Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 1:30 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: ./HfSbRh.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S 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 48 29 8 1328 618 97 Max 49 30 9 1332 631 100 Sum 1735 1045 313 47855 22419 3527 bravais-lattice index = 14 lattice parameter (alat) = 8.3355 a.u. unit-cell volume = 409.5177 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 55.0000 Ry charge density cutoff = 364.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.335453 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 Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 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 1271 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 Rh read from file: /users/gautes/Pseudo/Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 05b2c48bcc7a2cf2a48258d60087199c Pseudo is Ultrasoft + core correction, Zval = 17.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1233 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 Hf 12.00 178.49000 Hf( 1.00) Sb 5.00 121.76000 Sb( 1.00) Rh 17.00 102.90550 Rh( 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 0.3431373), 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 0.4313725), 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 0.1704545), 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 0.4545455), 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 0.5241935), 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: 47855 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 22419 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 168, 42) NL pseudopotentials 0.13 Mb ( 84, 102) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1329) G-vector shells 0.00 Mb ( 372) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.43 Mb ( 168, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.13 Mb ( 102, 2, 42) The potential is recalculated from file : ./HfSbRh.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 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 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.4 secs Computing kpt #: 6 total cpu time spent up to now is 5.9 secs Computing kpt #: 7 total cpu time spent up to now is 6.4 secs Computing kpt #: 8 total cpu time spent up to now is 6.8 secs Computing kpt #: 9 total cpu time spent up to now is 7.4 secs Computing kpt #: 10 total cpu time spent up to now is 7.8 secs Computing kpt #: 11 total cpu time spent up to now is 8.3 secs Computing kpt #: 12 total cpu time spent up to now is 8.7 secs Computing kpt #: 13 total cpu time spent up to now is 9.2 secs Computing kpt #: 14 total cpu time spent up to now is 9.7 secs Computing kpt #: 15 total cpu time spent up to now is 10.1 secs Computing kpt #: 16 total cpu time spent up to now is 10.5 secs Computing kpt #: 17 total cpu time spent up to now is 10.9 secs Computing kpt #: 18 total cpu time spent up to now is 11.3 secs Computing kpt #: 19 total cpu time spent up to now is 11.8 secs Computing kpt #: 20 total cpu time spent up to now is 12.2 secs Computing kpt #: 21 total cpu time spent up to now is 12.6 secs Computing kpt #: 22 total cpu time spent up to now is 13.0 secs Computing kpt #: 23 total cpu time spent up to now is 13.4 secs Computing kpt #: 24 total cpu time spent up to now is 13.8 secs Computing kpt #: 25 total cpu time spent up to now is 14.3 secs Computing kpt #: 26 total cpu time spent up to now is 14.7 secs Computing kpt #: 27 total cpu time spent up to now is 15.1 secs Computing kpt #: 28 total cpu time spent up to now is 15.5 secs Computing kpt #: 29 total cpu time spent up to now is 16.0 secs Computing kpt #: 30 total cpu time spent up to now is 16.4 secs Computing kpt #: 31 total cpu time spent up to now is 16.8 secs Computing kpt #: 32 total cpu time spent up to now is 17.2 secs Computing kpt #: 33 total cpu time spent up to now is 17.7 secs Computing kpt #: 34 total cpu time spent up to now is 18.1 secs Computing kpt #: 35 total cpu time spent up to now is 18.6 secs Computing kpt #: 36 total cpu time spent up to now is 19.0 secs Computing kpt #: 37 total cpu time spent up to now is 19.4 secs Computing kpt #: 38 total cpu time spent up to now is 19.9 secs Computing kpt #: 39 total cpu time spent up to now is 20.3 secs Computing kpt #: 40 total cpu time spent up to now is 20.8 secs Computing kpt #: 41 total cpu time spent up to now is 21.2 secs Computing kpt #: 42 total cpu time spent up to now is 21.6 secs Computing kpt #: 43 total cpu time spent up to now is 22.1 secs Computing kpt #: 44 total cpu time spent up to now is 22.5 secs Computing kpt #: 45 total cpu time spent up to now is 23.1 secs Computing kpt #: 46 total cpu time spent up to now is 23.5 secs Computing kpt #: 47 total cpu time spent up to now is 24.0 secs Computing kpt #: 48 total cpu time spent up to now is 24.4 secs Computing kpt #: 49 total cpu time spent up to now is 24.8 secs Computing kpt #: 50 total cpu time spent up to now is 25.2 secs Computing kpt #: 51 total cpu time spent up to now is 25.6 secs Computing kpt #: 52 total cpu time spent up to now is 26.0 secs Computing kpt #: 53 total cpu time spent up to now is 26.5 secs Computing kpt #: 54 total cpu time spent up to now is 26.9 secs Computing kpt #: 55 total cpu time spent up to now is 27.3 secs Computing kpt #: 56 total cpu time spent up to now is 27.8 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 28.6 secs Computing kpt #: 59 total cpu time spent up to now is 29.0 secs Computing kpt #: 60 total cpu time spent up to now is 29.4 secs Computing kpt #: 61 total cpu time spent up to now is 29.8 secs Computing kpt #: 62 total cpu time spent up to now is 30.2 secs Computing kpt #: 63 total cpu time spent up to now is 30.6 secs Computing kpt #: 64 total cpu time spent up to now is 31.0 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 32.3 secs Computing kpt #: 68 total cpu time spent up to now is 32.7 secs Computing kpt #: 69 total cpu time spent up to now is 33.2 secs Computing kpt #: 70 total cpu time spent up to now is 33.6 secs Computing kpt #: 71 total cpu time spent up to now is 34.0 secs Computing kpt #: 72 total cpu time spent up to now is 34.5 secs Computing kpt #: 73 total cpu time spent up to now is 34.9 secs Computing kpt #: 74 total cpu time spent up to now is 35.3 secs Computing kpt #: 75 total cpu time spent up to now is 35.8 secs Computing kpt #: 76 total cpu time spent up to now is 36.2 secs Computing kpt #: 77 total cpu time spent up to now is 36.6 secs Computing kpt #: 78 total cpu time spent up to now is 37.0 secs Computing kpt #: 79 total cpu time spent up to now is 37.3 secs Computing kpt #: 80 total cpu time spent up to now is 37.8 secs Computing kpt #: 81 total cpu time spent up to now is 38.2 secs Computing kpt #: 82 total cpu time spent up to now is 38.6 secs Computing kpt #: 83 total cpu time spent up to now is 39.0 secs Computing kpt #: 84 total cpu time spent up to now is 39.4 secs Computing kpt #: 85 total cpu time spent up to now is 39.8 secs Computing kpt #: 86 total cpu time spent up to now is 40.2 secs Computing kpt #: 87 total cpu time spent up to now is 40.7 secs Computing kpt #: 88 total cpu time spent up to now is 41.1 secs Computing kpt #: 89 total cpu time spent up to now is 41.6 secs Computing kpt #: 90 total cpu time spent up to now is 42.0 secs Computing kpt #: 91 total cpu time spent up to now is 42.4 secs Computing kpt #: 92 total cpu time spent up to now is 42.8 secs Computing kpt #: 93 total cpu time spent up to now is 43.3 secs Computing kpt #: 94 total cpu time spent up to now is 43.8 secs Computing kpt #: 95 total cpu time spent up to now is 44.2 secs Computing kpt #: 96 total cpu time spent up to now is 44.6 secs Computing kpt #: 97 total cpu time spent up to now is 45.1 secs Computing kpt #: 98 total cpu time spent up to now is 45.5 secs Computing kpt #: 99 total cpu time spent up to now is 45.9 secs Computing kpt #: 100 total cpu time spent up to now is 46.3 secs Computing kpt #: 101 total cpu time spent up to now is 46.8 secs Computing kpt #: 102 total cpu time spent up to now is 47.2 secs Computing kpt #: 103 total cpu time spent up to now is 47.6 secs Computing kpt #: 104 total cpu time spent up to now is 48.1 secs Computing kpt #: 105 total cpu time spent up to now is 48.5 secs Computing kpt #: 106 total cpu time spent up to now is 48.9 secs Computing kpt #: 107 total cpu time spent up to now is 49.4 secs Computing kpt #: 108 total cpu time spent up to now is 49.8 secs Computing kpt #: 109 total cpu time spent up to now is 50.2 secs Computing kpt #: 110 total cpu time spent up to now is 50.6 secs Computing kpt #: 111 total cpu time spent up to now is 51.1 secs Computing kpt #: 112 total cpu time spent up to now is 51.5 secs Computing kpt #: 113 total cpu time spent up to now is 51.9 secs Computing kpt #: 114 total cpu time spent up to now is 52.4 secs Computing kpt #: 115 total cpu time spent up to now is 52.8 secs Computing kpt #: 116 total cpu time spent up to now is 53.2 secs Computing kpt #: 117 total cpu time spent up to now is 53.6 secs Computing kpt #: 118 total cpu time spent up to now is 54.0 secs Computing kpt #: 119 total cpu time spent up to now is 54.4 secs Computing kpt #: 120 total cpu time spent up to now is 54.8 secs Computing kpt #: 121 total cpu time spent up to now is 55.2 secs Computing kpt #: 122 total cpu time spent up to now is 55.6 secs Computing kpt #: 123 total cpu time spent up to now is 56.0 secs Computing kpt #: 124 total cpu time spent up to now is 56.5 secs Computing kpt #: 125 total cpu time spent up to now is 56.9 secs Computing kpt #: 126 total cpu time spent up to now is 57.4 secs Computing kpt #: 127 total cpu time spent up to now is 57.8 secs Computing kpt #: 128 total cpu time spent up to now is 58.2 secs Computing kpt #: 129 total cpu time spent up to now is 58.6 secs Computing kpt #: 130 total cpu time spent up to now is 59.1 secs Computing kpt #: 131 total cpu time spent up to now is 59.6 secs Computing kpt #: 132 total cpu time spent up to now is 60.0 secs Computing kpt #: 133 total cpu time spent up to now is 60.4 secs Computing kpt #: 134 total cpu time spent up to now is 60.8 secs Computing kpt #: 135 total cpu time spent up to now is 61.2 secs Computing kpt #: 136 total cpu time spent up to now is 61.6 secs Computing kpt #: 137 total cpu time spent up to now is 62.0 secs Computing kpt #: 138 total cpu time spent up to now is 62.4 secs Computing kpt #: 139 total cpu time spent up to now is 62.8 secs Computing kpt #: 140 total cpu time spent up to now is 63.2 secs Computing kpt #: 141 total cpu time spent up to now is 63.6 secs Computing kpt #: 142 total cpu time spent up to now is 64.0 secs Computing kpt #: 143 total cpu time spent up to now is 64.4 secs Computing kpt #: 144 total cpu time spent up to now is 64.9 secs Computing kpt #: 145 total cpu time spent up to now is 65.4 secs Computing kpt #: 146 total cpu time spent up to now is 65.8 secs Computing kpt #: 147 total cpu time spent up to now is 66.3 secs Computing kpt #: 148 total cpu time spent up to now is 66.8 secs Computing kpt #: 149 total cpu time spent up to now is 67.2 secs Computing kpt #: 150 total cpu time spent up to now is 67.7 secs Computing kpt #: 151 total cpu time spent up to now is 68.1 secs Computing kpt #: 152 total cpu time spent up to now is 68.5 secs Computing kpt #: 153 total cpu time spent up to now is 69.0 secs Computing kpt #: 154 total cpu time spent up to now is 69.4 secs Computing kpt #: 155 total cpu time spent up to now is 69.9 secs Computing kpt #: 156 total cpu time spent up to now is 70.3 secs Computing kpt #: 157 total cpu time spent up to now is 70.8 secs Computing kpt #: 158 total cpu time spent up to now is 71.2 secs Computing kpt #: 159 total cpu time spent up to now is 71.7 secs Computing kpt #: 160 total cpu time spent up to now is 72.1 secs Computing kpt #: 161 total cpu time spent up to now is 72.5 secs Computing kpt #: 162 total cpu time spent up to now is 72.9 secs Computing kpt #: 163 total cpu time spent up to now is 73.4 secs Computing kpt #: 164 total cpu time spent up to now is 73.8 secs Computing kpt #: 165 total cpu time spent up to now is 74.2 secs Computing kpt #: 166 total cpu time spent up to now is 74.6 secs Computing kpt #: 167 total cpu time spent up to now is 75.0 secs Computing kpt #: 168 total cpu time spent up to now is 75.4 secs Computing kpt #: 169 total cpu time spent up to now is 75.8 secs Computing kpt #: 170 total cpu time spent up to now is 76.2 secs Computing kpt #: 171 total cpu time spent up to now is 76.5 secs Computing kpt #: 172 total cpu time spent up to now is 76.9 secs Computing kpt #: 173 total cpu time spent up to now is 77.4 secs Computing kpt #: 174 total cpu time spent up to now is 77.8 secs Computing kpt #: 175 total cpu time spent up to now is 78.2 secs Computing kpt #: 176 total cpu time spent up to now is 78.6 secs Computing kpt #: 177 total cpu time spent up to now is 79.0 secs Computing kpt #: 178 total cpu time spent up to now is 79.3 secs Computing kpt #: 179 total cpu time spent up to now is 79.7 secs Computing kpt #: 180 total cpu time spent up to now is 80.1 secs Computing kpt #: 181 total cpu time spent up to now is 80.6 secs Computing kpt #: 182 total cpu time spent up to now is 81.0 secs Computing kpt #: 183 total cpu time spent up to now is 81.3 secs Computing kpt #: 184 total cpu time spent up to now is 81.8 secs Computing kpt #: 185 total cpu time spent up to now is 82.2 secs Computing kpt #: 186 total cpu time spent up to now is 82.6 secs Computing kpt #: 187 total cpu time spent up to now is 83.0 secs Computing kpt #: 188 total cpu time spent up to now is 83.4 secs Computing kpt #: 189 total cpu time spent up to now is 83.9 secs Computing kpt #: 190 total cpu time spent up to now is 84.3 secs Computing kpt #: 191 total cpu time spent up to now is 84.8 secs Computing kpt #: 192 total cpu time spent up to now is 85.2 secs Computing kpt #: 193 total cpu time spent up to now is 85.6 secs Computing kpt #: 194 total cpu time spent up to now is 86.0 secs Computing kpt #: 195 total cpu time spent up to now is 86.5 secs Computing kpt #: 196 total cpu time spent up to now is 86.9 secs Computing kpt #: 197 total cpu time spent up to now is 87.4 secs Computing kpt #: 198 total cpu time spent up to now is 87.8 secs Computing kpt #: 199 total cpu time spent up to now is 88.2 secs Computing kpt #: 200 total cpu time spent up to now is 88.6 secs Computing