 252 total cpu time spent up to now is 98.5 secs Computing kpt #: 253 total cpu time spent up to now is 98.9 secs Computing kpt #: 254 total cpu time spent up to now is 99.2 secs Computing kpt #: 255 total cpu time spent up to now is 99.6 secs Computing kpt #: 256 total cpu time spent up to now is 99.9 secs Computing kpt #: 257 total cpu time spent up to now is 100.2 secs Computing kpt #: 258 total cpu time spent up to now is 100.5 secs Computing kpt #: 259 total cpu time spent up to now is 100.9 secs Computing kpt #: 260 total cpu time spent up to now is 101.2 secs Computing kpt #: 261 total cpu time spent up to now is 101.5 secs Computing kpt #: 262 total cpu time spent up to now is 101.9 secs Computing kpt #: 263 total cpu time spent up to now is 102.3 secs Computing kpt #: 264 total cpu time spent up to now is 102.6 secs Computing kpt #: 265 total cpu time spent up to now is 103.0 secs Computing kpt #: 266 total cpu time spent up to now is 103.4 secs Computing kpt #: 267 total cpu time spent up to now is 103.8 secs Computing kpt #: 268 total cpu time spent up to now is 104.2 secs Computing kpt #: 269 total cpu time spent up to now is 104.6 secs Computing kpt #: 270 total cpu time spent up to now is 105.0 secs Computing kpt #: 271 total cpu time spent up to now is 105.3 secs Computing kpt #: 272 total cpu time spent up to now is 105.7 secs Computing kpt #: 273 total cpu time spent up to now is 106.2 secs Computing kpt #: 274 total cpu time spent up to now is 106.6 secs Computing kpt #: 275 total cpu time spent up to now is 107.0 secs Computing kpt #: 276 total cpu time spent up to now is 107.3 secs Computing kpt #: 277 total cpu time spent up to now is 107.7 secs Computing kpt #: 278 total cpu time spent up to now is 108.1 secs Computing kpt #: 279 total cpu time spent up to now is 108.4 secs Computing kpt #: 280 total cpu time spent up to now is 108.8 secs Computing kpt #: 281 total cpu time spent up to now is 109.1 secs Computing kpt #: 282 total cpu time spent up to now is 109.5 secs Computing kpt #: 283 total cpu time spent up to now is 109.8 secs Computing kpt #: 284 total cpu time spent up to now is 110.1 secs Computing kpt #: 285 total cpu time spent up to now is 110.5 secs Computing kpt #: 286 total cpu time spent up to now is 110.9 secs Computing kpt #: 287 total cpu time spent up to now is 111.2 secs Computing kpt #: 288 total cpu time spent up to now is 111.5 secs Computing kpt #: 289 total cpu time spent up to now is 111.9 secs Computing kpt #: 290 total cpu time spent up to now is 112.2 secs Computing kpt #: 291 total cpu time spent up to now is 112.6 secs Computing kpt #: 292 total cpu time spent up to now is 113.0 secs Computing kpt #: 293 total cpu time spent up to now is 113.3 secs Computing kpt #: 294 total cpu time spent up to now is 113.7 secs Computing kpt #: 295 total cpu time spent up to now is 114.1 secs Computing kpt #: 296 total cpu time spent up to now is 114.4 secs Computing kpt #: 297 total cpu time spent up to now is 114.8 secs Computing kpt #: 298 total cpu time spent up to now is 115.2 secs Computing kpt #: 299 total cpu time spent up to now is 115.6 secs Computing kpt #: 300 total cpu time spent up to now is 116.0 secs Computing kpt #: 301 total cpu time spent up to now is 116.4 secs Computing kpt #: 302 total cpu time spent up to now is 116.7 secs Computing kpt #: 303 total cpu time spent up to now is 117.1 secs Computing kpt #: 304 total cpu time spent up to now is 117.5 secs Computing kpt #: 305 total cpu time spent up to now is 117.9 secs Computing kpt #: 306 total cpu time spent up to now is 118.3 secs Computing kpt #: 307 total cpu time spent up to now is 118.7 secs Computing kpt #: 308 total cpu time spent up to now is 119.0 secs Computing kpt #: 309 total cpu time spent up to now is 119.4 secs Computing kpt #: 310 total cpu time spent up to now is 119.8 secs Computing kpt #: 311 total cpu time spent up to now is 120.2 secs Computing kpt #: 312 total cpu time spent up to now is 120.5 secs Computing kpt #: 313 total cpu time spent up to now is 120.9 secs Computing kpt #: 314 total cpu time spent up to now is 121.3 secs Computing kpt #: 315 total cpu time spent up to now is 121.8 secs Computing kpt #: 316 total cpu time spent up to now is 122.2 secs Computing kpt #: 317 total cpu time spent up to now is 122.6 secs Computing kpt #: 318 total cpu time spent up to now is 123.0 secs Computing kpt #: 319 total cpu time spent up to now is 123.4 secs Computing kpt #: 320 total cpu time spent up to now is 123.8 secs Computing kpt #: 321 total cpu time spent up to now is 124.2 secs Computing kpt #: 322 total cpu time spent up to now is 124.6 secs Computing kpt #: 323 total cpu time spent up to now is 125.0 secs Computing kpt #: 324 total cpu time spent up to now is 125.5 secs Computing kpt #: 325 total cpu time spent up to now is 125.9 secs Computing kpt #: 326 total cpu time spent up to now is 126.3 secs Computing kpt #: 327 total cpu time spent up to now is 126.8 secs Computing kpt #: 328 total cpu time spent up to now is 127.2 secs Computing kpt #: 329 total cpu time spent up to now is 127.7 secs Computing kpt #: 330 total cpu time spent up to now is 128.1 secs Computing kpt #: 331 total cpu time spent up to now is 128.7 secs Computing kpt #: 332 total cpu time spent up to now is 129.2 secs Computing kpt #: 333 total cpu time spent up to now is 129.8 secs Computing kpt #: 334 total cpu time spent up to now is 130.5 secs Computing kpt #: 335 total cpu time spent up to now is 131.2 secs Computing kpt #: 336 total cpu time spent up to now is 131.9 secs Computing kpt #: 337 total cpu time spent up to now is 132.8 secs ethr = 3.57E-08, avg # of iterations = 19.2 total cpu time spent up to now is 132.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2133 PWs) bands (ev): -1.9812 -1.9812 0.0494 0.0494 0.0494 0.0494 0.5834 0.5834 0.8000 0.8000 0.8000 0.8000 6.6003 6.6003 6.6003 6.6003 6.6503 6.6503 7.2037 7.2037 7.2037 7.2037 10.3651 10.3651 10.6970 10.6970 10.9752 10.9752 10.9752 10.9752 11.9608 11.9608 12.2615 12.2615 12.2615 12.2615 k = 0.0098-0.0057 0.0080 ( 2161 PWs) bands (ev): -1.9802 -1.9802 0.0483 0.0483 0.0502 0.0502 0.5833 0.5833 0.7986 0.7986 0.8009 0.8009 6.5987 6.5987 6.6001 6.6001 6.6494 6.6494 7.2019 7.2019 7.2046 7.2046 10.3468 10.3468 10.6750 10.6750 10.9597 10.9597 11.0073 11.0073 11.9689 11.9689 12.2581 12.2581 12.2720 12.2720 k = 0.0196-0.0113 0.0160 ( 2169 PWs) bands (ev): -1.9773 -1.9773 0.0477 0.0477 0.0515 0.0515 0.5838 0.5838 0.7974 0.7974 0.8021 0.8021 6.5963 6.5963 6.5994 6.5994 6.6474 6.6474 7.1992 7.1992 7.2050 7.2050 10.2959 10.2959 10.6251 10.6251 10.9157 10.9157 11.0837 11.0837 11.9847 11.9847 12.2555 12.2555 12.3030 12.3030 k = 0.0294-0.0170 0.0240 ( 2169 PWs) bands (ev): -1.9723 -1.9723 0.0475 0.0475 0.0531 0.0531 0.5848 0.5848 0.7964 0.7964 0.8034 0.8034 6.5925 6.5925 6.5978 6.5978 6.6444 6.6444 7.1955 7.1955 7.2053 7.2053 10.2216 10.2216 10.5636 10.5636 10.8495 10.8495 11.1809 11.1809 11.9847 11.9847 12.2739 12.2739 12.3524 12.3524 k = 0.0392-0.0226 0.0320 ( 2169 PWs) bands (ev): -1.9654 -1.9654 0.0474 0.0474 0.0551 0.0551 0.5860 0.5860 0.7954 0.7954 0.8048 0.8048 6.5870 6.5870 6.5955 6.5955 6.6405 6.6405 7.1905 7.1905 7.2055 7.2055 10.1331 10.1331 10.4945 10.4945 10.7676 10.7676 11.2882 11.2882 11.9521 11.9521 12.3281 12.3281 12.4180 12.4180 k = 0.0490-0.0283 0.0400 ( 2169 PWs) bands (ev): -1.9566 -1.9566 0.0476 0.0476 0.0573 0.0573 0.5876 0.5876 0.7946 0.7946 0.8065 0.8065 6.5795 6.5795 6.5924 6.5924 6.6359 6.6359 7.1842 7.1842 7.2057 7.2057 10.0367 10.0367 10.4186 10.4186 10.6752 10.6752 11.4009 11.4009 11.8926 11.8926 12.4112 12.4112 12.4971 12.4971 k = 0.0588-0.0340 0.0480 ( 2169 PWs) bands (ev): -1.9459 -1.9459 0.0480 0.0480 0.0599 0.0599 0.5895 0.5895 0.7937 0.7937 0.8082 0.8082 6.5698 6.5698 6.5886 6.5886 6.6308 6.6308 7.1767 7.1767 7.2058 7.2058 9.9363 9.9363 10.3367 10.3367 10.5760 10.5760 11.5164 11.5164 11.8174 11.8174 12.5115 12.5115 12.5873 12.5873 k = 0.0686-0.0396 0.0560 ( 2169 PWs) bands (ev): -1.9333 -1.9333 0.0487 0.0487 0.0629 0.0629 0.5918 0.5918 0.7929 0.7929 0.8101 0.8101 6.5574 6.5574 6.5843 6.5843 6.6255 6.6255 7.1680 7.1680 7.2060 7.2060 9.8342 9.8342 10.2499 10.2499 10.4726 10.4726 11.6332 11.6332 11.7337 11.7337 12.6218 12.6218 12.6870 12.6870 k = 0.0784-0.0453 0.0640 ( 2169 PWs) bands (ev): -1.9188 -1.9188 0.0495 0.0495 0.0662 0.0662 0.5944 0.5944 0.7921 0.7921 0.8121 0.8121 6.5422 6.5422 6.5793 6.5793 6.6200 6.6200 7.1580 7.1580 7.2061 7.2061 9.7318 9.7318 10.1593 10.1593 10.3667 10.3667 11.6455 11.6455 11.7501 11.7501 12.7381 12.7381 12.7947 12.7947 k = 0.0882-0.0509 0.0720 ( 2165 PWs) bands (ev): -1.9026 -1.9026 0.0506 0.0506 0.0700 0.0700 0.5973 0.5973 0.7915 0.7915 0.8144 0.8144 6.5240 6.5240 6.5738 6.5738 6.6145 6.6145 7.1470 7.1470 7.2063 7.2063 9.6298 9.6298 10.0659 10.0659 10.2594 10.2594 11.5552 11.5552 11.8658 11.8658 12.8577 12.8577 12.9096 12.9096 k = 0.0980-0.0566 0.0800 ( 2165 PWs) bands (ev): -1.8847 -1.8847 0.0518 0.0518 0.0741 0.0741 0.6006 0.6006 0.7908 0.7908 0.8168 0.8168 6.5027 6.5027 6.5678 6.5678 6.6089 6.6089 7.1349 7.1349 7.2065 7.2065 9.5290 9.5290 9.9705 9.9705 10.1515 10.1515 11.4644 11.4644 11.9793 11.9793 12.9793 12.9793 13.0308 13.0308 k = 0.1078-0.0623 0.0881 ( 2173 PWs) bands (ev): -1.8650 -1.8650 0.0530 0.0530 0.0786 0.0786 0.6041 0.6041 0.7901 0.7901 0.8194 0.8194 6.4781 6.4781 6.5611 6.5611 6.6030 6.6030 7.1219 7.1219 7.2067 7.2067 9.4298 9.4298 9.8739 9.8739 10.0436 10.0436 11.3743 11.3743 12.0894 12.0894 13.1021 13.1021 13.1572 13.1572 k = 0.1176-0.0679 0.0961 ( 2173 PWs) bands (ev): -1.8438 -1.8438 0.0545 0.0545 0.0836 0.0836 0.6080 0.6080 0.7896 0.7896 0.8223 0.8223 6.4502 6.4502 6.5541 6.5541 6.5972 6.5972 7.1080 7.1080 7.2070 7.2070 9.3324 9.3324 9.7767 9.7767 9.9361 9.9361 11.2855 11.2855 12.1946 12.1946 13.2260 13.2260 13.2877 13.2877 k = 0.1275-0.0736 0.1041 ( 2173 PWs) bands (ev): -1.8210 -1.8210 0.0562 0.0562 0.0891 0.0891 0.6122 0.6122 0.7891 0.7891 0.8254 0.8254 6.4187 6.4187 6.5468 6.5468 6.5913 6.5913 7.0935 7.0935 7.2073 7.2073 9.2372 9.2372 9.6792 9.6792 9.8295 9.8295 11.1985 11.1985 12.2933 12.2933 13.3512 13.3512 13.4212 13.4212 k = 0.1373-0.0792 0.1121 ( 2181 PWs) bands (ev): -1.7968 -1.7968 0.0578 0.0578 0.0950 0.0950 0.6166 0.6166 0.7886 0.7886 0.8288 0.8288 6.3836 6.3836 6.5389 6.5389 6.5851 6.5851 7.0785 7.0785 7.2076 7.2076 9.1444 9.1444 9.5819 9.5819 9.7239 9.7239 11.1139 11.1139 12.3836 12.3836 13.4774 13.4774 13.5571 13.5571 k = 0.1471-0.0849 0.1201 ( 2185 PWs) bands (ev): -1.7712 -1.7712 0.0597 0.0597 0.1015 0.1015 0.6214 0.6214 0.7883 0.7883 0.8325 0.8325 6.3446 6.3446 6.5308 6.5308 6.5789 6.5789 7.0630 7.0630 7.2081 7.2081 9.0540 9.0540 9.4851 9.4851 9.6195 9.6195 11.0318 11.0318 12.4632 12.4632 13.6045 13.6045 13.6949 13.6949 k = 0.1569-0.0906 0.1281 ( 2185 PWs) bands (ev): -1.7443 -1.7443 0.0616 0.0616 0.1087 0.1087 0.6263 0.6263 0.7881 0.7881 0.8367 0.8367 6.3017 6.3017 6.5225 6.5225 6.5727 6.5727 7.0474 7.0474 7.2085 7.2085 8.9663 8.9663 9.3891 9.3891 9.5166 9.5166 10.9524 10.9524 12.5300 12.5300 13.7323 13.7323 13.8342 13.8342 k = 0.1667-0.0962 0.1361 ( 2197 PWs) bands (ev): -1.7163 -1.7163 0.0635 0.0635 0.1163 0.1163 0.6314 0.6314 0.7880 0.7880 0.8411 0.8411 6.2546 6.2546 6.5138 6.5138 6.5663 6.5663 7.0317 7.0317 7.2090 7.2090 8.8813 8.8813 9.2940 9.2940 9.4153 9.4153 10.8758 10.8758 12.5817 12.5817 13.8606 13.8606 13.9749 13.9749 k = 0.1765-0.1019 0.1441 ( 2197 PWs) bands (ev): -1.6873 -1.6873 0.0655 0.0655 0.1246 0.1246 0.6368 0.6368 0.7883 0.7883 0.8462 0.8462 6.2033 6.2033 6.5050 6.5050 6.5600 6.5600 7.0163 7.0163 7.2096 7.2096 8.7991 8.7991 9.2002 9.2002 9.3158 9.3158 10.8023 10.8023 12.6165 12.6165 13.9892 13.9892 14.1167 14.1167 k = 0.1863-0.1075 0.1521 ( 2193 PWs) bands (ev): -1.6574 -1.6574 0.0676 0.0676 0.1337 0.1337 0.6423 0.6423 0.7888 0.7888 0.8518 0.8518 6.1478 6.1478 6.4960 6.4960 6.5537 6.5537 7.0013 7.0013 7.2102 7.2102 8.7198 8.7198 9.1078 9.1078 9.2180 9.2180 10.7317 10.7317 12.6333 12.6333 14.1181 14.1181 14.2597 14.2597 k = 0.1961-0.1132 0.1601 ( 2193 PWs) bands (ev): -1.6266 -1.6266 0.0697 0.0697 0.1434 0.1434 0.6478 0.6478 0.7896 0.7896 0.8580 0.8580 6.0878 6.0878 6.4869 6.4869 6.5475 6.5475 6.9867 6.9867 7.2109 7.2109 8.6433 8.6433 9.0168 9.0168 9.1223 9.1223 10.6641 10.6641 12.6322 12.6322 14.2473 14.2473 14.4037 14.4037 k = 0.2059-0.1189 0.1681 ( 2193 PWs) bands (ev): -1.5953 -1.5953 0.0718 0.0718 0.1538 0.1538 0.6533 0.6533 0.7907 0.7907 0.8649 0.8649 6.0236 6.0236 6.4777 6.4777 6.5413 6.5413 6.9729 6.9729 7.2116 7.2116 8.5696 8.5696 8.9276 8.9276 9.0286 9.0286 10.5996 10.5996 12.6142 12.6142 14.3770 14.3770 14.5487 14.5487 k = 0.2157-0.1245 0.1761 ( 2197 PWs) bands (ev): -1.5635 -1.5635 0.0738 0.0738 0.1648 0.1648 0.6587 0.6587 0.7922 0.7922 0.8727 0.8727 5.9550 5.9550 6.4684 6.4684 6.5352 6.5352 6.9596 6.9596 7.2123 7.2123 8.4986 8.4986 8.8401 8.8401 8.9370 8.9370 10.5381 10.5381 12.5814 12.5814 14.5075 14.5075 14.6946 14.6946 k = 0.2255-0.1302 0.1841 ( 2197 PWs) bands (ev): -1.5314 -1.5314 0.0759 0.0759 0.1766 0.1766 0.6640 0.6640 0.7941 0.7941 0.8815 0.8815 5.8823 5.8823 6.4591 6.4591 6.5293 6.5293 6.9472 6.9472 7.2131 7.2131 8.4304 8.4304 8.7545 8.7545 8.8477 8.8477 10.4796 10.4796 12.5361 12.5361 14.6391 14.6391 14.8416 14.8416 k = 0.2353-0.1358 0.1921 ( 2193 PWs) bands (ev): -1.4991 -1.4991 0.0778 0.0778 0.1892 0.1892 0.6691 0.6691 0.7966 0.7966 0.8915 0.8915 5.8056 5.8056 6.4500 6.4500 6.5237 6.5237 6.9358 6.9358 7.2140 7.2140 8.3648 8.3648 8.6709 8.6709 8.7607 8.7607 10.4240 10.4240 12.4813 12.4813 14.7720 14.7720 14.9895 14.9895 k = 0.2451-0.1415 0.2001 ( 2181 PWs) bands (ev): -1.4668 -1.4668 0.0799 0.0799 0.2024 0.2024 0.6740 0.6740 0.7996 0.7996 0.9029 0.9029 5.7250 5.7250 6.4409 6.4409 6.5184 6.5184 6.9255 6.9255 7.2149 7.2149 8.3017 8.3017 8.5895 8.5895 8.6762 8.6762 10.3713 10.3713 12.4192 12.4192 14.9066 14.9066 15.1384 15.1384 k = 0.2549-0.1472 0.2081 ( 2181 PWs) bands (ev): -1.4347 -1.4347 0.0817 0.0817 0.2161 0.2161 0.6783 0.6783 0.8029 0.8029 0.9158 0.9158 