kpt #: 201 total cpu time spent up to now is 89.0 secs Computing kpt #: 202 total cpu time spent up to now is 89.5 secs Computing kpt #: 203 total cpu time spent up to now is 89.9 secs Computing kpt #: 204 total cpu time spent up to now is 90.4 secs Computing kpt #: 205 total cpu time spent up to now is 90.8 secs Computing kpt #: 206 total cpu time spent up to now is 91.2 secs Computing kpt #: 207 total cpu time spent up to now is 91.6 secs Computing kpt #: 208 total cpu time spent up to now is 92.1 secs Computing kpt #: 209 total cpu time spent up to now is 92.6 secs Computing kpt #: 210 total cpu time spent up to now is 93.0 secs Computing kpt #: 211 total cpu time spent up to now is 93.4 secs Computing kpt #: 212 total cpu time spent up to now is 93.8 secs Computing kpt #: 213 total cpu time spent up to now is 94.2 secs Computing kpt #: 214 total cpu time spent up to now is 94.7 secs Computing kpt #: 215 total cpu time spent up to now is 95.2 secs Computing kpt #: 216 total cpu time spent up to now is 95.6 secs Computing kpt #: 217 total cpu time spent up to now is 96.0 secs Computing kpt #: 218 total cpu time spent up to now is 96.5 secs Computing kpt #: 219 total cpu time spent up to now is 96.9 secs Computing kpt #: 220 total cpu time spent up to now is 97.3 secs Computing kpt #: 221 total cpu time spent up to now is 97.8 secs Computing kpt #: 222 total cpu time spent up to now is 98.2 secs Computing kpt #: 223 total cpu time spent up to now is 98.6 secs Computing kpt #: 224 total cpu time spent up to now is 99.1 secs Computing kpt #: 225 total cpu time spent up to now is 99.5 secs Computing kpt #: 226 total cpu time spent up to now is 99.9 secs Computing kpt #: 227 total cpu time spent up to now is 100.4 secs Computing kpt #: 228 total cpu time spent up to now is 100.8 secs Computing kpt #: 229 total cpu time spent up to now is 101.2 secs Computing kpt #: 230 total cpu time spent up to now is 101.6 secs Computing kpt #: 231 total cpu time spent up to now is 102.1 secs Computing kpt #: 232 total cpu time spent up to now is 102.5 secs Computing kpt #: 233 total cpu time spent up to now is 102.9 secs Computing kpt #: 234 total cpu time spent up to now is 103.4 secs Computing kpt #: 235 total cpu time spent up to now is 103.8 secs Computing kpt #: 236 total cpu time spent up to now is 104.2 secs Computing kpt #: 237 total cpu time spent up to now is 104.7 secs Computing kpt #: 238 total cpu time spent up to now is 105.1 secs Computing kpt #: 239 total cpu time spent up to now is 105.6 secs Computing kpt #: 240 total cpu time spent up to now is 106.0 secs Computing kpt #: 241 total cpu time spent up to now is 106.5 secs Computing kpt #: 242 total cpu time spent up to now is 106.9 secs Computing kpt #: 243 total cpu time spent up to now is 107.4 secs Computing kpt #: 244 total cpu time spent up to now is 107.8 secs Computing kpt #: 245 total cpu time spent up to now is 108.2 secs Computing kpt #: 246 total cpu time spent up to now is 108.6 secs Computing kpt #: 247 total cpu time spent up to now is 109.0 secs Computing kpt #: 248 total cpu time spent up to now is 109.4 secs Computing kpt #: 249 total cpu time spent up to now is 109.8 secs Computing kpt #: 250 total cpu time spent up to now is 110.2 secs Computing kpt #: 251 total cpu time spent up to now is 110.7 secs Computing kpt #: 252 total cpu time spent up to now is 111.1 secs Computing kpt #: 253 total cpu time spent up to now is 111.6 secs Computing kpt #: 254 total cpu time spent up to now is 112.0 secs Computing kpt #: 255 total cpu time spent up to now is 112.4 secs Computing kpt #: 256 total cpu time spent up to now is 112.8 secs Computing kpt #: 257 total cpu time spent up to now is 113.3 secs Computing kpt #: 258 total cpu time spent up to now is 113.8 secs Computing kpt #: 259 total cpu time spent up to now is 114.2 secs Computing kpt #: 260 total cpu time spent up to now is 114.6 secs Computing kpt #: 261 total cpu time spent up to now is 115.0 secs Computing kpt #: 262 total cpu time spent up to now is 115.5 secs Computing kpt #: 263 total cpu time spent up to now is 115.9 secs Computing kpt #: 264 total cpu time spent up to now is 116.4 secs Computing kpt #: 265 total cpu time spent up to now is 116.8 secs Computing kpt #: 266 total cpu time spent up to now is 117.3 secs Computing kpt #: 267 total cpu time spent up to now is 117.7 secs Computing kpt #: 268 total cpu time spent up to now is 118.2 secs Computing kpt #: 269 total cpu time spent up to now is 118.6 secs Computing kpt #: 270 total cpu time spent up to now is 119.1 secs Computing kpt #: 271 total cpu time spent up to now is 119.5 secs Computing kpt #: 272 total cpu time spent up to now is 120.0 secs Computing kpt #: 273 total cpu time spent up to now is 120.4 secs Computing kpt #: 274 total cpu time spent up to now is 120.8 secs Computing kpt #: 275 total cpu time spent up to now is 121.3 secs Computing kpt #: 276 total cpu time spent up to now is 121.7 secs Computing kpt #: 277 total cpu time spent up to now is 122.2 secs Computing kpt #: 278 total cpu time spent up to now is 122.6 secs Computing kpt #: 279 total cpu time spent up to now is 123.1 secs Computing kpt #: 280 total cpu time spent up to now is 123.5 secs Computing kpt #: 281 total cpu time spent up to now is 124.0 secs Computing kpt #: 282 total cpu time spent up to now is 124.4 secs Computing kpt #: 283 total cpu time spent up to now is 124.8 secs Computing kpt #: 284 total cpu time spent up to now is 125.2 secs Computing kpt #: 285 total cpu time spent up to now is 125.6 secs Computing kpt #: 286 total cpu time spent up to now is 126.1 secs Computing kpt #: 287 total cpu time spent up to now is 126.5 secs Computing kpt #: 288 total cpu time spent up to now is 126.9 secs Computing kpt #: 289 total cpu time spent up to now is 127.3 secs Computing kpt #: 290 total cpu time spent up to now is 127.8 secs Computing kpt #: 291 total cpu time spent up to now is 128.2 secs Computing kpt #: 292 total cpu time spent up to now is 128.6 secs Computing kpt #: 293 total cpu time spent up to now is 129.1 secs Computing kpt #: 294 total cpu time spent up to now is 129.6 secs Computing kpt #: 295 total cpu time spent up to now is 130.0 secs Computing kpt #: 296 total cpu time spent up to now is 130.4 secs Computing kpt #: 297 total cpu time spent up to now is 130.8 secs Computing kpt #: 298 total cpu time spent up to now is 131.2 secs Computing kpt #: 299 total cpu time spent up to now is 131.7 secs Computing kpt #: 300 total cpu time spent up to now is 132.2 secs Computing kpt #: 301 total cpu time spent up to now is 132.6 secs Computing kpt #: 302 total cpu time spent up to now is 133.0 secs Computing kpt #: 303 total cpu time spent up to now is 133.4 secs Computing kpt #: 304 total cpu time spent up to now is 133.8 secs Computing kpt #: 305 total cpu time spent up to now is 134.2 secs Computing kpt #: 306 total cpu time spent up to now is 134.7 secs Computing kpt #: 307 total cpu time spent up to now is 135.1 secs Computing kpt #: 308 total cpu time spent up to now is 135.6 secs Computing kpt #: 309 total cpu time spent up to now is 136.0 secs Computing kpt #: 310 total cpu time spent up to now is 136.5 secs Computing kpt #: 311 total cpu time spent up to now is 136.9 secs Computing kpt #: 312 total cpu time spent up to now is 137.4 secs Computing kpt #: 313 total cpu time spent up to now is 137.8 secs Computing kpt #: 314 total cpu time spent up to now is 138.2 secs Computing kpt #: 315 total cpu time spent up to now is 138.6 secs Computing kpt #: 316 total cpu time spent up to now is 139.0 secs Computing kpt #: 317 total cpu time spent up to now is 139.4 secs Computing kpt #: 318 total cpu time spent up to now is 139.9 secs Computing kpt #: 319 total cpu time spent up to now is 140.3 secs Computing kpt #: 320 total cpu time spent up to now is 140.7 secs Computing kpt #: 321 total cpu time spent up to now is 141.1 secs Computing kpt #: 322 total cpu time spent up to now is 141.6 secs Computing kpt #: 323 total cpu time spent up to now is 142.0 secs Computing kpt #: 324 total cpu time spent up to now is 142.4 secs Computing kpt #: 325 total cpu time spent up to now is 142.8 secs Computing kpt #: 326 total cpu time spent up to now is 143.2 secs Computing kpt #: 327 total cpu time spent up to now is 143.6 secs Computing kpt #: 328 total cpu time spent up to now is 144.0 secs Computing kpt #: 329 total cpu time spent up to now is 144.4 secs Computing kpt #: 330 total cpu time spent up to now is 144.8 secs Computing kpt #: 331 total cpu time spent up to now is 145.2 secs Computing kpt #: 332 total cpu time spent up to now is 145.6 secs Computing kpt #: 333 total cpu time spent up to now is 146.1 secs Computing kpt #: 334 total cpu time spent up to now is 146.5 secs Computing kpt #: 335 total cpu time spent up to now is 146.9 secs Computing kpt #: 336 total cpu time spent up to now is 147.4 secs Computing kpt #: 337 total cpu time spent up to now is 147.8 secs ethr = 2.94E-08, avg # of iterations = 17.3 total cpu time spent up to now is 147.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2741 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9557 -30.9557 -30.9557 -30.9557 -22.1878 -22.1878 -14.5510 -14.5510 -14.5510 -14.5510 2.5823 2.5823 10.4388 10.4388 10.6916 10.6916 10.6916 10.6916 10.8700 10.8700 10.8700 10.8700 11.7464 11.7464 12.0035 12.0035 12.0035 12.0035 15.0961 15.0961 16.8752 16.8752 16.8752 16.8752 19.1620 19.1620 k = 0.0098-0.0057 0.0080 ( 2741 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9557 -30.9557 -30.9557 -30.9557 -22.1878 -22.1878 -14.5510 -14.5510 -14.5510 -14.5510 2.5837 2.5837 10.4331 10.4331 10.6694 10.6694 10.6980 10.6980 10.8627 10.8627 10.8986 10.8986 11.7454 11.7454 11.9986 11.9986 12.0055 12.0055 15.1036 15.1036 16.8679 16.8679 16.8769 16.8769 19.1639 19.1639 k = 0.0196-0.0113 0.0160 ( 2741 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9557 -30.9557 -30.9557 -30.9557 -22.1878 -22.1878 -14.5512 -14.5512 -14.5510 -14.5510 2.5878 2.5878 10.4137 10.4137 10.6355 10.6355 10.7015 10.7015 10.8630 10.8630 10.9477 10.9477 11.7426 11.7426 11.9906 11.9906 12.0051 12.0051 15.1261 15.1261 16.8533 16.8533 16.8750 16.8750 19.1697 19.1697 k = 0.0294-0.0170 0.0240 ( 2749 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9557 -30.9557 -30.9557 -30.9557 -22.1879 -22.1879 -14.5515 -14.5515 -14.5511 -14.5511 2.5948 2.5948 10.3767 10.3767 10.6071 10.6071 10.7060 10.7060 10.8656 10.8656 11.0052 11.0052 11.7378 11.7378 11.9792 11.9792 12.0027 12.0027 15.1632 15.1632 16.8304 16.8304 16.8706 16.8706 19.1790 19.1790 k = 0.0392-0.0226 0.0320 ( 2757 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9557 -30.9557 -30.9557 -30.9557 -22.1879 -22.1879 -14.5518 -14.5518 -14.5512 -14.5512 2.6045 2.6045 10.3218 10.3218 10.5912 10.5912 10.7119 10.7119 10.8696 10.8696 11.0651 11.0651 11.7310 11.7310 11.9646 11.9646 11.9986 11.9986 15.2141 15.2141 16.7995 16.7995 16.8639 16.8639 19.1915 19.1915 k = 0.0490-0.0283 0.0400 ( 2758 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9558 -30.9558 -30.9557 -30.9557 -22.1880 -22.1880 -14.5523 -14.5523 -14.5514 -14.5514 2.6169 2.6169 10.2537 10.2537 10.5860 10.5860 10.7196 10.7196 10.8750 10.8750 11.1247 11.1247 11.7223 11.7223 11.9473 11.9473 11.9930 11.9930 15.2778 15.2778 16.7611 16.7611 16.8552 16.8552 19.2067 19.2067 k = 0.0588-0.0340 0.0480 ( 2770 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9558 -30.9558 -30.9557 -30.9557 -22.1881 -22.1881 -14.5528 -14.5528 -14.5516 -14.5516 2.6320 2.6320 10.1772 10.1772 10.5880 10.5880 10.7288 10.7288 10.8815 10.8815 11.1827 11.1827 11.7115 11.7115 11.9277 11.9277 11.9861 11.9861 15.3533 15.3533 16.7160 16.7160 16.8446 16.8446 19.2239 19.2239 k = 0.0686-0.0396 0.0560 ( 2770 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9559 -30.9559 -30.9557 -30.9557 -22.1882 -22.1882 -14.5535 -14.5535 -14.5518 -14.5518 2.6497 2.6497 10.0957 10.0957 10.5949 10.5949 10.7397 10.7397 10.8892 10.8892 11.2385 11.2385 11.6988 11.6988 11.9066 11.9066 11.9783 11.9783 15.4388 15.4388 16.6655 16.6655 16.8321 16.8321 19.2420 19.2420 k = 0.0784-0.0453 0.0640 ( 2786 PWs) bands (ev): -64.2294 -64.2294 -47.7733 -47.7733 -34.8493 -34.8493 -30.9559 -30.9559 -30.9557 -30.9557 -22.1883 -22.1883 -14.5542 -14.5542 -14.5521 -14.5521 2.6701 2.6701 10.0111 10.0111 10.6053 10.6053 10.7523 10.7523 10.8979 10.8979 11.2914 11.2914 11.6842 11.6842 11.8843 11.8843 11.9697 11.9697 15.5324 15.5324 16.6112 16.6112 16.8176 16.8176 19.2596 19.2596 k = 0.0882-0.0509 0.0720 ( 2786 PWs) bands (ev): -64.2294 -64.2294 -47.7733 -47.7733 -34.8493 -34.8493 -30.9560 -30.9560 -30.9557 -30.9557 -22.1884 -22.1884 -14.5550 -14.5550 -14.5523 -14.5523 2.6930 2.6930 9.9247 9.9247 10.6185 10.6185 10.7664 10.7664 10.9079 10.9079 11.3406 11.3406 11.6682 11.6682 11.8617 11.8617 11.9605 11.9605 15.6309 15.6309 16.5557 16.5557 16.8014 16.8014 19.2752 19.2752 k = 0.0980-0.0566 0.0800 ( 2786 PWs) bands (ev): -64.2294 -64.2294 -47.7733 -47.7733 -34.8493 -34.8493 -30.9560 -30.9560 -30.9556 -30.9556 -22.1885 -22.1885 -14.5559 -14.5559 -14.5526 -14.5526 2.7185 2.7185 9.8373 9.8373 10.6340 10.6340 10.7821 10.7821 10.9189 10.9189 11.3850 11.3850 11.6515 11.6515 11.8392 11.8392 11.9513 11.9513 15.7294 15.7294 16.5037 16.5037 16.7835 16.7835 19.2864 19.2864 k = 0.1078-0.0623 0.0881 ( 2794 PWs) bands (ev): -64.2294 -64.2294 -47.7733 -47.7733 -34.8493 -34.8493 -30.9561 -30.9561 -30.9556 -30.9556 -22.1887 -22.1887 -14.5568 -14.5568 -14.5529 -14.5529 2.7463 2.7463 9.7497 9.7497 10.6517 10.6517 10.7994 10.7994 10.9308 10.9308 11.4226 11.4226 11.6357 11.6357 11.8173 11.8173 11.9424 11.9424 15.8186 15.8186 16.4638 16.4638 16.7639 16.7639 19.2904 19.2904 k = 0.1176-0.0679 0.0961 ( 2798 PWs) bands (ev): -64.2294 -64.2294 -47.7733 -47.7733 -34.8493 -34.8493 -30.9562 -30.9562 -30.9556 -30.9556 -22.1888 -22.1888 -14.5579 -14.5579 -14.5533 -14.5533 2.7765 2.7765 9.6623 9.6623 10.6712 10.6712 10.8182 10.8182 10.9437 10.9437 11.4500 11.4500 11.6239 11.6239 11.7963 11.7963 11.9346 11.9346 15.8826 15.8826 16.4515 16.4515 16.7428 16.7428 19.2840 19.2840 k = 0.1275-0.0736 0.1041 ( 2794 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8493 -34.8493 -30.9562 -30.9562 -30.9556 -30.9556 -22.1890 -22.1890 -14.5590 -14.5590 -14.5536 -14.5536 2.8090 2.8090 9.5756 9.5756 10.6926 10.6926 10.8385 10.8385 10.9576 10.9576 11.4625 11.4625 11.6201 11.6201 11.7765 11.7765 11.9288 11.9288 15.9030 15.9030 16.4843 16.4843 16.7206 16.7206 19.2639 19.2639 k = 