5.6409 5.6409 6.4318 6.4318 6.5133 6.5133 6.9161 6.9161 7.2157 7.2157 8.2409 8.2409 8.5102 8.5102 8.5941 8.5941 10.3215 10.3215 12.3522 12.3522 15.0430 15.0430 15.2882 15.2882 k = 0.2647-0.1528 0.2161 ( 2185 PWs) bands (ev): -1.4030 -1.4030 0.0833 0.0833 0.2304 0.2304 0.6822 0.6822 0.8066 0.8066 0.9304 0.9304 5.5535 5.5535 6.4229 6.4229 6.5085 6.5085 6.9078 6.9078 7.2166 7.2166 8.1823 8.1823 8.4331 8.4331 8.5145 8.5145 10.2744 10.2744 12.2822 12.2822 15.1811 15.1811 15.4390 15.4390 k = 0.2745-0.1585 0.2241 ( 2193 PWs) bands (ev): -1.3717 -1.3717 0.0848 0.0848 0.2450 0.2450 0.6857 0.6857 0.8105 0.8105 0.9471 0.9471 5.4630 5.4630 6.4141 6.4141 6.5040 6.5040 6.9007 6.9007 7.2174 7.2174 8.1258 8.1258 8.3584 8.3584 8.4375 8.4375 10.2300 10.2300 12.2107 12.2107 15.3211 15.3211 15.5908 15.5908 k = 0.2843-0.1641 0.2321 ( 2193 PWs) bands (ev): -1.3411 -1.3411 0.0862 0.0862 0.2601 0.2601 0.6887 0.6887 0.8149 0.8149 0.9661 0.9661 5.3698 5.3698 6.4055 6.4055 6.5000 6.5000 6.8948 6.8948 7.2183 7.2183 8.0712 8.0712 8.2863 8.2863 8.3633 8.3633 10.1883 10.1883 12.1388 12.1388 15.4629 15.4629 15.7437 15.7437 k = 0.2941-0.1698 0.2401 ( 2185 PWs) bands (ev): -1.3114 -1.3114 0.0876 0.0876 0.2754 0.2754 0.6914 0.6914 0.8195 0.8195 0.9876 0.9876 5.2743 5.2743 6.3973 6.3973 6.4964 6.4964 6.8902 6.8902 7.2192 7.2192 8.0185 8.0185 8.2167 8.2167 8.2919 8.2919 10.1491 10.1491 12.0677 12.0677 15.6065 15.6065 15.8976 15.8976 k = 0.3039-0.1755 0.2482 ( 2185 PWs) bands (ev): -1.2826 -1.2826 0.0887 0.0887 0.2908 0.2908 0.6936 0.6936 0.8243 0.8243 1.0117 1.0117 5.1767 5.1767 6.3893 6.3893 6.4932 6.4932 6.8866 6.8866 7.2201 7.2201 7.9673 7.9673 8.1497 8.1497 8.2234 8.2234 10.1124 10.1124 11.9980 11.9980 15.7517 15.7517 16.0525 16.0525 k = 0.3137-0.1811 0.2562 ( 2185 PWs) bands (ev): -1.2548 -1.2548 0.0897 0.0897 0.3061 0.3061 0.6955 0.6955 0.8290 0.8290 1.0386 1.0386 5.0776 5.0776 6.3815 6.3815 6.4905 6.4905 6.8844 6.8844 7.2210 7.2210 7.9176 7.9176 8.0856 8.0856 8.1578 8.1578 10.0782 10.0782 11.9303 11.9303 15.8985 15.8985 16.2085 16.2085 k = 0.3235-0.1868 0.2642 ( 2181 PWs) bands (ev): -1.2283 -1.2283 0.0907 0.0907 0.3211 0.3211 0.6972 0.6972 0.8338 0.8338 1.0684 1.0684 4.9772 4.9772 6.3740 6.3740 6.4882 6.4882 6.8834 6.8834 7.2219 7.2219 7.8692 7.8692 8.0243 8.0243 8.0952 8.0952 10.0463 10.0463 11.8650 11.8650 16.0468 16.0468 16.3656 16.3656 k = 0.3333-0.1925 0.2722 ( 2181 PWs) bands (ev): -1.2031 -1.2031 0.0914 0.0914 0.3358 0.3358 0.6986 0.6986 0.8385 0.8385 1.1011 1.1011 4.8760 4.8760 6.3669 6.3669 6.4863 6.4863 6.8836 6.8836 7.2228 7.2228 7.8220 7.8220 7.9660 7.9660 8.0358 8.0358 10.0166 10.0166 11.8026 11.8026 16.1965 16.1965 16.5238 16.5238 k = 0.3431-0.1981 0.2802 ( 2181 PWs) bands (ev): -1.1792 -1.1792 0.0920 0.0920 0.3500 0.3500 0.6997 0.6997 0.8431 0.8431 1.1367 1.1367 4.7743 4.7743 6.3601 6.3601 6.4849 6.4849 6.8849 6.8849 7.2236 7.2236 7.7759 7.7759 7.9108 7.9108 7.9794 7.9794 9.9891 9.9891 11.7432 11.7432 16.3475 16.3475 16.6831 16.6831 k = 0.3529-0.2038 0.2882 ( 2185 PWs) bands (ev): -1.1568 -1.1568 0.0924 0.0924 0.3635 0.3635 0.7007 0.7007 0.8476 0.8476 1.1752 1.1752 4.6727 4.6727 6.3536 6.3536 6.4840 6.4840 6.8874 6.8874 7.2245 7.2245 7.7309 7.7309 7.8587 7.8587 7.9263 7.9263 9.9637 9.9637 11.6871 11.6871 16.4997 16.4997 16.8436 16.8436 k = 0.3627-0.2094 0.2962 ( 2201 PWs) bands (ev): -1.1359 -1.1359 0.0925 0.0925 0.3762 0.3762 0.7014 0.7014 0.8517 0.8517 1.2161 1.2161 4.5716 4.5716 6.3475 6.3475 6.4834 6.4834 6.8910 6.8910 7.2253 7.2253 7.6869 7.6869 7.8098 7.8098 7.8765 7.8765 9.9404 9.9404 11.6344 11.6344 16.6530 16.6530 17.0053 17.0053 k = 0.3725-0.2151 0.3042 ( 2193 PWs) bands (ev): -1.1165 -1.1165 0.0929 0.0929 0.3883 0.3883 0.7023 0.7023 0.8559 0.8559 1.2597 1.2597 4.4716 4.4716 6.3419 6.3419 6.4833 6.4833 6.8957 6.8957 7.2261 7.2261 7.6441 7.6441 7.7642 7.7642 7.8301 7.8301 9.9190 9.9190 11.5853 11.5853 16.8072 16.8072 17.1681 17.1681 k = 0.3824-0.2208 0.3122 ( 2193 PWs) bands (ev): -1.0986 -1.0986 0.0931 0.0931 0.3994 0.3994 0.7030 0.7030 0.8598 0.8598 1.3053 1.3053 4.3731 4.3731 6.3367 6.3367 6.4836 6.4836 6.9014 6.9014 7.2270 7.2270 7.6025 7.6025 7.7217 7.7217 7.7870 7.7870 9.8995 9.8995 11.5397 11.5397 16.9622 16.9622 17.3320 17.3320 k = 0.3922-0.2264 0.3202 ( 2201 PWs) bands (ev): -1.0824 -1.0824 0.0931 0.0931 0.4096 0.4096 0.7035 0.7035 0.8634 0.8634 1.3524 1.3524 4.2769 4.2769 6.3318 6.3318 6.4843 6.4843 6.9079 6.9079 7.2279 7.2279 7.5624 7.5624 7.6824 7.6824 7.7474 7.7474 9.8819 9.8819 11.4977 11.4977 17.1176 17.1176 17.4971 17.4971 k = 0.4020-0.2321 0.3282 ( 2200 PWs) bands (ev): -1.0676 -1.0676 0.0931 0.0931 0.4188 0.4188 0.7041 0.7041 0.8668 0.8668 1.4008 1.4008 4.1835 4.1835 6.3274 6.3274 6.4852 6.4852 6.9153 6.9153 7.2289 7.2289 7.5240 7.5240 7.6461 7.6461 7.7113 7.7113 9.8660 9.8660 11.4594 11.4594 17.2731 17.2731 17.6633 17.6633 k = 0.4118-0.2377 0.3362 ( 2184 PWs) bands (ev): -1.0542 -1.0542 0.0931 0.0931 0.4274 0.4274 0.7048 0.7048 0.8701 0.8701 1.4496 1.4496 4.0939 4.0939 6.3235 6.3235 6.4865 6.4865 6.9235 6.9235 7.2301 7.2301 7.4875 7.4875 7.6130 7.6130 7.6787 7.6787 9.8518 9.8518 11.4248 11.4248 17.4282 17.4282 17.8305 17.8305 k = 0.4216-0.2434 0.3442 ( 2184 PWs) bands (ev): -1.0424 -1.0424 0.0930 0.0930 0.4348 0.4348 0.7052 0.7052 0.8730 0.8730 1.4980 1.4980 4.0087 4.0087 6.3200 6.3200 6.4878 6.4878 6.9320 6.9320 7.2315 7.2315 7.4531 7.4531 7.5828 7.5828 7.6495 7.6495 9.8392 9.8392 11.3938 11.3938 17.5822 17.5822 17.9986 17.9986 k = 0.4314-0.2491 0.3522 ( 2192 PWs) bands (ev): -1.0320 -1.0320 0.0928 0.0928 0.4412 0.4412 0.7056 0.7056 0.8755 0.8755 1.5450 1.5450 3.9291 3.9291 6.3168 6.3168 6.4892 6.4892 6.9408 6.9408 7.2331 7.2331 7.4209 7.4209 7.5557 7.5557 7.6237 7.6237 9.8282 9.8282 11.3665 11.3665 17.7339 17.7339 18.1673 18.1674 k = 0.4412-0.2547 0.3602 ( 2200 PWs) bands (ev): -1.0231 -1.0231 0.0925 0.0925 0.4467 0.4467 0.7058 0.7058 0.8776 0.8776 1.5897 1.5897 3.8562 3.8562 6.3141 6.3141 6.4907 6.4907 6.9497 6.9497 7.2352 7.2352 7.3911 7.3911 7.5317 7.5317 7.6014 7.6014 9.8188 9.8188 11.3429 11.3429 17.8816 17.8816 18.3363 18.3363 k = 0.4510-0.2604 0.3682 ( 2204 PWs) bands (ev): -1.0157 -1.0157 0.0923 0.0923 0.4513 0.4513 0.7061 0.7061 0.8795 0.8795 1.6308 1.6308 3.7911 3.7911 6.3118 6.3118 6.4921 6.4921 6.9583 6.9583 7.2379 7.2379 7.3640 7.3640 7.5111 7.5111 7.5826 7.5826 9.8109 9.8109 11.3229 11.3229 18.0225 18.0225 18.5036 18.5036 k = 0.4608-0.2660 0.3762 ( 2196 PWs) bands (ev): -1.0096 -1.0096 0.0923 0.0923 0.4553 0.4553 0.7064 0.7064 0.8812 0.8812 1.6671 1.6671 3.7353 3.7353 6.3099 6.3099 6.4934 6.4934 6.9662 6.9662 7.2415 7.2415 7.3397 7.3397 7.4941 7.4941 7.5673 7.5673 9.8045 9.8045 11.3066 11.3066 18.1524 18.1524 18.6603 18.6603 k = 0.4706-0.2717 0.3842 ( 2200 PWs) bands (ev): -1.0049 -1.0049 0.0921 0.0921 0.4582 0.4582 0.7066 0.7066 0.8825 0.8825 1.6971 1.6971 3.6899 3.6899 6.3085 6.3085 6.4945 6.4945 6.9731 6.9731 7.2462 7.2462 7.3182 7.3182 7.4806 7.4806 7.5554 7.5554 9.7996 9.7996 11.2939 11.2939 18.2651 18.2651 18.7904 18.7904 k = 0.4804-0.2774 0.3922 ( 2200 PWs) bands (ev): -1.0015 -1.0015 0.0920 0.0920 0.4603 0.4603 0.7067 0.7067 0.8834 0.8834 1.7197 1.7197 3.6564 3.6564 6.3075 6.3075 6.4953 6.4953 6.9784 6.9784 7.2523 7.2523 7.2996 7.2996 7.4709 7.4709 7.5469 7.5469 9.7960 9.7960 11.2849 11.2849 18.3530 18.3530 18.9130 18.9131 k = 0.4902-0.2830 0.4002 ( 2200 PWs) bands (ev): -0.9995 -0.9995 0.0919 0.0919 0.4615 0.4615 0.7068 0.7068 0.8839 0.8839 1.7337 1.7337 3.6359 3.6359 6.3068 6.3068 6.4959 6.4959 6.9818 6.9818 7.2603 7.2603 7.2840 7.2840 7.4650 7.4650 7.5418 7.5418 9.7939 9.7939 11.2794 11.2794 18.4089 18.4089 19.0414 19.0414 k = 0.5000-0.2887 0.4082 ( 2200 PWs) bands (ev): -0.9989 -0.9989 0.0919 0.0919 0.4619 0.4619 0.7069 0.7069 0.8841 0.8841 1.7385 1.7385 3.6289 3.6289 6.3066 6.3066 6.4960 6.4960 6.9829 6.9829 7.2684 7.2684 7.2734 7.2734 7.4630 7.4630 7.5401 7.5401 9.7932 9.7932 11.2776 11.2776 18.4280 18.4280 19.1737 19.1738 k = 0.5000-0.2887 0.4082 ( 2200 PWs) bands (ev): -0.9989 -0.9989 0.0919 0.0919 0.4619 0.4619 0.7069 0.7069 0.8841 0.8841 1.7385 1.7385 3.6289 3.6289 6.3066 6.3066 6.4960 6.4960 6.9829 6.9829 7.2684 7.2684 7.2734 7.2734 7.4630 7.4630 7.5401 7.5401 9.7932 9.7932 11.2776 11.2776 18.4280 18.4280 19.1737 19.1738 k = 0.5000-0.2776 0.4161 ( 2200 PWs) bands (ev): -1.0015 -0.9962 0.0896 0.0945 0.4513 0.4720 0.7035 0.7106 0.8814 0.8866 1.7341 1.7439 3.6273 3.6323 6.2994 6.3080 6.4892 6.4967 6.9805 6.9840 7.2486 7.2661 7.2715 7.2958 7.4419 7.4782 7.5398 7.5459 9.8008 9.8032 11.2814 11.2848 18.3997 18.4059 19.0826 19.1076 k = 0.5000-0.2665 0.4240 ( 2200 PWs) bands (ev): -1.0041 -0.9936 0.0877 0.0974 0.4403 0.4815 0.7005 0.7148 0.8784 0.8888 1.7308 1.7503 3.6275 3.6376 6.2860 6.3035 6.4768 6.4909 6.9769 6.9835 7.2257 7.2619 7.2731 7.3161 7.4192 7.4848 7.5425 7.5586 9.8258 9.8304 11.2962 11.3030 18.3250 18.3358 18.9635 19.0079 k = 0.5000-0.2554 0.4318 ( 2200 PWs) bands (ev): -1.0067 -0.9909 0.0861 0.1005 0.4289 0.4905 0.6979 0.7193 0.8753 0.8907 1.7285 1.7576 3.6295 3.6447 6.2658 6.2927 6.4600 6.4790 6.9723 6.9815 7.2048 7.2571 7.2735 7.3305 7.3996 7.4850 7.5467 7.5755 9.8677 9.8743 11.3219 11.3320 18.2119 18.2254 18.8166 18.8704 k = 0.5000-0.2443 0.4397 ( 2212 PWs) bands (ev): -1.0093 -0.9883 0.0848 0.1038 0.4170 0.4988 0.6957 0.7240 0.8718 0.8924 1.7271 1.7656 3.6333 3.6535 6.2383 6.2748 6.4399 6.4621 6.9668 6.9779 7.1868 7.2515 7.2722 7.3332 7.3903 7.4817 7.5519 7.5934 9.9257 9.9340 11.3582 11.3715 18.0697 18.0842 18.6451 18.7019 k = 0.5000-0.2332 0.4475 ( 2208 PWs) bands (ev): -1.0117 -0.9857 0.0840 0.1074 0.4049 0.5066 0.6939 0.7292 0.8683 0.8938 1.7270 1.7746 3.6388 3.6642 6.2029 6.2489 6.4178 6.4418 6.9611 6.9736 7.1722 7.2455 7.2684 7.3242 7.3929 7.4768 7.5579 7.6102 9.9989 10.0086 11.4050 11.4213 17.9063 17.9208 18.4562 18.5136 k = 0.5000-0.2221 0.4554 ( 2210 PWs) bands (ev): -1.0141 -0.9831 0.0835 0.1112 0.3925 0.5137 0.6924 0.7346 0.8645 0.8949 1.7280 1.7844 3.6461 3.6768 6.1595 6.2141 6.3947 6.4198 6.9551 6.9687 7.1608 7.2388 7.2607 7.3132 7.3996 7.4712 7.5644 7.6255 10.0861 10.0968 11.4618 11.4811 17.7276 17.7415 18.2559 18.3132 k = 0.5000-0.2110 0.4632 ( 2210 PWs) bands (ev): -1.0166 -0.9806 0.0835 0.1151 0.3800 0.5205 0.6912 0.7403 0.8607 0.8959 1.7298 1.7946 3.6550 3.6911 6.1087 6.1705 6.3710 6.3974 6.9491 6.9637 7.1521 7.2318 7.2491 7.3054 7.4058 7.4653 7.5713 7.6388 10.1861 10.1975 11.5283 11.5504 17.5375 17.5505 18.0482 18.1051 k = 0.5000-0.1999 0.4711 ( 2210 PWs) bands (ev): -1.0188 -0.9781 0.0839 0.1190 0.3673 0.5266 0.6903 0.7462 0.8568 0.8964 1.7326 1.8055 3.6656 3.7071 6.0513 6.1188 6.3471 6.3753 6.9431 6.9590 7.1456 7.2244 7.2353 7.3009 7.4105 7.4593 7.5783 7.6503 10.2977 10.3096 11.6041 11.6288 17.3389 17.3510 17.8360 17.8923 k = 0.5000-0.1887 0.4789 ( 2214 PWs) bands (ev): -1.0210 -0.9757 0.0847 0.1231 0.3545 0.5322 0.6896 0.7522 0.8528 0.8967 1.7362 1.8166 3.6778 3.7249 5.9886 6.0605 6.3228 6.3535 6.9373 6.9545 7.1407 7.2169 7.2210 7.2983 7.4135 7.4536 7.5852 7.6600 10.4198 10.4319 11.6887 11.7159 17.1339 17.1450 17.6210 17.6767 k = 0.5000-0.1776 0.4868 ( 2206 PWs) bands (ev): -1.0231 -0.9733 0.0859 0.1272 0.3419 0.5375 0.6892 0.7585 0.8489 0.8969 1.7406 1.8281 3.6915 3.7445 5.9218 5.9974 6.2984 6.3321 6.9318 6.9506 7.1371 7.2076 7.2093 7.2966 7.4152 7.4481 7.5919 7.6684 10.5513 10.5635 11.7817 11.8113 16.9241 16.9341 17.4045 17.4595 k = 0.5000-0.1665 0.4946 ( 2206 PWs) bands (ev): -1.0251 -0.9710 0.0876 0.1312 0.3292 0.5423 0.6887 0.7649 0.8449 0.8967 1.7455 1.8397 3.7067 3.7656 5.8520 5.9308 6.2737 6.3108 6.9266 6.9472 7.1343 7.1953 7.2019 7.2954 7.4157 7.4430 7.5981 7.6754 10.6914 10.7035 11.8828 11.9144 16.7106 16.7195 17.1874 17.2418 k = 0.5000-0.1554 0.5025 ( 2212 PWs) bands (ev): -1.0270 -0.9688 0.0896 0.1352 0.3164 0.5466 0.6883 0.7712 0.8409 0.8961 1.7509 1.8513 3.7233 3.7883 5.7802 5.8623 6.2490 6.2895 6.9217 6.9441 7.1321 7.1843 7.1946 7.2944 7.4155 7.4382 7.6038 7.6813 10.8391 10.8511 11.9914 12.0250 16.4943 16.5021 16.9704 17.0241 k = 0.5000-0.1443 0.5103 ( 2206 PWs) bands (ev): -1.0288 -0.9667 0.0921 0.1392 0.3040 0.5509 0.6879 0.7778 0.8372 0.8954 1.7568 1.8629 3.7410 3.8125 5.7076 5.7930 6.2245 6.2684 6.9173 6.9415 7.1305 7.1745 7.1877 7.2935 7.4147 7.4339 7.6090 7.6863 10.9939 11.0056 12.1071 12.1425 16.2760 16.2829 16.7541 16.8071 k = 0.5000-0.1332 0.5182 ( 2202 PWs) bands (ev): -1.0304 -0.9647 0.0951 0.1429 0.2917 0.5549 0.6873 0.7844 0.8336 0.8944 1.7629 1.8743 3.7598 3.8380 5.6349 5.7240 6.2004 6.2476 6.9133 6.9391 7.1290 7.1659 7.1814 7.2929 7.4135 7.4301 7.6137 7.6904 11.1549 11.1663 12.2296 12.2667 16.0564 16.0622 16.5389 16.5911 k = 0.5000-0.1221 0.5260 ( 2200 PWs) bands (ev): -1.0320 -0.9629 0.0984 0.1465 0.2796 0.5589 0.6866 0.7909 0.8302 0.8931 1.7692 1.8853 3.7794 3.8646 5.5629 5.6561 6.1768 6.2272 6.9096 6.9371 7.1278 7.1584 7.1755 7.2923 7.4121 7.4266 7.6179 7.6939 11.3217 11.3328 12.3584 12.3971 15.8359 15.8408 16.3251 16.3766 k = 0.5000-0.1110 0.5339 ( 2196 PWs) bands (ev): -1.0335 -0.9611 0.1022 0.1499 0.2677 0.5626 0.6858 0.7975 0.8271 0.8915 1.7754 1.8958 3.7996 3.8921 5.4925 5.5904 6.1542 6.2075 6.9064 6.9353 7.1267 7.1519 7.1702 7.2917 7.4106 7.4234 7.6216 7.6969 11.4937 11.5044 12.4932 12.5335 15.6150 15.6191 16.1130 16.1638 k = 0.5000-0.0999 0.5417 ( 2196 PWs) bands (ev): -1.0348 -0.9595 0.1063 0.1531 0.2561 0.5661 0.6847 0.8039 0.8241 0.8896 1.7815 1.9057 3.8201 3.9202 5.4244 5.5274 6.1327 6.1887 6.9035 6.9337 7.1257 7.1463 7.1654 7.2912 7.4091 7.4206 7.6248 7.6993 11.6706 11.6809 12.6337 12.6754 15.3941 15.3974 15.9028 15.9529 k = 0.5000-0.0888 0.5496 ( 2188 PWs) bands (ev): -1.0359 -0.9581 0.1109 0.1560 0.2450 0.5696 0.6836 0.8103 0.8216 0.8876 1.7875 1.9150 3.8406 3.9485 5.3594 5.4681 6.1127 6.1711 6.9011 6.9325 7.1249 7.1415 7.1612 7.2908 7.4076 7.4182 7.6276 7.7014 11.8519 11.8618 12.7795 12.8226 15.1736 15.1762 15.6949 15.7442 k = 0.5000-0.0777 0.5574 ( 2192 PWs) bands (ev): -1.0370 -0.9568 0.1158 0.1586 0.2340 0.5727 0.6823 0.8164 0.8192 0.8851 1.7929 1.9233 3.8605 3.9766 5.2983 5.4131 6.0944 6.1549 6.8989 6.9313 7.1241 7.1374 7.1575 7.2903 7.4061 7.4161 7.6299 7.7030 12.0373 12.0468 12.9303 12.9747 14.9539 14.9559 15.4894 15.5379 k = 0.5000-0.0666 0.5653 ( 2196 PWs) bands (ev): -1.0380 -0.9557 0.1211 0.1608 0.2234 0.5757 0.6808 0.8171 0.8224 0.8824 1.7979 1.9308 3.8795 4.0037 5.2420 5.3633 6.0781 6.1404 6.8971 6.9302 7.1234 7.1339 7.1544 7.2899 7.4048 7.4143 7.6319 7.7043 12.2264 12.2355 13.0856 13.1315 14.7353 14.7369 15.2864 15.3341 k = 0.5000-0.0555 0.5731 ( 2204 PWs) bands (ev): -1.0388 -0.9547 0.1266 0.1628 0.2132 0.5781 0.6794 0.8153 0.8279 0.8794 1.8022 1.9373 3.8970 4.0292 5.1914 5.3193 6.0638 6.1277 6.8955 6.9294 7.1228 7.1310 7.1517 7.2895 7.4036 7.4127 7.6335 7.7054 12.4188 12.4277 13.2449 13.2925 14.5183 14.5198 15.0863 15.1331 k = 0.5000-0.0444 0.5810 ( 2200 PWs) bands (ev): -1.0394 -0.9539 0.1326 0.1644 0.2037 0.5804 0.6781 0.8140 0.8334 0.8763 1.8060 1.9428 3.9125 4.0522 5.1478 5.2820 6.0519 6.1171 6.8943 6.9287 7.1223 7.1288 7.1497 7.2892 7.4027 7.4115 7.6349 7.7063 12.6143 12.6228 13.4071 13.4570 14.3038 14.3057 14.8893 14.9350 k = 0.5000-0.0333 0.5888 ( 2200 PWs) bands (ev): -1.0399 -0.9533 0.1386 0.1657 0.1947 0.5824 0.6770 0.8130 0.8384 0.8732 1.8090 1.9471 3.9252 4.0717 5.1121 5.2520 6.0425 6.1086 6.8934 6.9282 7.1219 7.1271 7.1481 7.2890 7.4019 7.4106 7.6359 7.7069 12.8122 12.8205 13.5688 13.6225 14.0944 14.0983 14.6957 14.7400 k = 0.5000-0.0222 0.5967 ( 2200 PWs) bands (ev): -1.0403 -0.9528 0.1446 0.1666 0.1868 0.5839 0.6761 0.8122 0.8427 0.8702 1.8112 1.9502 3.9348 4.0865 5.0855 5.2301 6.0357 6.1025 6.8927 6.9278 7.1217 7.1258 7.1470 7.2889 7.4014 7.4099 7.6366 7.7074 13.0115 13.0196 13.7030 13.7615 13.9185 13.9247 14.5061 14.5484 k = 0.5000-0.0111 0.6045 ( 2208 PWs) bands (ev): -1.0406 -0.9526 0.1494 0.1671 0.1805 0.5847 0.6755 0.8116 0.8457 0.8679 1.8124 1.9520 3.9408 4.0959 5.0691 5.2167 6.0316 6.0988 6.8922 6.9276 7.1214 7.1251 7.1463 7.2888 7.4010 7.4095 7.6370 7.7076 13.2085 13.2164 13.6304 13.6515 13.9660 14.0015 14.3226 14.3609 k = 0.5000 0.0000 0.6124 ( 2208 PWs) bands (ev): -1.0406 -0.9526 0.1516 0.1673 0.1779 0.5850 0.6753 0.8115 0.8470 0.8669 1.8128 1.9526 3.9428 4.0991 5.0636 5.2122 6.0302 6.0976 6.8921 6.9275 7.1214 7.1249 7.1461 7.2888 7.4008 7.4093 7.6371 7.7077 13.3520 13.3580 13.4963 13.5132 14.0916 14.1580 14.1818 14.1954 k = 0.5000 0.0000 0.6124 ( 2208 PWs) bands (ev): -1.0406 -0.9526 0.1516 0.1673 0.1779 0.5850 0.6753 0.8115 0.8470 0.8669 1.8128 1.9526 3.9428 4.0991 5.0636 5.2122 6.0302 6.0976 6.8921 6.9275 7.1214 7.1249 7.1461 7.2888 7.4008 7.4093 7.6371 7.7077 13.3520 13.3580 13.4963 13.5132 14.0916 14.1580 14.1818 14.1954 k = 0.4931 0.0120 0.6124 ( 2208 PWs) bands (ev): -1.0407 -0.9528 0.1501 0.1672 0.1796 0.5848 0.6754 0.8113 0.8465 0.8674 1.8117 1.9515 3.9423 4.0980 5.0653 5.2132 6.0334 6.1000 6.8922 6.9279 7.1214 7.1253 7.1470 7.2893 7.3971 7.4138 7.6377 7.7085 13.2457 13.2571 13.5847 13.6014 14.0200 14.0629 14.2752 14.3109 k = 0.4861 0.0241 0.6124 ( 2201 PWs) bands (ev): -1.0410 -0.9533 0.1463 0.1676 0.1834 0.5842 0.6759 0.8106 0.8454 0.8689 1.8088 1.9487 3.9405 4.0946 5.0699 5.2155 6.0431 6.1076 6.8923 6.9290 7.1217 7.1271 7.1497 7.2911 7.3912 7.4219 7.6396 7.7111 13.0667 13.0852 13.7092 13.7341 13.9560 13.9882 14.4067 14.4471 k = 0.4792 0.0361 0.6124 ( 2201 PWs) bands (ev): -1.0414 -0.9542 0.1411 0.1683 0.1883 0.5832 0.6766 0.8092 0.8441 0.8709 1.8042 1.9443 3.9375 4.0892 5.0760 5.2180 6.0595 6.1203 6.8923 6.9308 7.1220 7.1301 7.1538 7.2941 7.3853 7.4316 7.6428 7.7155 12.8693 12.8930 13.7788 13.8253 13.9688 13.9854 14.5447 14.5874 k = 0.4722 0.0481 0.6124 ( 2203 PWs) bands (ev): -1.0420 -0.9554 0.1355 0.1691 0.1936 0.5818 0.6774 0.8071 0.8430 0.8732 1.7984 1.9387 3.9332 4.0820 5.0826 5.2198 6.0822 6.1379 6.8922 6.9331 7.1226 7.1343 7.1592 7.2985 7.3801 7.4428 7.6478 7.7222 12.6647 12.6918 13.7643 13.8133 14.0878 14.0966 14.6869 14.7312 k = 0.4653 0.0601 0.6124 ( 2209 PWs) bands (ev): -1.0427 -0.9568 0.1298 0.1698 0.1992 0.5801 0.6784 0.8042 0.8421 0.8756 1.7918 1.9323 3.9279 4.0735 5.0889 5.2203 6.1105 6.1598 6.8920 6.9359 7.1233 7.1394 7.1660 7.3039 7.3759 7.4552 7.6550 7.7316 12.4584 12.4876 13.7305 13.7771 14.2375 14.2436 14.8327 14.8782 k = 0.4583 0.0722 0.6124 ( 2205 PWs) bands (ev): -1.0434 -0.9584 0.1243 0.1706 0.2049 0.5783 0.6797 0.8009 0.8417 0.8781 1.7846 1.9255 3.9218 4.0639 5.0941 5.2193 6.1429 6.1853 6.8918 6.9391 7.1240 7.1451 7.1741 7.3100 7.3737 7.4689 7.6654 7.7441 12.2537 12.2843 13.6969 13.7418 14.3940 14.3996 14.9816 15.0282 k = 0.4514 0.0842 0.6124 ( 2199 PWs) bands (ev): -1.0442 -0.9600 0.1191 0.1713 0.2107 0.5765 0.6810 0.7973 0.8416 0.8806 1.7772 1.9184 3.9152 4.0538 5.0981 5.2168 6.1778 6.2135 6.8916 6.9424 7.1247 7.1510 7.1833 7.3155 7.3746 7.4833 7.6798 7.7604 12.0530 12.0845 13.6662 13.7099 14.5533 14.5593 15.1336 15.1812 k = 0.4444 0.0962 0.6124 ( 2205 PWs) bands (ev): -1.0450 -0.9618 0.1141 0.1719 0.2162 0.5744 0.6822 0.7933 0.8417 0.8829 1.7696 1.9111 3.9082 4.0436 5.1006 5.2129 6.2131 6.2434 6.8914 6.9456 7.1253 7.1565 7.1933 7.3189 7.3796 7.4976 7.6995 7.7808 11.8583 11.8902 13.6388 13.6816 14.7139 14.7208 15.2884 15.3370 k = 0.4375 0.1083 0.6124 ( 2203 PWs) bands (ev): -1.0457 -0.9636 0.1094 0.1724 0.2216 0.5724 0.6836 0.7893 0.8420 0.8852 1.7622 1.9041 3.9011 4.0335 5.1017 5.2081 6.2468 6.2745 6.8911 6.9487 7.1257 7.1615 7.2036 7.3196 7.3888 7.5111 7.7257 7.8062 11.6711 11.7033 13.6145 13.6566 14.8750 14.8830 15.4459 15.4954 k = 0.4306 0.1203 0.6124 ( 2200 PWs) bands (ev): -1.0464 -0.9653 0.1053 0.1729 0.2267 0.5704 0.6849 0.7854 0.8423 0.8874 1.7552 1.8974 3.8942 4.0238 5.1018 5.2027 6.2773 6.3058 6.8909 6.9515 7.1261 7.1658 7.2141 7.3181 7.4008 7.5229 7.7588 7.8366 11.4934 11.5256 13.5931 13.6346 15.0354 15.0448 15.6059 15.6564 k = 0.4236 0.1323 0.6124 ( 2198 PWs) bands (ev): -1.0471 -0.9669 0.1015 0.1734 0.2314 0.5685 0.6861 0.7817 0.8427 0.8893 1.7486 1.8912 3.8877 4.0148 5.1009 5.1970 6.3039 6.3360 6.8908 6.9541 7.1263 7.1693 7.2242 7.3152 7.4136 7.5326 7.7983 7.8718 11.3270 11.3590 13.5745 13.6155 15.1941 15.2050 15.7683 15.8197 k = 0.4167 0.1443 0.6124 ( 2202 PWs) bands (ev): -1.0478 -0.9684 0.0981 0.1737 0.2357 0.5667 0.6871 0.7782 0.8431 0.8911 1.7426 1.8856 3.8818 4.0066 5.0995 5.1915 6.3266 6.3637 6.8906 6.9563 7.1264 7.1720 7.2337 7.3116 7.4259 7.5402 7.8425 7.9107 11.1739 11.2058 13.5585 13.5992 15.3493 15.3619 15.9328 15.9853 k = 0.4097 0.1564 0.6124 ( 2200 PWs) bands (ev): -1.0483 -0.9698 0.0952 0.1741 0.2395 0.5651 0.6881 0.7751 0.8435 0.8926 1.7374 1.8807 3.8765 3.9995 5.0978 5.1863 6.3456 6.3878 6.8905 6.9583 7.1265 7.1740 7.2426 7.3077 7.4368 7.5461 7.8889 7.9516 11.0368 11.0684 13.5452 13.5855 15.4987 15.5132 16.0992 16.1528 k = 0.4028 0.1684 0.6124 ( 2204 PWs) bands (ev): -1.0487 -0.9709 0.0929 0.1743 0.2426 0.5636 0.6888 0.7724 0.8438 0.8938 1.7331 1.8766 3.8720 3.9935 5.0961 5.1817 6.3609 6.4077 6.8904 6.9598 7.1265 7.1755 7.2505 7.3037 7.4459 7.5504 7.9340 7.9918 10.9184 10.9498 13.5343 13.5744 15.6388 15.6553 16.2672 16.3220 k = 0.3958 0.1804 0.6124 ( 2207 PWs) bands (ev): -1.0491 -0.9719 0.0909 0.1744 0.2451 0.5624 0.6894 0.7702 0.8441 0.8947 1.7295 1.8733 3.8685 3.9887 5.0945 5.1779 6.3727 6.4233 6.8903 6.9610 7.1266 7.1765 7.2575 7.2997 7.4528 7.5535 7.9743 8.0282 10.8217 10.8529 13.5259 13.5658 15.7641 15.7826 16.4361 16.4920 k = 0.3889 0.1925 0.6124 ( 2206 PWs) bands (ev): -1.0493 -0.9725 0.0897 0.1745 0.2469 0.5616 0.6899 0.7687 0.8442 0.8955 1.7271 1.8709 3.8659 3.9853 5.0932 5.1752 6.3811 6.4344 6.8903 6.9618 7.1266 7.1773 7.2633 7.2960 7.4578 7.5555 8.0062 8.0574 10.7498 10.7808 13.5199 13.5597 15.8666 15.8869 16.6042 16.6611 k = 0.3819 0.2045 0.6124 ( 2204 PWs) bands (ev): -1.0495 -0.9729 0.0888 0.1747 0.2481 0.5612 0.6902 0.7677 0.8444 0.8960 1.7255 1.8695 3.8643 3.9832 5.0925 5.1734 6.3861 6.4410 6.8902 6.9624 7.1266 7.1777 7.2675 7.2930 7.4607 7.5567 8.0268 8.0765 10.7053 10.7363 13.5163 13.5560 15.9354 15.9572 16.7658 16.8219 k = 0.3750 0.2165 0.6124 ( 2201 PWs) bands (ev): -1.0495 -0.9731 0.0886 0.1747 0.2485 0.5610 0.6903 0.7675 0.8444 0.8961 1.7250 1.8691 3.8638 3.9825 5.0922 5.1729 6.3877 6.4433 6.8903 6.9626 7.1266 7.1778 7.2691 7.2919 7.4617 7.5571 8.0339 8.0831 10.6903 10.7213 13.5151 13.5548 15.9600 15.9823 16.8695 16.9134 k = 0.3750 0.2165 0.6124 ( 2201 PWs) bands (ev): -1.0495 -0.9731 0.0886 0.1747 0.2485 0.5610 0.6903 0.7675 0.8444 0.8961 1.7250 1.8691 3.8638 3.9825 5.0922 5.1729 6.3877 6.4433 6.8903 6.9626 7.1266 7.1778 7.2691 7.2919 7.4617 7.5571 8.0339 8.0831 10.6903 10.7213 13.5151 13.5548 15.9600 15.9823 16.8695 16.9134 k = 0.3681 0.2125 0.6010 ( 2207 PWs) bands (ev): -1.0537 -0.9754 0.0898 0.1790 0.2389 0.5622 0.6910 0.7646 0.8467 0.8954 1.7139 1.8636 3.8902 4.0179 5.0278 5.1173 6.3901 6.4463 6.8906 6.9614 7.1267 7.1749 7.2746 7.3025 7.4642 7.5554 8.0900 8.1370 10.7297 10.7611 13.7503 13.7887 15.8177 15.8394 16.7283 16.7787 k = 0.3611 0.2085 0.5897 ( 2207 PWs) bands (ev): -1.0583 -0.9783 0.0910 0.1827 0.2302 0.5631 0.6918 0.7614 0.8492 0.8946 1.6994 1.8547 3.9176 4.0541 4.9725 5.0711 6.3929 6.4499 6.8914 6.9602 7.1274 7.1718 7.2807 7.3141 7.4671 7.5538 8.1481 8.1930 10.7688 10.8008 13.9905 14.0268 15.6788 15.6991 16.5889 16.6451 k = 0.3542 0.2045 0.5784 ( 2203 PWs) bands (ev): -1.0632 -0.9821 0.0923 0.1852 0.2229 0.5636 0.6927 0.7579 0.8518 0.8938 1.6812 1.8420 3.9461 4.0908 4.9272 5.0348 6.3962 6.4540 6.8927 6.9591 7.1286 7.1685 7.2872 7.3267 7.4704 7.5525 8.2080 8.2509 10.8080 10.8405 14.2345 14.2674 15.5443 15.5617 16.4518 16.5132 k = 0.3472 0.2005 0.5670 ( 2203 PWs) bands (ev): -1.0686 -0.9867 0.0935 0.1856 0.2175 0.5637 0.6935 0.7543 0.8542 0.8929 1.6592 1.8253 3.9757 4.1276 4.8926 5.0086 6.4000 6.4585 6.8943 6.9579 7.1302 7.1651 7.2940 7.3401 7.4743 7.5514 8.2696 8.3105 10.8475 10.8805 14.4808 14.5070 15.4165 15.4280 16.3176 16.3842 k = 0.3403 0.1965 0.5557 ( 2203 PWs) bands (ev): -1.0746 -0.9922 0.0946 0.1834 0.2149 0.5632 0.6944 0.7506 0.8564 0.8919 1.6332 1.8046 4.0067 4.1644 4.8694 4.9926 6.4041 6.4634 6.8963 6.9566 7.1322 7.1618 7.3010 7.3542 7.4791 7.5506 8.3328 8.3719 10.8873 10.9209 14.7254 14.7360 15.3003 15.3032 16.1874 16.2596 k = 0.3333 0.1925 0.5443 ( 2185 PWs) bands (ev): -1.0810 -0.9985 0.0960 0.1789 0.2148 0.5624 0.6955 0.7472 0.8585 0.8911 1.6034 1.7798 4.0394 4.2010 4.8580 4.9868 6.4089 6.4689 6.8987 6.9554 7.1349 7.1587 7.3082 7.3690 7.4849 7.5503 8.3977 8.4350 10.9275 10.9618 14.9108 14.9491 15.1950 15.2449 16.0632 16.1427 k = 0.3264 0.1884 0.5330 ( 2193 PWs) bands (ev): -1.0881 -1.0059 0.0970 0.1728 0.2158 0.5607 0.6964 0.7436 0.8601 0.8898 1.5697 1.7510 4.0741 4.2373 4.8583 4.9907 6.4139 6.4747 6.9013 6.9538 7.1377 7.1556 7.3154 7.3842 7.4916 7.5503 8.4639 8.4995 10.9683 11.0032 14.9198 14.9909 15.2655 15.3439 15.9505 16.0421 k = 0.3194 0.1844 0.5217 ( 2197 PWs) bands (ev): -1.0959 -1.0144 0.0980 0.1661 0.2173 0.5585 0.6972 0.7401 0.8614 0.8886 1.5325 1.7184 4.1111 4.2737 4.8701 5.0038 6.4194 6.4810 6.9042 6.9522 7.1409 7.1527 7.3229 7.4000 7.4994 7.5510 8.5315 8.5655 11.0097 11.0452 14.8288 14.8852 15.4501 15.5036 15.8697 15.9874 k = 0.3125 0.1804 0.5103 ( 2201 PWs) bands (ev): -1.1045 -1.0239 0.0989 0.1593 0.2187 0.5555 0.6981 0.7369 0.8623 0.8872 1.4923 1.6825 4.1509 4.3106 4.8925 5.0255 6.4252 6.4877 6.9073 6.9505 7.1443 7.1501 7.3307 7.4165 7.5085 7.5523 8.6002 8.6327 11.0516 11.0878 14.7184 14.7674 15.5255 15.5665 15.8639 15.9757 k = 0.3056 0.1764 0.4990 ( 2201 PWs) bands (ev): -1.1138 -1.0345 0.0998 0.1526 0.2199 0.5518 0.6989 0.7339 0.8628 0.8858 1.4494 1.6437 4.1938 4.3486 4.9247 5.0550 6.4315 6.4947 6.9107 6.9487 7.1479 7.1480 7.3390 7.4334 7.5190 7.5545 8.6702 8.7011 11.0940 11.1309 14.6045 14.6493 15.4686 15.5169 15.8054 15.8366 k = 0.2986 0.1724 0.4876 ( 2199 PWs) bands (ev): -1.1239 -1.0463 0.1007 0.1461 0.2207 0.5474 0.6997 0.7312 0.8629 0.8843 1.4044 1.6023 4.2400 4.3885 4.9656 5.0917 6.4381 6.5021 6.9143 6.9468 7.1460 7.1516 7.3481 7.4509 7.5308 7.5577 8.7411 8.7706 11.1369 11.1745 14.4909 14.5329 15.3723 15.4275 15.6855 15.6966 k = 0.2917 0.1684 0.4763 ( 2199 PWs) bands (ev): -1.1350 -1.0594 0.1014 0.1397 0.2211 0.5420 0.7005 0.7287 0.8626 0.8827 1.3579 1.5589 4.2898 4.4308 5.0138 5.1346 6.4451 6.5099 6.9181 6.9448 7.1445 7.1551 7.3582 7.4689 7.5439 7.5620 8.8129 8.8411 11.1801 11.2184 14.3788 14.4187 15.2676 15.3277 15.5552 15.5578 k = 0.2847 0.1644 0.4649 ( 2197 PWs) bands (ev): -1.1471 -1.0737 0.1020 0.1336 0.2209 0.5357 0.7012 0.7263 0.8619 0.8811 1.3105 1.5142 4.3431 4.4761 5.0684 5.1832 6.4524 6.5179 6.9220 6.9429 7.1435 7.1583 7.3698 7.4875 7.5583 7.5678 8.8855 8.9123 11.2235 11.2626 14.2689 14.3071 15.1621 15.2259 15.4204 15.4233 k = 0.2778 0.1604 0.4536 ( 2195 PWs) bands (ev): -1.1601 -1.0893 0.1025 0.1278 0.2202 0.5284 0.7018 0.7242 0.8609 0.8793 1.2628 1.4685 4.4001 4.5246 5.1283 5.2366 6.4600 6.5262 6.9261 6.9410 7.1430 7.1611 7.3832 7.5065 7.5741 7.5754 8.9586 8.9842 11.2670 11.3067 14.1615 14.1980 15.0581 15.1251 15.2847 15.2922 k = 0.2708 0.1564 0.4423 ( 2197 PWs) bands (ev): -1.1742 -1.1063 0.1029 0.1221 0.2188 0.5198 0.7023 0.7223 0.8594 0.8773 1.2155 1.4224 4.4607 4.5766 5.1926 5.2942 6.4677 6.5346 6.9302 6.9391 7.1429 7.1633 7.3988 7.5261 7.5849 7.5912 9.0322 9.0565 11.3103 11.3506 14.0567 14.0917 14.9563 15.0266 15.1512 15.1630 k = 0.2639 0.1524 0.4309 ( 2197 PWs) bands (ev): -1.1895 -1.1246 0.1032 0.1167 0.2169 0.5099 0.7027 0.7205 0.8575 0.8753 1.1691 1.3765 4.5248 4.6321 5.2606 5.3554 6.4757 6.5432 6.9344 6.9375 7.1434 7.1649 7.4169 7.5461 7.5967 7.6096 9.1061 9.1293 11.3532 11.3941 13.9545 13.9879 14.8570 14.9308 15.0203 15.0369 k = 0.2569 0.1483 0.4196 ( 2205 PWs) bands (ev): -1.2059 -1.1443 0.1033 0.1114 0.2143 0.4987 0.7028 0.7186 0.8552 0.8730 1.1243 1.3311 4.5922 4.6911 5.3315 5.4194 6.4839 6.5518 6.9360 6.9386 7.1443 7.1659 7.4377 7.5667 7.6112 7.6294 9.1802 9.2022 11.3953 11.4367 13.8550 13.8869 14.7594 14.8366 14.8939 14.9152 k = 0.2500 0.1443 0.4082 ( 2209 PWs) bands (ev): -1.2235 -1.1653 0.1033 0.1064 0.2111 0.4860 0.7029 0.7169 0.8526 0.8706 1.0816 1.2868 4.6628 4.7535 5.4047 5.4858 6.4922 6.5604 6.9348 6.9429 7.1456 7.1661 7.4618 7.5883 7.6286 7.6507 9.2542 9.2752 11.4365 11.4783 13.7584 