0.1373-0.0792 0.1121 ( 2794 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8493 -34.8493 -30.9563 -30.9563 -30.9555 -30.9555 -22.1891 -22.1891 -14.5601 -14.5601 -14.5540 -14.5540 2.8437 2.8437 9.4901 9.4901 10.7155 10.7155 10.8601 10.8601 10.9722 10.9722 11.4584 11.4584 11.6254 11.6254 11.7581 11.7581 11.9262 11.9262 15.8764 15.8764 16.5632 16.5632 16.6993 16.6993 19.2271 19.2271 k = 0.1471-0.0849 0.1201 ( 2794 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8492 -34.8492 -30.9564 -30.9564 -30.9555 -30.9555 -22.1893 -22.1893 -14.5614 -14.5614 -14.5544 -14.5544 2.8804 2.8804 9.4062 9.4062 10.7399 10.7399 10.8831 10.8831 10.9874 10.9874 11.4417 11.4417 11.6346 11.6346 11.7413 11.7413 11.9283 11.9283 15.8164 15.8164 16.6431 16.6431 16.7100 16.7100 19.1727 19.1727 k = 0.1569-0.0906 0.1281 ( 2802 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8492 -34.8492 -30.9565 -30.9565 -30.9555 -30.9555 -22.1895 -22.1895 -14.5627 -14.5627 -14.5548 -14.5548 2.9191 2.9191 9.3241 9.3241 10.7656 10.7656 10.9071 10.9071 11.0032 11.0032 11.4177 11.4177 11.6413 11.6413 11.7265 11.7265 11.9363 11.9363 15.7363 15.7363 16.6321 16.6321 16.8306 16.8306 19.1014 19.1014 k = 0.1667-0.0962 0.1361 ( 2814 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8492 -34.8492 -30.9566 -30.9566 -30.9555 -30.9555 -22.1897 -22.1897 -14.5641 -14.5641 -14.5553 -14.5553 2.9597 2.9597 9.2442 9.2442 10.7925 10.7925 10.9320 10.9320 11.0195 11.0195 11.3903 11.3903 11.6421 11.6421 11.7136 11.7136 11.9509 11.9509 15.6436 15.6436 16.6052 16.6052 16.9782 16.9782 19.0158 19.0158 k = 0.1765-0.1019 0.1441 ( 2814 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8492 -34.8492 -30.9566 -30.9566 -30.9554 -30.9554 -22.1899 -22.1899 -14.5654 -14.5654 -14.5557 -14.5557 3.0019 3.0019 9.1668 9.1668 10.8204 10.8204 10.9573 10.9573 11.0362 11.0362 11.3618 11.3618 11.6368 11.6368 11.7021 11.7021 11.9716 11.9716 15.5425 15.5425 16.5753 16.5753 17.1349 17.1349 18.9192 18.9192 k = 0.1863-0.1075 0.1521 ( 2814 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8492 -34.8492 -30.9567 -30.9567 -30.9554 -30.9554 -22.1901 -22.1901 -14.5669 -14.5669 -14.5562 -14.5562 3.0457 3.0457 9.0922 9.0922 10.8490 10.8490 10.9821 10.9821 11.0535 11.0535 11.3339 11.3339 11.6269 11.6269 11.6909 11.6909 11.9972 11.9972 15.4351 15.4351 16.5438 16.5438 17.2968 17.2968 18.8151 18.8151 k = 0.1961-0.1132 0.1601 ( 2818 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8492 -34.8492 -30.9568 -30.9568 -30.9554 -30.9554 -22.1903 -22.1903 -14.5684 -14.5684 -14.5567 -14.5567 3.0910 3.0910 9.0207 9.0207 10.8779 10.8779 11.0047 11.0047 11.0718 11.0718 11.3083 11.3083 11.6144 11.6144 11.6794 11.6794 12.0263 12.0263 15.3225 15.3225 16.5108 16.5108 17.4609 17.4609 18.7067 18.7067 k = 0.2059-0.1189 0.1681 ( 2818 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8492 -34.8492 -30.9569 -30.9569 -30.9554 -30.9554 -22.1905 -22.1905 -14.5698 -14.5698 -14.5572 -14.5572 3.1375 3.1375 8.9525 8.9525 10.9066 10.9066 11.0223 11.0223 11.0927 11.0927 11.2871 11.2871 11.6004 11.6004 11.6676 11.6676 12.0578 12.0578 15.2058 15.2058 16.4767 16.4767 17.6246 17.6246 18.5973 18.5973 k = 0.2157-0.1245 0.1761 ( 2818 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8492 -34.8492 -30.9570 -30.9570 -30.9553 -30.9553 -22.1907 -22.1907 -14.5714 -14.5714 -14.5577 -14.5577 3.1850 3.1850 8.8879 8.8879 10.9338 10.9338 11.0325 11.0325 11.1175 11.1175 11.2724 11.2724 11.5858 11.5858 11.6560 11.6560 12.0907 12.0907 15.0852 15.0852 16.4415 16.4415 17.7834 17.7834 18.4913 18.4913 k = 0.2255-0.1302 0.1841 ( 2826 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8492 -34.8492 -30.9571 -30.9571 -30.9553 -30.9553 -22.1909 -22.1909 -14.5729 -14.5729 -14.5582 -14.5582 3.2335 3.2335 8.8271 8.8271 10.9566 10.9566 11.0363 11.0363 11.1462 11.1462 11.2657 11.2657 11.5708 11.5708 11.6451 11.6451 12.1243 12.1243 14.9612 14.9612 16.4054 16.4054 17.9267 17.9267 18.3983 18.3983 k = 0.2353-0.1358 0.1921 ( 2826 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8492 -34.8492 -30.9572 -30.9572 -30.9553 -30.9553 -22.1911 -22.1911 -14.5745 -14.5745 -14.5587 -14.5587 3.2826 3.2826 8.7702 8.7702 10.9680 10.9680 11.0415 11.0415 11.1776 11.1776 11.2671 11.2671 11.5558 11.5558 11.6357 11.6357 12.1581 12.1581 14.8344 14.8344 16.3685 16.3685 18.0212 18.0212 18.3481 18.3481 k = 0.2451-0.1415 0.2001 ( 2826 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8492 -34.8492 -30.9573 -30.9573 -30.9553 -30.9553 -22.1913 -22.1913 -14.5760 -14.5760 -14.5592 -14.5592 3.3323 3.3323 8.7176 8.7176 10.9615 10.9615 11.0561 11.0561 11.2108 11.2108 11.2752 11.2752 11.5411 11.5411 11.6286 11.6286 12.1917 12.1917 14.7050 14.7050 16.3309 16.3309 18.0141 18.0141 18.3795 18.3795 k = 0.2549-0.1472 0.2081 ( 2826 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8492 -34.8492 -30.9574 -30.9574 -30.9552 -30.9552 -22.1915 -22.1915 -14.5776 -14.5776 -14.5597 -14.5597 3.3822 3.3822 8.6694 8.6694 10.9421 10.9421 11.0772 11.0772 11.2448 11.2448 11.2883 11.2883 11.5270 11.5270 11.6243 11.6243 12.2248 12.2248 14.5734 14.5734 16.2928 16.2928 17.9388 17.9388 18.4083 18.4083 k = 0.2647-0.1528 0.2161 ( 2826 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8492 -34.8492 -30.9575 -30.9575 -30.9552 -30.9552 -22.1918 -22.1918 -14.5791 -14.5791 -14.5602 -14.5602 3.4322 3.4322 8.6257 8.6257 10.9162 10.9162 11.0994 11.0994 11.2780 11.2780 11.3052 11.3052 11.5142 11.5142 11.6235 11.6235 12.2571 12.2571 14.4402 14.4402 16.2542 16.2542 17.8437 17.8437 18.3456 18.3456 k = 0.2745-0.1585 0.2241 ( 2842 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8492 -34.8492 -30.9576 -30.9576 -30.9552 -30.9552 -22.1920 -22.1920 -14.5807 -14.5807 -14.5607 -14.5607 3.4821 3.4821 8.5867 8.5867 10.8872 10.8872 11.1202 11.1202 11.3070 11.3070 11.3272 11.3272 11.5038 11.5038 11.6267 11.6267 12.2882 12.2882 14.3057 14.3057 16.2154 16.2154 17.7438 17.7438 18.2397 18.2397 k = 0.2843-0.1641 0.2321 ( 2838 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8491 -34.8491 -30.9577 -30.9577 -30.9552 -30.9552 -22.1922 -22.1922 -14.5822 -14.5822 -14.5613 -14.5613 3.5315 3.5315 8.5525 8.5525 10.8566 10.8566 11.1383 11.1383 11.3275 11.3275 11.3558 11.3558 11.4979 11.4979 11.6345 11.6345 12.3179 12.3179 14.1708 14.1708 16.1764 16.1764 17.6435 17.6435 18.1242 18.1242 k = 0.2941-0.1698 0.2401 ( 2838 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8491 -34.8491 -30.9578 -30.9578 -30.9551 -30.9551 -22.1924 -22.1924 -14.5837 -14.5837 -14.5617 -14.5617 3.5804 3.5804 8.5233 8.5233 10.8255 10.8255 11.1530 11.1530 11.3411 11.3411 11.3858 11.3858 11.4995 11.4995 11.6470 11.6470 12.3458 12.3458 14.0358 14.0358 16.1375 16.1375 17.5444 17.5444 18.0080 18.0080 k = 0.3039-0.1755 0.2482 ( 2838 PWs) bands (ev): -64.2294 -64.2294 -47.7730 -47.7730 -34.8491 -34.8491 -30.9579 -30.9579 -30.9551 -30.9551 -22.1926 -22.1926 -14.5851 -14.5851 -14.5622 -14.5622 3.6284 3.6284 8.4991 8.4991 10.7944 10.7944 11.1642 11.1642 11.3477 11.3477 11.4138 11.4138 11.5114 11.5114 11.6641 11.6641 12.3714 12.3714 13.9018 13.9018 16.0987 16.0987 17.4473 17.4473 17.8936 17.8936 k = 0.3137-0.1811 0.2562 ( 2838 PWs) bands (ev): -64.2294 -64.2294 -47.7730 -47.7730 -34.8491 -34.8491 -30.9580 -30.9580 -30.9551 -30.9551 -22.1928 -22.1928 -14.5866 -14.5866 -14.5627 -14.5627 3.6753 3.6753 8.4800 8.4800 10.7636 10.7636 11.1718 11.1718 11.3470 11.3470 11.4399 11.4399 11.5334 11.5334 11.6857 11.6857 12.3941 12.3941 13.7698 13.7698 16.0602 16.0602 17.3522 17.3522 17.7811 17.7811 k = 0.3235-0.1868 0.2642 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8491 -34.8491 -30.9581 -30.9581 -30.9551 -30.9551 -22.1930 -22.1930 -14.5879 -14.5879 -14.5631 -14.5631 3.7210 3.7210 8.4659 8.4659 10.7335 10.7335 11.1765 11.1765 11.3408 11.3408 11.4651 11.4651 11.5621 11.5621 11.7114 11.7114 12.4131 12.4131 13.6410 13.6410 16.0222 16.0222 17.2594 17.2594 17.6691 17.6692 k = 0.3333-0.1925 0.2722 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8491 -34.8491 -30.9582 -30.9582 -30.9550 -30.9550 -22.1932 -22.1932 -14.5892 -14.5892 -14.5636 -14.5636 3.7651 3.7651 8.4568 8.4568 10.7043 10.7043 11.1785 11.1785 11.3311 11.3311 11.4900 11.4900 11.5943 11.5943 11.7406 11.7406 12.4275 12.4275 13.5171 13.5171 15.9848 15.9848 17.1687 17.1687 17.5578 17.5578 k = 0.3431-0.1981 0.2802 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8491 -34.8491 -30.9583 -30.9583 -30.9550 -30.9550 -22.1933 -22.1933 -14.5906 -14.5906 -14.5640 -14.5640 3.8075 3.8075 8.4526 8.4526 10.6761 10.6761 11.1784 11.1784 11.3195 11.3195 11.5147 11.5147 11.6278 11.6278 11.7726 11.7726 12.4356 12.4356 13.4001 13.4001 15.9482 15.9482 17.0802 17.0802 17.4485 17.4485 k = 0.3529-0.2038 0.2882 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8491 -34.8491 -30.9583 -30.9583 -30.9550 -30.9550 -22.1935 -22.1935 -14.5918 -14.5918 -14.5644 -14.5644 3.8480 3.8480 8.4532 8.4532 10.6491 10.6491 11.1768 11.1768 11.3070 11.3070 11.5390 11.5390 11.6611 11.6611 11.8067 11.8067 12.4358 12.4358 13.2926 13.2926 15.9126 15.9126 16.9940 16.9940 17.3426 17.3426 k = 0.3627-0.2094 0.2962 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8491 -34.8491 -30.9584 -30.9584 -30.9550 -30.9550 -22.1937 -22.1937 -14.5930 -14.5930 -14.5648 -14.5648 3.8865 3.8865 8.4583 8.4583 10.6234 10.6234 11.1741 11.1741 11.2943 11.2943 11.5627 11.5627 11.6932 11.6932 11.8422 11.8422 12.4258 12.4258 13.1978 13.1978 15.8781 15.8781 16.9104 16.9104 17.2407 17.2407 k = 0.3725-0.2151 0.3042 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8491 -34.8491 -30.9585 -30.9585 -30.9550 -30.9550 -22.1938 -22.1938 -14.5941 -14.5941 -14.5652 -14.5652 3.9227 3.9227 8.4677 8.4677 10.5992 10.5992 11.1706 11.1706 11.2817 11.2817 11.5855 11.5855 11.7231 11.7231 11.8785 11.8785 12.4038 12.4038 13.1184 13.1184 15.8450 15.8450 16.8295 16.8295 17.1433 17.1433 k = 0.3824-0.2208 0.3122 ( 2814 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8491 -34.8491 -30.9586 -30.9586 -30.9550 -30.9550 -22.1940 -22.1940 -14.5951 -14.5951 -14.5655 -14.5655 3.9565 3.9565 8.4809 8.4809 10.5766 10.5766 11.1667 11.1667 11.2695 11.2695 11.6075 11.6075 11.7498 11.7498 11.9150 11.9150 12.3693 12.3693 13.0565 13.0565 15.8134 15.8134 16.7519 16.7519 17.0511 17.0511 k = 0.3922-0.2264 0.3202 ( 2810 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8491 -34.8491 -30.9586 -30.9586 -30.9549 -30.9549 -22.1941 -22.1941 -14.5961 -14.5961 -14.5658 -14.5658 3.9879 3.9879 8.4975 8.4975 10.5556 10.5556 11.1626 11.1626 11.2579 11.2579 11.6282 11.6283 11.7717 11.7717 11.9510 11.9510 12.3241 12.3241 13.0120 13.0120 15.7834 15.7834 16.6781 16.6781 16.9642 16.9642 k = 0.4020-0.2321 0.3282 ( 2818 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8491 -34.8491 -30.9587 -30.9587 -30.9549 -30.9549 -22.1942 -22.1942 -14.5971 -14.5971 -14.5661 -14.5661 4.0167 4.0167 8.5169 8.5169 10.5363 10.5363 11.1584 11.1584 11.2468 11.2468 11.6477 11.6477 11.7867 11.7867 11.9859 11.9859 12.2733 12.2733 12.9825 12.9825 15.7552 15.7552 16.6084 16.6084 16.8831 16.8831 k = 0.4118-0.2377 0.3362 ( 2818 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8491 -34.8491 -30.9587 -30.9587 -30.9549 -30.9549 -22.1944 -22.1944 -14.5979 -14.5979 -14.5664 -14.5664 4.0429 4.0429 8.5384 8.5384 10.5187 10.5187 11.1544 11.1544 11.2366 11.2366 11.6658 11.6658 11.7920 11.7920 12.0193 12.0193 12.2236 12.2236 12.9646 12.9646 15.7291 15.7291 16.5436 16.5436 16.8084 16.8084 k = 0.4216-0.2434 0.3442 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8491 -34.8491 -30.9588 -30.9588 -30.9549 -30.9549 -22.1945 -22.1945 -14.5987 -14.5987 -14.5666 -14.5666 4.0663 4.0663 8.5614 8.5614 10.5030 10.5030 11.1506 11.1506 11.2271 11.2271 11.6823 11.6823 11.7848 11.7848 12.0507 12.0507 12.1820 12.1820 12.9548 12.9548 15.7051 15.7051 16.4839 16.4839 16.7402 16.7402 k = 0.4314-0.2491 0.3522 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8491 -34.8491 -30.9588 -30.9588 -30.9549 -30.9549 -22.1946 -22.1946 -14.5993 -14.5993 -14.5669 -14.5669 4.0871 4.0871 8.5849 8.5849 10.4892 10.4892 11.1472 11.1472 11.2187 11.2187 11.6971 11.6971 11.7638 11.7638 12.0794 12.0794 12.1531 12.1531 12.9503 12.9503 15.6835 15.6835 16.4301 16.4301 16.6790 16.6790 k = 0.4412-0.2547 0.3602 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8491 -34.8491 -30.9589 -30.9589 -30.9549 -30.9549 -22.1946 -22.1946 -14.5999 -14.5999 -14.5670 -14.5670 4.1051 4.1051 8.6081 8.6081 10.4772 10.4772 11.1441 11.1441 11.2112 11.2112 11.7095 11.7095 11.7322 11.7322 12.1047 12.1047 12.1378 12.1378 12.9492 12.9492 15.6643 15.6643 16.3824 16.3824 16.6251 16.6251 k = 0.4510-0.2604 0.3682 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8490 -34.8490 -30.9589 -30.9589 -30.9549 -30.9549 -22.1947 -22.1947 -14.6004 -14.6004 -14.5672 -14.5672 4.1203 4.1203 8.6299 8.6299 10.4672 10.4672 11.1416 11.1416 11.2047 11.2047 11.6919 11.6919 11.7228 11.7228 12.1224 12.1224 12.1366 12.1366 12.9500 12.9500 15.6479 15.6479 16.3413 16.3413 16.5789 16.5789 k = 0.4608-0.2660 0.3762 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8490 -34.8490 -30.9589 -30.9589 -30.9549 -30.9549 -22.1948 -22.1948 -14.6009 -14.6009 -14.5673 -14.5673 4.1327 4.1327 8.6494 8.6494 10.4590 10.4590 11.1395 11.1395 11.1993 11.1993 11.6538 11.6538 11.7317 11.7317 12.1270 12.1270 12.1508 12.1508 12.9516 12.9516 15.6342 15.6342 16.3072 16.3072 16.5407 16.5407 k = 0.4706-0.2717 0.3842 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8490 -34.8490 -30.9589 -30.9589 -30.9549 -30.9549 -22.1948 -22.1948 -14.6012 -14.6012 -14.5675 -14.5675 4.1424 4.1424 8.6658 8.6658 10.4527 10.4527 11.1379 11.1379 11.1951 11.1951 11.6198 11.6198 11.7390 11.7390 12.1300 12.1300 12.1652 12.1652 12.9534 12.9534 15.6234 15.6234 16.2803 16.2803 16.5107 16.5107 k = 0.4804-0.2774 0.3922 ( 2818 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8490 -34.8490 -30.9590 -30.9590 -30.9549 -30.9549 -22.1948 -22.1948 -14.6014 -14.6014 -14.5675 -14.5675 4.1493 4.1493 8.6781 8.6781 10.4482 10.4482 11.1368 11.1368 11.1921 11.1921 11.5934 11.5934 11.7444 11.7444 12.1330 12.1330 12.1761 12.1761 12.9551 12.9551 15.6156 15.6156 16.2609 16.2609 16.4891 16.4891 k = 0.4902-0.2830 0.4002 ( 2806 PWs) bands (ev): -64.2292 -64.2292 -47.7729 -47.7729 -34.8490 -34.8490 -30.9589 -30.9589 -30.9549 -30.9549 -22.1948 -22.1948 -14.6015 -14.6015 -14.5675 -14.5675 4.1535 4.1535 8.6858 8.6858 10.4456 10.4456 11.1362 11.1362 11.1903 11.1903 11.5768 11.5768 11.7476 11.7476 12.1352 12.1352 12.1827 12.1827 12.9561 12.9561 15.6110 15.6110 16.2493 16.2493 16.4761 16.4761 k = 0.5000-0.2887 0.4082 ( 2794 PWs) bands (ev): -64.2292 -64.2292 -47.7729 -47.7729 -34.8490 -34.8490 -30.9589 -30.9589 -30.9549 -30.9549 -22.1948 -22.1948 -14.6015 -14.6015 -14.5675 -14.5675 4.1549 4.1549 8.6884 8.6884 10.4447 10.4447 11.1360 11.1360 11.1897 11.1897 11.5711 11.5711 11.7487 11.7487 12.1361 12.1361 12.1850 12.1850 12.9566 12.9566 15.6094 15.6094 16.2454 16.2454 16.4717 16.4717 k = 0.5000-0.2887 0.4082 ( 2794 PWs) bands (ev): -64.2292 -64.2292 -47.7729 -47.7729 -34.8490 -34.8490 -30.9589 -30.9589 -30.9549 -30.9549 -22.1948 -22.1948 -14.6015 -14.6015 -14.5675 -14.5675 4.1549 4.1549 8.6884 8.6884 10.4447 10.4447 11.1360 11.1360 11.1897 11.1897 11.5711 11.5711 11.7487 11.7487 12.1361 12.1361 12.1850 12.1850 12.9566 12.9566 15.6094 15.6094 16.2454 16.2454 16.4717 16.4717 k = 0.5000-0.2776 0.4161 ( 2804 PWs) bands (ev): -64.2292 -64.2292 -47.7729 -47.7729 -34.8491 -34.8490 -30.9590 -30.9589 -30.9550 -30.9548 -22.1949 -22.1948 -14.6018 -14.6012 -14.5676 -14.5675 4.1504 4.1597 8.6886 8.6902 10.4405 10.4407 11.1199 11.1463 11.1842 11.1955 11.5558 11.5841 11.7262 11.7711 12.1233 12.1447 12.1842 12.1986 12.9596 12.9630 15.5947 15.6189 16.2256 16.2604 16.4535 16.4790 k = 0.5000-0.2665 0.4240 ( 2814 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8492 -34.8489 -30.9590 -30.9589 -30.9551 -30.9547 -22.1949 -22.1948 -14.6021 -14.6009 -14.5678 -14.5675 4.1464 4.1649 8.6908 8.6940 10.4281 10.4287 11.1001 11.1376 11.1902 11.2010 11.5403 11.5941 11.7072 11.7885 12.1166 12.1467 12.1901 12.2237 12.9718 12.9792 15.5747 15.6234 16.2028 16.2688 16.4261 16.4784 k = 0.5000-0.2554 0.4318 ( 2816 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8492 -34.8488 -30.9591 -30.9589 -30.9552 -30.9546 -22.1949 -22.1948 -14.6023 -14.6005 -14.5680 -14.5676 4.1427 4.1705 8.6949 8.6998 10.4081 10.4094 11.0756 11.1080 11.2088 11.2089 11.5272 11.6011 11.6923 11.7965 12.1215 12.1464 12.2002 12.2527 12.9930 13.0053 15.5495 15.6228 16.1786 16.2675 16.3974 16.4744 k = 0.5000-0.2443 0.4397 ( 2824 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8493 -34.8488 -30.9591 -30.9588 -30.9553 -30.9545 -22.1950 -22.1948 -14.6025 -14.6001 -14.5682 -14.5677 4.1395 4.1763 8.7011 8.7075 10.3814 10.3838 11.0454 11.0650 11.2203 11.2325 11.5181 11.6058 11.6810 11.7945 12.1368 12.1459 12.2141 12.2812 13.0232 13.0412 15.5191 15.6169 16.1547 16.2528 16.3768 16.4697 k = 0.5000-0.2332 0.4475 ( 2824 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8494 -34.8487 -30.9592 -30.9588 -30.9554 -30.9543 -22.1950 -22.1948 -14.6026 -14.5996 -14.5685 -14.5678 4.1367 4.1825 8.7092 8.7173 10.3490 10.3527 11.0099 11.0123 11.2353 11.2590 11.5135 11.6083 11.6724 11.7856 12.1458 12.1573 12.2323 12.3072 13.0621 13.0866 15.4840 15.6057 16.1324 16.2260 16.3673 16.4657 k = 0.5000-0.2221 0.4554 ( 2824 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8495 -34.8486 -30.9592 -30.9588 -30.9555 -30.9542 -22.1950 -22.1947 -14.6027 -14.5991 -14.5688 -14.5679 4.1343 4.1890 8.7192 8.7290 10.3117 10.3170 10.9530 10.9698 11.2535 11.2870 11.5125 11.6092 11.6656 11.7733 12.1464 12.1775 12.2554 12.3299 13.1094 13.1405 15.4446 15.5890 16.1127 16.1943 16.3651 16.4628 k = 0.5000-0.2110 0.4632 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8495 -34.8486 -30.9593 -30.9588 -30.9556 -30.9541 -22.1950 -22.1947 -14.6027 -14.5985 -14.5691 -14.5681 4.1322 4.1956 8.7312 8.7427 10.2706 10.2775 10.8895 10.9261 11.2741 11.3159 11.5145 11.6085 11.6602 11.7604 12.1475 12.1948 12.2820 12.3491 13.1646 13.2018 15.4019 15.5672 16.0959 16.1635 16.3662 16.4611 k = 0.5000-0.1999 0.4711 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8496 -34.8485 -30.9593 -30.9588 -30.9556 -30.9540 -22.1951 -22.1947 -14.6027 -14.5979 -14.5695 -14.5683 4.1305 4.2024 8.7451 8.7584 10.2264 10.2350 10.8239 10.8797 11.2964 11.3449 11.5187 11.6065 11.6559 11.7484 12.1490 12.2092 12.3096 12.3651 13.2267 13.2691 15.3568 15.5405 16.0821 16.1365 16.3685 16.4604 k = 0.5000-0.1887 0.4789 ( 2838 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8497 -34.8484 -30.9594 -30.9588 -30.9557 -30.9539 -22.1951 -22.1947 -14.6027 -14.5973 -14.5700 -14.5685 4.1292 4.2094 8.7609 8.7759 10.1798 10.1900 10.7575 10.8317 11.3198 11.3731 11.5249 11.6036 11.6524 11.7380 12.1506 12.2215 12.3363 12.3783 13.2947 13.3410 15.3102 15.5099 16.0711 16.1143 16.3711 16.4606 k = 0.5000-0.1776 0.4868 ( 2834 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8497 -34.8484 -30.9594 -30.9588 -30.9558 -30.9538 -22.1951 -22.1947 -14.6027 -14.5967 -14.5704 -14.5687 4.1281 4.2164 8.7785 8.7954 10.1314 10.1430 10.6916 10.7829 11.3439 11.4000 11.5330 11.6002 11.6498 11.7294 12.1523 12.2320 12.3609 12.3892 13.3674 13.4162 15.2630 15.4764 16.0627 16.0971 16.3738 16.4614 k = 0.5000-0.1665 0.4946 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8498 -34.8483 -30.9594 -30.9588 -30.9558 -30.9537 -22.1951 -22.1946 -14.6026 -14.5960 -14.5709 -14.5690 4.1274 4.2235 8.7980 8.8167 10.0815 10.0945 10.6270 10.7341 11.3682 11.4246 11.5429 11.5966 11.6481 11.7225 12.1536 12.2409 12.3832 12.3982 13.4436 13.4933 15.2163 15.4411 16.0564 16.0844 16.3762 16.4627 k = 0.5000-0.1554 0.5025 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8498 -34.8483 -30.9595 -30.9588 -30.9559 -30.9536 -22.1951 -22.1946 -14.6025 -14.5953 -14.5715 -14.5692 4.1269 4.2304 8.8192 8.8399 10.0308 10.0448 10.5644 10.6860 11.3921 11.4461 11.5547 11.5934 11.6478 11.7170 12.1545 12.2481 12.4029 12.4058 13.5218 13.5711 15.1706 15.4053 16.0520 16.0755 16.3782 16.4644 k = 0.5000-0.1443 0.5103 ( 2834 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8499 -34.8482 -30.9595 -30.9588 -30.9559 -30.9535 -22.1951 -22.1946 -14.6024 -14.5945 -14.5721 -14.5695 4.1267 4.2373 8.8422 8.8650 9.9793 9.9942 10.5044 10.6391 11.4150 11.4640 11.5678 11.5912 11.6496 11.7127 12.1545 12.2537 12.4122 12.4203 13.6010 13.6487 15.1266 15.3697 16.0490 16.0696 16.3799 16.4663 k = 0.5000-0.1332 0.5182 ( 2838 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8499 -34.8482 -30.9596 -30.9588 -30.9559 -30.9535 -22.1952 -22.1946 -14.6023 -14.5938 -14.5727 -14.5698 4.1266 4.2440 8.8669 8.8918 9.9276 9.9430 10.4473 10.5941 11.4364 11.4784 11.5805 11.5906 11.6550 11.7093 12.1536 12.2576 12.4176 12.4355 13.6797 13.7248 15.0850 15.3354 16.0471 16.0663 16.3810 16.4683 k = 0.5000-0.1221 0.5260 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8500 -34.8481 -30.9596 -30.9588 -30.9560 -30.9534 -22.1952 -22.1946 -14.6021 -14.5929 -14.5733 -14.5701 4.1267 4.2505 8.8932 8.9203 9.8758 9.8915 10.3937 10.5513 11.4553 11.4898 11.5906 11.5924 11.6655 11.7067 12.1516 12.2598 12.4224 12.4489 13.7571 13.7986 15.0461 15.3029 16.0462 16.0650 16.3816 16.4704 k = 0.5000-0.1110 0.5339 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8500 -34.8481 -30.9596 -30.9588 -30.9560 -30.9533 -22.1952 -22.1946 -14.6020 -14.5921 -14.5740 -14.5704 4.1270 4.2567 8.9210 8.9506 9.8243 9.8397 10.3438 10.5113 11.4709 11.4988 11.5968 11.5974 11.6816 11.7046 12.1484 12.2602 12.4264 12.4606 13.8320 13.8692 15.0102 15.2727 16.0461 16.0651 16.3816 16.4723 k = 0.5000-0.0999 0.5417 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8500 -34.8480 -30.9596 -30.9588 -30.9560 -30.9532 -22.1952 -22.1945 -14.6018 -14.5913 -14.5747 -14.5706 4.1273 4.2625 8.9502 8.9826 9.7731 9.7881 10.2979 10.4741 11.4825 11.5060 11.5996 11.6059 11.7016 11.7030 12.1437 12.2590 12.4299 12.4707 13.9033 13.9357 14.9778 15.2451 16.0464 16.0663 16.3811 16.4741 k = 0.5000-0.0888 0.5496 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8501 -34.8480 -30.9596 -30.9588 -30.9560 -30.9532 -22.1952 -22.1945 -14.6017 -14.5904 -14.5754 -14.5709 4.1277 4.2678 8.9808 9.0161 9.7227 9.7366 10.2562 10.4403 11.4903 11.5121 11.6005 11.6176 11.7018 11.7240 12.1379 12.2564 12.4330 12.4795 13.9701 13.9973 14.9489 15.2204 16.0470 16.0683 16.3802 16.4758 k = 0.5000-0.0777 0.5574 ( 2818 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8501 -34.8479 -30.9597 -30.9588 -30.9560 -30.9531 -22.1952 -22.1945 -14.6015 -14.5896 -14.5761 -14.5711 4.1282 4.2727 9.0125 9.0512 9.6733 9.6854 10.2190 10.4099 11.4951 11.5171 11.6003 11.6313 11.7012 11.7472 12.1307 12.2525 12.4356 12.4869 14.0316 14.0534 14.9237 15.1986 16.0479 16.0707 16.3788 16.4772 k = 0.5000-0.0666 0.5653 ( 2818 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8501 -34.8479 -30.9597 -30.9589 -30.9560 -30.9531 -22.1952 -22.1945 -14.6014 -14.5888 -14.5769 -14.5713 4.1286 4.2771 9.0451 9.0878 9.6252 9.6348 10.1864 10.3832 11.4976 11.5213 11.5995 11.6456 11.7011 11.7702 12.1225 12.2478 12.4378 12.4933 14.0868 14.1031 14.9022 15.1799 16.0489 16.0734 16.3772 16.4784 k = 0.5000-0.0555 0.5731 ( 2820 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8501 -34.8479 -30.9597 -30.9589 -30.9560 -30.9530 -22.1952 -22.1945 -14.6013 -14.5879 -14.5776 -14.5715 4.1290 4.2809 9.0782 9.1257 9.5789 9.5849 10.1585 10.3603 11.4988 11.5248 11.5985 11.6589 11.7020 11.7921 12.1136 12.2426 12.4396 12.4985 14.1350 14.1459 14.8845 15.1641 16.0498 16.0761 16.3754 16.4793 k = 0.5000-0.0444 0.5810 ( 2814 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8502 -34.8479 -30.9597 -30.9589 -30.9560 -30.9530 -22.1952 -22.1945 -14.6012 -14.5871 -14.5783 -14.5717 4.1294 4.2840 9.1111 9.1649 9.5351 9.5359 10.1355 10.3413 11.4993 11.5276 11.5974 11.6699 11.7041 11.8122 12.1045 12.2374 12.4411 12.5028 14.1755 14.1815 14.8704 15.1513 16.0507 16.0787 16.3736 16.4801 k = 0.5000-0.0333 0.5888 ( 2810 PWs) bands (ev): -64.2292 -64.2292 -47.7730 -47.7729 -34.8502 -34.8478 -30.9597 -30.9589 -30.9560 -30.9530 -22.1952 -22.1945 -14.6011 -14.5864 -14.5790 -14.5718 4.1297 4.2865 9.1426 9.2049 9.4881 9.4950 10.1176 10.3266 11.4993 11.5299 11.5965 11.6774 11.7077 11.8296 12.0958 12.2326 12.4422 12.5060 14.2077 14.2094 14.8597 15.1415 16.0514 16.0809 16.3720 16.4806 k = 0.5000-0.0222 0.5967 ( 2814 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8502 -34.8478 -30.9597 -30.9589 -30.9560 -30.9529 -22.1952 -22.1945 -14.6010 -14.5858 -14.5796 -14.5719 4.1300 4.2883 9.1707 9.2451 9.4423 9.4609 10.1047 10.3159 11.4992 11.5315 11.5956 11.6816 11.7120 11.8431 12.0885 12.2288 12.4430 12.5083 14.2295 14.2311 14.8523 15.1345 16.0520 16.0825 16.3707 16.4810 k = 0.5000-0.0111 0.6045 ( 2824 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8502 -34.8478 -30.9597 -30.9589 -30.9560 -30.9529 -22.1952 -22.1945 -14.6010 -14.5853 -14.5801 -14.5720 4.1301 4.2894 9.1913 9.2829 9.4012 9.4366 10.0969 10.3095 11.4990 11.5324 11.5951 11.6835 11.7153 11.8518 12.0835 12.2263 12.4433 12.5096 14.2415 14.2452 14.8479 15.1303 16.0523 16.0836 16.3698 16.4812 k = 0.5000 0.0000 0.6124 ( 2832 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8502 -34.8478 -30.9597 -30.9589 -30.9560 -30.9529 -22.1952 -22.1945 -14.6010 -14.5852 -14.5803 -14.5720 4.1302 4.2898 9.1991 9.3039 9.3791 9.4275 10.0943 10.3073 11.4990 11.5327 11.5949 11.6840 11.7165 11.8548 12.0817 12.2254 12.4435 12.5100 14.2455 14.2499 14.8465 15.1289 16.0524 16.0839 16.3695 16.4812 k = 0.5000 0.0000 0.6124 ( 2832 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8502 -34.8478 -30.9597 -30.9589 -30.9560 -30.9529 -22.1952 -22.1945 -14.6010 -14.5852 -14.5803 -14.5720 4.1302 4.2898 9.1991 9.3039 9.3791 9.4275 10.0943 10.3073 11.4990 11.5327 11.5949 11.6840 11.7165 11.8548 12.0817 12.2254 12.4435 12.5100 14.2455 14.2499 14.8465 15.1289 16.0524 16.0839 16.3695 16.4812 k = 0.4931 0.0120 0.6124 ( 2823 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8502 -34.8478 -30.9597 -30.9589 -30.9560 -30.9529 -22.1952 -22.1945 -14.6010 -14.5852 -14.5801 -14.5720 4.1299 4.2893 9.1938 9.2923 9.3897 9.4320 10.0955 10.3080 11.4981 11.5291 11.5929 11.6863 11.7165 11.8600 12.0822 12.2236 12.4473 12.5119 14.2413 14.2507 14.8474 15.1296 16.0375 16.0880 16.3713 16.4924 k = 0.4861 0.0241 0.6124 ( 2815 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8502 -34.8478 -30.9597 -30.9589 -30.9560 -30.9529 -22.1952 -22.1945 -14.6010 -14.5855 -14.5798 -14.5719 4.1293 4.2881 9.1799 9.2690 9.4096 9.4440 10.0991 10.3096 11.4958 11.5186 11.5885 11.6881 11.7203 11.8734 12.0839 12.2177 12.4595 12.5181 14.2319 14.2497 14.8500 15.1316 16.0053 16.0868 16.3802 16.5229 k = 0.4792 0.0361 0.6124 ( 2811 PWs) bands (ev): -64.2292 -64.2292 -47.7730 -47.7729 -34.8502 -34.8478 -30.9597 -30.9589 -30.9560 -30.9529 -22.1952 -22.1944 -14.6010 -14.5858 -14.5794 -14.5718 4.1284 4.2862 9.1607 9.2431 9.4291 9.4607 10.1048 10.3120 11.4922 11.5030 11.5830 11.6848 11.7310 11.8913 12.0870 12.2077 12.4812 12.5298 14.2184 14.2453 14.8543 15.1347 15.9655 16.0717 16.4012 16.5658 k = 0.4722 0.0481 0.6124 ( 2813 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8502 -34.8478 -30.9597 -30.9588 -30.9560 -30.9530 -22.1952 -22.1944 -14.6011 -14.5862 -14.5789 -14.5717 4.1272 4.2837 9.1388 9.2172 9.4458 9.4799 10.1125 10.3147 11.4824 11.4900 11.5766 11.6798 11.7443 11.9098 12.0916 12.1941 12.5126 12.5482 14.2010 14.2372 14.8603 15.1390 15.9215 16.0443 16.4343 16.6163 k = 0.4653 0.0601 0.6124 ( 2812 PWs) bands (ev): -64.2293 -64.2292 -47.7730 -47.7729 -34.8502 -34.8479 -30.9597 -30.9588 -30.9560 -30.9530 -22.1952 -22.1944 -14.6011 -14.5866 -14.5784 -14.5716 4.1258 4.2808 9.1159 9.1921 9.4600 9.4993 10.1218 10.3175 11.4631 11.4856 11.5691 11.6758 11.7563 11.9264 12.0979 12.1780 12.5532 12.5744 14.1797 14.2249 14.8678 15.1442 15.8750 16.0084 16.4763 16.6714 k = 0.4583 0.0722 0.6124 ( 2814 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8479 -30.9598 -30.9587 -30.9560 -30.9530 -22.1951 -22.1944 -14.6012 -14.5871 -14.5778 -14.5714 4.1243 4.2776 9.0929 9.1682 9.4721 9.5176 10.1324 10.3199 11.4434 11.4823 11.5608 11.6734 11.7652 11.9395 12.1053 12.1603 12.6023 12.6094 14.1543 14.2082 14.8770 15.1502 15.8275 15.9676 16.5241 16.7292 k = 0.4514 0.0842 0.6124 ( 2808 PWs) bands (ev): -64.2292 -64.2292 -47.7730 -47.7729 -34.8501 -34.8479 -30.9598 -30.9587 -30.9560 -30.9531 -22.1951 -22.1944 -14.6013 -14.5875 -14.5772 -14.5713 4.1228 4.2742 9.0706 9.1457 9.4825 9.5345 10.1440 10.3218 11.4244 11.4803 11.5522 11.6725 11.7700 11.9489 12.1130 12.1423 12.6525 12.6596 14.1248 14.1866 14.8879 15.1567 15.7800 15.9243 16.5759 16.7885 k = 0.4444 0.0962 0.6124 ( 2816 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8479 -30.9598 -30.9586 -30.9560 -30.9531 -22.1951 -22.1944 -14.6014 -14.5879 -14.5766 -14.5711 4.1213 4.2707 9.0493 9.1247 9.4915 9.5495 10.1561 10.3227 11.4069 11.4799 11.5435 11.6728 11.7704 11.9549 12.1164 12.1282 12.7047 12.7232 14.0908 14.1598 14.9003 15.1634 15.7335 15.8800 16.6300 16.8484 k = 0.4375 0.1083 0.6124 ( 2817 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8479 -30.9598 -30.9586 -30.9560 -30.9531 -22.1951 -22.1944 -14.6015 -14.5883 -14.5760 -14.5710 4.1199 4.2671 9.0294 9.1054 9.4993 9.5629 10.1684 10.3225 11.3912 11.4818 11.5350 11.6740 11.7663 11.9581 12.1031 12.1307 12.7644 12.7927 14.0525 14.1276 14.9142 15.1699 15.6889 15.8359 16.6856 16.9081 k = 0.4306 0.1203 0.6124 ( 2821 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8479 -30.9598 -30.9585 -30.9560 -30.9532 -22.1951 -22.1944 -14.6016 -14.5887 -14.5754 -14.5709 4.1185 4.2636 9.0111 9.0878 9.5060 9.5746 10.1807 10.3211 11.3776 11.4860 11.5268 11.6758 11.7583 11.9589 12.0874 12.1360 12.8305 12.8667 14.0096 14.0901 14.9296 15.1755 15.6474 15.7928 16.7419 16.9665 k = 0.4236 0.1323 0.6124 ( 2823 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9598 -30.9585 -30.9560 -30.9532 -22.1951 -22.1944 -14.6017 -14.5890 -14.5749 -14.5708 4.1172 4.2604 8.9947 9.0721 9.5118 9.5848 10.1926 10.3184 11.3662 11.4928 11.5189 11.6777 11.7469 11.9576 12.0733 12.1406 12.9018 12.9442 13.9623 14.0472 14.9463 15.1797 15.6099 15.7514 16.7982 17.0228 k = 0.4167 0.1443 0.6124 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9598 -30.9584 -30.9560 -30.9533 -22.1951 -22.1944 -14.6018 -14.5893 -14.5744 -14.5708 4.1161 4.2573 8.9802 9.0583 9.5168 9.5934 10.2042 10.3145 11.3571 11.5020 11.5117 11.6794 11.7330 11.9542 12.0619 12.1442 12.9767 13.0238 13.9106 13.9993 14.9641 15.1815 15.5778 15.7124 16.8540 17.0755 k = 0.4097 0.1564 0.6124 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9599 -30.9584 -30.9560 -30.9533 -22.1951 -22.1944 -14.6019 -14.5895 -14.5739 -14.5708 4.1151 4.2546 8.9677 9.0465 9.5210 9.6007 10.2152 10.3095 11.3501 11.5042 11.5146 11.6799 11.7181 11.9492 12.0532 12.1469 13.0540 13.1043 13.8549 13.9470 14.9828 15.1802 15.5522 15.6761 16.9085 17.1228 k = 0.4028 0.1684 0.6124 ( 2832 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9599 -30.9584 -30.9560 -30.9533 -22.1951 -22.1944 -14.6020 -14.5897 -14.5735 -14.5708 4.1143 4.2523 8.9574 9.0367 9.5244 9.6066 10.2256 10.3037 11.3451 11.4984 11.5286 11.6761 11.7055 11.9433 12.0470 12.1489 13.1319 13.1839 13.7959 13.8912 15.0020 15.1753 15.5340 15.6430 16.9607 17.1621 k = 0.3958 0.1804 0.6124 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9599 -30.9583 -30.9560 -30.9534 -22.1951 -22.1944 -14.6020 -14.5899 -14.5732 -14.5708 4.1137 4.2505 8.9493 9.0291 9.5271 9.6112 10.2353 10.2972 11.3416 11.4934 11.5447 11.6642 11.6997 11.9375 12.0429 12.1503 13.2083 13.2601 13.7350 13.8340 15.0211 15.1670 15.5234 15.6138 17.0093 17.1903 k = 0.3889 0.1925 0.6124 ( 2834 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9599 -30.9583 -30.9560 -30.9534 -22.1951 -22.1944 -14.6021 -14.5900 -14.5729 -14.5708 4.1132 4.2492 8.9435 9.0236 9.5290 9.6144 10.2440 10.2906 11.3395 11.4895 11.5622 11.6466 11.6986 11.9325 12.0404 12.1512 13.2797 13.3286 13.6751 13.7792 15.0388 15.1565 15.5200 15.5890 17.0517 17.2053 k = 0.3819 0.2045 0.6124 ( 2838 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9599 -30.9583 -30.9560 -30.9534 -22.1951 -22.1944 -14.6021 -14.5901 -14.5727 -14.5709 4.1130 4.2483 8.9400 9.0203 9.5302 9.6163 10.2509 10.2849 11.3384 11.4871 11.5800 11.6279 11.6988 11.9293 12.0391 12.1517 13.3378 13.3809 13.6242 13.7352 15.0526 15.1467 15.5218 15.5706 17.0832 17.2087 k = 0.3750 0.2165 0.6124 ( 2838 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9599 -30.9583 -30.9559 -30.9534 -22.1951 -22.1944 -14.6021 -14.5901 -14.5727 -14.5709 4.1129 4.2481 8.9388 9.0192 9.5305 9.6170 10.2538 10.2824 11.3380 11.4863 11.5915 11.6161 11.6989 11.9282 12.0387 12.1519 13.3629 13.4018 13.6015 13.7170 15.0582 15.1424 15.5239 15.5630 17.0955 17.2080 k = 0.3750 0.2165 0.6124 ( 2838 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9599 -30.9583 -30.9559 -30.9534 -22.1951 -22.1944 -14.6021 -14.5901 -14.5727 -14.5709 4.1129 4.2481 8.9388 9.0192 9.5305 9.6170 10.2538 10.2824 11.3380 11.4863 11.5915 11.6161 11.6989 11.9282 12.0387 12.1519 13.3629 13.4018 13.6015 13.7170 15.0582 15.1424 15.5239 15.5630 17.0955 17.2080 k = 0.3681 0.2125 0.6010 ( 2838 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9599 -30.9582 -30.9560 -30.9534 -22.1950 -22.1944 -14.6020 -14.5893 -14.5730 -14.5708 4.1090 4.2474 8.9519 9.0492 9.4813 9.5555 10.2019 10.2292 11.3488 11.4889 11.5827 11.6217 11.7005 11.9284 12.0597 12.1967 13.4442 13.4831 13.6493 13.7702 15.0197 15.1037 15.5005 15.5404 17.1703 17.2694 k = 0.3611 0.2085 0.5897 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9599 -30.9582 -30.9559 -30.9534 -22.1950 -22.1943 -14.6018 -14.5885 -14.5733 -14.5707 4.1042 4.2452 8.9586 9.0766 9.4422 9.4994 10.1520 10.1778 11.3599 11.4911 11.5752 11.6257 11.7015 11.9227 12.0869 12.2396 13.5247 13.5638 13.6996 13.8252 14.9800 15.0649 15.4810 15.5226 17.2473 17.3276 k = 0.3542 0.2045 0.5784 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9599 -30.9581 -30.9559 -30.9534 -22.1949 -22.1943 -14.6016 -14.5877 -14.5736 -14.5705 4.0983 4.2413 8.9569 9.0984 9.4156 9.4522 10.1040 10.1284 11.3709 11.4927 11.5685 11.6285 11.7017 11.9136 12.1166 12.2798 13.6041 13.6435 13.7529 13.8825 14.9393 15.0255 15.4658 15.5096 17.3264 17.3798 k = 0.3472 0.2005 0.5670 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8479 -30.9599 -30.9581 -30.9559 -30.9534 -22.1949 -22.1942 -14.6015 -14.5870 -14.5738 -14.5703 4.0912 4.2354 8.9457 9.1096 9.4030 9.4193 10.0582 10.0809 11.3819 11.4939 11.5624 11.6303 11.7011 11.9025 12.1464 12.3165 13.6824 13.7222 13.8102 13.9427 14.8974 14.9852 15.4554 15.5015 17.4074 17.4233 k = 0.3403 0.1965 0.5557 ( 2834 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8479 -30.9599 -30.9580 -30.9559 -30.9534 -22.1948 -22.1941 -14.6012 -14.5864 -14.5738 -14.5700 4.0827 4.2274 8.9257 9.1052 9.4039 9.4061 10.0147 10.0356 11.3927 11.4947 11.5567 11.6313 11.6999 11.8900 12.1749 12.3491 13.7594 13.7996 13.8721 14.0062 14.8544 14.9437 15.4499 15.4981 17.4568 17.4898 k = 0.3333 0.1925 0.5443 ( 2838 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8479 -30.9599 -30.9580 -30.9559 -30.9534 -22.1948 -22.1941 -14.6010 -14.5859 -14.5738 -14.5697 4.0727 4.2172 8.8992 9.0845 9.4138 9.4163 9.9737 9.9924 11.4030 11.4949 11.5513 11.6316 11.6980 11.8765 12.2011 12.3771 13.8352 13.8758 13.9389 14.0735 14.8103 14.9007 15.4496 15.4996 17.4811 17.5730 k = 0.3264 0.1884 0.5330 ( 2834 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8479 -30.9599 -30.9579 -30.9559 -30.9535 -22.1947 -22.1940 -14.6007 -14.5854 -14.5736 -14.5693 4.0610 4.2046 8.8691 9.0526 9.4375 9.4376 9.9355 9.9515 11.4129 11.4946 11.5459 11.6314 11.6954 11.8622 12.2244 12.4000 13.9094 13.9512 14.0105 14.1450 14.7654 14.8564 15.4545 15.5056 17.4990 17.6554 k = 0.3194 0.1844 0.5217 ( 2814 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8479 -30.9598 -30.9578 -30.9559 -30.9535 -22.1946 -22.1939 -14.6003 -14.5849 -14.5733 -14.5688 4.0475 4.1894 8.8381 9.0154 9.4648 9.4718 9.9003 9.9131 11.4222 11.4936 11.5405 11.6309 11.6924 11.8471 12.2440 12.4175 13.9818 14.0263 14.0866 14.2206 14.7205 14.8108 15.4646 15.5159 17.5132 17.7332 k = 0.3125 0.1804 0.5103 ( 2810 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8479 -30.9598 -30.9577 -30.9559 -30.9535 -22.1945 -22.1938 -14.5999 -14.5846 -14.5728 -14.5684 4.0321 4.1717 8.8079 8.9771 9.4961 9.5126 9.8687 9.8772 11.4306 11.4918 11.5349 11.6299 11.6887 11.8311 12.2596 12.4294 14.0515 14.1011 14.1665 14.2998 14.6771 14.7647 15.4798 15.5304 17.5258 17.7977 k = 0.3056 0.1764 0.4990 ( 2810 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9597 -30.9577 -30.9559 -30.9536 -22.1944 -22.1937 -14.5995 -14.5844 -14.5723 -14.5679 4.0146 4.1512 8.7801 8.9401 9.5292 9.5572 9.8415 9.8442 11.4382 11.4889 11.5292 11.6285 11.6844 11.8144 12.2710 12.4356 14.1173 14.1746 14.2494 14.3803 14.6391 14.7197 15.4997 15.5488 17.5387 17.8407 k = 0.2986 0.1724 0.4876 ( 2816 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9597 -30.9576 -30.9559 -30.9537 -22.1943 -22.1937 -14.5991 -14.5842 -14.5717 -14.5674 3.9950 4.1280 8.7558 8.9060 9.5619 9.6040 9.8147 9.8203 11.4449 11.4848 11.5235 11.6268 11.6797 11.7968 12.2780 12.4362 14.1762 14.2450 14.3333 14.4518 14.6199 14.6802 15.5240 15.5706 17.5531 17.8686 k = 0.2917 0.1684 0.4763 ( 2816 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9596 -30.9576 -30.9558 -30.9537 -22.1942 -22.1936 -14.5985 -14.5840 -14.5710 -14.5668 3.9731 4.1020 8.7355 8.8757 9.5907 9.6501 9.7908 9.8079 11.4507 11.4791 11.5181 11.6248 11.6746 11.7785 12.2806 12.4315 14.2220 14.3073 14.4115 14.4883 14.6519 14.6578 15.5523 15.5955 17.5702 17.8916 k = 0.2847 0.1644 0.4649 ( 2818 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9595 -30.9575 -30.9558 -30.9538 -22.1941 -22.1935 -14.5979 -14.5838 -14.5703 -14.5663 3.9490 4.0733 8.7199 8.8498 9.6113 9.6874 9.7800 9.8081 11.4555 11.4717 11.5131 11.6226 11.6693 11.7596 12.2790 12.4217 14.2431 14.3475 14.4731 14.5012 14.6772 14.7352 15.5841 15.6232 17.5908 17.9149 k = 0.2778 0.1604 0.4536 ( 2818 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8481 -30.9595 -30.9574 -30.9558 -30.9539 -22.1940 -22.1934 -14.5973 -14.5836 -14.5695 -14.5657 3.9226 4.0418 8.7093 8.8287 9.6205 9.6978 9.8004 9.8239 11.4595 11.4627 11.5084 11.6199 11.6637 11.7401 12.2733 12.4071 14.2314 14.3453 14.5279 14.5290 14.7491 14.8397 15.6189 15.6532 17.6156 17.9409 k = 0.2708 0.1564 0.4423 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8500 -34.8481 -30.9594 -30.9574 -30.9558 -30.9540 -22.1939 -22.1933 -14.5965 -14.5834 -14.5687 -14.5651 3.8939 4.0076 8.7038 8.8128 9.6198 9.6871 9.8458 9.8534 11.4519 11.4626 11.5039 11.6168 11.6579 11.7200 12.2638 12.3882 14.1935 14.3076 14.5754 14.5904 14.8518 14.9546 15.6563 15.6853 17.6454 17.9707 k = 0.2639 0.1524 0.4309 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8500 -34.8481 -30.9593 -30.9573 -30.9558 -30.9541 -22.1937 -22.1931 -14.5957 -14.5831 -14.5678 -14.5645 3.8629 3.9710 8.7037 8.8022 9.6134 9.6717 9.8924 9.8995 11.4397 11.4648 11.4995 11.6130 11.6522 11.6997 12.2508 12.3653 14.1405 14.2525 14.6325 14.6580 14.9697 15.0768 15.6957 15.7192 17.6807 18.0052 k = 0.2569 0.1483 0.4196 ( 2828 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8499 -34.8482 -30.9592 -30.9572 -30.9558 -30.9542 -22.1936 -22.1930 -14.5948 -14.5828 -14.5670 -14.5639 3.8298 3.9319 8.7090 8.7970 9.6048 9.6566 9.9370 9.9564 11.4262 11.4663 11.4951 11.6081 11.6465 11.6799 12.2347 12.3390 14.0789 14.1886 14.6949 14.7278 15.0972 15.2048 15.7369 15.7549 17.7220 18.0449 k = 0.2500 0.1443 0.4082 ( 2840 PWs) bands (ev): -64.2294 -64.2294 -47.7730 -47.7730 -34.8499 -34.8482 -30.9591 -30.9572 -30.9558 -30.9543 -22.1934 -22.1929 -14.5939 -14.5825 -14.5661 -14.5633 3.7945 3.8905 8.7196 8.7974 9.5959 9.6432 9.9850 10.0150 11.4115 11.4672 11.4905 11.6009 11.6410 11.6612 12.2158 12.3095 14.0117 14.1194 14.7599 14.7984 15.2316 15.3371 15.7794 15.7926 17.7695 18.0902 k = 0.2431 0.1403 0.3969 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8499 -34.8483 -30.9589 -30.9571 -30.9558 -30.9543 -22.1933 -22.1927 -14.5928 -14.5820 -14.5653 -14.5626 3.7573 3.8471 8.7356 8.8033 9.5880 9.6319 10.0353 10.0747 11.3959 11.4675 11.4857 11.5902 11.6358 11.6456 12.1946 12.2775 13.9406 14.0465 14.8266 14.8695 15.3717 15.4720 15.8233 15.8338 17.8235 18.1414 k = 0.2361 0.1363 0.3856 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7731 -47.7730 -34.8498 -34.8483 -30.9588 -30.9570 -30.9558 -30.9544 -22.1931 -22.1926 -14.5917 -14.5815 -14.5644 -14.5620 3.7182 3.8018 8.7569 8.8146 9.5816 9.6230 10.0868 10.1351 11.3795 11.4672 11.4806 11.5748 11.6309 11.6339 12.1714 12.2431 13.8663 13.9706 14.8941 14.9407 15.5159 15.6052 15.8689 15.8818 17.8841 18.1985 k = 0.2292 0.1323 0.3742 ( 2830 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7730 -34.8498 -34.8484 -30.9587 -30.9570 -30.9558 -30.9545 -22.1929 -22.1924 -14.5906 -14.5809 -14.5636 -14.5614 3.6773 3.7548 8.7832 8.8313 9.5772 9.6165 10.1391 10.1957 11.3623 11.4662 11.4752 11.5553 11.6257 11.6262 12.1468 12.2071 13.7894 13.8924 14.9623 15.0119 15.6615 15.7266 15.9181 15.9462 17.9514 18.2610 k = 0.2222 0.1283 0.3629 ( 2814 PWs) bands (ev): -64.2293 -64.2293 -47.7731 -47.7730 -34.8498 -34.8484 -30.9585 -30.9569 -30.9558 -30.9546 -22.1927 -22.1923 -14.5893 -14.5802 -14.5628 -14.5607 3.6350 3.7064 8.8145 8.8533 9.5749 9.6125 10.1918 10.2564 11.3447 11.4644 11.4695 11.5337 11.6199 11.6221 12.1211 12.1696 13.7104 13.8122 15.0309 15.0831 15.8009 15.8200 15.9780 16.0429 18.0253 18.3279 k = 0.2153 0.1243 0.3515 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7731 -47.7730 -34.8497 -34.8485 -30.9584 -30.9568 -30.9558 -30.9547 -22.1925 -22.1921 -14.5880 -14.5795 -14.5620 -14.5602 3.5913 3.6568 8.8504 8.8803 9.5748 9.6111 10.2445 10.3169 11.3266 11.4606 11.4634 11.5121 11.6149 11.6182 12.0946 12.1311 13.6294 13.7302 15.0999 15.1543 15.8828 15.9121 16.0699 16.1738 18.1054 18.3920 k = 0.2083 0.1203 0.3402 ( 2822 PWs) bands (ev): -64.2294 -64.2293 -47.7731 -47.7730 -34.8497 -34.8485 -30.9583 -30.9568 -30.9558 -30.9548 -22.1923 -22.1919 -14.5866 -14.5788 -14.5612 -14.5596 3.5464 3.6063 8.8908 8.9123 9.5771 9.6124 10.2969 10.3768 11.3084 11.4524 11.4569 11.4938 11.6105 11.6147 12.0679 12.0920 13.5468 13.6469 15.1692 15.2256 15.9290 15.9822 16.2064 16.3245 18.1912 18.3952 k = 0.2014 0.1163 0.3289 ( 2818 PWs) bands (ev): -64.2293 -64.2293 -47.7731 -47.7731 -34.8497 -34.8486 -30.9581 -30.9567 -30.9557 -30.9549 -22.1921 -22.1918 -14.5852 -14.5779 -14.5605 -14.5590 3.5006 3.5551 8.9354 8.9490 9.5819 9.6162 10.3486 10.4359 11.2904 11.4363 11.4501 11.4828 11.6063 11.6117 12.0413 12.0528 13.4628 13.5624 15.2388 15.2968 15.9677 16.0324 16.3658 16.4854 18.2724 18.2895 k = 0.1944 0.1123 0.3175 ( 2822 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8496 -34.8486 -30.9580 -30.9566 -30.9557 -30.9550 -22.1919 -22.1916 -14.5837 -14.5770 -14.5598 -14.5585 3.4541 3.5033 8.9840 8.9901 9.5891 9.6227 10.3994 10.4936 11.2728 11.4140 11.4427 11.4774 11.6021 11.6090 12.0137 12.0153 13.3777 13.4769 15.3086 15.3680 16.0027 16.0755 16.5349 16.6518 18.1622 18.1793 k = 0.1875 0.1083 0.3062 ( 2822 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8496 -34.8487 -30.9578 -30.9566 -30.9557 -30.9550 -22.1917 -22.1914 -14.5822 -14.5761 -14.5591 -14.5579 3.4070 3.4514 9.0354 9.0363 9.5989 9.6319 10.4490 10.5494 11.2562 11.3894 11.4349 11.4743 11.5980 11.6066 11.9753 11.9902 13.2916 13.3908 15.3785 15.4392 16.0357 16.1153 16.7096 16.8210 18.0309 18.0570 k = 0.1806 0.1042 0.2948 ( 2826 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8496 -34.8487 -30.9577 -30.9565 -30.9557 -30.9551 -22.1915 -22.1912 -14.5807 -14.5751 -14.5585 -14.5574 3.3597 3.3994 