13.7887 14.6619 14.7365 14.7799 14.8003 k = 0.2431 0.1403 0.3969 ( 2201 PWs) bands (ev): -1.2423 -1.1876 0.1017 0.1032 0.2074 0.4721 0.7028 0.7151 0.8498 0.8682 1.0418 1.2440 4.7362 4.8190 5.4795 5.5539 6.5006 6.5691 6.9340 6.9474 7.1476 7.1659 7.4895 7.6113 7.6490 7.6736 9.3281 9.3480 11.4763 11.5184 13.6645 13.6931 14.5619 14.6213 14.6883 14.6952 k = 0.2361 0.1363 0.3856 ( 2197 PWs) bands (ev): -1.2623 -1.2113 0.0972 0.1030 0.2032 0.4565 0.7025 0.7132 0.8467 0.8656 1.0049 1.2029 4.8123 4.8874 5.5553 5.6230 6.5090 6.5776 6.9337 6.9520 7.1499 7.1652 7.5208 7.6364 7.6722 7.6981 9.4016 9.4205 11.5143 11.5565 13.5734 13.6002 14.4574 14.5005 14.6025 14.6096 k = 0.2292 0.1323 0.3742 ( 2191 PWs) bands (ev): -1.2835 -1.2361 0.0929 0.1027 0.1986 0.4396 0.7019 0.7110 0.8433 0.8629 0.9715 1.1638 4.8907 4.9584 5.6315 5.6926 6.5174 6.5858 6.9340 6.9568 7.1525 7.1641 7.5562 7.6642 7.6982 7.7245 9.4746 9.4925 11.5501 11.5923 13.4851 13.5101 14.3486 14.3800 14.5223 14.5386 k = 0.2222 0.1283 0.3629 ( 2191 PWs) bands (ev): -1.3059 -1.2622 0.0887 0.1022 0.1933 0.4211 0.7010 0.7084 0.8395 0.8600 0.9418 1.1268 4.9712 5.0317 5.7076 5.7619 6.5257 6.5938 6.9349 6.9617 7.1554 7.1625 7.5959 7.6955 7.7269 7.7529 9.5469 9.5638 11.5833 11.6253 13.3996 13.4227 14.2376 14.2612 14.4529 14.4741 k = 0.2153 0.1243 0.3515 ( 2191 PWs) bands (ev): -1.3295 -1.2894 0.0848 0.1015 0.1876 0.4016 0.6997 0.7054 0.8353 0.8570 0.9159 1.0923 5.0533 5.1070 5.7828 5.8303 6.5339 6.6013 6.9365 6.9669 7.1585 7.1608 7.6402 7.7307 7.7587 7.7837 9.6183 9.6343 11.6135 11.6549 13.3170 13.3380 14.1262 14.1446 14.3928 14.4159 k = 0.2083 0.1203 0.3402 ( 2191 PWs) bands (ev): -1.3541 -1.3176 0.0810 0.1008 0.1816 0.3810 0.6981 0.7020 0.8309 0.8539 0.8939 1.0602 5.1368 5.1838 5.8565 5.8973 6.5419 6.6084 6.9390 6.9724 7.1589 7.1616 7.6894 7.7693 7.7948 7.8171 9.6886 9.7036 11.6402 11.6809 13.2371 13.2560 14.0157 14.0303 14.3410 14.3640 k = 0.2014 0.1163 0.3289 ( 2199 PWs) bands (ev): -1.3798 -1.3468 0.0773 0.0999 0.1751 0.3596 0.6960 0.6979 0.8261 0.8505 0.8755 1.0307 5.2213 5.2619 5.9282 5.9621 6.5495 6.6149 6.9423 6.9783 7.1569 7.1647 7.7433 7.8102 7.8371 7.8537 9.7576 9.7718 11.6631 11.7028 13.1600 13.1767 13.9067 13.9185 14.2968 14.3183 k = 0.1944 0.1123 0.3175 ( 2195 PWs) bands (ev): -1.4064 -1.3767 0.0740 0.0989 0.1686 0.3380 0.6933 0.6934 0.8211 0.8471 0.8609 1.0039 5.3063 5.3408 5.9973 6.0242 6.5570 6.6208 6.9467 6.9847 7.1550 7.1679 7.8019 7.8520 7.8878 7.8946 9.8252 9.8385 11.6818 11.7202 13.0857 13.1001 13.7998 13.8093 14.2597 14.2787 k = 0.1875 0.1083 0.3062 ( 2195 PWs) bands (ev): -1.4338 -1.4073 0.0707 0.0977 0.1618 0.3163 0.6882 0.6904 0.8160 0.8436 0.8493 0.9798 5.3915 5.4201 6.0633 6.0831 6.5641 6.6261 6.9521 6.9916 7.1533 7.1710 7.8640 7.8953 7.9412 7.9469 9.8911 9.9036 11.6961 11.7329 13.0142 13.0262 13.6951 13.7028 14.2291 14.2445 k = 0.1806 0.1042 0.2948 ( 2189 PWs) bands (ev): -1.4619 -1.4383 0.0678 0.0966 0.1549 0.2949 0.6827 0.6869 0.8112 0.8401 0.8402 0.9583 5.4764 5.4994 6.1255 6.1385 6.5708 6.6307 6.9586 6.9991 7.1517 7.1740 7.9270 7.9411 7.9968 8.0140 9.9553 9.9670 11.7058 11.7408 12.9454 12.9551 13.5930 13.5991 14.2041 14.2153 k = 0.1736 0.1002 0.2835 ( 2191 PWs) bands (ev): -1.4906 -1.4698 0.0649 0.0952 0.1479 0.2738 0.6768 0.6828 0.8067 0.8330 0.8365 0.9393 5.5607 5.5782 6.1838 6.1899 6.5770 6.6345 6.9661 7.0071 7.1505 7.1769 7.9880 7.9901 8.0646 8.0888 10.0176 10.0284 11.7109 11.7438 12.8794 12.8866 13.4935 13.4982 14.1837 14.1900 k = 0.1667 0.0962 0.2722 ( 2191 PWs) bands (ev): -1.5197 -1.5015 0.0622 0.0937 0.1410 0.2535 0.6706 0.6781 0.8028 0.8271 0.8329 0.9227 5.6437 5.6561 6.2373 6.2378 6.5828 6.6377 6.9747 7.0156 7.1496 7.1797 8.0430 8.0474 8.1449 8.1711 10.0777 10.0877 11.7115 11.7421 12.8162 12.8209 13.3969 13.4003 14.1664 14.1673 k = 0.1597 0.0922 0.2608 ( 2191 PWs) bands (ev): -1.5490 -1.5332 0.0597 0.0921 0.1341 0.2341 0.6644 0.6730 0.7997 0.8221 0.8294 0.9082 5.7250 5.7327 6.2805 6.2873 6.5880 6.6401 6.9842 7.0248 7.1491 7.1823 8.1001 8.1077 8.2353 8.2607 10.1356 10.1448 11.7077 11.7358 12.7557 12.7580 13.3032 13.3054 14.1457 14.1507 k = 0.1528 0.0882 0.2495 ( 2187 PWs) bands (ev): -1.5785 -1.5649 0.0574 0.0905 0.1273 0.2157 0.6582 0.6675 0.7973 0.8178 0.8260 0.8958 5.8042 5.8074 6.3197 6.3323 6.5928 6.6419 6.9947 7.0345 7.1490 7.1848 8.1620 8.1709 8.3340 8.3573 10.1912 10.1996 11.6998 11.7254 12.6977 12.6981 13.2126 13.2137 14.1232 14.1344 k = 0.1458 0.0842 0.2381 ( 2187 PWs) bands (ev): -1.6079 -1.5962 0.0552 0.0888 0.1206 0.1983 0.6521 0.6616 0.7954 0.8140 0.8228 0.8850 5.8800 5.8809 6.3550 6.3727 6.5970 6.6431 7.0059 7.0446 7.1494 7.1872 8.2289 8.2383 8.4397 8.4606 10.2444 10.2520 11.6881 11.7111 12.6403 12.6432 13.1251 13.1251 14.0975 14.1150 k = 0.1389 0.0802 0.2268 ( 2187 PWs) bands (ev): -1.6371 -1.6272 0.0533 0.0869 0.1142 0.1820 0.6461 0.6555 0.7941 0.8106 0.8198 0.8757 5.9499 5.9546 6.3867 6.4089 6.6007 6.6438 7.0178 7.0550 7.1502 7.1895 8.3011 8.3104 8.5519 8.5701 10.2951 10.3019 11.6731 11.6935 12.5856 12.5911 13.0398 13.0410 14.0661 14.0899 k = 0.1319 0.0762 0.2155 ( 2191 PWs) bands (ev): -1.6660 -1.6576 0.0514 0.0850 0.1078 0.1668 0.6403 0.6492 0.7932 0.8074 0.8171 0.8675 6.0169 6.0249 6.4148 6.4408 6.6040 6.6441 7.0302 7.0657 7.1514 7.1915 8.3788 8.3878 8.6698 8.6853 10.3433 10.3493 11.6552 11.6729 12.5336 12.5418 12.9579 12.9603 14.0264 14.0564 k = 0.1250 0.0722 0.2041 ( 2183 PWs) bands (ev): -1.6943 -1.6873 0.0499 0.0831 0.1019 0.1529 0.6348 0.6431 0.7927 0.8048 0.8147 0.8605 6.0807 6.0916 6.4400 6.4689 6.6069 6.6440 7.0431 7.0768 7.1532 7.1937 8.4624 8.4707 8.7928 8.8056 10.3889 10.3941 11.6348 11.6499 12.4845 12.4955 12.8794 12.8830 13.9761 14.0117 k = 0.1181 0.0682 0.1928 ( 2183 PWs) bands (ev): -1.7219 -1.7161 0.0484 0.0811 0.0962 0.1400 0.6295 0.6369 0.7924 0.8024 0.8126 0.8543 6.1409 6.1543 6.4622 6.4934 6.6093 6.6436 7.0562 7.0878 7.1553 7.1956 8.5518 8.5593 8.9203 8.9304 10.4320 10.4363 11.6123 11.6248 12.4381 12.4520 12.8044 12.8094 13.9133 13.9538 k = 0.1111 0.0642 0.1814 ( 2181 PWs) bands (ev): -1.7487 -1.7440 0.0471 0.0790 0.0908 0.1283 0.6244 0.6310 0.7923 0.8003 0.8107 0.8487 6.1975 6.2129 6.4819 6.5144 6.6113 6.6430 7.0693 7.0989 7.1578 7.1974 8.6472 8.6536 9.0517 9.0590 10.4727 10.4760 11.5881 11.5981 12.3946 12.4114 12.7331 12.7396 13.8367 13.8811 k = 0.1042 0.0601 0.1701 ( 2177 PWs) bands (ev): -1.7746 -1.7707 0.0461 0.0769 0.0857 0.1176 0.6197 0.6253 0.7924 0.7985 0.8091 0.8436 6.2503 6.2672 6.4993 6.5324 6.6131 6.6423 7.0824 7.1098 7.1607 7.1992 8.7483 8.7535 9.1862 9.1907 10.5109 10.5133 11.5625 11.5701 12.3539 12.3738 12.6655 12.6736 13.7462 13.7934 k = 0.0972 0.0561 0.1588 ( 2171 PWs) bands (ev): -1.7993 -1.7963 0.0452 0.0748 0.0810 0.1079 0.6152 0.6199 0.7927 0.7970 0.8078 0.8391 6.2992 6.3171 6.5148 6.5477 6.6147 6.6414 7.0954 7.1206 7.1638 7.2008 8.8550 8.8590 9.3231 9.3248 10.5469 10.5483 11.5358 11.5411 12.3161 12.3392 12.6017 12.6116 13.6422 13.6912 k = 0.0903 0.0521 0.1474 ( 2171 PWs) bands (ev): -1.8229 -1.8205 0.0444 0.0727 0.0765 0.0991 0.6109 0.6148 0.7930 0.7958 0.8066 0.8348 6.3443 6.3627 6.5284 6.5605 6.6161 6.6406 7.1079 7.1310 7.1671 7.2023 8.9671 8.9698 9.4602 9.4615 10.5808 10.5811 11.5082 11.5113 12.2811 12.3077 12.5418 12.5537 13.5264 13.5760 k = 0.0833 0.0481 0.1361 ( 2167 PWs) bands (ev): -1.8451 -1.8433 0.0439 0.0706 0.0724 0.0912 0.6070 0.6101 0.7934 0.7948 0.8057 0.8309 6.3855 6.4039 6.5404 6.5710 6.6175 6.6399 7.1201 7.1410 7.1705 7.2036 9.0841 9.0855 9.5960 9.6003 10.6120 10.6129 11.4797 11.4807 12.2490 12.2791 12.4860 12.5002 13.4007 13.4499 k = 0.0764 0.0441 0.1247 ( 2171 PWs) bands (ev): -1.8660 -1.8645 0.0434 0.0685 0.0685 0.0841 0.6033 0.6057 0.7934 0.7943 0.8048 0.8271 6.4229 6.4408 6.5509 6.5796 6.6189 6.6393 7.1317 7.1505 7.1740 7.2048 9.2057 9.2057 9.7310 9.7384 10.6414 10.6434 11.4493 11.4504 12.2196 12.2533 12.4346 12.4511 13.2676 13.3156 k = 0.0694 0.0401 0.1134 ( 2171 PWs) bands (ev): -1.8853 -1.8842 0.0432 0.0649 0.0664 0.0778 0.5999 0.6017 0.7931 0.7946 0.8040 0.8237 6.4565 6.4734 6.5602 6.5863 6.6204 6.6390 7.1427 7.1595 7.1775 7.2058 9.3299 9.3311 9.8638 9.8742 10.6696 10.6729 11.4171 11.4199 12.1928 12.2301 12.3877 12.4068 13.1299 13.1759 k = 0.0625 0.0361 0.1021 ( 2171 PWs) bands (ev): -1.9030 -1.9023 0.0431 0.0617 0.0644 0.0722 0.5968 0.5982 0.7929 0.7951 0.8034 0.8205 6.4864 6.5019 6.5682 6.5915 6.6222 6.6389 7.1529 7.1678 7.1810 7.2066 9.4572 9.4597 9.9927 10.0061 10.6974 10.7020 11.3836 11.3881 12.1685 12.2087 12.3461 12.3676 12.9905 13.0338 k = 0.0556 0.0321 0.0907 ( 2169 PWs) bands (ev): -1.9191 -1.9185 0.0432 0.0589 0.0624 0.0674 0.5940 0.5950 0.7928 0.7956 0.8028 0.8175 6.5128 6.5262 6.5753 6.5954 6.6245 6.6392 7.1623 7.1754 7.1844 7.2073 9.5869 9.5904 10.1156 10.1316 10.7257 10.7314 11.3484 11.3541 12.1459 12.1879 12.3108 12.3338 12.8527 12.8924 k = 0.0486 0.0281 0.0794 ( 2169 PWs) bands (ev): -1.9334 -1.9330 0.0434 0.0564 0.0604 0.0632 0.5915 0.5922 0.7930 0.7961 0.8024 0.8146 6.5355 6.5464 6.5812 6.5981 6.6275 6.6397 7.1709 7.1822 7.1877 7.2077 9.7177 9.7221 10.2302 10.2481 10.7557 10.7622 11.3107 11.3173 12.1245 12.1654 12.2833 12.3059 12.7202 12.7553 k = 0.0417 0.0241 0.0680 ( 2169 PWs) bands (ev): -1.9459 -1.9457 0.0438 0.0542 0.0585 0.0596 0.5894 0.5898 0.7933 0.7966 0.8019 0.8120 6.5547 6.5627 6.5860 6.5999 6.6311 6.6407 7.1786 7.1882 7.1908 7.2079 9.8479 9.8528 10.3338 10.3524 10.7889 10.7955 11.2695 11.2765 12.1028 12.1388 12.2648 12.2844 12.5975 12.6267 k = 0.0347 0.0200 0.0567 ( 2169 PWs) bands (ev): -1.9566 -1.9565 0.0443 0.0524 0.0564 0.0569 0.5875 0.5877 0.7939 0.7972 0.8015 0.8095 6.5703 6.5753 6.5900 6.6009 6.6353 6.6420 7.1852 7.1932 7.1937 7.2079 9.9753 9.9802 10.4242 10.4418 10.8263 10.8321 11.2237 11.2303 12.0794 12.1069 12.2551 12.2695 12.4897 12.5116 k = 0.0278 0.0160 0.0454 ( 2169 PWs) bands (ev): -1.9654 -1.9654 0.0450 0.0510 0.0540 0.0550 0.5860 0.5861 0.7946 0.7977 0.8011 0.8072 6.5823 6.5846 6.5931 6.6014 6.6398 6.6438 7.1908 7.1964 7.1973 7.2076 10.0960 10.1003 10.5011 10.5154 10.8672 10.8711 11.1722 11.1777 12.0525 12.0698 12.2523 12.2611 12.4017 12.4156 k = 0.0208 0.0120 0.0340 ( 2177 PWs) bands (ev): -1.9723 -1.9723 0.0457 0.0498 0.0520 0.0533 0.5846 0.5847 0.7955 0.7981 0.8006 0.8049 6.5909 6.5913 6.5955 6.6015 6.6439 6.6458 7.1953 7.1988 7.2003 7.2070 10.2040 10.2070 10.5668 10.5761 10.9082 10.9099 11.1148 11.1186 12.0221 12.0304 12.2539 12.2580 12.3365 12.3432 k = 0.0139 0.0080 0.0227 ( 2167 PWs) bands (ev): -1.9773 -1.9772 0.0468 0.0492 0.0506 0.0519 0.5839 0.5839 0.7968 0.7987 0.8003 0.8031 6.5959 6.5964 6.5975 6.6014 6.6473 6.6479 7.1988 7.2010 7.2024 7.2062 10.2907 10.2921 10.6251 10.6293 10.9434 10.9436 11.0543 11.0560 11.9920 11.9946 12.2573 12.2586 12.2934 12.2954 k = 0.0069 0.0040 0.0113 ( 2169 PWs) bands (ev): -1.9802 -1.9802 0.0479 0.0489 0.0496 0.0504 0.5833 0.5833 0.7981 0.7991 0.7999 0.8012 6.5987 6.5990 6.5992 6.6008 6.6493 6.6494 7.2015 7.2026 7.2035 7.2050 10.3463 10.3465 10.6747 10.6754 10.9668 10.9671 11.0000 11.0002 11.9693 11.9697 12.2604 12.2605 12.2693 12.2695 k = 0.0000 0.0000 0.0000 ( 2133 PWs) bands (ev): -1.9812 -1.9812 0.0494 0.0494 0.0494 0.0494 0.5834 0.5834 0.8000 0.8000 0.8000 0.8000 6.6003 6.6003 6.6003 6.6003 6.6503 6.6503 7.2037 7.2037 7.2037 7.2037 10.3651 10.3651 10.6970 10.6970 10.9752 10.9752 10.9752 10.9752 11.9608 11.9608 12.2615 12.2615 12.2615 12.2615 k = 0.0000 0.0000 0.0000 ( 2133 PWs) bands (ev): -1.9812 -1.9812 0.0494 0.0494 0.0494 0.0494 0.5834 0.5834 0.8000 0.8000 0.8000 0.8000 6.6003 6.6003 6.6003 6.6003 6.6503 6.6503 7.2037 7.2037 7.2037 7.2037 10.3651 10.3651 10.6970 10.6970 10.9752 10.9752 10.9752 10.9752 11.9608 11.9608 12.2615 12.2615 12.2615 12.2615 k = 0.0114 0.0066 0.0046 ( 2163 PWs) bands (ev): -1.9802 -1.9802 0.0479 0.0493 0.0493 0.0506 0.5834 0.5834 0.7980 0.7997 0.7997 0.8013 6.5990 6.5990 6.5990 6.6009 6.6494 6.6494 7.2015 7.2030 7.2030 7.2051 10.3462 10.3462 10.6750 10.6750 10.9698 10.9704 10.9969 10.9969 11.9697 11.9697 12.2620 12.2620 12.2677 12.2679 k = 0.0227 0.0131 0.0093 ( 2172 PWs) bands (ev): -1.9772 -1.9772 0.0466 0.0499 0.0499 0.0518 0.5838 0.5838 0.7966 0.7995 0.7995 0.8031 6.5959 6.5959 6.5975 6.6015 6.6475 6.6475 7.1990 7.2015 7.2015 7.2062 10.2894 10.2894 10.6288 10.6288 10.9545 10.9556 11.0426 11.0426 11.9961 11.9961 12.2644 12.2644 12.2862 12.2865 k = 0.0341 0.0197 0.0139 ( 2169 PWs) bands (ev): -1.9723 -1.9723 0.0456 0.0511 0.0511 0.0534 0.5848 0.5848 0.7955 0.7994 0.7994 0.8052 6.5905 6.5905 6.5960 6.6019 6.6450 6.6450 7.1962 7.1992 7.1992 7.2070 10.1980 10.1980 10.5805 10.5805 10.9301 10.9317 11.0877 11.0877 12.0391 12.0391 12.2717 12.2717 12.3159 12.3163 k = 0.0455 0.0262 0.0186 ( 2175 PWs) bands (ev): -1.9653 -1.9653 0.0445 0.0527 0.0527 0.0549 0.5860 0.5860 0.7945 0.7992 0.7992 0.8074 6.5819 6.5819 6.5942 6.6021 6.6422 6.6422 7.1930 7.1958 7.1958 7.2073 10.0803 10.0803 10.5353 10.5353 10.8980 10.9001 11.1206 11.1206 12.0961 12.0961 12.2877 12.2877 12.3555 12.3561 k = 0.0568 0.0328 0.0232 ( 2175 PWs) bands (ev): -1.9565 -1.9565 0.0437 0.0548 0.0548 0.0566 0.5875 0.5875 0.7938 0.7991 0.7991 0.8098 6.5697 6.5697 6.5923 6.6021 6.6395 6.6395 7.1895 7.1915 7.1915 7.2073 9.9455 9.9455 10.4915 10.4915 10.8596 10.8622 11.1377 11.1377 12.1626 12.1626 12.3172 12.3172 12.4033 12.4041 k = 0.0682 0.0394 0.0278 ( 2175 PWs) bands (ev): -1.9457 -1.9457 0.0430 0.0573 0.0573 0.0583 0.5895 0.5895 0.7933 0.7990 0.7990 0.8123 6.5534 6.5534 6.5901 6.6018 6.6372 6.6372 7.1856 7.1864 7.1864 7.2069 9.7999 9.7999 10.4475 10.4475 10.8163 10.8194 11.1391 11.1391 12.2312 12.2312 12.3663 12.3663 12.4579 12.4588 k = 0.0795 0.0459 0.0325 ( 2175 PWs) bands (ev): -1.9331 -1.9331 0.0424 0.0600 0.0604 0.0604 0.5918 0.5918 0.7931 0.7989 0.7989 0.8150 6.5329 6.5329 6.5877 6.6012 6.6353 6.6353 7.1805 7.1805 7.1815 7.2061 9.6479 9.6479 10.4025 10.4025 10.7693 10.7730 11.1269 11.1269 12.2949 12.2949 12.4393 12.4393 12.5175 12.5187 k = 0.0909 0.0525 0.0371 ( 2175 PWs) bands (ev): -1.9186 -1.9186 0.0419 0.0618 0.0640 0.0640 0.5945 0.5945 0.7930 0.7989 0.7989 0.8178 6.5079 6.5079 6.5850 6.6004 6.6337 6.6337 7.1737 7.1737 7.1771 7.2051 9.4925 9.4925 10.3565 10.3565 10.7198 10.7240 11.1039 11.1039 12.3541 12.3541 12.5328 12.5328 12.5810 12.5823 k = 0.1023 0.0590 0.0418 ( 2175 PWs) bands (ev): -1.9024 -1.9024 0.0416 0.0636 0.0682 0.0682 0.5975 0.5975 0.7932 0.7990 0.7990 0.8207 6.4782 6.4782 6.5820 6.5992 6.6322 6.6322 7.1663 7.1663 7.1726 7.2037 9.3359 9.3359 10.3099 10.3099 10.6686 10.6734 11.0729 11.0729 12.4126 12.4126 12.6399 12.6399 12.6470 12.6485 k = 0.1136 0.0656 0.0464 ( 2181 PWs) bands (ev): -1.8845 -1.8845 0.0413 0.0654 0.0728 0.0728 0.6008 0.6008 0.7936 0.7990 0.7990 0.8236 6.4433 6.4433 6.5787 6.5975 6.6307 6.6307 7.1582 7.1582 7.1679 7.2021 9.1799 9.1799 10.2628 10.2628 10.6165 10.6218 11.0364 11.0364 12.4727 12.4727 12.7144 12.7161 12.7556 12.7556 k = 0.1250 0.0722 0.0510 ( 2175 PWs) bands (ev): -1.8650 -1.8650 0.0412 0.0672 0.0782 0.0782 0.6045 0.6045 0.7944 0.7994 0.7994 0.8268 6.4033 6.4033 6.5751 6.5956 6.6292 6.6292 7.1496 7.1496 7.1632 7.2004 9.0261 9.0261 10.2157 10.2157 10.5640 10.5699 10.9962 10.9962 12.5343 12.5343 12.7821 12.7841 12.8776 12.8776 k = 0.1364 0.0787 0.0557 ( 2181 PWs) bands (ev): -1.8440 -1.8440 0.0411 0.0689 0.0841 0.0841 0.6085 0.6085 0.7953 0.7998 0.7998 0.8299 6.3576 6.3576 6.5711 6.5930 6.6275 6.6275 7.1405 7.1405 7.1585 7.1985 8.8758 8.8758 10.1689 10.1689 10.5116 10.5181 10.9539 10.9539 12.5970 12.5970 12.8492 12.8515 13.0045 13.0045 k = 0.1477 0.0853 0.0603 ( 2181 PWs) bands (ev): -1.8216 -1.8216 0.0412 0.0707 0.0908 0.0908 0.6129 0.6129 0.7965 0.8005 0.8005 0.8332 6.3057 6.3057 6.5668 6.5901 6.6256 6.6256 7.1310 7.1310 7.1538 7.1964 8.7301 8.7301 10.1227 10.1227 10.4598 10.4669 10.9104 10.9104 12.6599 12.6599 12.9148 12.9174 13.1356 13.1356 k = 0.1591 0.0919 0.0649 ( 2181 PWs) bands (ev): -1.7978 -1.7978 0.0414 0.0724 0.0981 0.0981 0.6175 0.6175 0.7979 0.8016 0.8016 0.8365 6.2472 6.2472 6.5621 6.5867 6.6233 6.6233 7.1212 7.1212 7.1493 7.1943 8.5903 8.5903 10.0773 10.0773 10.4087 10.4164 10.8666 10.8666 12.7221 12.7221 12.9781 12.9809 13.2705 13.2705 k = 0.1705 0.0984 0.0696 ( 2181 PWs) bands (ev): -1.7728 -1.7728 0.0417 0.0740 0.1061 0.1061 0.6225 0.6225 0.7996 0.8030 0.8030 0.8398 6.1818 6.1818 6.5571 6.5828 6.6207 6.6207 7.1112 7.1112 7.1450 7.1922 8.4572 8.4572 10.0329 10.0329 10.3587 10.3669 10.8232 10.8232 12.7826 12.7826 13.0381 13.0412 13.4088 13.4088 k = 0.1818 0.1050 0.0742 ( 2187 PWs) bands (ev): -1.7467 -1.7467 0.0421 0.0756 0.1148 0.1148 0.6276 0.6276 0.8014 0.8048 0.8048 0.8432 6.1091 6.1091 6.5516 6.5783 6.6176 6.6176 7.1012 7.1012 7.1409 7.1900 8.3316 8.3316 9.9896 9.9896 10.3100 10.3187 10.7804 10.7804 12.8406 12.8406 13.0942 13.0976 13.5505 13.5505 k = 0.1932 0.1115 0.0789 ( 2196 PWs) bands (ev): -1.7196 -1.7196 0.0426 0.0770 0.1242 0.1242 0.6328 0.6328 0.8035 0.8072 0.8072 0.8465 6.0288 6.0288 6.5458 6.5733 6.6140 6.6140 7.0911 7.0911 7.1371 7.1879 8.2142 8.2142 9.9476 9.9476 10.2626 10.2718 10.7386 10.7386 12.8953 12.8953 13.1457 13.1492 13.6953 13.6953 k = 0.2045 0.1181 0.0835 ( 2196 PWs) bands (ev): -1.6918 -1.6918 0.0432 0.0784 0.1345 0.1345 0.6383 0.6383 0.8059 0.8105 0.8105 0.8499 5.9412 5.9412 6.5396 6.5677 6.6099 6.6099 7.0812 7.0812 7.1337 7.1859 8.1056 8.1056 9.9070 9.9070 10.2167 10.2264 10.6981 10.6981 12.9461 12.9461 13.1920 13.1957 13.8433 13.8433 k = 0.2159 0.1247 0.0881 ( 2196 PWs) bands (ev): -1.6633 -1.6633 0.0438 0.0797 0.1457 0.1457 0.6438 0.6438 0.8084 0.8148 0.8148 0.8532 5.8464 5.8464 6.5331 6.5616 6.6052 6.6052 7.0715 7.0715 7.1307 7.1840 8.0059 8.0059 9.8679 9.8679 10.1724 10.1826 10.6590 10.6590 12.9923 12.9923 13.2327 13.2365 13.9944 13.9944 k = 0.2273 0.1312 0.0928 ( 2196 PWs) bands (ev): -1.6343 -1.6343 0.0446 0.0808 0.1576 0.1576 0.6492 0.6492 0.8112 0.8201 0.8201 0.8566 5.7445 5.7445 6.5262 6.5549 6.5998 6.5998 7.0621 7.0621 7.1282 7.1823 7.9149 7.9149 9.8302 9.8302 10.1299 10.1404 10.6213 10.6213 13.0336 13.0336 13.2675 13.2713 14.1485 14.1485 k = 0.2386 0.1378 0.0974 ( 2184 PWs) bands (ev): -1.6049 -1.6049 0.0455 0.0820 0.1705 0.1705 0.6545 0.6545 0.8144 0.8270 0.8270 0.8601 5.6363 5.6363 6.5190 6.5477 6.5939 6.5939 7.0533 7.0533 7.1263 7.1808 7.8326 7.8326 9.7942 9.7942 10.0891 10.1000 10.5852 10.5852 13.0696 13.0696 13.2962 13.2999 14.3056 14.3056 k = 0.2500 0.1443 0.1021 ( 2190 PWs) bands (ev): -1.5754 -1.5754 0.0464 0.0829 0.1839 0.1839 0.6594 0.6594 0.8174 0.8352 0.8352 0.8633 5.5225 5.5225 6.5115 6.5400 6.5872 6.5872 7.0447 7.0447 7.1247 7.1793 7.7584 7.7584 9.7597 9.7597 10.0500 10.0612 10.5507 10.5507 13.1002 13.1002 13.3189 13.3226 14.4654 14.4654 k = 0.2614 0.1509 0.1067 ( 2190 PWs) bands (ev): -1.5460 -1.5460 0.0474 0.0837 0.1980 0.1980 0.6640 0.6640 0.8208 0.8453 0.8453 0.8665 5.4038 5.4038 6.5038 6.5319 6.5800 6.5800 7.0367 7.0367 7.1237 7.1781 7.6919 7.6919 9.7269 9.7269 10.0128 10.0242 10.5178 10.5178 13.1253 13.1253 13.3358 13.3393 14.6279 14.6279 k = 0.2727 0.1575 0.1113 ( 2190 PWs) bands (ev): -1.5167 -1.5167 0.0484 0.0845 0.2128 0.2128 0.6681 0.6681 0.8243 0.8574 0.8574 0.8696 5.2813 5.2813 6.4958 6.5234 6.5722 6.5722 7.0291 7.0291 7.1231 7.1770 7.6324 7.6324 9.6956 9.6956 9.9774 9.9890 10.4866 10.4866 13.1452 13.1452 13.3472 13.3505 14.7927 14.7927 k = 0.2841 0.1640 0.1160 ( 2190 PWs) bands (ev): -1.4879 -1.4879 0.0495 0.0850 0.2280 0.2280 0.6718 0.6718 0.8279 0.8718 0.8718 0.8727 5.1557 5.1557 6.4877 6.5146 6.5639 6.5639 7.0221 7.0221 7.1231 7.1762 7.5794 7.5794 9.6660 9.6660 9.9438 9.9556 10.4570 10.4570 13.1602 13.1602 13.3536 13.3567 14.9587 14.9587 k = 0.2955 0.1706 0.1206 ( 2184 PWs) bands (ev): -1.4595 -1.4595 0.0507 0.0855 0.2438 0.2438 0.6749 0.6749 0.8316 0.8755 0.8887 0.8887 5.0281 5.0281 6.4795 6.5056 6.5552 6.5552 7.0156 7.0156 7.1234 7.1754 7.5324 7.5324 9.6381 9.6381 9.9121 9.9239 10.4291 10.4291 13.1705 13.1705 13.3555 13.3583 15.1195 15.1195 k = 0.3068 0.1771 0.1253 ( 2184 PWs) bands (ev): -1.4320 -1.4320 0.0519 0.0859 0.2597 0.2597 0.6775 0.6775 0.8354 0.8783 0.9081 0.9081 4.8993 4.8993 6.4713 6.4964 6.5461 6.5461 7.0096 7.0096 7.1242 7.1748 7.4905 7.4905 9.6117 9.6117 9.8823 9.8940 10.4028 10.4028 13.1768 13.1768 13.3535 13.3561 15.2030 15.2030 k = 0.3182 0.1837 0.1299 ( 2187 PWs) bands (ev): -1.4053 -1.4053 0.0531 0.0860 0.2756 0.2756 0.6795 0.6795 0.8393 0.8809 0.9301 0.9301 4.7700 4.7700 6.4631 6.4870 6.5367 6.5367 7.0039 7.0039 7.1254 7.1744 7.4533 7.4533 9.5869 9.5869 9.8542 9.8659 10.3781 10.3781 13.1794 13.1794 13.3482 13.3505 15.1832 15.1832 k = 0.3295 0.1903 0.1345 ( 2181 PWs) bands (ev): -1.3798 -1.3798 0.0544 0.0862 0.2915 0.2915 0.6811 0.6811 0.8433 0.8834 0.9550 0.9550 4.6413 4.6413 6.4550 6.4778 6.5272 6.5272 6.9988 6.9988 7.1271 7.1741 7.4204 7.4204 9.5637 9.5637 9.8281 9.8395 10.3550 10.3550 13.1789 13.1789 13.3402 13.3423 15.1525 15.1525 k = 0.3409 0.1968 0.1392 ( 2184 PWs) bands (ev): -1.3554 -1.3554 0.0557 0.0861 0.3071 0.3071 0.6822 0.6822 0.8472 0.8856 0.9824 0.9824 4.5139 4.5139 6.4471 6.4685 6.5177 6.5177 6.9940 6.9940 7.1289 7.1739 7.3912 7.3912 9.5421 9.5421 9.8037 9.8149 10.3334 10.3334 13.1759 13.1759 13.3301 13.3319 15.1211 15.1211 k = 0.3523 0.2034 0.1438 ( 2193 PWs) bands (ev): -1.3323 -1.3323 0.0570 0.0858 0.3221 0.3221 0.6829 0.6829 0.8510 0.8876 1.0125 1.0125 4.3885 4.3885 6.4393 6.4594 6.5082 6.5082 6.9894 6.9894 7.1310 7.1736 7.3656 7.3656 9.5220 9.5220 9.7811 9.7919 10.3135 10.3135 13.1709 13.1709 13.3185 13.3201 15.0907 15.0907 k = 0.3636 0.2099 0.1485 ( 2190 PWs) bands (ev): -1.3107 -1.3107 0.0583 0.0855 0.3367 0.3367 0.6835 0.6835 0.8550 0.8895 1.0451 1.0451 4.2660 4.2660 6.4319 6.4505 6.4990 6.4990 6.9852 6.9852 7.1334 7.1735 7.3432 7.3432 9.5036 9.5036 9.7604 9.7708 10.2951 10.2951 13.1643 13.1643 13.3059 13.3073 15.0619 15.0619 k = 0.3750 0.2165 0.1531 ( 2196 PWs) bands (ev): -1.2906 -1.2906 0.0597 0.0851 0.3503 0.3503 0.6837 0.6837 0.8588 0.8910 1.0797 1.0797 4.1471 4.1471 6.4249 6.4420 6.4900 6.4900 6.9812 6.9812 7.1359 7.1732 7.3235 7.3235 9.4866 9.4866 9.7414 9.7513 10.2783 10.2783 13.1567 13.1567 13.2927 13.2939 15.0349 15.0349 k = 0.3864 0.2231 0.1577 ( 2196 PWs) bands (ev): -1.2722 -1.2722 0.0611 0.0846 0.3631 0.3631 0.6839 0.6839 0.8626 0.8924 1.1162 1.1162 4.0326 4.0326 6.4183 6.4339 6.4815 6.4815 6.9775 6.9775 7.1386 7.1730 7.3064 7.3064 9.4712 9.4712 9.7243 9.7335 10.2630 10.2630 13.1484 13.1484 13.2794 13.2804 15.0098 15.0098 k = 0.3977 0.2296 0.1624 ( 2195 PWs) bands (ev): -1.2553 -1.2553 0.0625 0.0840 0.3749 0.3749 0.6838 0.6838 0.8662 0.8935 1.1541 1.1541 3.9236 3.9236 6.4122 6.4263 6.4735 6.4735 6.9740 6.9740 7.1413 7.1728 7.2918 7.2918 9.4572 9.4572 9.7088 9.7174 10.2492 10.2492 13.1399 13.1399 13.2664 13.2672 14.9869 14.9869 k = 0.4091 0.2362 0.1670 ( 2195 PWs) bands (ev): -1.2402 -1.2402 0.0639 0.0833 0.3855 0.3855 0.6837 0.6837 0.8697 0.8943 1.1926 1.1926 3.8208 3.8208 6.4066 6.4192 6.4661 6.4661 6.9708 6.9708 7.1441 7.1724 7.2793 7.2793 9.4448 9.4448 9.6951 9.7029 10.2368 10.2368 13.1314 13.1314 13.2539 13.2546 14.9663 14.9663 k = 0.4205 0.2427 0.1716 ( 2195 PWs) bands (ev): -1.2268 -1.2268 0.0653 0.0825 0.3950 0.3950 0.6834 0.6834 0.8731 0.8949 1.2308 1.2308 3.7255 3.7255 6.4017 6.4127 6.4593 6.4593 6.9679 6.9679 7.1469 7.1719 7.2687 7.2687 9.4338 9.4338 9.6831 9.6901 10.2260 10.2260 13.1233 13.1233 13.2422 13.2428 14.9479 14.9479 k = 0.4318 0.2493 0.1763 ( 2195 PWs) bands (ev): -1.2152 -1.2152 0.0667 0.0816 0.4033 0.4033 0.6832 0.6832 0.8763 0.8951 1.2678 1.2678 3.6388 3.6388 6.3974 6.4069 6.4533 6.4533 6.9652 6.9652 7.1497 7.1713 7.2599 7.2599 9.4244 9.4244 9.6729 9.6789 10.2166 10.2166 13.1157 13.1157 13.2317 13.2321 14.9318 14.9318 k = 0.4432 0.2559 0.1809 ( 2201 PWs) bands (ev): -1.2053 -1.2053 0.0681 0.0805 0.4102 0.4102 0.6828 0.6828 0.8792 0.8951 1.3023 1.3023 3.5619 3.5619 6.3938 6.4017 6.4481 6.4481 6.9629 6.9629 7.1523 7.1704 7.2527 7.2527 9.4164 9.4164 9.6643 9.6694 10.2087 10.2087 13.1090 13.1090 13.2224 13.2228 14.9182 14.9182 k = 0.4545 0.2624 0.1856 ( 2201 PWs) bands (ev): -1.1973 -1.1973 0.0694 0.0795 0.4160 0.4160 0.6826 0.6826 0.8819 0.8947 1.3332 1.3332 3.4963 3.4963 6.3910 6.3972 6.4438 6.4438 6.9610 6.9610 7.1549 7.1695 7.2470 7.2470 9.4098 9.4098 9.6574 9.6615 10.2023 10.2023 13.1033 13.1033 13.2146 13.2149 14.9070 14.9070 k = 0.4659 0.2690 0.1902 ( 2201 PWs) bands (ev): -1.1910 -1.1910 0.0709 0.0784 0.4204 0.4204 0.6824 0.6824 0.8844 0.8941 1.3591 1.3591 3.4434 3.4434 6.3889 6.3936 6.4404 6.4404 6.9594 6.9594 7.1573 7.1683 7.2427 7.2427 9.4048 9.4048 9.6521 9.6553 10.1972 10.1972 13.0987 13.0987 13.2084 13.2086 14.8983 14.8983 k = 0.4773 0.2756 0.1948 ( 2189 PWs) bands (ev): -1.1865 -1.1865 0.0723 0.0774 0.4238 0.4238 0.6823 0.6823 0.8869 0.8934 1.3787 1.3787 3.4044 3.4044 6.3877 6.3908 6.4380 6.4380 6.9584 6.9584 7.1597 7.1671 7.2398 7.2398 9.4011 9.4011 9.6486 9.6507 10.1937 10.1937 13.0953 13.0953 13.2039 13.2041 14.8920 14.8920 k = 0.4886 0.2821 0.1995 ( 2186 PWs) bands (ev): -1.1838 -1.1838 0.0736 0.0762 0.4258 0.4258 0.6822 0.6822 0.8890 0.8922 1.3911 1.3911 3.3806 3.3806 6.3872 6.3888 6.4365 6.4365 6.9577 6.9577 7.1619 7.1656 7.2380 7.2380 9.3990 9.3990 9.6466 9.6477 10.1915 10.1915 13.0933 13.0933 13.2012 13.2013 14.8883 14.8883 k = 0.5000 0.2887 0.2041 ( 2186 PWs) bands (ev): -1.1829 -1.1829 0.0749 0.0749 0.4264 0.4264 0.6822 0.6822 0.8907 0.8907 1.3953 1.3953 3.3725 3.3725 6.3876 6.3876 6.4360 6.4360 6.9575 6.9575 7.1638 7.1638 7.2375 7.2375 9.3982 9.3982 9.6463 9.6463 10.1908 10.1908 13.0926 13.0926 13.2004 13.2004 14.8870 14.8870 k = 0.5000 0.2887 0.2041 ( 2186 PWs) bands (ev): -1.1829 -1.1829 0.0749 0.0749 0.4264 0.4264 0.6822 0.6822 0.8907 0.8907 1.3953 1.3953 3.3725 3.3725 6.3876 6.3876 6.4360 6.4360 6.9575 6.9575 7.1638 7.1638 7.2375 7.2375 9.3982 9.3982 9.6463 9.6463 10.1908 10.1908 13.0926 13.0926 13.2004 13.2004 14.8870 14.8870 k = 0.5040 0.2770 0.2107 ( 2186 PWs) bands (ev): -1.1847 -1.1803 0.0750 0.0750 0.4166 0.4361 0.6817 0.6829 0.8906 0.8906 1.3892 1.4024 3.3728 3.3749 6.3865 6.3867 6.4347 6.4347 6.9550 6.9600 7.1638 7.1638 7.2348 7.2401 9.3833 9.3846 9.6250 9.6252 10.2222 10.2230 13.0860 13.0971 13.1988 13.1996 14.8984 14.9102 k = 0.5081 0.2654 0.2173 ( 2186 PWs) bands (ev): -1.1858 -1.1770 0.0754 0.0754 0.4068 0.4457 0.6814 0.6839 0.8903 0.8903 1.3843 1.4105 3.3758 3.3800 6.3827 6.3837 6.4308 6.4315 6.9525 6.9624 7.1639 7.1639 7.2321 7.2428 9.3376 9.3407 9.5774 9.5787 10.3028 10.3040 13.0712 13.0951 13.2005 13.2045 14.9436 14.9662 k = 0.5121 0.2538 0.2239 ( 2192 PWs) bands (ev): -1.1861 -1.1729 0.0758 0.0760 0.3969 0.4549 0.6813 0.6849 0.8896 0.8898 1.3806 1.4196 3.3815 3.3877 6.3746 6.3779 6.4249 6.4278 6.9500 6.9648 7.1639 7.1640 7.2294 7.2455 9.2610 9.2661 9.5270 9.5299 10.4091 10.4105 13.0417 13.0755 13.2192 13.2255 15.0196 15.0515 k = 0.5161 0.2421 0.2305 ( 2190 PWs) bands (ev): -1.1856 -1.1681 0.0766 0.0770 0.3871 0.4641 0.6817 0.6860 0.8888 0.8892 1.3780 1.4297 3.3897 3.3982 6.3609 6.3678 6.4185 6.4250 6.9476 6.9672 7.1640 7.1642 7.2267 7.2482 9.1619 9.1688 9.4806 9.4850 10.5265 10.5281 13.0004 13.0399 13.2582 13.2641 15.1221 15.1616 k = 0.5202 0.2305 0.2370 ( 2190 PWs) bands (ev): -1.1843 -1.1625 0.0774 0.0783 0.3773 0.4729 0.6824 0.6872 0.8877 0.8885 1.3768 1.4407 3.4006 3.4113 6.3410 6.3516 6.4132 6.4235 6.9452 6.9695 7.1641 7.1645 7.2240 7.2510 9.0507 9.0593 9.4354 9.4410 10.6469 10.6488 12.9546 12.9971 13.3131 13.3179 15.2468 15.2924 k = 0.5242 0.2188 0.2436 ( 2190 PWs) bands (ev): -1.1824 -1.1563 0.0784 0.0800 0.3677 0.4814 0.6836 0.6885 0.8864 0.8878 1.3768 1.4525 3.4139 3.4271 6.3149 6.3288 6.4094 6.4233 6.9428 6.9716 7.1643 7.1649 7.2213 7.2538 8.9346 8.9447 9.3884 9.3953 10.7650 10.7675 12.9108 12.9549 13.3811 13.3847 15.3899 15.4403 k = 0.5282 0.2072 0.2502 ( 2195 PWs) bands (ev): -1.1798 -1.1495 0.0794 0.0819 0.3581 0.4895 0.6851 0.6897 0.8848 0.8870 1.3782 1.4651 3.4297 3.4454 6.2828 6.2994 6.4068 6.4237 6.9405 6.9736 7.1644 7.1654 7.2186 7.2567 8.8176 8.8295 9.3385 9.3466 10.8766 10.8802 12.8748 12.9191 13.4605 13.4630 15.5482 15.6025 k = 0.5323 0.1956 0.2568 ( 2194 PWs) bands (ev): -1.1766 -1.1421 0.0806 0.0843 0.3487 0.4971 0.6871 0.6909 0.8831 0.8862 1.3810 1.4786 3.4480 3.4663 6.2449 6.2639 6.4051 6.4248 6.9382 6.9755 