9.0845 9.0918 9.6113 9.6439 10.4968 10.6027 11.2411 11.3643 11.4263 11.4717 11.5939 11.6045 11.9379 11.9664 13.2049 13.3043 15.4487 15.5104 16.0674 16.1531 16.8880 16.9899 17.8985 17.9374 k = 0.1736 0.1002 0.2835 ( 2826 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8496 -34.8488 -30.9576 -30.9565 -30.9557 -30.9552 -22.1913 -22.1911 -14.5791 -14.5740 -14.5578 -14.5569 3.3123 3.3476 9.1373 9.1504 9.6263 9.6585 10.5426 10.6527 11.2284 11.3396 11.4169 11.4688 11.5901 11.6026 11.9021 11.9443 13.1177 13.2177 15.5190 15.5815 16.0981 16.1894 17.0689 17.1524 17.7660 17.8264 k = 0.1667 0.0962 0.2722 ( 2830 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8495 -34.8488 -30.9574 -30.9564 -30.9557 -30.9553 -22.1911 -22.1909 -14.5775 -14.5729 -14.5573 -14.5565 3.2650 3.2963 9.1932 9.2116 9.6439 9.6759 10.5858 10.6981 11.2189 11.3162 11.4063 11.4648 11.5867 11.6009 11.8681 11.9240 13.0303 13.1311 15.5893 15.6524 16.1280 16.2244 17.2499 17.2901 17.6355 17.7418 k = 0.1597 0.0922 0.2608 ( 2826 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7731 -34.8495 -34.8489 -30.9573 -30.9564 -30.9557 -30.9553 -22.1909 -22.1907 -14.5759 -14.5717 -14.5567 -14.5560 3.2180 3.2456 9.2521 9.2750 9.6643 9.6961 10.6258 10.7379 11.2141 11.2948 11.3945 11.4594 11.5841 11.5993 11.8367 11.9060 12.9431 13.0450 15.6597 15.7232 16.1571 16.2581 17.3492 17.4090 17.5288 17.7373 k = 0.1528 0.0882 0.2495 ( 2826 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7731 -34.8495 -34.8489 -30.9572 -30.9563 -30.9557 -30.9554 -22.1907 -22.1905 -14.5742 -14.5705 -14.5562 -14.5556 3.1716 3.1957 9.3133 9.3402 9.6874 9.7192 10.6619 10.7704 11.2152 11.2760 11.3810 11.4523 11.5823 11.5974 11.8082 11.8903 12.8562 12.9596 15.7301 15.7939 16.1853 16.2905 17.2993 17.3500 17.6418 17.8423 k = 0.1458 0.0842 0.2381 ( 2822 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8495 -34.8489 -30.9570 -30.9563 -30.9557 -30.9554 -22.1905 -22.1903 -14.5726 -14.5693 -14.5557 -14.5552 3.1259 3.1469 9.3766 9.4067 9.7135 9.7452 10.6934 10.7946 11.2235 11.2607 11.3658 11.4435 11.5812 11.5949 11.7831 11.8770 12.7700 12.8754 15.8005 15.8643 16.2122 16.3212 17.2008 17.2236 17.8236 17.9961 k = 0.1389 0.0802 0.2268 ( 2822 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8494 -34.8490 -30.9569 -30.9562 -30.9557 -30.9555 -22.1903 -22.1901 -14.5709 -14.5680 -14.5552 -14.5548 3.0811 3.0992 9.4413 9.4740 9.7426 9.7742 10.7195 10.8099 11.2392 11.2495 11.3488 11.4334 11.5805 11.5913 11.7622 11.8662 12.6850 12.7925 15.8706 15.9343 16.2369 16.3494 17.0888 17.0957 18.0081 18.1631 k = 0.1319 0.0762 0.2155 ( 2816 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8494 -34.8490 -30.9568 -30.9562 -30.9557 -30.9555 -22.1901 -22.1899 -14.5693 -14.5668 -14.5547 -14.5544 3.0374 3.0529 9.5071 9.5413 9.7750 9.8064 10.7394 10.8167 11.2426 11.2614 11.3304 11.4228 11.5797 11.5860 11.7461 11.8579 12.6015 12.7116 15.9405 16.0038 16.2580 16.3733 16.9713 16.9749 18.1911 18.3314 k = 0.1250 0.0722 0.2041 ( 2818 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8494 -34.8491 -30.9567 -30.9562 -30.9557 -30.9556 -22.1899 -22.1898 -14.5677 -14.5655 -14.5543 -14.5541 2.9950 3.0082 9.5731 9.6080 9.8109 9.8419 10.7527 10.8165 11.2396 11.2851 11.3141 11.4131 11.5781 11.5782 11.7351 11.8520 12.5201 12.6331 16.0099 16.0725 16.2725 16.3892 16.8549 16.8655 18.3702 18.4953 k = 0.1181 0.0682 0.1928 ( 2814 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8494 -34.8491 -30.9566 -30.9561 -30.9557 -30.9556 -22.1897 -22.1896 -14.5661 -14.5643 -14.5539 -14.5538 2.9540 2.9650 9.6390 9.6733 9.8507 9.8809 10.7596 10.8108 11.2387 11.2796 11.3289 11.4065 11.5677 11.5748 11.7295 11.8485 12.4415 12.5575 16.0787 16.1404 16.2751 16.3887 16.7556 16.7675 18.5425 18.6500 k = 0.1111 0.0642 0.1814 ( 2810 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8494 -34.8491 -30.9565 -30.9561 -30.9557 -30.9556 -22.1895 -22.1894 -14.5646 -14.5630 -14.5536 -14.5534 2.9145 2.9237 9.7039 9.7362 9.8949 9.9235 10.7607 10.8013 11.2370 11.2566 11.3608 11.4058 11.5551 11.5688 11.7287 11.8471 12.3665 12.4854 16.1467 16.2067 16.2571 16.3574 16.6886 16.6906 18.7044 18.7909 k = 0.1042 0.0601 0.1701 ( 2810 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8494 -34.8492 -30.9564 -30.9560 -30.9557 -30.9556 -22.1893 -22.1893 -14.5631 -14.5618 -14.5533 -14.5532 2.8767 2.8843 9.7673 9.7961 9.9434 9.9699 10.7569 10.7892 11.2308 11.2315 11.3920 11.4134 11.5423 11.5592 11.7323 11.8478 12.2961 12.4175 16.2034 16.2205 16.2600 16.2988 16.6439 16.6618 18.8512 18.9132 k = 0.0972 0.0561 0.1588 ( 2804 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8494 -34.8492 -30.9563 -30.9560 -30.9557 -30.9557 -22.1892 -22.1891 -14.5617 -14.5606 -14.5529 -14.5529 2.8408 2.8469 9.8288 9.8530 9.9960 10.0199 10.7494 10.7755 11.2036 11.2205 11.4144 11.4300 11.5352 11.5451 11.7397 11.8503 12.2313 12.3544 16.1331 16.1831 16.2812 16.3421 16.6270 16.6634 18.9777 19.0135 k = 0.0903 0.0521 0.1474 ( 2798 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8493 -34.8492 -30.9562 -30.9560 -30.9557 -30.9557 -22.1890 -22.1889 -14.5604 -14.5595 -14.5526 -14.5526 2.8068 2.8117 9.8883 9.9073 10.0517 10.0732 10.7394 10.7612 11.1754 11.2044 11.4175 11.4530 11.5264 11.5430 11.7502 11.8544 12.1735 12.2966 16.0392 16.0740 16.3458 16.4040 16.6307 16.6789 19.0792 19.0905 k = 0.0833 0.0481 0.1361 ( 2794 PWs) bands (ev): -64.2294 -64.2294 -47.7733 -47.7732 -34.8493 -34.8492 -30.9561 -30.9559 -30.9557 -30.9557 -22.1888 -22.1888 -14.5591 -14.5583 -14.5524 -14.5524 2.7749 2.7787 9.9459 9.9597 10.1093 10.1291 10.7278 10.7468 11.1464 11.1843 11.3997 11.4719 11.5110 11.5661 11.7636 11.8597 12.1236 12.2448 15.9359 15.9604 16.4088 16.4646 16.6461 16.7004 19.1457 19.1538 k = 0.0764 0.0441 0.1247 ( 2789 PWs) bands (ev): -64.2294 -64.2294 -47.7733 -47.7733 -34.8493 -34.8492 -30.9561 -30.9559 -30.9557 -30.9557 -22.1887 -22.1886 -14.5578 -14.5573 -14.5522 -14.5521 2.7451 2.7481 10.0019 10.0112 10.1673 10.1866 10.7154 10.7328 11.1169 11.1614 11.3686 11.4527 11.5301 11.5957 11.7801 11.8661 12.0824 12.1991 15.8296 15.8470 16.4698 16.5231 16.6677 16.7244 19.1827 19.2034 k = 0.0694 0.0401 0.1134 ( 2789 PWs) bands (ev): -64.2294 -64.2294 -47.7733 -47.7733 -34.8493 -34.8493 -30.9560 -30.9559 -30.9557 -30.9557 -22.1885 -22.1885 -14.5567 -14.5563 -14.5520 -14.5519 2.7176 2.7198 10.0568 10.0623 10.2250 10.2448 10.7031 10.7197 11.0870 11.1363 11.3293 11.4131 11.5641 11.6258 11.7997 11.8735 12.0502 12.1596 15.7238 15.7362 16.5284 16.5789 16.6923 16.7489 19.2052 19.2318 k = 0.0625 0.0361 0.1021 ( 2789 PWs) bands (ev): -64.2294 -64.2294 -47.7733 -47.7733 -34.8493 -34.8493 -30.9559 -30.9559 -30.9557 -30.9557 -22.1884 -22.1884 -14.5557 -14.5554 -14.5518 -14.5518 2.6925 2.6941 10.1106 10.1132 10.2814 10.3029 10.6913 10.7078 11.0569 11.1097 11.2842 11.3652 11.5999 11.6532 11.8226 11.8820 12.0263 12.1262 15.6211 15.6298 16.5842 16.6315 16.7182 16.7729 19.2165 19.2436 k = 0.0556 0.0321 0.0907 ( 2777 PWs) bands (ev): -64.2294 -64.2294 -47.7733 -47.7733 -34.8493 -34.8493 -30.9559 -30.9558 -30.9557 -30.9557 -22.1883 -22.1883 -14.5547 -14.5545 -14.5516 -14.5516 2.6697 2.6709 10.1636 10.1639 10.3363 10.3601 10.6807 10.6977 11.0268 11.0819 11.2346 11.3115 11.6344 11.6767 11.8486 11.8923 12.0100 12.0985 15.5233 15.5293 16.6367 16.6804 16.7441 16.7956 19.2195 19.2432 k = 0.0486 0.0281 0.0794 ( 2777 PWs) bands (ev): -64.2294 -64.2294 -47.7733 -47.7733 -34.8493 -34.8493 -30.9558 -30.9558 -30.9557 -30.9557 -22.1882 -22.1882 -14.5539 -14.5537 -14.5515 -14.5514 2.6495 2.6503 10.2140 10.2153 10.3891 10.4158 10.6717 10.6898 10.9968 11.0531 11.1815 11.2536 11.6653 11.6958 11.8767 11.9047 11.9996 12.0759 15.4321 15.4362 16.6854 16.7251 16.7691 16.8164 19.2162 19.2345 k = 0.0417 0.0241 0.0680 ( 2771 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9558 -30.9558 -30.9557 -30.9557 -22.1881 -22.1881 -14.5531 -14.5530 -14.5514 -14.5513 2.6319 2.6323 10.2630 10.2652 10.4400 10.4697 10.6649 10.6845 10.9672 11.0236 11.1263 11.1931 11.6912 11.7109 11.9053 11.9198 11.9940 12.0576 15.3491 15.3516 16.7297 16.7649 16.7927 16.8348 19.2086 19.2212 k = 0.0347 0.0200 0.0567 ( 2767 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9558 -30.9558 -30.9557 -30.9557 -22.1880 -22.1880 -14.5525 -14.5524 -14.5513 -14.5512 2.6168 2.6171 10.3097 10.3121 10.4888 10.5213 10.6609 10.6824 10.9384 10.9937 11.0698 11.1312 11.7114 11.7226 11.9327 11.9373 11.9916 12.0430 15.2756 15.2771 16.7690 16.7993 16.8142 16.8504 19.1986 19.2063 k = 0.0278 0.0160 0.0454 ( 2755 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9557 -30.9557 -30.9557 -30.9557 -22.1879 -22.1879 -14.5519 -14.5519 -14.5511 -14.5511 2.6045 2.6046 10.3524 10.3544 10.5359 10.5705 10.6607 10.6839 10.9112 10.9637 11.0135 11.0694 11.7261 11.7316 11.9559 11.9574 11.9917 12.0313 15.2131 15.2139 16.8029 16.8279 16.8333 16.8628 19.1878 19.1918 k = 0.0208 0.0120 0.0340 ( 2749 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9557 -30.9557 -30.9557 -30.9557 -22.1879 -22.1879 -14.5515 -14.5515 -14.5511 -14.5510 2.5948 2.5948 10.3887 10.3900 10.5815 10.6166 10.6646 10.6887 10.8871 10.9343 10.9593 11.0091 11.7360 11.7382 11.9737 11.9778 11.9932 12.0221 15.1629 15.1632 16.8307 16.8493 16.8500 16.8718 19.1776 19.1793 k = 0.0139 0.0080 0.0227 ( 2741 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9557 -30.9557 -30.9557 -30.9557 -22.1878 -22.1878 -14.5512 -14.5512 -14.5510 -14.5510 2.5879 2.5879 10.4163 10.4168 10.6251 10.6575 10.6728 10.6948 10.8688 10.9068 10.9111 10.9524 11.7421 11.7428 11.9887 11.9928 11.9959 12.0147 15.1261 15.1262 16.8520 16.8621 16.8653 16.8771 19.1693 19.1698 k = 0.0069 0.0040 0.0113 ( 2741 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9557 -30.9557 -30.9557 -30.9557 -22.1878 -22.1878 -14.5510 -14.5510 -14.5510 -14.5510 2.5837 2.5837 10.4332 10.4333 10.6645 10.6833 10.6862 10.6981 10.8607 10.8773 10.8836 10.9032 11.7454 11.7455 11.9988 11.9995 12.0014 12.0086 15.1036 15.1036 16.8667 16.8710 16.8736 16.8784 19.1639 19.1640 k = 0.0000 0.0000 0.0000 ( 2741 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9557 -30.9557 -30.9557 -30.9557 -22.1878 -22.1878 -14.5510 -14.5510 -14.5510 -14.5510 2.5823 2.5823 10.4388 10.4388 10.6916 10.6916 10.6916 10.6916 10.8700 10.8700 10.8700 10.8700 11.7464 11.7464 12.0035 12.0035 12.0035 12.0035 15.0961 15.0961 16.8752 16.8752 16.8752 16.8752 19.1620 19.1620 k = 0.0000 0.0000 0.0000 ( 2741 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9557 -30.9557 -30.9557 -30.9557 -22.1878 -22.1878 -14.5510 -14.5510 -14.5510 -14.5510 2.5823 2.5823 10.4388 10.4388 10.6916 10.6916 10.6916 10.6916 10.8700 10.8700 10.8700 10.8700 11.7464 11.7464 12.0035 12.0035 12.0035 12.0035 15.0961 15.0961 16.8752 16.8752 16.8752 16.8752 19.1620 19.1620 k = 0.0114 0.0066 0.0046 ( 2741 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9557 -30.9557 -30.9557 -30.9557 -22.1878 -22.1878 -14.5510 -14.5510 -14.5510 -14.5510 2.5837 2.5837 10.4333 10.4333 10.6645 10.6863 10.6863 10.6941 10.8632 10.8799 10.8799 10.9028 11.7454 11.7454 11.9993 12.0000 12.0000 12.0090 15.1037 15.1037 16.8668 16.8722 16.8722 16.8784 19.1639 19.1639 k = 0.0227 0.0131 0.0093 ( 2741 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9557 -30.9557 -30.9557 -30.9557 -22.1878 -22.1878 -14.5512 -14.5512 -14.5510 -14.5510 2.5879 2.5879 10.4173 10.4173 10.6265 10.6694 10.6727 10.6727 10.8852 10.9064 10.9064 10.9482 11.7424 11.7424 11.9899 11.9899 11.9965 12.0159 15.1263 15.1263 16.8532 16.8634 16.8634 16.8763 19.1696 19.1696 k = 0.0341 0.0197 0.0139 ( 2746 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9557 -30.9557 -30.9557 -30.9557 -22.1879 -22.1879 -14.5515 -14.5515 -14.5511 -14.5510 2.5949 2.5949 10.3928 10.3928 10.5845 10.6308 10.6545 10.6545 10.9224 10.9440 10.9440 10.9991 11.7368 11.7368 11.9743 11.9743 11.9949 12.0243 15.1632 15.1632 16.8348 16.8489 16.8489 16.8690 19.1783 19.1783 k = 0.0455 0.0262 0.0186 ( 2758 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9557 -30.9557 -30.9557 -30.9557 -22.1879 -22.1879 -14.5520 -14.5520 -14.5511 -14.5511 2.6046 2.6046 10.3621 10.3621 10.5413 10.5874 10.6332 10.6332 10.9654 10.9883 10.9883 11.0526 11.7279 11.7279 11.9553 11.9553 11.9948 12.0345 15.2136 15.2136 16.8119 16.8289 16.8289 16.8565 19.1894 19.1894 k = 0.0568 0.0328 0.0232 ( 2770 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9558 -30.9558 -30.9557 -30.9557 -22.1880 -22.1880 -14.5525 -14.5525 -14.5512 -14.5512 2.6171 2.6171 10.3273 10.3273 10.4980 10.5428 10.6091 10.6091 11.0106 11.0368 11.0368 11.1073 11.7146 11.7146 11.9354 11.9354 11.9963 12.0467 15.2763 15.2763 16.7850 16.8041 16.8041 16.8392 19.2016 19.2016 k = 0.0682 0.0394 0.0278 ( 2770 PWs) bands (ev): -64.2293 -64.2293 -47.7733 -47.7733 -34.8493 -34.8493 -30.9558 -30.9558 -30.9557 -30.9557 -22.1881 -22.1881 -14.5532 -14.5532 -14.5513 -14.5512 2.6323 2.6323 10.2898 10.2898 10.4553 10.4983 10.5815 10.5815 11.0561 11.0878 11.0878 11.1624 11.6960 11.6960 11.9175 11.9175 11.9997 12.0614 15.3498 15.3498 16.7544 16.7749 16.7749 16.8174 19.2137 19.2137 k = 0.0795 0.0459 0.0325 ( 2782 PWs) bands (ev): -64.2294 -64.2294 -47.7733 -47.7733 -34.8493 -34.8493 -30.9558 -30.9558 -30.9558 -30.9558 -22.1882 -22.1882 -14.5539 -14.5539 -14.5514 -14.5513 2.6502 2.6502 10.2509 10.2509 10.4135 10.4546 10.5500 10.5500 11.1009 11.1399 11.1399 11.2170 11.6715 11.6715 11.9042 11.9042 12.0055 12.0787 15.4327 15.4327 16.7207 16.7416 16.7416 16.7916 19.2245 19.2245 k = 0.0909 0.0525 0.0371 ( 2791 PWs) bands (ev): -64.2294 -64.2294 -47.7733 -47.7733 -34.8493 -34.8493 -30.9558 -30.9558 -30.9558 -30.9558 -22.1883 -22.1883 -14.5548 -14.5548 -14.5515 -14.5514 2.6706 2.6706 10.2112 10.2112 10.3727 10.4120 10.5141 10.5141 11.1442 11.1919 11.1919 11.2704 11.6420 11.6420 11.8968 11.8968 12.0142 12.0992 15.5236 15.5236 16.6843 16.7050 16.7050 16.7621 19.2330 19.2330 k = 0.1023 0.0590 0.0418 ( 2788 PWs) bands (ev): -64.2294 -64.2294 -47.7733 -47.7733 -34.8493 -34.8493 -30.9558 -30.9558 -30.9558 -30.9558 -22.1884 -22.1884 -14.5557 -14.5557 -14.5516 -14.5515 2.6937 2.6937 10.1713 10.1713 10.3332 10.3708 10.4736 10.4736 11.1855 11.2425 11.2425 11.3216 11.6092 11.6092 11.8961 11.8961 12.0266 12.1233 15.6210 15.6210 16.6456 16.6656 16.6656 16.7294 19.2380 19.2380 k = 0.1136 0.0656 0.0464 ( 2794 PWs) bands (ev): -64.2294 -64.2294 -47.7733 -47.7733 -34.8493 -34.8493 -30.9559 -30.9559 -30.9558 -30.9558 -22.1885 -22.1885 -14.5568 -14.5568 -14.5518 -14.5517 2.7192 2.7192 10.1314 10.1314 10.2950 10.3310 10.4283 10.4283 11.2241 11.2898 11.2898 11.3698 11.5755 11.5755 11.9021 11.9021 12.0433 12.1513 15.7234 