7.1646 7.1661 7.2160 7.2596 8.7024 8.7160 9.2855 9.2947 10.9779 10.9831 12.8516 12.8950 13.5502 13.5518 15.7192 15.7767 k = 0.5363 0.1839 0.2634 ( 2188 PWs) bands (ev): -1.1727 -1.1342 0.0819 0.0871 0.3396 0.5044 0.6897 0.6921 0.8812 0.8856 1.3852 1.4928 3.4685 3.4897 6.2013 6.2223 6.4040 6.4263 6.9360 6.9772 7.1648 7.1668 7.2135 7.2626 8.5904 8.6059 9.2294 9.2399 11.0651 11.0725 12.8459 12.8874 13.6493 13.6501 15.9009 15.9610 k = 0.5403 0.1723 0.2700 ( 2192 PWs) bands (ev): -1.1683 -1.1259 0.0831 0.0902 0.3305 0.5110 0.6926 0.6931 0.8791 0.8848 1.3909 1.5078 3.4912 3.5155 6.1518 6.1748 6.4031 6.4280 6.9337 6.9785 7.1649 7.1674 7.2112 7.2657 8.4827 8.5003 9.1708 9.1825 11.1350 11.1452 12.8615 12.9003 13.7569 13.7570 16.0916 16.1539 k = 0.5444 0.1606 0.2766 ( 2194 PWs) bands (ev): -1.1633 -1.1171 0.0842 0.0937 0.3216 0.5171 0.6940 0.6959 0.8769 0.8842 1.3980 1.5236 3.5161 3.5437 6.0968 6.1215 6.4025 6.4298 6.9315 6.9796 7.1650 7.1680 7.2093 7.2689 8.3802 8.4000 9.1101 9.1232 11.1856 11.1990 12.9012 12.9365 13.8719 13.8723 16.2894 16.3536 k = 0.5484 0.1490 0.2831 ( 2196 PWs) bands (ev): -1.1580 -1.1080 0.0854 0.0976 0.3130 0.5227 0.6949 0.6997 0.8746 0.8838 1.4066 1.5400 3.5428 3.5740 6.0363 6.0628 6.4020 6.4317 6.9292 6.9805 7.1652 7.1683 7.2079 7.2722 8.2834 8.3055 9.0479 9.0624 11.2165 11.2334 12.9654 12.9969 13.9940 13.9949 16.4870 16.5503 k = 0.5524 0.1374 0.2897 ( 2198 PWs) bands (ev): -1.1522 -1.0987 0.0865 0.1019 0.3046 0.5279 0.6955 0.7037 0.8723 0.8835 1.4167 1.5571 3.5714 3.6065 5.9706 5.9990 6.4015 6.4336 6.9269 6.9811 7.1653 7.1681 7.2072 7.2756 8.1926 8.2173 8.9846 9.0005 11.2291 11.2494 13.0531 13.0808 14.1228 14.1241 16.4589 16.4887 k = 0.5565 0.1257 0.2963 ( 2197 PWs) bands (ev): -1.1461 -1.0891 0.0876 0.1066 0.2965 0.5325 0.6961 0.7081 0.8700 0.8834 1.4284 1.5749 3.6015 3.6408 5.9000 5.9305 6.4012 6.4356 6.9246 6.9813 7.1655 7.1674 7.2074 7.2791 8.1081 8.1354 8.9208 8.9383 11.2262 11.2495 13.1615 13.1859 14.2578 14.2593 16.2851 16.3166 k = 0.5605 0.1141 0.3029 ( 2203 PWs) bands (ev): -1.1397 -1.0795 0.0886 0.1116 0.2886 0.5367 0.6964 0.7126 0.8676 0.8834 1.4415 1.5933 3.6329 3.6768 5.8252 5.8580 6.4009 6.4376 6.9222 6.9812 7.1656 7.1659 7.2087 7.2827 8.0298 8.0599 8.8567 8.8759 11.2111 11.2368 13.2874 13.3089 14.3983 14.4000 16.1080 16.1415 k = 0.5645 0.1024 0.3095 ( 2210 PWs) bands (ev): -1.1331 -1.0699 0.0894 0.1171 0.2810 0.5404 0.6966 0.7173 0.8654 0.8835 1.4560 1.6123 3.6653 3.7143 5.7470 5.7824 6.4006 6.4395 6.9198 6.9808 7.1637 7.1657 7.2109 7.2862 7.9578 7.9908 8.7929 8.8138 11.1868 11.2146 13.4276 13.4470 14.5441 14.5456 15.9312 15.9664 k = 0.5685 0.0908 0.3161 ( 2210 PWs) bands (ev): -1.1263 -1.0603 0.0902 0.1229 0.2737 0.5438 0.6967 0.7220 0.8633 0.8839 1.4719 1.6319 3.6984 3.7529 5.6660 5.7045 6.4002 6.4413 6.9174 6.9802 7.1611 7.1658 7.2142 7.2899 7.8918 7.9278 8.7297 8.7523 11.1562 11.1856 13.5793 13.5971 14.6945 14.6955 15.7560 15.7925 k = 0.5726 0.0792 0.3226 ( 2205 PWs) bands (ev): -1.1194 -1.0509 0.0909 0.1291 0.2668 0.5469 0.6967 0.7268 0.8613 0.8845 1.4893 1.6520 3.7316 3.7923 5.5835 5.6256 6.3999 6.4430 6.9150 6.9792 7.1580 7.1660 7.2183 7.2936 7.8317 7.8708 8.6675 8.6919 11.1215 11.1520 13.7399 13.7569 14.8485 14.8489 15.5839 15.6207 k = 0.5766 0.0675 0.3292 ( 2207 PWs) bands (ev): -1.1125 -1.0417 0.0914 0.1354 0.2602 0.5496 0.6965 0.7313 0.8595 0.8851 1.5078 1.6725 3.7645 3.8318 5.5005 5.5468 6.3995 6.4446 6.9125 6.9780 7.1546 7.1662 7.2230 7.2972 7.7770 7.8193 8.6063 8.6327 11.0842 11.1155 13.9074 13.9243 15.0004 15.0056 15.4193 15.4533 k = 0.5806 0.0559 0.3358 ( 2204 PWs) bands (ev): -1.1056 -1.0328 0.0918 0.1420 0.2540 0.5521 0.6962 0.7357 0.8578 0.8860 1.5274 1.6933 3.7963 3.8709 5.4185 5.4697 6.3990 6.4459 6.9100 6.9766 7.1510 7.1665 7.2283 7.3007 7.7274 7.7732 8.5467 8.5750 11.0458 11.0777 14.0795 14.0975 15.1162 15.1502 15.2974 15.3052 k = 0.5847 0.0442 0.3424 ( 2206 PWs) bands (ev): -1.0989 -1.0243 0.0921 0.1486 0.2482 0.5542 0.6958 0.7399 0.8562 0.8869 1.5479 1.7143 3.8262 3.9088 5.3389 5.3957 6.3984 6.4470 6.9075 6.9749 7.1474 7.1669 7.2339 7.3038 7.6826 7.7320 8.4886 8.5190 11.0070 11.0393 14.2533 14.2745 15.0380 15.1009 15.3599 15.3770 k = 0.5887 0.0326 0.3490 ( 2207 PWs) bands (ev): -1.0923 -1.0162 0.0922 0.1552 0.2430 0.5561 0.6953 0.7438 0.8548 0.8880 1.5691 1.7352 3.8534 3.9444 5.2637 5.3267 6.3977 6.4479 6.9050 6.9732 7.1439 7.1674 7.2399 7.3066 7.6423 7.6956 8.4324 8.4648 10.9687 11.0011 14.4222 14.4507 14.8907 14.9576 15.5231 15.5365 k = 0.5927 0.0210 0.3556 ( 2207 PWs) bands (ev): -1.0859 -1.0086 0.0922 0.1616 0.2384 0.5577 0.6948 0.7475 0.8535 0.8890 1.5907 1.7560 3.8767 3.9764 5.1949 5.2646 6.3969 6.4485 6.9025 6.9713 7.1405 7.1679 7.2459 7.3089 7.6063 7.6638 8.3783 8.4128 10.9313 10.9638 14.5540 14.5936 14.7741 14.8506 15.6955 15.7075 k = 0.5968 0.0093 0.3622 ( 2207 PWs) bands (ev): -1.0799 -1.0016 0.0920 0.1676 0.2346 0.5591 0.6942 0.7509 0.8523 0.8901 1.6124 1.7762 3.8951 4.0034 5.1348 5.2112 6.3960 6.4488 6.9002 6.9694 7.1373 7.1687 7.2519 7.3105 7.5743 7.6363 8.3263 8.3629 10.8952 10.9276 14.5300 14.5346 14.8666 14.8975 15.8720 15.8836 k = 0.6008-0.0023 0.3687 ( 2208 PWs) bands (ev): -1.0741 -0.9953 0.0918 0.1727 0.2320 0.5602 0.6936 0.7541 0.8512 0.8912 1.6337 1.7956 3.9075 4.0236 5.0858 5.1682 6.3950 6.4489 6.8979 6.9675 7.1345 7.1695 7.2576 7.3112 7.5461 7.6132 8.2767 8.3153 10.8606 10.8929 14.3845 14.4092 15.0435 15.0530 16.0515 16.0632 k = 0.6048-0.0140 0.3753 ( 2198 PWs) bands (ev): -1.0687 -0.9896 0.0916 0.1767 0.2310 0.5612 0.6931 0.7570 0.8501 0.8924 1.6544 1.8139 3.9134 4.0358 5.0501 5.1374 6.3939 6.4487 6.8959 6.9659 7.1321 7.1706 7.2629 7.3109 7.5219 7.5942 8.2296 8.2702 10.8277 10.8599 14.2336 14.2652 15.2271 15.2278 16.2330 16.2454 k = 0.6089-0.0256 0.3819 ( 2199 PWs) bands (ev): -1.0638 -0.9846 0.0911 0.1790 0.2316 0.5617 0.6924 0.7596 0.8491 0.8933 1.6736 1.8304 3.9126 4.0390 5.0293 5.1194 6.3928 6.4481 6.8941 6.9644 7.1301 7.1719 7.2671 7.3093 7.5015 7.5793 8.1850 8.2275 10.7965 10.8285 14.0838 14.1188 15.4033 15.4087 16.4151 16.4289 k = 0.6129-0.0372 0.3885 ( 2199 PWs) bands (ev): -1.0594 -0.9805 0.0906 0.1797 0.2341 0.5620 0.6918 0.7620 0.8480 0.8943 1.6910 1.8448 3.9056 4.0334 5.0242 5.1148 6.3915 6.4473 6.8926 6.9632 7.1285 7.1732 7.2702 7.3065 7.4851 7.5684 8.1430 8.1875 10.7672 10.7990 13.9366 13.9735 15.5721 15.5829 16.5936 16.6105 k = 0.6169-0.0489 0.3951 ( 2199 PWs) bands (ev): -1.0555 -0.9771 0.0900 0.1790 0.2380 0.5620 0.6913 0.7641 0.8469 0.8950 1.7058 1.8564 3.8939 4.0206 5.0340 5.1229 6.3903 6.4462 6.8914 6.9625 7.1274 7.1747 7.2716 7.3025 7.4730 7.5612 8.1038 8.1500 10.7398 10.7713 13.7926 13.8307 15.7268 15.7429 16.7504 16.7583 k = 0.6210-0.0605 0.4017 ( 2203 PWs) bands (ev): -1.0522 -0.9747 0.0893 0.1771 0.2429 0.5617 0.6907 0.7659 0.8456 0.8956 1.7173 1.8647 3.8792 4.0026 5.0574 5.1427 6.3890 6.4448 6.8906 6.9622 7.1267 7.1762 7.2712 7.2975 7.4652 7.5576 8.0674 8.1152 10.7141 10.7454 13.6520 13.6910 15.8590 15.8794 16.8054 16.8421 k = 0.6250-0.0722 0.4082 ( 2201 PWs) bands (ev): -1.0495 -0.9731 0.0886 0.1747 0.2485 0.5610 0.6903 0.7675 0.8444 0.8961 1.7250 1.8691 3.8638 3.9825 5.0922 5.1729 6.3877 6.4433 6.8903 6.9626 7.1266 7.1778 7.2691 7.2919 7.4617 7.5571 8.0339 8.0831 10.6903 10.7213 13.5151 13.5548 15.9600 15.9823 16.8695 16.9134 k = 0.6250-0.0722 0.4082 ( 2201 PWs) bands (ev): -1.0495 -0.9731 0.0886 0.1747 0.2485 0.5610 0.6903 0.7675 0.8444 0.8961 1.7250 1.8691 3.8638 3.9825 5.0922 5.1729 6.3877 6.4433 6.8903 6.9626 7.1266 7.1778 7.2691 7.2919 7.4617 7.5571 8.0339 8.0831 10.6903 10.7213 13.5151 13.5548 15.9600 15.9823 16.8695 16.9134 k = 0.6181-0.0682 0.4196 ( 2204 PWs) bands (ev): -1.0495 -0.9729 0.0888 0.1747 0.2481 0.5612 0.6902 0.7677 0.8444 0.8960 1.7255 1.8695 3.8643 3.9832 5.0925 5.1734 6.3861 6.4410 6.8902 6.9624 7.1266 7.1777 7.2675 7.2930 7.4607 7.5567 8.0268 8.0765 10.7053 10.7363 13.5163 13.5560 15.9354 15.9572 16.7658 16.8219 k = 0.6111-0.0642 0.4309 ( 2206 PWs) bands (ev): -1.0493 -0.9725 0.0897 0.1745 0.2469 0.5616 0.6899 0.7687 0.8442 0.8955 1.7271 1.8709 3.8659 3.9853 5.0932 5.1752 6.3811 6.4344 6.8903 6.9618 7.1266 7.1773 7.2633 7.2960 7.4578 7.5555 8.0062 8.0574 10.7498 10.7808 13.5199 13.5597 15.8666 15.8869 16.6042 16.6611 k = 0.6042-0.0601 0.4423 ( 2207 PWs) bands (ev): -1.0491 -0.9719 0.0909 0.1744 0.2451 0.5624 0.6894 0.7702 0.8440 0.8947 1.7295 1.8733 3.8685 3.9887 5.0945 5.1779 6.3727 6.4233 6.8903 6.9610 7.1266 7.1765 7.2575 7.2997 7.4528 7.5535 7.9743 8.0282 10.8217 10.8529 13.5259 13.5658 15.7641 15.7826 16.4361 16.4920 k = 0.5972-0.0561 0.4536 ( 2204 PWs) bands (ev): -1.0487 -0.9709 0.0929 0.1743 0.2426 0.5636 0.6888 0.7724 0.8438 0.8938 1.7331 1.8766 3.8720 3.9935 5.0961 5.1817 6.3609 6.4077 6.8904 6.9598 7.1265 7.1755 7.2505 7.3037 7.4459 7.5504 7.9340 7.9918 10.9184 10.9498 13.5343 13.5744 15.6388 15.6553 16.2672 16.3220 k = 0.5903-0.0521 0.4649 ( 2200 PWs) bands (ev): -1.0483 -0.9698 0.0952 0.1741 0.2395 0.5651 0.6881 0.7751 0.8435 0.8926 1.7374 1.8807 3.8765 3.9995 5.0978 5.1863 6.3456 6.3878 6.8905 6.9583 7.1265 7.1740 7.2426 7.3077 7.4368 7.5461 7.8889 7.9516 11.0368 11.0684 13.5452 13.5855 15.4987 15.5132 16.0992 16.1528 k = 0.5833-0.0481 0.4763 ( 2202 PWs) bands (ev): -1.0478 -0.9684 0.0981 0.1737 0.2357 0.5667 0.6871 0.7782 0.8431 0.8911 1.7426 1.8856 3.8818 4.0066 5.0995 5.1915 6.3266 6.3637 6.8906 6.9563 7.1264 7.1720 7.2337 7.3116 7.4259 7.5402 7.8425 7.9107 11.1739 11.2058 13.5585 13.5992 15.3493 15.3619 15.9328 15.9853 k = 0.5764-0.0441 0.4876 ( 2198 PWs) bands (ev): -1.0471 -0.9669 0.1015 0.1734 0.2314 0.5685 0.6861 0.7817 0.8427 0.8893 1.7486 1.8912 3.8877 4.0148 5.1009 5.1970 6.3039 6.3360 6.8908 6.9541 7.1263 7.1693 7.2242 7.3152 7.4136 7.5326 7.7983 7.8718 11.3270 11.3590 13.5745 13.6155 15.1941 15.2050 15.7683 15.8197 k = 0.5694-0.0401 0.4990 ( 2200 PWs) bands (ev): -1.0464 -0.9653 0.1053 0.1729 0.2267 0.5704 0.6849 0.7854 0.8423 0.8874 1.7552 1.8974 3.8942 4.0238 5.1018 5.2027 6.2773 6.3058 6.8909 6.9515 7.1261 7.1658 7.2141 7.3181 7.4008 7.5229 7.7588 7.8366 11.4934 11.5256 13.5931 13.6346 15.0354 15.0448 15.6059 15.6564 k = 0.5625-0.0361 0.5103 ( 2203 PWs) bands (ev): -1.0457 -0.9636 0.1094 0.1724 0.2216 0.5724 0.6836 0.7893 0.8420 0.8852 1.7622 1.9041 3.9011 4.0335 5.1017 5.2081 6.2468 6.2745 6.8911 6.9487 7.1257 7.1615 7.2036 7.3196 7.3888 7.5111 7.7257 7.8062 11.6711 11.7033 13.6145 13.6566 14.8750 14.8830 15.4459 15.4954 k = 0.5556-0.0321 0.5217 ( 2205 PWs) bands (ev): -1.0450 -0.9618 0.1141 0.1719 0.2162 0.5744 0.6822 0.7933 0.8417 0.8829 1.7696 1.9111 3.9082 4.0436 5.1006 5.2129 6.2131 6.2434 6.8914 6.9456 7.1253 7.1565 7.1933 7.3189 7.3796 7.4976 7.6995 7.7808 11.8583 11.8902 13.6388 13.6816 14.7139 14.7209 15.2884 15.3370 k = 0.5486-0.0281 0.5330 ( 2199 PWs) bands (ev): -1.0442 -0.9600 0.1191 0.1713 0.2107 0.5765 0.6810 0.7973 0.8416 0.8806 1.7772 1.9184 3.9152 4.0538 5.0981 5.2168 6.1778 6.2135 6.8916 6.9424 7.1247 7.1510 7.1833 7.3155 7.3746 7.4833 7.6798 7.7604 12.0530 12.0845 13.6662 13.7099 14.5533 14.5593 15.1336 15.1812 k = 0.5417-0.0241 0.5443 ( 2205 PWs) bands (ev): -1.0434 -0.9584 0.1243 0.1706 0.2049 0.5783 0.6797 0.8009 0.8417 0.8781 1.7846 1.9255 3.9218 4.0639 5.0941 5.2193 6.1429 6.1853 6.8918 6.9391 7.1240 7.1451 7.1741 7.3100 7.3737 7.4689 7.6654 7.7441 12.2537 12.2843 13.6969 13.7418 14.3940 14.3996 14.9816 15.0282 k = 0.5347-0.0200 0.5557 ( 2209 PWs) bands (ev): -1.0427 -0.9568 0.1298 0.1698 0.1992 0.5801 0.6784 0.8042 0.8421 0.8756 1.7918 1.9323 3.9279 4.0735 5.0889 5.2203 6.1105 6.1598 6.8920 6.9359 7.1233 7.1394 7.1660 7.3039 7.3759 7.4552 7.6550 7.7316 12.4584 12.4876 13.7305 13.7771 14.2375 14.2436 14.8327 14.8782 k = 0.5278-0.0160 0.5670 ( 2203 PWs) bands (ev): -1.0420 -0.9554 0.1355 0.1691 0.1936 0.5818 0.6774 0.8071 0.8430 0.8732 1.7984 1.9387 3.9332 4.0820 5.0826 5.2198 6.0822 6.1379 6.8922 6.9331 7.1226 7.1343 7.1592 7.2985 7.3801 7.4428 7.6478 7.7222 12.6647 12.6918 13.7643 13.8133 14.0878 14.0966 14.6869 14.7312 k = 0.5208-0.0120 0.5784 ( 2201 PWs) bands (ev): -1.0414 -0.9542 0.1411 0.1683 0.1883 0.5832 0.6766 0.8092 0.8441 0.8709 1.8042 1.9443 3.9375 4.0892 5.0760 5.2180 6.0595 6.1203 6.8923 6.9308 7.1220 7.1301 7.1538 7.2941 7.3853 7.4316 7.6428 7.7155 12.8693 12.8930 13.7788 13.8253 13.9688 13.9854 14.5447 14.5874 k = 0.5139-0.0080 0.5897 ( 2201 PWs) bands (ev): -1.0410 -0.9533 0.1463 0.1676 0.1834 0.5842 0.6759 0.8106 0.8454 0.8689 1.8088 1.9487 3.9405 4.0946 5.0699 5.2155 6.0431 6.1076 6.8923 6.9290 7.1217 7.1271 7.1497 7.2911 7.3912 7.4219 7.6396 7.7111 13.0667 13.0852 13.7092 13.7341 13.9560 13.9882 14.4067 14.4471 k = 0.5069-0.0040 0.6010 ( 2208 PWs) bands (ev): -1.0407 -0.9528 0.1501 0.1672 0.1796 0.5848 0.6754 0.8113 0.8465 0.8674 1.8117 1.9515 3.9423 4.0980 5.0653 5.2132 6.0334 6.1000 6.8922 6.9279 7.1214 7.1253 7.1470 7.2893 7.3971 7.4138 7.6377 7.7085 13.2457 13.2571 13.5847 13.6014 14.0200 14.0629 14.2752 14.3109 k = 0.5000 0.0000 0.6124 ( 2208 PWs) bands (ev): -1.0406 -0.9526 0.1516 0.1673 0.1779 0.5850 0.6753 0.8115 0.8470 0.8669 1.8128 1.9526 3.9428 4.0991 5.0636 5.2122 6.0302 6.0976 6.8921 6.9275 7.1214 7.1249 7.1461 7.2888 7.4008 7.4093 7.6371 7.7077 13.3520 13.3580 13.4963 13.5132 14.0916 14.1580 14.1818 14.1954 k = 0.5000 0.0000 0.6124 ( 2208 PWs) bands (ev): -1.0406 -0.9526 0.1516 0.1673 0.1779 0.5850 0.6753 0.8115 0.8470 0.8669 1.8128 1.9526 3.9428 4.0991 5.0636 5.2122 6.0302 6.0976 6.8921 6.9275 7.1214 7.1249 7.1461 7.2888 7.4008 7.4093 7.6371 7.7077 13.3520 13.3580 13.4963 13.5132 14.0916 14.1580 14.1818 14.1954 k = 0.5000 0.0080 0.6010 ( 2208 PWs) bands (ev): -1.0409 -0.9529 0.1512 0.1668 0.1787 0.5849 0.6753 0.8109 0.8473 0.8669 1.8110 1.9510 3.9439 4.1002 5.0617 5.2100 6.0349 6.1011 6.8921 6.9281 7.1215 7.1253 7.1479 7.2898 7.3949 7.4163 7.6384 7.7093 13.3387 13.3431 13.4827 13.5011 14.1059 14.1695 14.2028 14.2134 k = 0.5000 0.0160 0.5897 ( 2202 PWs) bands (ev): -1.0418 -0.9539 0.1499 0.1657 0.1809 0.5845 0.6756 0.8094 0.8482 0.8672 1.8056 1.9464 3.9471 4.1035 5.0565 5.2037 6.0484 6.1113 6.8921 6.9299 7.1220 7.1268 7.1531 7.2932 7.3872 7.4274 7.6424 7.7143 13.2988 13.3046 13.4467 13.4664 14.1475 14.2059 14.2534 14.2669 k = 0.5000 0.0241 0.5784 ( 2202 PWs) bands (ev): -1.0433 -0.9555 0.1481 0.1642 0.1839 0.5839 0.6760 0.8069 0.8495 0.8674 1.7966 1.9387 3.9519 4.1082 5.0492 5.1948 6.0695 6.1272 6.8922 6.9327 7.1226 7.1294 7.1613 7.2987 7.3807 7.4401 7.6491 7.7226 13.2377 13.2499 13.3965 13.4154 14.2112 14.2635 14.3241 14.3466 k = 0.5000 0.0321 0.5670 ( 2208 PWs) bands (ev): -1.0454 -0.9579 0.1456 0.1623 0.1874 0.5829 0.6765 0.8036 0.8510 0.8676 1.7843 1.9281 3.9574 4.1133 5.0418 5.1853 6.0964 6.1477 6.8924 6.9362 7.1233 7.1330 7.1716 7.3059 7.3768 7.4546 7.6588 7.7342 13.1643 13.1828 13.3383 13.3551 14.2908 14.3370 14.4109 14.4421 k = 0.5000 0.0401 0.5557 ( 2204 PWs) bands (ev): -1.0480 -0.9608 0.1431 0.1601 0.1914 0.5818 0.6772 0.7999 0.8526 0.8680 1.7693 1.9152 3.9626 4.1174 5.0365 5.1772 6.1273 6.1714 6.8928 6.9403 7.1242 7.1374 7.1834 7.3134 7.3778 7.4712 7.6722 7.7496 13.0839 13.1073 13.2762 13.2911 14.3814 14.4219 14.5097 14.5482 k = 0.5000 0.0481 0.5443 ( 2204 PWs) bands (ev): -1.0512 -0.9645 0.1403 0.1578 0.1957 0.5804 0.6780 0.7957 0.8542 0.8685 1.7518 1.8999 3.9665 4.1189 5.0359 5.1728 6.1601 6.1966 6.8935 6.9447 7.1254 7.1421 7.1953 7.3182 7.3873 7.4906 7.6897 7.7688 12.9995 13.0266 13.2124 13.2266 14.4799 14.5154 14.6173 14.6619 k = 0.5000 0.0561 0.5330 ( 2204 PWs) bands (ev): -1.0550 -0.9688 0.1374 0.1551 0.2003 0.5787 0.6789 0.7912 0.8557 0.8691 1.7321 1.8828 3.9679 4.1164 5.0421 5.1741 6.1931 6.2225 6.8944 6.9492 7.1268 7.1468 7.2064 7.3189 7.4072 7.5131 7.7122 7.7922 12.9131 12.9426 13.1486 13.1635 14.5841 14.6155 14.7317 14.7815 k = 0.5000 0.0642 0.5217 ( 2204 PWs) bands (ev): -1.0592 -0.9737 0.1345 0.1521 0.2051 0.5769 0.6800 0.7864 0.8571 0.8696 1.7109 1.8641 3.9656 4.1086 5.0569 5.1826 6.2248 6.2479 6.8956 6.9537 7.1285 7.1512 7.2159 7.3168 7.4360 7.5388 7.7404 7.8205 12.8258 12.8569 13.0861 13.1026 14.6929 14.7212 14.8516 14.9057 k = 0.5000 0.0722 0.5103 ( 2208 PWs) bands (ev): -1.0639 -0.9792 0.1314 0.1489 0.2101 0.5748 0.6811 0.7814 0.8584 0.8702 1.6884 1.8442 3.9590 4.0948 5.0811 5.1993 6.2539 6.2727 6.8970 6.9579 7.1303 7.1550 7.2233 7.3135 7.4713 7.5676 7.7756 7.8542 12.7383 12.7703 13.0258 13.0445 14.8052 14.8315 14.9759 15.0338 k = 0.5000 0.0802 0.4990 ( 2208 PWs) bands (ev): -1.0691 -0.9854 0.1284 0.1454 0.2154 0.5726 0.6824 0.7762 0.8596 0.8708 1.6651 1.8234 3.9476 4.0749 5.1152 5.2248 6.2794 6.2965 6.8986 6.9619 7.1325 7.1582 7.2284 7.3099 7.5111 7.5991 7.8187 7.8940 12.6510 12.6835 12.9684 12.9895 14.9204 14.9459 15.1039 15.1652 k = 0.5000 0.0882 0.4876 ( 2204 PWs) bands (ev): -1.0746 -0.9920 0.1255 0.1419 0.2210 0.5702 0.6838 0.7709 0.8608 0.8714 1.6415 1.8019 3.9314 4.0495 5.1585 5.2591 6.3009 6.3191 6.9004 6.9656 7.1349 7.1609 7.2313 7.3066 7.5538 7.6326 7.8705 7.9405 12.5642 12.5968 12.9143 12.9379 15.0375 15.0640 15.2346 15.2990 k = 0.5000 0.0962 0.4763 ( 2210 PWs) bands (ev): -1.0805 -0.9993 0.1224 0.1379 0.2267 0.5676 0.6850 0.7654 0.8619 0.8719 1.6178 1.7800 3.9108 4.0193 5.2102 5.3016 6.3190 6.3396 6.9023 6.9689 7.1375 7.1629 7.2323 7.3035 7.5981 7.6676 7.9310 7.9941 12.4780 12.5105 12.8639 12.8901 15.1556 15.1853 15.3669 15.4343 k = 0.5000 0.1042 0.4649 ( 2208 PWs) bands (ev): -1.0866 -1.0070 0.1194 0.1340 0.2327 0.5650 0.6864 0.7599 0.8631 0.8724 1.5943 1.7580 3.8862 3.9853 5.2690 5.3516 6.3341 6.3577 6.9044 6.9718 7.1403 7.1644 7.2316 7.3008 7.6434 7.7044 7.9996 8.0550 12.3924 12.4246 12.8176 12.8462 15.2728 15.3092 15.4987 15.5690 k = 0.5000 0.1123 0.4536 ( 2208 PWs) bands (ev): -1.0931 -1.0151 0.1165 0.1300 0.2389 0.5622 0.6877 0.7543 0.8642 0.8729 1.5714 1.7360 3.8585 3.9486 5.3337 5.4080 6.3469 6.3732 6.9065 6.9744 7.1432 7.1656 7.2297 7.2982 7.6896 7.7430 8.0753 8.1229 12.3073 12.3392 12.7756 12.8067 15.3848 15.4341 15.6236 15.6979 k = 0.5000 0.1203 0.4423 ( 2208 PWs) bands (ev): -1.0997 -1.0237 0.1135 0.1260 0.2453 0.5592 0.6890 0.7486 0.8653 0.8734 1.5492 1.7141 3.8283 3.9098 5.4029 5.4696 6.3576 6.3861 6.9088 6.9766 7.1463 7.1664 7.2270 7.2957 7.7368 7.7840 8.1569 8.1972 12.2227 12.2540 12.7382 12.7716 15.4780 15.5539 15.7161 15.8033 k = 0.5000 0.1283 0.4309 ( 2212 PWs) bands (ev): -1.1064 -1.0326 0.1106 0.1218 0.2519 0.5560 0.6901 0.7429 0.8664 0.8739 1.5280 1.6925 3.7963 3.8700 5.4753 5.5353 6.3665 6.3967 6.9110 6.9784 7.1494 7.1668 7.2238 7.2932 7.7856 7.8278 8.2430 8.2768 12.1382 12.1689 12.7057 12.7414 15.5063 15.5981 15.7496 15.8593 k = 0.5000 0.1363 0.4196 ( 2212 PWs) bands (ev): -1.1133 -1.0418 0.1077 0.1178 0.2588 0.5527 0.6911 0.7372 0.8676 0.8744 1.5079 1.6713 3.7632 3.8297 5.5499 5.6039 6.3738 6.4051 6.9133 6.9798 7.1525 7.1672 7.2205 7.2907 7.8368 7.8749 8.3323 8.3610 12.0537 12.0837 12.6783 12.7164 15.4080 15.4563 15.8577 15.9227 k = 0.5000 0.1443 0.4082 ( 2204 PWs) bands (ev): -1.1201 -1.0512 0.1050 0.1139 0.2660 0.5493 0.6920 0.7316 0.8689 0.8751 1.4891 1.6506 3.7296 3.7896 5.6255 5.6743 6.3799 6.4118 6.9157 6.9809 7.1555 7.1674 7.2172 7.2881 7.8911 7.9259 8.4237 8.4486 11.9689 11.9981 12.6565 12.6967 15.2292 15.2696 15.9893 16.0269 k = 0.5000 0.1524 0.3969 ( 2208 PWs) bands (ev): -1.1270 -1.0608 0.1022 0.1100 0.2732 0.5456 0.6926 0.7260 0.8702 0.8758 1.4716 1.6304 3.6960 3.7500 5.7009 5.7452 6.3849 6.4168 6.9179 6.9816 7.1582 7.1675 7.2142 7.2854 7.9492 7.9812 8.5162 8.5384 11.8833 11.9116 12.6405 12.6827 15.0307 15.0738 16.1259 16.1498 k = 0.5000 0.1604 0.3856 ( 2208 PWs) bands (ev): -1.1337 -1.0704 0.0995 0.1062 0.2808 0.5417 0.6931 0.7205 0.8716 0.8765 1.4555 1.6108 3.6629 3.7114 5.7754 5.8156 6.3889 6.4205 6.9202 6.9820 7.1605 7.1676 7.2117 7.2826 8.0118 8.0415 8.6088 8.6295 11.7965 11.8238 12.6305 12.6746 14.8319 14.8773 16.2647 16.2809 k = 0.5000 0.1684 0.3742 ( 2204 PWs) bands (ev): -1.1403 -1.0801 0.0969 0.1026 0.2886 0.5375 0.6934 0.7153 0.8730 0.8774 1.4409 1.5918 3.6305 3.6740 5.8479 5.8847 6.3921 6.4230 6.9226 6.9822 7.1623 7.1677 7.2099 7.2797 8.0795 8.1070 8.7006 8.7206 11.7081 11.7343 12.6269 12.6728 14.6382 14.6847 16.4046 16.4160 k = 0.5000 0.1764 0.3629 ( 2198 PWs) bands (ev): -1.1466 -1.0897 0.0945 0.0992 0.2966 0.5329 0.6935 0.7104 0.8746 0.8784 1.4278 1.5735 3.5992 3.6382 5.9178 5.9516 6.3948 6.4246 6.9248 6.9820 7.1635 7.1680 7.2088 7.2769 8.1529 8.1783 8.7909 8.8107 11.6175 11.6424 12.6300 12.6775 14.4523 14.4988 16.5442 16.5533 k = 0.5000 0.1844 0.3515 ( 2196 PWs) bands (ev): -1.1526 -1.0992 0.0921 0.0960 0.3049 0.5280 0.6932 0.7058 0.8761 0.8795 1.4163 1.5558 3.5693 3.6041 5.9841 6.0152 6.3969 6.4255 6.9271 6.9815 7.1642 7.1681 7.2085 7.2739 8.2320 8.2555 8.8789 8.8988 11.5242 11.5476 12.6399 12.6889 14.2755 14.3213 16.6567 16.6850 k = 0.5000 0.1925 0.3402 ( 2200 PWs) bands (ev): -1.1584 -1.1086 0.0897 0.0928 0.3133 0.5227 0.6926 0.7015 0.8777 0.8805 1.4062 1.5388 3.5410 3.5720 6.0464 6.0751 6.3987 6.4258 6.9293 6.9808 7.1644 7.1681 7.2089 7.2710 8.3172 8.3388 8.9640 8.9838 11.4276 11.4495 12.6569 12.7071 14.1092 14.1535 16.4687 16.5377 k = 0.5000 0.2005 0.3289 ( 2202 PWs) bands (ev): -1.1637 -1.1176 0.0875 0.0899 0.3220 0.5169 0.6917 0.6978 0.8793 0.8817 1.3976 1.5225 3.5145 3.5419 6.1042 6.1306 6.4002 6.4255 6.9315 6.9798 7.1645 7.1678 7.2101 7.2680 8.4085 8.4283 9.0454 9.0651 11.3274 11.3474 12.6809 12.7320 13.9545 13.9967 16.2693 16.3356 k = 0.5000 0.2085 0.3175 ( 2202 PWs) bands (ev): -1.1686 -1.1263 0.0855 0.0873 0.3308 0.5107 0.6904 0.6948 0.8809 0.8828 1.3905 1.5069 3.4899 3.5140 6.1572 6.1813 6.4016 6.4250 6.9337 6.9785 7.1644 7.1673 7.2118 7.2651 8.5057 8.5238 9.1224 9.1417 11.2231 11.2411 12.7119 12.7636 13.8122 13.8519 16.0749 16.1385 k = 0.5000 0.2165 0.3062 ( 2200 PWs) bands (ev): -1.1729 -1.1346 0.0836 0.0849 0.3398 0.5039 0.6887 0.6927 0.8825 0.8840 1.3849 1.4920 3.4674 3.4885 6.2050 6.2269 6.4030 6.4244 6.9360 6.9770 7.1644 7.1667 7.2139 7.2622 8.6085 8.6249 9.1946 9.2132 11.1146 11.1303 12.7495 12.8014 13.6831 13.7198 15.8876 15.9484 k = 0.5000 0.2245 0.2948 ( 2190 PWs) bands (ev): -1.1767 -1.1425 0.0819 0.0829 0.3491 0.4969 0.6867 0.6912 0.8842 0.8853 1.3809 1.4780 3.4471 3.4653 6.2475 6.2671 6.4046 6.4237 6.9383 6.9755 7.1644 7.1662 7.2163 7.2593 8.7161 8.7310 9.2615 9.2790 11.0019 11.0153 12.7931 12.8447 13.5678 13.6011 15.7088 15.7666 k = 0.5000 0.2325 0.2835 ( 2190 PWs) bands (ev): -1.1799 -1.1498 0.0803 0.0810 0.3585 0.4892 0.6849 0.6898 0.8856 0.8864 1.3781 1.4647 3.4291 3.4446 6.2846 6.3016 6.4066 6.4231 6.9406 6.9736 7.1643 7.1656 7.2188 7.2565 8.8276 8.8410 9.3228 9.3389 10.8853 10.8964 12.8417 12.8923 13.4668 13.4964 15.5403 15.5947 k = 0.5000 0.2406 0.2722 ( 2196 PWs) bands (ev): -1.1825 -1.1566 0.0789 0.0793 0.3679 0.4811 0.6834 0.6884 0.8868 0.8873 1.3768 1.4521 3.4134 3.4265 6.3160 6.3302 6.4093 6.4229 6.9429 6.9715 7.1641 7.1650 7.2214 7.2536 8.9414 8.9533 9.3786 9.3929 10.7657 10.7744 12.8937 12.9426 13.3804 13.4062 15.3841 15.4345 k = 0.5000 0.2486 0.2608 ( 2192 PWs) bands (ev): -1.1844 -1.1627 0.0777 0.0779 0.3776 0.4726 0.6824 0.6872 0.8880 0.8883 1.3768 1.4404 3.4002 3.4109 6.3416 6.3524 6.4132 6.4234 6.9452 6.9694 7.1641 7.1646 7.2241 7.2509 9.0550 9.0653 9.4297 9.4417 10.6443 10.6507 12.9468 12.9929 13.3092 13.3308 15.2427 15.2882 k = 0.5000 0.2566 0.2495 ( 2188 PWs) bands (ev): -1.1856 -1.1682 0.0767 0.0769 0.3873 0.4639 0.6817 0.6860 0.8890 0.8891 1.3781 1.4295 3.3895 3.3979 6.3613 6.3682 6.4186 6.4250 6.9476 6.9672 7.1640 7.1643 7.2268 7.2482 9.1644 9.1728 9.4777 9.4870 10.5234 10.5278 12.9975 13.0394 13.2538 13.2711 15.1194 15.1588 k = 0.5000 0.2646 0.2381 ( 2190 PWs) bands (ev): -1.1860 -1.1730 0.0759 0.0760 0.3970 0.4548 0.6814 0.6849 0.8897 0.8898 1.3806 1.4195 3.3813 3.3876 6.3748 6.3781 6.4250 6.4278 6.9500 6.9648 7.1639 7.1640 7.2295 7.2455 9.2623 9.2683 9.5259 9.5318 10.4067 10.4095 13.0410 13.0761 13.2162 13.2286 15.0180 15.0498 k = 0.5000 0.2726 0.2268 ( 2188 PWs) bands (ev): -1.1858 -1.1770 0.0754 0.0754 0.4069 0.4456 0.6813 0.6838 0.8903 0.8903 1.3843 1.4104 3.3758 3.3799 6.3827 6.3837 6.4308 6.4315 6.9525 6.9624 7.1639 7.1639 7.2321 7.2428 9.3381 9.3415 9.5773 9.5798 10.3015 10.3031 13.0712 13.0953 13.1994 13.2055 14.9429 14.9654 k = 0.5000 0.2807 0.2155 ( 2186 PWs) bands (ev): -1.1847 -1.1803 0.0750 0.0750 0.4167 0.4361 0.6817 0.6829 0.8906 0.8906 1.3892 1.4023 3.3728 3.3749 6.3865 6.3867 6.4347 6.4347 6.9550 6.9600 7.1638 7.1638 7.2348 7.2401 9.3835 9.3848 9.6251 9.6255 10.2219 10.2227 13.0860 13.0971 13.1987 13.1997 14.8983 14.9100 k = 0.5000 0.2887 0.2041 ( 2186 PWs) bands (ev): -1.1829 -1.1829 0.0749 0.0749 0.4264 0.4264 0.6822 0.6822 0.8907 0.8907 1.3953 1.3953 3.3725 3.3725 6.3876 6.3876 6.4360 6.4360 6.9575 6.9575 7.1638 7.1638 7.2375 7.2375 9.3982 9.3982 9.6463 9.6463 10.1908 10.1908 13.0926 13.0926 13.2004 13.2004 14.8870 14.8870 k = 0.5000 0.2887 0.2041 ( 2186 PWs) bands (ev): -1.1829 -1.1829 0.0749 0.0749 0.4264 0.4264 0.6822 0.6822 0.8907 0.8907 1.3953 1.3953 3.3725 3.3725 6.3876 6.3876 6.4360 6.4360 6.9575 6.9575 7.1638 7.1638 7.2375 7.2375 9.3982 9.3982 9.6463 9.6463 10.1908 10.1908 13.0926 13.0926 13.2004 13.2004 14.8870 14.8870 k = 0.4960 0.2863 0.2173 ( 2186 PWs) bands (ev): -1.1847 -1.1803 0.0750 0.0750 0.4166 0.4361 0.6817 0.6829 0.8906 0.8906 1.3892 1.4024 3.3728 3.3749 6.3865 6.3867 6.4347 6.4347 6.9550 6.9600 7.1638 7.1638 7.2348 7.2401 9.3833 9.3846 9.6250 9.6252 10.2222 10.2230 13.0860 13.0971 13.1988 13.1996 14.8984 14.9102 k = 0.4919 0.2840 0.2305 ( 2186 PWs) bands (ev): -1.1858 -1.1770 0.0754 0.0754 0.4068 0.4457 0.6814 0.6839 0.8903 0.8903 1.3843 1.4105 3.3758 3.3800 6.3827 6.3837 6.4308 6.4315 6.9525 6.9624 7.1639 7.1639 7.2321 7.2428 9.3376 9.3407 9.5774 9.5787 10.3028 10.3040 13.0712 13.0951 13.2005 13.2045 14.9436 14.9662 k = 0.4879 0.2817 0.2436 ( 2192 PWs) bands (ev): -1.1861 -1.1729 0.0758 0.0760 0.3969 0.4549 0.6813 0.6849 0.8896 0.8898 1.3806 1.4196 3.3815 3.3877 6.3746 6.3779 6.4249 6.4278 6.9500 6.9648 7.1639 7.1640 7.2294 7.2455 9.2610 9.2661 9.5270 9.5299 10.4091 10.4105 13.0417 13.0755 13.2192 13.2255 15.0196 15.0515 k = 0.4839 0.2794 0.2568 ( 2190 PWs) bands (ev): -1.1856 -1.1681 0.0766 0.0770 0.3871 0.4641 0.6817 0.6860 0.8888 0.8892 1.3780 1.4297 3.3897 3.3982 6.3609 6.3678 6.4185 6.4250 6.9476 6.9672 7.1640 7.1642 7.2267 7.2482 9.1619 9.1688 9.4806 9.4850 10.5265 10.5281 13.0004 13.0399 13.2582 13.2641 15.1221 15.1616 k = 0.4798 0.2770 0.2700 ( 2190 PWs) bands (ev): -1.1843 -1.1625 0.0774 0.0783 0.3773 0.4729 0.6824 0.6872 0.8877 0.8885 1.3768 1.4407 3.4006 3.4113 6.3410 6.3516 6.4132 6.4235 6.9452 6.9695 7.1641 7.1645 7.2240 7.2510 9.0507 9.0593 9.4354 9.4410 10.6469 10.6488 12.9546 12.9971 13.3131 13.3179 15.2468 15.2924 k = 0.4758 0.2747 0.2831 ( 2190 PWs) bands (ev): -1.1824 -1.1563 0.0784 0.0800 0.3677 0.4814 0.6836 0.6885 0.8864 0.8878 1.3768 1.4525 3.4139 3.4271 6.3149 6.3288 6.4094 6.4233 6.9428 6.9716 7.1643 7.1649 7.2213 7.2538 8.9346 8.9447 9.3884 9.3953 10.7650 10.7675 12.9108 12.9549 13.3811 13.3847 15.3899 15.4403 k = 0.4718 0.2724 0.2963 ( 2195 PWs) bands (ev): -1.1798 -1.1495 0.0794 0.0819 0.3581 0.4895 0.6851 0.6897 0.8848 0.8870 1.3782 1.4651 3.4297 3.4454 6.2828 6.2994 6.4068 6.4237 6.9405 6.9736 7.1644 7.1654 7.2186 7.2567 8.8176 8.8295 9.3385 9.3466 10.8766 10.8802 12.8748 12.9191 13.4605 13.4630 15.5482 15.6025 k = 0.4677 0.2701 0.3095 ( 2194 PWs) bands (ev): -1.1766 -1.1421 0.0806 0.0843 0.3487 0.4971 0.6871 0.6909 0.8831 0.8862 1.3810 1.4786 3.4480 3.4663 6.2449 6.2639 6.4051 6.4248 6.9382 6.9755 7.1646 7.1661 7.2160 7.2596 8.7024 8.7160 9.2855 9.2947 10.9779 10.9831 12.8516 12.8950 13.5502 13.5518 15.7192 15.7767 k = 0.4637 0.2677 0.3226 ( 2188 PWs) bands (ev): -1.1727 -1.1342 0.0819 0.0871 0.3396 0.5044 0.6897 0.6921 0.8812 0.8856 1.3852 1.4928 3.4685 3.4897 6.2013 6.2223 6.4040 6.4263 6.9360 6.9772 7.1648 7.1668 7.2135 7.2626 8.5904 8.6059 9.2294 9.2399 11.0651 11.0725 12.8459 12.8874 13.6493 13.6501 15.9009 15.9610 k = 0.4597 0.2654 0.3358 ( 2192 PWs) bands (ev): -1.1683 -1.1259 0.0831 0.0902 0.3305 0.5110 0.6926 0.6931 0.8791 0.8848 1.3909 1.5078 3.4912 3.5155 6.1518 6.1748 6.4031 6.4280 6.9337 6.9785 7.1649 7.1674 7.2112 7.2657 8.4827 8.5003 9.1708 9.1825 11.1350 11.1452 12.8615 12.9003 