15.7234 16.6052 16.6237 16.6237 16.6941 19.2381 19.2381 k = 0.1250 0.0722 0.0510 ( 2800 PWs) bands (ev): -64.2294 -64.2294 -47.7733 -47.7733 -34.8493 -34.8493 -30.9559 -30.9559 -30.9558 -30.9558 -22.1887 -22.1887 -14.5579 -14.5579 -14.5519 -14.5518 2.7471 2.7471 10.0915 10.0915 10.2582 10.2926 10.3783 10.3783 11.2595 11.3315 11.3315 11.4138 11.5439 11.5439 11.9154 11.9154 12.0654 12.1837 15.8296 15.8296 16.5634 16.5800 16.5800 16.6565 19.2301 19.2301 k = 0.1364 0.0787 0.0557 ( 2806 PWs) bands (ev): -64.2294 -64.2294 -47.7733 -47.7733 -34.8493 -34.8493 -30.9559 -30.9559 -30.9559 -30.9559 -22.1888 -22.1888 -14.5591 -14.5591 -14.5521 -14.5519 2.7774 2.7774 10.0514 10.0514 10.2229 10.2559 10.3239 10.3239 11.2915 11.3640 11.3640 11.4528 11.5181 11.5181 11.9363 11.9363 12.0937 12.2206 15.9382 15.9382 16.5206 16.5349 16.5349 16.6171 19.2084 19.2084 k = 0.1477 0.0853 0.0603 ( 2803 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8493 -34.8493 -30.9559 -30.9559 -30.9559 -30.9559 -22.1890 -22.1890 -14.5604 -14.5604 -14.5522 -14.5521 2.8099 2.8099 10.0109 10.0109 10.1890 10.2207 10.2660 10.2660 11.3196 11.3815 11.3815 11.4860 11.5039 11.5039 11.9656 11.9656 12.1287 12.2624 16.0477 16.0477 16.4773 16.4889 16.4889 16.5763 19.1632 19.1632 k = 0.1591 0.0919 0.0649 ( 2803 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8493 -34.8493 -30.9560 -30.9560 -30.9559 -30.9559 -22.1891 -22.1891 -14.5617 -14.5617 -14.5524 -14.5522 2.8446 2.8446 9.9693 9.9693 10.1566 10.1872 10.2057 10.2057 11.3440 11.3807 11.3807 11.5041 11.5041 11.5131 12.0036 12.0036 12.1708 12.3089 16.1567 16.1567 16.4336 16.4427 16.4427 16.5346 19.0835 19.0835 k = 0.1705 0.0984 0.0696 ( 2806 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8493 -34.8493 -30.9560 -30.9560 -30.9559 -30.9559 -22.1893 -22.1893 -14.5632 -14.5632 -14.5525 -14.5524 2.8813 2.8813 9.9253 9.9253 10.1257 10.1446 10.1446 10.1552 11.3644 11.3682 11.3682 11.5128 11.5128 11.5341 12.0499 12.0499 12.2198 12.3601 16.2621 16.2621 16.3900 16.3983 16.3983 16.4922 18.9658 18.9658 k = 0.1818 0.1050 0.0742 ( 2803 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8492 -34.8492 -30.9560 -30.9560 -30.9559 -30.9559 -22.1894 -22.1894 -14.5646 -14.5646 -14.5527 -14.5525 2.9199 2.9199 9.8774 9.8774 10.0850 10.0850 10.0964 10.1248 11.3519 11.3519 11.3812 11.5227 11.5227 11.5493 12.1041 12.1041 12.2754 12.4158 16.3277 16.3277 16.3468 16.3912 16.3912 16.4496 18.8175 18.8175 k = 0.1932 0.1115 0.0789 ( 2803 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8492 -34.8492 -30.9560 -30.9560 -30.9559 -30.9559 -22.1896 -22.1896 -14.5661 -14.5661 -14.5529 -14.5527 2.9603 2.9603 9.8237 9.8237 10.0294 10.0294 10.0686 10.0960 11.3359 11.3359 11.3945 11.5304 11.5304 11.5595 12.1649 12.1649 12.3366 12.4757 16.2925 16.2925 16.3040 16.4069 16.4814 16.4814 18.6494 18.6494 k = 0.2045 0.1181 0.0835 ( 2809 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8492 -34.8492 -30.9561 -30.9561 -30.9560 -30.9560 -22.1898 -22.1898 -14.5677 -14.5677 -14.5531 -14.5529 3.0023 3.0023 9.7628 9.7628 9.9799 9.9799 10.0423 10.0688 11.3218 11.3218 11.4047 11.5352 11.5352 11.5652 12.2314 12.2314 12.4028 12.5393 16.2468 16.2468 16.2621 16.3645 16.5776 16.5776 18.4702 18.4702 k = 0.2159 0.1247 0.0881 ( 2809 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8492 -34.8492 -30.9561 -30.9561 -30.9560 -30.9560 -22.1900 -22.1900 -14.5692 -14.5692 -14.5532 -14.5531 3.0458 3.0458 9.6947 9.6947 9.9370 9.9370 10.0175 10.0432 11.3102 11.3102 11.4120 11.5374 11.5374 11.5673 12.3025 12.3025 12.4732 12.6063 16.2005 16.2005 16.2211 16.3227 16.6693 16.6693 18.2854 18.2854 k = 0.2273 0.1312 0.0928 ( 2809 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8492 -34.8492 -30.9561 -30.9561 -30.9560 -30.9560 -22.1902 -22.1902 -14.5708 -14.5708 -14.5534 -14.5533 3.0907 3.0907 9.6208 9.6208 9.9000 9.9000 9.9942 10.0190 11.3013 11.3013 11.4167 11.5374 11.5374 11.5663 12.3774 12.3774 12.5470 12.6764 16.1543 16.1543 16.1814 16.2816 16.7545 16.7545 18.0991 18.0991 k = 0.2386 0.1378 0.0974 ( 2815 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8492 -34.8492 -30.9562 -30.9562 -30.9560 -30.9560 -22.1904 -22.1904 -14.5725 -14.5725 -14.5536 -14.5534 3.1367 3.1367 9.5427 9.5427 9.8677 9.8677 9.9724 9.9964 11.2951 11.2951 11.4193 11.5355 11.5355 11.5628 12.4553 12.4553 12.6236 12.7489 16.1088 16.1088 16.1430 16.2414 16.8318 16.8318 17.9141 17.9141 k = 0.2500 0.1443 0.1021 ( 2809 PWs) bands (ev): -64.2294 -64.2294 -47.7732 -47.7732 -34.8492 -34.8492 -30.9562 -30.9562 -30.9560 -30.9560 -22.1905 -22.1905 -14.5741 -14.5741 -14.5538 -14.5536 3.1838 3.1838 9.4620 9.4620 9.8392 9.8392 9.9521 9.9753 11.2916 11.2916 11.4200 11.5324 11.5324 11.5574 12.5358 12.5358 12.7025 12.8236 16.0639 16.0639 16.1061 16.2025 16.8991 16.8991 17.7336 17.7336 k = 0.2614 0.1509 0.1067 ( 2815 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8492 -34.8492 -30.9562 -30.9562 -30.9561 -30.9561 -22.1907 -22.1907 -14.5757 -14.5757 -14.5540 -14.5538 3.2316 3.2316 9.3799 9.3799 9.8136 9.8136 9.9331 9.9555 11.2907 11.2907 11.4190 11.5281 11.5281 11.5501 12.6183 12.6183 12.7831 12.9001 16.0198 16.0198 16.0708 16.1648 16.9522 16.9522 17.5629 17.5629 k = 0.2727 0.1575 0.1113 ( 2815 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8492 -34.8492 -30.9563 -30.9563 -30.9561 -30.9561 -22.1909 -22.1909 -14.5773 -14.5773 -14.5541 -14.5540 3.2799 3.2799 9.2973 9.2973 9.7905 9.7905 9.9156 9.9372 11.2921 11.2921 11.4166 11.5232 11.5232 11.5415 12.7024 12.7024 12.8650 12.9779 15.9765 15.9765 16.0372 16.1285 16.9802 16.9802 17.4138 17.4138 k = 0.2841 0.1640 0.1160 ( 2827 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8492 -34.8492 -30.9563 -30.9563 -30.9561 -30.9561 -22.1911 -22.1911 -14.5789 -14.5789 -14.5544 -14.5542 3.3286 3.3286 9.2150 9.2150 9.7694 9.7694 9.8993 9.9202 11.2957 11.2957 11.4131 11.5179 11.5179 11.5317 12.7877 12.7877 12.9479 13.0567 15.9339 15.9339 16.0054 16.0937 16.9567 16.9567 17.3135 17.3135 k = 0.2955 0.1706 0.1206 ( 2821 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8491 -34.8491 -30.9563 -30.9563 -30.9561 -30.9561 -22.1913 -22.1913 -14.5804 -14.5804 -14.5545 -14.5544 3.3775 3.3775 9.1336 9.1336 9.7503 9.7503 9.8844 9.9045 11.3012 11.3012 11.4087 11.5126 11.5126 11.5211 12.8740 12.8740 13.0313 13.1361 15.8923 15.8923 15.9757 16.0608 16.8624 16.8624 17.2825 17.2825 k = 0.3068 0.1771 0.1253 ( 2821 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8491 -34.8491 -30.9564 -30.9564 -30.9562 -30.9562 -22.1915 -22.1915 -14.5820 -14.5820 -14.5547 -14.5545 3.4262 3.4262 9.0536 9.0536 9.7327 9.7327 9.8708 9.8900 11.3084 11.3084 11.4036 11.5075 11.5075 11.5099 12.9608 12.9608 13.1148 13.2156 15.8513 15.8513 15.9479 16.0295 16.7262 16.7262 17.2927 17.2927 k = 0.3182 0.1837 0.1299 ( 2818 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8491 -34.8491 -30.9564 -30.9564 -30.9562 -30.9562 -22.1916 -22.1916 -14.5834 -14.5834 -14.5549 -14.5547 3.4745 3.4745 8.9755 8.9755 9.7167 9.7167 9.8584 9.8767 11.3167 11.3167 11.3980 11.4981 11.5031 11.5031 13.0478 13.0478 13.1980 13.2949 15.8109 15.8109 15.9222 16.0002 16.5771 16.5771 17.3163 17.3163 k = 0.3295 0.1903 0.1345 ( 2824 PWs) bands (ev): -64.2294 -64.2294 -47.7731 -47.7731 -34.8491 -34.8491 -30.9564 -30.9564 -30.9562 -30.9562 -22.1918 -22.1918 -14.5849 -14.5849 -14.5551 -14.5549 3.5221 3.5221 8.8997 8.8997 9.7021 9.7021 9.8471 9.8646 11.3257 11.3257 11.3920 11.4860 11.4999 11.4999 13.1348 13.1348 13.2806 13.3735 15.7710 15.7710 15.8987 15.9729 16.4267 16.4267 17.3426 17.3426 k = 0.3409 0.1968 0.1392 ( 2818 PWs) bands (ev): -64.2293 -64.2293 -47.7731 -47.7731 -34.8491 -34.8491 -30.9564 -30.9564 -30.9562 -30.9562 -22.1920 -22.1920 -14.5862 -14.5862 -14.5552 -14.5551 3.5688 3.5688 8.8265 8.8265 9.6889 9.6889 9.8370 9.8536 11.3348 11.3348 11.3858 11.4737 11.4983 11.4983 13.2214 13.2214 13.3622 13.4509 15.7313 15.7313 15.8774 15.9475 16.2799 16.2799 17.3683 17.3683 k = 0.3523 0.2034 0.1438 ( 2818 PWs) bands (ev): -64.2293 -64.2293 -47.7731 -47.7731 -34.8491 -34.8491 -30.9565 -30.9565 -30.9563 -30.9562 -22.1921 -22.1921 -14.5875 -14.5875 -14.5554 -14.5552 3.6142 3.6142 8.7564 8.7564 9.6768 9.6768 9.8279 9.8436 11.3431 11.3431 11.3796 11.4614 11.4989 11.4989 13.3071 13.3071 13.4422 13.5267 15.6913 15.6913 15.8583 15.9243 16.1390 16.1390 17.3921 17.3921 k = 0.3636 0.2099 0.1485 ( 2821 PWs) bands (ev): -64.2293 -64.2293 -47.7731 -47.7731 -34.8491 -34.8491 -30.9565 -30.9565 -30.9563 -30.9563 -22.1923 -22.1923 -14.5888 -14.5888 -14.5555 -14.5554 3.6581 3.6581 8.6897 8.6897 9.6660 9.6660 9.8198 9.8345 11.3501 11.3501 11.3735 11.4491 11.5023 11.5023 13.3915 13.3915 13.5203 13.6003 15.6503 15.6503 15.8415 15.9032 16.0063 16.0063 17.4135 17.4135 k = 0.3750 0.2165 0.1531 ( 2821 PWs) bands (ev): -64.2293 -64.2293 -47.7731 -47.7731 -34.8491 -34.8491 -30.9565 -30.9565 -30.9563 -30.9563 -22.1924 -22.1924 -14.5899 -14.5899 -14.5556 -14.5555 3.7001 3.7001 8.6267 8.6267 9.6562 9.6562 9.8127 9.8264 11.3553 11.3553 11.3676 11.4371 11.5087 11.5087 13.4742 13.4742 13.5958 13.6711 15.6067 15.6067 15.8270 15.8843 15.8843 15.8843 17.4325 17.4325 k = 0.3864 0.2231 0.1577 ( 2821 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8491 -34.8491 -30.9565 -30.9565 -30.9563 -30.9563 -22.1925 -22.1925 -14.5910 -14.5910 -14.5557 -14.5556 3.7399 3.7399 8.5678 8.5678 9.6475 9.6475 9.8065 9.8191 11.3584 11.3584 11.3620 11.4254 11.5181 11.5181 13.5545 13.5545 13.6682 13.7386 15.5579 15.5579 15.7765 15.7765 15.8147 15.8675 17.4492 17.4492 k = 0.3977 0.2296 0.1624 ( 2833 PWs) bands (ev): -64.2294 -64.2294 -47.7730 -47.7730 -34.8491 -34.8491 -30.9566 -30.9566 -30.9563 -30.9563 -22.1927 -22.1927 -14.5921 -14.5921 -14.5559 -14.5558 3.7771 3.7771 8.5133 8.5133 9.6397 9.6397 9.8011 9.8126 11.3569 11.3596 11.3596 11.4141 11.5300 11.5300 13.6318 13.6318 13.7368 13.8020 15.5000 15.5000 15.6875 15.6875 15.8046 15.8528 17.4636 17.4636 k = 0.4091 0.2362 0.1670 ( 2833 PWs) bands (ev): -64.2294 -64.2294 -47.7730 -47.7730 -34.8491 -34.8491 -30.9566 -30.9566 -30.9563 -30.9563 -22.1928 -22.1928 -14.5930 -14.5930 -14.5560 -14.5559 3.8115 3.8115 8.4635 8.4635 9.6330 9.6330 9.7966 9.8069 11.3525 11.3594 11.3594 11.4034 11.5435 11.5435 13.7054 13.7054 13.8013 13.8607 15.4316 15.4316 15.6197 15.6197 15.7967 15.8401 17.4761 17.4761 k = 0.4205 0.2427 0.1716 ( 2827 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8491 -34.8491 -30.9566 -30.9566 -30.9563 -30.9563 -22.1928 -22.1928 -14.5938 -14.5938 -14.5561 -14.5560 3.8428 3.8428 8.4188 8.4188 9.6271 9.6271 9.7928 9.8020 11.3487 11.3583 11.3583 11.3933 11.5579 11.5579 13.7744 13.7744 13.8608 13.9142 15.3577 15.3577 15.5690 15.5690 15.7908 15.8293 17.4866 17.4866 k = 0.4318 0.2493 0.1763 ( 2827 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8490 -34.8490 -30.9566 -30.9566 -30.9563 -30.9563 -22.1929 -22.1929 -14.5945 -14.5945 -14.5561 -14.5561 3.8705 3.8705 8.3793 8.3793 9.6222 9.6222 9.7897 9.7977 11.3456 11.3565 11.3565 11.3840 11.5723 11.5723 13.8378 13.8378 13.9147 13.9615 15.2855 15.2855 15.5295 15.5295 15.7868 15.8203 17.4953 17.4953 k = 0.4432 0.2559 0.1809 ( 2833 PWs) bands (ev): -64.2294 -64.2294 -47.7730 -47.7730 -34.8490 -34.8490 -30.9566 -30.9566 -30.9564 -30.9564 -22.1930 -22.1930 -14.5951 -14.5951 -14.5562 -14.5562 3.8946 3.8946 8.3454 8.3454 9.6180 9.6180 9.7873 9.7940 11.3433 11.3546 11.3546 11.3753 11.5859 11.5859 13.8946 13.8946 13.9624 14.0022 15.2199 15.2199 15.4972 15.4972 15.7845 15.8127 17.5022 17.5022 k = 0.4545 0.2624 0.1856 ( 2833 PWs) bands (ev): -64.2294 -64.2294 -47.7730 -47.7730 -34.8490 -34.8490 -30.9566 -30.9566 -30.9564 -30.9564 -22.1931 -22.1931 -14.5956 -14.5956 -14.5563 -14.5562 3.9146 3.9146 8.3174 8.3174 9.6146 9.6146 9.7855 9.7909 11.3420 11.3527 11.3527 11.3677 11.5981 11.5981 13.9434 13.9434 14.0031 14.0356 15.1637 15.1637 15.4707 15.4707 15.7837 15.8065 17.5071 17.5071 k = 0.4659 0.2690 0.1902 ( 2821 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8490 -34.8490 -30.9566 -30.9566 -30.9564 -30.9564 -22.1931 -22.1931 -14.5959 -14.5959 -14.5563 -14.5562 3.9305 3.9305 8.2953 8.2953 9.6120 9.6120 9.7843 9.7884 11.3417 11.3511 11.3511 11.3610 11.6082 11.6082 13.9832 13.9832 14.0365 14.0613 15.1186 15.1186 15.4496 15.4496 15.7841 15.8014 17.5099 17.5099 k = 0.4773 0.2756 0.1948 ( 2818 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8490 -34.8490 -30.9566 -30.9566 -30.9564 -30.9564 -22.1931 -22.1931 -14.5962 -14.5962 -14.5563 -14.5563 3.9419 3.9419 8.2794 8.2794 9.6102 9.6102 9.7836 9.7864 11.3423 11.3499 11.3499 11.3552 11.6158 11.6158 14.0127 14.0127 14.0619 14.0786 15.0857 15.0857 15.4341 15.4341 15.7855 15.7971 17.5102 17.5102 k = 0.4886 0.2821 0.1995 ( 2824 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8490 -34.8490 -30.9567 -30.9567 -30.9564 -30.9564 -22.1931 -22.1931 -14.5964 -14.5964 -14.5563 -14.5563 3.9488 3.9488 8.2698 8.2698 9.6091 9.6091 9.7835 9.7849 11.3440 11.3491 11.3491 11.3504 11.6204 11.6204 14.0308 14.0308 14.0791 14.0875 15.0657 15.0657 15.4246 15.4246 15.7876 15.7934 17.5086 17.5086 k = 0.5000 0.2887 0.2041 ( 2824 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8490 -34.8490 -30.9567 -30.9567 -30.9564 -30.9564 -22.1932 -22.1932 -14.5965 -14.5965 -14.5563 -14.5563 3.9511 3.9511 8.2666 8.2666 9.6087 9.6087 9.7839 9.7839 11.3467 11.3467 11.3488 11.3488 11.6220 11.6220 14.0370 14.0370 14.0876 14.0876 15.0590 15.0590 15.4214 15.4214 15.7902 15.7902 17.5075 17.5075 k = 0.5000 0.2887 0.2041 ( 2824 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8490 -34.8490 -30.9567 -30.9567 -30.9564 -30.9564 -22.1932 -22.1932 -14.5965 -14.5965 -14.5563 -14.5563 3.9511 3.9511 8.2666 8.2666 9.6087 9.6087 9.7839 9.7839 11.3467 11.3467 11.3488 11.3488 11.6220 11.6220 14.0370 14.0370 14.0876 14.0876 15.0590 15.0590 15.4214 15.4214 15.7902 15.7902 17.5075 17.5075 k = 0.5040 0.2770 0.2107 ( 2824 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8491 -34.8490 -30.9568 -30.9566 -30.9564 -30.9563 -22.1932 -22.1931 -14.5968 -14.5961 -14.5564 -14.5564 3.9477 3.9556 8.2642 8.2714 9.6078 9.6100 9.7841 9.7841 11.3449 11.3468 11.3480 11.3529 11.6190 11.6253 14.0338 14.0342 14.0847 14.0848 15.0527 15.0609 15.4103 15.4285 15.7877 15.7878 17.4699 17.5179 k = 0.5081 0.2654 0.2173 ( 2820 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8492 -34.8489 -30.9570 -30.9566 -30.9563 -30.9562 -22.1932 -22.1931 -14.5971 -14.5958 -14.5565 -14.5565 3.9453 3.9610 8.2642 8.2786 9.6073 9.6117 9.7847 9.7847 11.3420 11.3478 11.3497 11.3576 11.6164 11.6288 14.0238 14.0241 14.0771 14.0779 15.0418 15.0582 15.3954 15.4318 15.7800 15.7806 