13.7569 13.7570 16.0916 16.1539 k = 0.4556 0.2631 0.3490 ( 2194 PWs) bands (ev): -1.1633 -1.1171 0.0842 0.0937 0.3216 0.5171 0.6940 0.6959 0.8769 0.8842 1.3980 1.5236 3.5161 3.5437 6.0968 6.1215 6.4025 6.4298 6.9315 6.9796 7.1650 7.1680 7.2093 7.2689 8.3802 8.4000 9.1101 9.1232 11.1856 11.1990 12.9012 12.9365 13.8719 13.8723 16.2894 16.3536 k = 0.4516 0.2607 0.3622 ( 2196 PWs) bands (ev): -1.1580 -1.1080 0.0854 0.0976 0.3130 0.5227 0.6949 0.6997 0.8746 0.8838 1.4066 1.5400 3.5428 3.5740 6.0363 6.0628 6.4020 6.4317 6.9292 6.9805 7.1652 7.1683 7.2079 7.2722 8.2834 8.3055 9.0479 9.0624 11.2165 11.2334 12.9654 12.9969 13.9940 13.9949 16.4870 16.5503 k = 0.4476 0.2584 0.3753 ( 2198 PWs) bands (ev): -1.1522 -1.0987 0.0865 0.1019 0.3046 0.5279 0.6955 0.7037 0.8723 0.8835 1.4167 1.5571 3.5714 3.6065 5.9706 5.9990 6.4015 6.4336 6.9269 6.9811 7.1653 7.1681 7.2072 7.2756 8.1926 8.2173 8.9846 9.0005 11.2291 11.2494 13.0531 13.0808 14.1228 14.1241 16.4589 16.4887 k = 0.4435 0.2561 0.3885 ( 2197 PWs) bands (ev): -1.1461 -1.0891 0.0876 0.1066 0.2965 0.5325 0.6961 0.7081 0.8700 0.8834 1.4284 1.5749 3.6015 3.6408 5.9000 5.9305 6.4012 6.4356 6.9246 6.9813 7.1655 7.1674 7.2074 7.2791 8.1081 8.1354 8.9208 8.9383 11.2262 11.2495 13.1615 13.1859 14.2578 14.2593 16.2851 16.3166 k = 0.4395 0.2538 0.4017 ( 2203 PWs) bands (ev): -1.1397 -1.0795 0.0886 0.1116 0.2886 0.5367 0.6964 0.7126 0.8676 0.8834 1.4415 1.5933 3.6329 3.6768 5.8252 5.8580 6.4009 6.4376 6.9222 6.9812 7.1656 7.1659 7.2087 7.2827 8.0298 8.0599 8.8567 8.8759 11.2111 11.2368 13.2874 13.3089 14.3983 14.4000 16.1080 16.1415 k = 0.4355 0.2514 0.4148 ( 2210 PWs) bands (ev): -1.1331 -1.0699 0.0894 0.1171 0.2810 0.5404 0.6966 0.7173 0.8654 0.8835 1.4560 1.6123 3.6653 3.7143 5.7470 5.7824 6.4006 6.4395 6.9198 6.9808 7.1637 7.1657 7.2109 7.2862 7.9578 7.9908 8.7929 8.8138 11.1868 11.2146 13.4276 13.4470 14.5441 14.5456 15.9312 15.9664 k = 0.4315 0.2491 0.4280 ( 2210 PWs) bands (ev): -1.1263 -1.0603 0.0902 0.1229 0.2737 0.5438 0.6967 0.7220 0.8633 0.8839 1.4719 1.6319 3.6984 3.7529 5.6660 5.7045 6.4002 6.4413 6.9174 6.9802 7.1611 7.1658 7.2142 7.2899 7.8918 7.9278 8.7297 8.7523 11.1562 11.1856 13.5793 13.5971 14.6945 14.6955 15.7560 15.7925 k = 0.4274 0.2468 0.4412 ( 2205 PWs) bands (ev): -1.1194 -1.0509 0.0909 0.1291 0.2668 0.5469 0.6967 0.7268 0.8613 0.8845 1.4893 1.6520 3.7316 3.7923 5.5835 5.6256 6.3999 6.4430 6.9150 6.9792 7.1580 7.1660 7.2183 7.2936 7.8317 7.8708 8.6675 8.6919 11.1215 11.1520 13.7399 13.7569 14.8485 14.8489 15.5839 15.6207 k = 0.4234 0.2444 0.4543 ( 2207 PWs) bands (ev): -1.1125 -1.0417 0.0914 0.1354 0.2602 0.5496 0.6965 0.7313 0.8595 0.8851 1.5078 1.6725 3.7645 3.8318 5.5005 5.5468 6.3995 6.4446 6.9125 6.9780 7.1546 7.1662 7.2230 7.2972 7.7770 7.8193 8.6063 8.6327 11.0842 11.1155 13.9074 13.9243 15.0004 15.0056 15.4193 15.4533 k = 0.4194 0.2421 0.4675 ( 2204 PWs) bands (ev): -1.1056 -1.0328 0.0918 0.1420 0.2540 0.5521 0.6962 0.7357 0.8578 0.8860 1.5274 1.6933 3.7963 3.8709 5.4185 5.4696 6.3990 6.4459 6.9100 6.9766 7.1510 7.1665 7.2283 7.3007 7.7274 7.7732 8.5467 8.5750 11.0458 11.0777 14.0795 14.0975 15.1162 15.1502 15.2974 15.3052 k = 0.4153 0.2398 0.4807 ( 2206 PWs) bands (ev): -1.0989 -1.0243 0.0921 0.1486 0.2482 0.5542 0.6958 0.7399 0.8562 0.8869 1.5479 1.7143 3.8262 3.9088 5.3389 5.3957 6.3984 6.4470 6.9075 6.9749 7.1474 7.1669 7.2339 7.3038 7.6826 7.7320 8.4886 8.5190 11.0070 11.0393 14.2533 14.2745 15.0380 15.1009 15.3599 15.3770 k = 0.4113 0.2375 0.4938 ( 2207 PWs) bands (ev): -1.0923 -1.0162 0.0922 0.1552 0.2430 0.5561 0.6953 0.7438 0.8548 0.8880 1.5691 1.7352 3.8534 3.9444 5.2637 5.3267 6.3977 6.4479 6.9050 6.9732 7.1439 7.1674 7.2399 7.3066 7.6423 7.6956 8.4324 8.4648 10.9687 11.0011 14.4222 14.4507 14.8907 14.9576 15.5231 15.5365 k = 0.4073 0.2351 0.5070 ( 2207 PWs) bands (ev): -1.0859 -1.0086 0.0922 0.1616 0.2384 0.5577 0.6948 0.7475 0.8535 0.8890 1.5907 1.7560 3.8767 3.9764 5.1949 5.2646 6.3969 6.4485 6.9025 6.9713 7.1405 7.1679 7.2459 7.3089 7.6063 7.6638 8.3783 8.4128 10.9313 10.9638 14.5540 14.5936 14.7741 14.8506 15.6955 15.7075 k = 0.4032 0.2328 0.5202 ( 2207 PWs) bands (ev): -1.0799 -1.0016 0.0920 0.1676 0.2346 0.5591 0.6942 0.7509 0.8523 0.8901 1.6124 1.7762 3.8951 4.0034 5.1348 5.2112 6.3960 6.4488 6.9002 6.9694 7.1373 7.1687 7.2519 7.3105 7.5743 7.6363 8.3263 8.3629 10.8952 10.9277 14.5300 14.5346 14.8666 14.8975 15.8720 15.8836 k = 0.3992 0.2305 0.5334 ( 2208 PWs) bands (ev): -1.0741 -0.9953 0.0918 0.1727 0.2320 0.5602 0.6936 0.7541 0.8512 0.8912 1.6337 1.7956 3.9075 4.0236 5.0858 5.1682 6.3950 6.4489 6.8979 6.9675 7.1345 7.1695 7.2576 7.3112 7.5461 7.6132 8.2767 8.3153 10.8606 10.8929 14.3845 14.4092 15.0435 15.0530 16.0515 16.0632 k = 0.3952 0.2281 0.5465 ( 2198 PWs) bands (ev): -1.0687 -0.9896 0.0916 0.1767 0.2310 0.5612 0.6931 0.7570 0.8501 0.8924 1.6544 1.8139 3.9134 4.0358 5.0501 5.1374 6.3939 6.4487 6.8959 6.9659 7.1321 7.1706 7.2629 7.3109 7.5219 7.5942 8.2296 8.2702 10.8277 10.8599 14.2336 14.2652 15.2271 15.2278 16.2330 16.2454 k = 0.3911 0.2258 0.5597 ( 2199 PWs) bands (ev): -1.0638 -0.9846 0.0911 0.1790 0.2316 0.5617 0.6924 0.7596 0.8491 0.8933 1.6736 1.8304 3.9126 4.0390 5.0293 5.1194 6.3928 6.4481 6.8941 6.9644 7.1301 7.1719 7.2671 7.3093 7.5015 7.5793 8.1850 8.2275 10.7965 10.8285 14.0838 14.1188 15.4033 15.4087 16.4151 16.4289 k = 0.3871 0.2235 0.5729 ( 2199 PWs) bands (ev): -1.0594 -0.9805 0.0906 0.1797 0.2341 0.5620 0.6918 0.7620 0.8480 0.8943 1.6910 1.8448 3.9056 4.0334 5.0242 5.1148 6.3915 6.4473 6.8926 6.9632 7.1285 7.1732 7.2702 7.3065 7.4851 7.5684 8.1430 8.1875 10.7672 10.7990 13.9366 13.9735 15.5721 15.5829 16.5936 16.6105 k = 0.3831 0.2212 0.5860 ( 2199 PWs) bands (ev): -1.0555 -0.9771 0.0900 0.1790 0.2380 0.5620 0.6913 0.7641 0.8469 0.8950 1.7058 1.8564 3.8939 4.0206 5.0340 5.1229 6.3903 6.4462 6.8914 6.9625 7.1274 7.1747 7.2716 7.3025 7.4730 7.5612 8.1038 8.1500 10.7398 10.7713 13.7926 13.8307 15.7268 15.7429 16.7504 16.7583 k = 0.3790 0.2188 0.5992 ( 2203 PWs) bands (ev): -1.0522 -0.9747 0.0893 0.1771 0.2429 0.5617 0.6907 0.7659 0.8456 0.8956 1.7173 1.8647 3.8792 4.0026 5.0574 5.1427 6.3890 6.4448 6.8906 6.9622 7.1267 7.1762 7.2712 7.2975 7.4652 7.5576 8.0674 8.1152 10.7141 10.7454 13.6520 13.6910 15.8590 15.8794 16.8054 16.8421 k = 0.3750 0.2165 0.6124 ( 2201 PWs) bands (ev): -1.0495 -0.9731 0.0886 0.1747 0.2485 0.5610 0.6903 0.7675 0.8444 0.8961 1.7250 1.8691 3.8638 3.9825 5.0922 5.1729 6.3877 6.4433 6.8903 6.9626 7.1266 7.1778 7.2691 7.2919 7.4617 7.5571 8.0339 8.0831 10.6903 10.7213 13.5151 13.5548 15.9600 15.9823 16.8695 16.9134 k = 0.6250-0.0722 0.4082 ( 2201 PWs) bands (ev): -1.0495 -0.9731 0.0886 0.1747 0.2485 0.5610 0.6903 0.7675 0.8444 0.8961 1.7250 1.8691 3.8638 3.9825 5.0922 5.1729 6.3877 6.4433 6.8903 6.9626 7.1266 7.1778 7.2691 7.2919 7.4617 7.5571 8.0339 8.0831 10.6903 10.7213 13.5151 13.5548 15.9600 15.9823 16.8695 16.9134 k = 0.6181-0.0842 0.4082 ( 2209 PWs) bands (ev): -1.0457 -0.9715 0.0874 0.1697 0.2586 0.5592 0.6896 0.7695 0.8424 0.8966 1.7330 1.8712 3.8384 3.9482 5.1646 5.2371 6.3858 6.4406 6.8903 6.9637 7.1269 7.1801 7.2641 7.2825 7.4593 7.5589 7.9798 8.0312 10.6504 10.6809 13.2860 13.3264 16.1052 16.1275 17.0119 17.0486 k = 0.6111-0.0962 0.4082 ( 2203 PWs) bands (ev): -1.0422 -0.9704 0.0864 0.1646 0.2694 0.5573 0.6891 0.7709 0.8410 0.8972 1.7384 1.8706 3.8140 3.9151 5.2441 5.3090 6.3844 6.4386 6.8910 6.9649 7.1280 7.1818 7.2601 7.2748 7.4569 7.5607 7.9278 7.9815 10.6096 10.6395 13.0639 13.1046 16.2530 16.2749 17.1550 17.1839 k = 0.6042-0.1083 0.4082 ( 2199 PWs) bands (ev): -1.0388 -0.9700 0.0854 0.1593 0.2806 0.5550 0.6887 0.7713 0.8404 0.8977 1.7414 1.8674 3.7908 3.8834 5.3294 5.3878 6.3835 6.4370 6.8922 6.9662 7.1298 7.1825 7.2569 7.2688 7.4543 7.5626 7.8779 7.9341 10.5675 10.5968 12.8498 12.8904 16.4032 16.4244 17.2983 17.3191 k = 0.5972-0.1203 0.4082 ( 2199 PWs) bands (ev): -1.0357 -0.9700 0.0845 0.1538 0.2921 0.5523 0.6884 0.7704 0.8406 0.8980 1.7425 1.8622 3.7689 3.8534 5.4193 5.4722 6.3831 6.4360 6.8940 6.9676 7.1324 7.1821 7.2548 7.2648 7.4514 7.5644 7.8303 7.8890 10.5234 10.5521 12.6448 12.6850 16.5556 16.5756 17.4414 17.4542 k = 0.5903-0.1323 0.4082 ( 2199 PWs) bands (ev): -1.0328 -0.9706 0.0837 0.1483 0.3039 0.5492 0.6882 0.7684 0.8417 0.8982 1.7422 1.8552 3.7482 3.8250 5.5127 5.5611 6.3832 6.4355 6.8965 6.9690 7.1360 7.1806 7.2540 7.2629 7.4479 7.5660 7.7851 7.8464 10.4769 10.5048 12.4503 12.4898 16.7098 16.7285 17.5837 17.5892 k = 0.5833-0.1443 0.4082 ( 2205 PWs) bands (ev): -1.0300 -0.9715 0.0829 0.1428 0.3159 0.5455 0.6880 0.7653 0.8436 0.8982 1.7407 1.8469 3.7290 3.7984 5.6080 5.6531 6.3838 6.4355 6.8999 6.9704 7.1408 7.1782 7.2545 7.2629 7.4436 7.5675 7.7424 7.8062 10.4272 10.4542 12.2676 12.3059 16.8656 16.8826 17.7244 17.7253 k = 0.5764-0.1564 0.4082 ( 2201 PWs) bands (ev): -1.0273 -0.9727 0.0824 0.1374 0.3283 0.5417 0.6882 0.7614 0.8463 0.8982 1.7386 1.8376 3.7113 3.7737 5.7037 5.7467 6.3850 6.4363 6.9042 6.9720 7.1472 7.1754 7.2566 7.2645 7.4385 7.5688 7.7023 7.7688 10.3738 10.3995 12.0982 12.1350 17.0228 17.0378 17.8596 17.8659 k = 0.5694-0.1684 0.4082 ( 2207 PWs) bands (ev): -1.0247 -0.9744 0.0819 0.1320 0.3407 0.5372 0.6884 0.7567 0.8494 0.8980 1.7360 1.8275 3.6950 3.7508 5.7982 5.8402 6.3869 6.4379 6.9095 6.9735 7.1551 7.1726 7.2606 7.2673 7.4322 7.5697 7.6650 7.7340 10.3162 10.3404 11.9436 11.9783 17.1808 17.1936 17.9950 18.0055 k = 0.5625-0.1804 0.4082 ( 2203 PWs) bands (ev): -1.0222 -0.9762 0.0818 0.1269 0.3534 0.5324 0.6889 0.7516 0.8529 0.8976 1.7334 1.8170 3.6805 3.7299 5.8896 5.9315 6.3898 6.4403 6.9159 6.9750 7.1649 7.1706 7.2669 7.2711 7.4246 7.5702 7.6307 7.7020 10.2543 10.2766 11.8050 11.8371 17.3393 17.3495 18.1301 18.1442 k = 0.5556-0.1925 0.4082 ( 2207 PWs) bands (ev): -1.0196 -0.9783 0.0818 0.1218 0.3660 0.5270 0.6896 0.7462 0.8566 0.8970 1.7309 1.8063 3.6676 3.7109 5.9758 6.0183 6.3938 6.4439 6.9235 6.9766 7.1697 7.1763 7.2751 7.2759 7.4155 7.5699 7.5997 7.6729 10.1885 10.2086 11.6834 11.7125 17.4975 17.5048 18.2645 18.2816 k = 0.5486-0.2045 0.4082 ( 2203 PWs) bands (ev): -1.0171 -0.9806 0.0821 0.1171 0.3787 0.5210 0.6907 0.7407 0.8604 0.8963 1.7289 1.7958 3.6565 3.6939 6.0546 6.0980 6.3997 6.4489 6.9323 6.9781 7.1709 7.1890 7.2793 7.2885 7.4047 7.5668 7.5741 7.6466 10.1198 10.1376 11.5791 11.6049 17.6545 17.6587 18.3976 18.4172 k = 0.5417-0.2165 0.4082 ( 2211 PWs) bands (ev): -1.0146 -0.9830 0.0826 0.1125 0.3913 0.5144 0.6919 0.7351 0.8642 0.8952 1.7274 1.7854 3.6471 3.6788 6.1239 6.1675 6.4084 6.4555 6.9417 6.9796 7.1748 7.2021 7.2828 7.3051 7.3922 7.5470 7.5679 7.6231 10.0504 10.0655 11.4921 11.5141 17.8090 17.8098 18.5281 18.5499 k = 0.5347-0.2285 0.4082 ( 2207 PWs) bands (ev): -1.0121 -0.9855 0.0834 0.1083 0.4038 0.5072 0.6935 0.7297 0.8680 0.8940 1.7268 1.7756 3.6395 3.6657 6.1819 6.2235 6.4209 6.4639 6.9516 6.9810 7.1822 7.2151 7.2854 7.3254 7.3788 7.5273 7.5643 7.6023 9.9828 9.9953 11.4215 11.4397 17.9561 17.9588 18.6545 18.6782 k = 0.5278-0.2406 0.4082 ( 2207 PWs) bands (ev): -1.0095 -0.9881 0.0845 0.1044 0.4161 0.4994 0.6954 0.7245 0.8715 0.8925 1.7270 1.7664 3.6336 3.6545 6.2277 6.2638 6.4378 6.4736 6.9611 6.9823 7.1936 7.2275 7.2863 7.3432 7.3700 7.5117 7.5592 7.5840 9.9206 9.9305 11.3663 11.3807 18.0945 18.1005 18.7749 18.8001 k = 0.5208-0.2526 0.4082 ( 2208 PWs) bands (ev): -1.0069 -0.9908 0.0858 0.1008 0.4281 0.4909 0.6977 0.7195 0.8750 0.8908 1.7282 1.7580 3.6297 3.6452 6.2614 6.2892 6.4572 6.4837 6.9693 6.9834 7.2092 7.2390 7.2852 7.3358 7.3872 7.4998 7.5526 7.5682 9.8673 9.8746 11.3253 11.3360 18.2203 18.2287 18.8875 18.9129 k = 0.5139-0.2646 0.4082 ( 2200 PWs) bands (ev): -1.0042 -0.9935 0.0876 0.0975 0.4398 0.4819 0.7004 0.7150 0.8783 0.8889 1.7306 1.7506 3.6276 3.6379 6.2846 6.3028 6.4753 6.4921 6.9759 6.9841 7.2285 7.2499 7.2819 7.3171 7.4145 7.4901 7.5456 7.5551 9.8265 9.8313 11.2974 11.3044 18.3255 18.3343 18.9913 19.0147 k = 0.5069-0.2766 0.4082 ( 2200 PWs) bands (ev): -1.0016 -0.9962 0.0896 0.0945 0.4511 0.4722 0.7034 0.7107 0.8813 0.8866 1.7340 1.7440 3.6273 3.6324 6.2991 6.3080 6.4888 6.4968 6.9803 6.9841 7.2502 7.2598 7.2763 7.2957 7.4409 7.4791 7.5404 7.5454 9.8011 9.8035 11.2816 11.2851 18.3990 18.4050 19.0878 19.1040 k = 0.5000-0.2887 0.4082 ( 2200 PWs) bands (ev): -0.9989 -0.9989 0.0919 0.0919 0.4619 0.4619 0.7069 0.7069 0.8841 0.8841 1.7385 1.7385 3.6289 3.6289 6.3066 6.3066 6.4960 6.4960 6.9829 6.9829 7.2684 7.2684 7.2734 7.2734 7.4630 7.4630 7.5401 7.5401 9.7932 9.7932 11.2776 11.2776 18.4280 18.4280 19.1737 19.1738 Writing output data file CdCuSb.save init_run : 1.37s CPU 0.83s WALL ( 1 calls) electrons : 224.46s CPU 129.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.15s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 224.46s CPU 129.62s 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 : 0.35s CPU 0.21s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.22s CPU 0.22s WALL ( 337 calls) cegterg : 203.37s CPU 117.58s WALL ( 416 calls) Called by sum_band: Called by *egterg: h_psi : 129.82s CPU 72.12s WALL ( 7207 calls) s_psi : 5.83s CPU 3.27s WALL ( 7207 calls) g_psi : 0.18s CPU 0.09s WALL ( 6454 calls) cdiaghg : 71.42s CPU 43.75s WALL ( 6791 calls) cegterg:over : 5.67s CPU 3.11s WALL ( 6454 calls) cegterg:upda : 3.60s CPU 2.20s WALL ( 6454 calls) cegterg:last : 1.94s CPU 1.11s WALL ( 1090 calls) cdiaghg:chol : 3.82s CPU 2.29s WALL ( 6791 calls) cdiaghg:inve : 1.81s CPU 1.18s WALL ( 6791 calls) cdiaghg:para : 3.77s CPU 2.35s WALL ( 13582 calls) Called by h_psi: h_psi:vloc : 116.97s CPU 64.87s WALL ( 7207 calls) h_psi:vnl : 12.71s CPU 7.16s WALL ( 7207 calls) add_vuspsi : 8.06s CPU 4.40s WALL ( 7207 calls) General routines calbec : 4.61s CPU 2.74s WALL ( 7207 calls) fft : 0.05s CPU 0.03s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 108.36s CPU 59.82s WALL ( 540312 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.32s CPU 0.32s WALL ( 674 calls) Parallel routines fft_scatter : 44.34s CPU 24.84s WALL ( 540335 calls) PWSCF : 3m56.22s CPU 2m32.53s WALL This run was terminated on: 15:44:32 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=