17.4375 17.5027 k = 0.5121 0.2538 0.2239 ( 2825 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8492 -34.8488 -30.9572 -30.9566 -30.9563 -30.9560 -22.1932 -22.1931 -14.5974 -14.5954 -14.5567 -14.5567 3.9439 3.9674 8.2666 8.2881 9.6071 9.6137 9.7855 9.7856 11.3397 11.3496 11.3525 11.3630 11.6140 11.6325 14.0040 14.0046 14.0677 14.0700 15.0258 15.0503 15.3769 15.4317 15.7671 15.7692 17.4134 17.4953 k = 0.5161 0.2421 0.2305 ( 2827 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8493 -34.8488 -30.9573 -30.9567 -30.9562 -30.9559 -22.1933 -22.1931 -14.5976 -14.5951 -14.5570 -14.5570 3.9434 3.9747 8.2714 8.3000 9.6071 9.6159 9.7869 9.7870 11.3380 11.3523 11.3561 11.3688 11.6121 11.6363 13.9732 13.9749 14.0585 14.0626 15.0041 15.0361 15.3560 15.4282 15.7495 15.7542 17.3990 17.4972 k = 0.5202 0.2305 0.2370 ( 2833 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8494 -34.8487 -30.9575 -30.9567 -30.9562 -30.9557 -22.1934 -22.1931 -14.5979 -14.5947 -14.5574 -14.5573 3.9440 3.9830 8.2786 8.3143 9.6071 9.6181 9.7888 9.7890 11.3370 11.3560 11.3606 11.3752 11.6106 11.6404 13.9328 13.9351 14.0497 14.0556 14.9762 15.0141 15.3337 15.4216 15.7279 15.7362 17.3948 17.5082 k = 0.5242 0.2188 0.2436 ( 2835 PWs) bands (ev): -64.2294 -64.2293 -47.7730 -47.7730 -34.8494 -34.8487 -30.9577 -30.9568 -30.9562 -30.9555 -22.1934 -22.1932 -14.5981 -14.5943 -14.5578 -14.5577 3.9455 3.9921 8.2883 8.3310 9.6071 9.6202 9.7913 9.7917 11.3368 11.3605 11.3661 11.3820 11.6096 11.6446 13.8843 13.8869 14.0407 14.0483 14.9419 14.9830 15.3116 15.4119 15.7034 15.7160 17.4001 17.5269 k = 0.5282 0.2072 0.2502 ( 2833 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8495 -34.8486 -30.9579 -30.9569 -30.9561 -30.9554 -22.1935 -22.1932 -14.5983 -14.5938 -14.5583 -14.5582 3.9480 4.0019 8.3003 8.3499 9.6069 9.6220 9.7947 9.7954 11.3374 11.3661 11.3725 11.3891 11.6092 11.6488 13.8292 13.8315 14.0310 14.0402 14.9012 14.9420 15.2908 15.3988 15.6774 15.6944 17.4137 17.5515 k = 0.5323 0.1956 0.2568 ( 2835 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8495 -34.8486 -30.9580 -30.9569 -30.9561 -30.9552 -22.1935 -22.1932 -14.5985 -14.5934 -14.5589 -14.5587 3.9513 4.0125 8.3148 8.3712 9.6061 9.6231 9.7990 9.8001 11.3389 11.3727 11.3796 11.3964 11.6095 11.6532 13.7685 13.7699 14.0204 14.0311 14.8546 14.8914 15.2717 15.3821 15.6516 15.6720 17.4336 17.5792 k = 0.5363 0.1839 0.2634 ( 2831 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8496 -34.8485 -30.9582 -30.9570 -30.9561 -30.9550 -22.1936 -22.1932 -14.5987 -14.5930 -14.5595 -14.5593 3.9555 4.0238 8.3317 8.3949 9.6046 9.6235 9.8045 9.8062 11.3413 11.3804 11.3876 11.4037 11.6107 11.6575 13.7028 13.7030 14.0086 14.0209 14.8026 14.8323 15.2541 15.3615 15.6274 15.6496 17.4576 17.6071 k = 0.5403 0.1723 0.2700 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8496 -34.8484 -30.9583 -30.9571 -30.9561 -30.9549 -22.1937 -22.1933 -14.5989 -14.5925 -14.5603 -14.5599 3.9605 4.0357 8.3510 8.4207 9.6022 9.6227 9.8112 9.8136 11.3446 11.3891 11.3963 11.4109 11.6129 11.6618 13.6310 13.6336 13.9955 14.0094 14.7462 14.7664 15.2375 15.3370 15.6059 15.6278 17.4832 17.6324 k = 0.5444 0.1606 0.2766 ( 2828 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8497 -34.8484 -30.9585 -30.9571 -30.9560 -30.9547 -22.1937 -22.1933 -14.5991 -14.5921 -14.5610 -14.5606 3.9663 4.0481 8.3727 8.4489 9.5987 9.6207 9.8193 9.8227 11.3489 11.3989 11.4057 11.4176 11.6163 11.6661 13.5549 13.5608 13.9810 13.9965 14.6863 14.6954 15.2214 15.3092 15.5877 15.6071 17.5084 17.6529 k = 0.5484 0.1490 0.2831 ( 2828 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8497 -34.8483 -30.9586 -30.9572 -30.9560 -30.9546 -22.1938 -22.1934 -14.5992 -14.5916 -14.5618 -14.5613 3.9727 4.0610 8.3967 8.4792 9.5940 9.6173 9.8289 9.8334 11.3543 11.4095 11.4157 11.4239 11.6210 11.6702 13.4751 13.4849 13.9651 13.9823 14.6211 14.6241 15.2052 15.2788 15.5728 15.5878 17.5314 17.6676 k = 0.5524 0.1374 0.2897 ( 2827 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8498 -34.8483 -30.9588 -30.9573 -30.9560 -30.9545 -22.1939 -22.1934 -14.5994 -14.5912 -14.5627 -14.5620 3.9797 4.0741 8.4230 8.5116 9.5879 9.6125 9.8400 9.8458 11.3607 11.4202 11.4262 11.4302 11.6272 11.6741 13.3920 13.4066 13.9477 13.9665 14.5450 14.5606 15.1889 15.2468 15.5607 15.5702 17.5508 17.6762 k = 0.5565 0.1257 0.2963 ( 2821 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8498 -34.8482 -30.9589 -30.9573 -30.9560 -30.9543 -22.1940 -22.1935 -14.5995 -14.5907 -14.5636 -14.5627 3.9873 4.0876 8.4516 8.5461 9.5806 9.6062 9.8528 9.8599 11.3681 11.4283 11.4371 11.4390 11.6352 11.6779 13.3060 13.3261 13.9288 13.9492 14.4686 14.4968 15.1724 15.2143 15.5511 15.5544 17.5656 17.6787 k = 0.5605 0.1141 0.3029 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8498 -34.8482 -30.9590 -30.9574 -30.9560 -30.9542 -22.1941 -22.1935 -14.5997 -14.5903 -14.5645 -14.5635 3.9954 4.1011 8.4823 8.5825 9.5721 9.5986 9.8670 9.8755 11.3764 11.4321 11.4482 11.4517 11.6447 11.6813 13.2177 13.2437 13.9082 13.9303 14.3928 14.4336 15.1559 15.1822 15.5404 15.5433 17.5754 17.6752 k = 0.5645 0.1024 0.3095 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8499 -34.8482 -30.9591 -30.9575 -30.9560 -30.9541 -22.1941 -22.1936 -14.5998 -14.5898 -14.5654 -14.5642 4.0038 4.1147 8.5151 8.6206 9.5623 9.5898 9.8828 9.8928 11.3856 11.4335 11.4596 11.4661 11.6561 11.6845 13.1275 13.1600 13.8861 13.9099 14.3188 14.3716 15.1398 15.1512 15.5282 15.5371 17.5800 17.6660 k = 0.5685 0.0908 0.3161 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8499 -34.8481 -30.9593 -30.9576 -30.9560 -30.9540 -22.1942 -22.1936 -14.5999 -14.5894 -14.5664 -14.5649 4.0125 4.1283 8.5497 8.6603 9.5515 9.5800 9.9000 9.9115 11.3955 11.4333 11.4710 11.4815 11.6691 11.6873 13.0361 13.0754 13.8623 13.8878 14.2472 14.3115 15.1221 15.1242 15.5177 15.5320 17.5794 17.6512 k = 0.5726 0.0792 0.3226 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8499 -34.8481 -30.9594 -30.9576 -30.9559 -30.9539 -22.1943 -22.1937 -14.6001 -14.5891 -14.5673 -14.5657 4.0215 4.1417 8.5861 8.7013 9.5399 9.5692 9.9186 9.9316 11.4060 11.4316 11.4824 11.4973 11.6836 11.6897 12.9440 12.9904 13.8370 13.8640 14.1785 14.2535 15.0952 15.1098 15.5087 15.5279 17.5738 17.6311 k = 0.5766 0.0675 0.3292 ( 2824 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8481 -30.9595 -30.9577 -30.9559 -30.9538 -22.1944 -22.1938 -14.6002 -14.5887 -14.5682 -14.5664 4.0306 4.1548 8.6239 8.7433 9.5276 9.5578 9.9385 9.9529 11.4170 11.4285 11.4935 11.5134 11.6918 11.6996 12.8520 12.9055 13.8100 13.8386 14.1133 14.1981 15.0709 15.0967 15.5011 15.5245 17.5636 17.6060 k = 0.5806 0.0559 0.3358 ( 2824 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9595 -30.9578 -30.9559 -30.9537 -22.1945 -22.1938 -14.6004 -14.5884 -14.5691 -14.5670 4.0397 4.1675 8.6628 8.7859 9.5149 9.5462 9.9596 9.9755 11.4241 11.4281 11.5044 11.5294 11.6935 11.7169 12.7608 12.8214 13.7815 13.8116 14.0517 14.1452 15.0497 15.0855 15.4948 15.5219 17.5490 17.5763 k = 0.5847 0.0442 0.3424 ( 2824 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9596 -30.9578 -30.9559 -30.9537 -22.1945 -22.1939 -14.6006 -14.5882 -14.5699 -14.5676 4.0487 4.1796 8.7024 8.8285 9.5022 9.5348 9.9819 9.9992 11.4187 11.4391 11.5147 11.5450 11.6948 11.7354 12.6710 12.7389 13.7514 13.7829 13.9940 14.0951 15.0317 15.0764 15.4897 15.5200 17.5304 17.5423 k = 0.5887 0.0326 0.3490 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9597 -30.9579 -30.9559 -30.9536 -22.1946 -22.1940 -14.6007 -14.5880 -14.5707 -14.5682 4.0576 4.1912 8.7421 8.8704 9.4898 9.5240 10.0052 10.0239 11.4122 11.4498 11.5246 11.5599 11.6958 11.7549 12.5835 12.6586 13.7197 13.7526 13.9400 14.0476 15.0171 15.0696 15.4859 15.5187 17.5045 17.5082 k = 0.5927 0.0210 0.3556 ( 2828 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9597 -30.9579 -30.9559 -30.9535 -22.1947 -22.1940 -14.6009 -14.5879 -14.5713 -14.5688 4.0662 4.2020 8.7813 8.9107 9.4784 9.5147 10.0296 10.0496 11.4049 11.4598 11.5339 11.5737 11.6965 11.7754 12.4990 12.5813 13.6865 13.7206 13.8898 14.0027 15.0062 15.0655 15.4832 15.5182 17.4636 17.4827 k = 0.5968 0.0093 0.3622 ( 2827 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9598 -30.9580 -30.9559 -30.9535 -22.1948 -22.1941 -14.6011 -14.5879 -14.5719 -14.5692 4.0745 4.2120 8.8190 8.9482 9.4686 9.5078 10.0549 10.0762 11.3969 11.4687 11.5427 11.5862 11.6972 11.7968 12.4183 12.5078 13.6518 13.6871 13.8433 13.9603 14.9990 15.0643 15.4819 15.5186 17.4200 17.4544 k = 0.6008-0.0023 0.3687 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9598 -30.9580 -30.9559 -30.9535 -22.1948 -22.1941 -14.6013 -14.5880 -14.5723 -14.5696 4.0823 4.2210 8.8542 8.9814 9.4614 9.5046 10.0811 10.1036 11.3883 11.4762 11.5510 11.5970 11.6977 11.8188 12.3421 12.4387 13.6156 13.6518 13.8003 13.9203 14.9957 15.0659 15.4821 15.5199 17.3745 17.4234 k = 0.6048-0.0140 0.3753 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9599 -30.9581 -30.9559 -30.9534 -22.1949 -22.1942 -14.6014 -14.5881 -14.5726 -14.5700 4.0895 4.2288 8.8855 9.0086 9.4578 9.5064 10.1081 10.1319 11.3793 11.4820 11.5587 11.6059 11.6982 11.8412 12.2711 12.3749 13.5777 13.6148 13.7606 13.8824 14.9962 15.0707 15.4837 15.5224 17.3275 17.3903 k = 0.6089-0.0256 0.3819 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9599 -30.9581 -30.9559 -30.9534 -22.1949 -22.1943 -14.6016 -14.5884 -14.5729 -14.5703 4.0960 4.2355 8.9113 9.0282 9.4592 9.5147 10.1359 10.1607 11.3702 11.4859 11.5661 11.6127 11.6988 11.8637 12.2061 12.3167 13.5382 13.5760 13.7240 13.8464 15.0007 15.0786 15.4872 15.5264 17.2799 17.3553 k = 0.6129-0.0372 0.3885 ( 2834 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9599 -30.9582 -30.9560 -30.9534 -22.1950 -22.1943 -14.6018 -14.5888 -14.5730 -14.5705 4.1017 4.2409 8.9303 9.0389 9.4666 9.5302 10.1644 10.1903 11.3612 11.4880 11.5731 11.6171 11.6993 11.8858 12.1480 12.2649 13.4970 13.5353 13.6901 13.8122 15.0092 15.0897 15.4927 15.5321 17.2323 17.3190 k = 0.6169-0.0489 0.3951 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9599 -30.9582 -30.9559 -30.9534 -22.1950 -22.1943 -14.6019 -14.5892 -14.5729 -14.5707 4.1065 4.2449 8.9414 9.0406 9.4810 9.5530 10.1936 10.2205 11.3526 11.4885 11.5797 11.6192 11.6997 11.9065 12.0982 12.2200 13.4542 13.4927 13.6587 13.7794 15.0217 15.1040 15.5004 15.5399 17.1852 17.2819 k = 0.6210-0.0605 0.4017 ( 2836 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9599 -30.9583 -30.9559 -30.9534 -22.1950 -22.1944 -14.6020 -14.5896 -14.5729 -14.5708 4.1102 4.2473 8.9441 9.0336 9.5025 9.5824 10.2234 10.2512 11.3448 11.4878 11.5858 11.6188 11.6996 11.9227 12.0597 12.1822 13.4094 13.4482 13.6293 13.7478 15.0380 15.1216 15.5108 15.5501 17.1394 17.2447 k = 0.6250-0.0722 0.4082 ( 2838 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9599 -30.9583 -30.9559 -30.9534 -22.1951 -22.1944 -14.6021 -14.5901 -14.5727 -14.5709 4.1129 4.2481 8.9388 9.0192 9.5305 9.6170 10.2538 10.2824 11.3380 11.4863 11.5915 11.6161 11.6989 11.9282 12.0387 12.1519 13.3629 13.4018 13.6015 13.7170 15.0582 15.1424 15.5239 15.5630 17.0955 17.2080 k = 0.6250-0.0722 0.4082 ( 2838 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9599 -30.9583 -30.9559 -30.9534 -22.1951 -22.1944 -14.6021 -14.5901 -14.5727 -14.5709 4.1129 4.2481 8.9388 9.0192 9.5305 9.6170 10.2538 10.2824 11.3380 11.4863 11.5915 11.6161 11.6989 11.9282 12.0387 12.1519 13.3629 13.4018 13.6015 13.7170 15.0582 15.1424 15.5239 15.5630 17.0955 17.2080 k = 0.6181-0.0682 0.4196 ( 2838 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9599 -30.9583 -30.9559 -30.9534 -22.1951 -22.1944 -14.6021 -14.5901 -14.5727 -14.5709 4.1130 4.2483 8.9400 9.0203 9.5302 9.6163 10.2509 10.2849 11.3384 11.4871 11.5800 11.6279 11.6988 11.9293 12.0391 12.1517 13.3378 13.3809 13.6242 13.7352 15.0526 15.1467 15.5218 15.5706 17.0832 17.2087 k = 0.6111-0.0642 0.4309 ( 2834 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9599 -30.9583 -30.9560 -30.9534 -22.1951 -22.1944 -14.6021 -14.5900 -14.5729 -14.5708 4.1132 4.2492 8.9435 9.0236 9.5290 9.6144 10.2440 10.2906 11.3395 11.4895 11.5622 11.6466 11.6986 11.9325 12.0404 12.1512 13.2797 13.3286 13.6751 13.7792 15.0388 15.1565 15.5200 15.5890 17.0517 17.2053 k = 0.6042-0.0601 0.4423 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9599 -30.9583 -30.9560 -30.9534 -22.1951 -22.1944 -14.6020 -14.5899 -14.5732 -14.5708 4.1137 4.2505 8.9493 9.0291 9.5271 9.6112 10.2353 10.2972 11.3416 11.4934 11.5447 11.6642 11.6997 11.9375 12.0429 12.1503 13.2083 13.2601 13.7350 13.8340 15.0211 15.1670 15.5234 15.6138 17.0093 17.1903 k = 0.5972-0.0561 0.4536 ( 2832 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9599 -30.9584 -30.9560 -30.9533 -22.1951 -22.1944 -14.6020 -14.5897 -14.5735 -14.5708 4.1143 4.2523 8.9574 9.0367 9.5244 9.6066 10.2256 10.3037 11.3451 11.4984 11.5286 11.6761 11.7055 11.9433 12.0470 12.1489 13.1319 13.1839 13.7959 13.8912 15.0020 15.1753 15.5340 15.6430 16.9607 17.1621 k = 0.5903-0.0521 0.4649 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9599 -30.9584 -30.9560 -30.9533 -22.1951 -22.1944 -14.6019 -14.5895 -14.5739 -14.5708 4.1151 4.2546 8.9677 9.0465 9.5210 9.6007 10.2152 10.3095 11.3501 11.5042 11.5146 11.6799 11.7181 11.9492 12.0532 12.1469 13.0540 13.1043 13.8549 13.9470 14.9828 15.1802 15.5522 15.6761 16.9085 17.1228 k = 0.5833-0.0481 0.4763 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9598 -30.9584 -30.9560 -30.9533 -22.1951 -22.1944 -14.6018 -14.5893 -14.5744 -14.5708 4.1161 4.2573 8.9802 9.0583 9.5168 9.5934 10.2042 10.3145 11.3571 11.5020 11.5117 11.6794 11.7330 11.9542 12.0619 12.1442 12.9767 13.0238 13.9106 13.9993 14.9641 15.1815 15.5778 15.7124 16.8540 17.0755 k = 0.5764-0.0441 0.4876 ( 2823 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9598 -30.9585 -30.9560 -30.9532 -22.1951 -22.1944 -14.6017 -14.5890 -14.5749 -14.5708 4.1172 4.2604 8.9947 9.0721 9.5118 9.5848 10.1926 10.3184 11.3662 11.4928 11.5189 11.6777 11.7469 11.9576 12.0733 12.1406 12.9018 12.9442 13.9623 14.0472 14.9463 15.1797 15.6099 15.7514 16.7982 17.0228 k = 0.5694-0.0401 0.4990 ( 2821 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8479 -30.9598 -30.9585 -30.9560 -30.9532 -22.1951 -22.1944 -14.6016 -14.5887 -14.5754 -14.5709 4.1185 4.2636 9.0111 9.0878 9.5060 9.5746 10.1807 10.3211 11.3776 11.4860 11.5268 11.6758 11.7583 11.9589 12.0874 12.1360 12.8305 12.8667 14.0096 14.0901 14.9296 15.1755 15.6474 15.7928 16.7419 16.9665 k = 0.5625-0.0361 0.5103 ( 2817 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8479 -30.9598 -30.9586 -30.9560 -30.9531 -22.1951 -22.1944 -14.6015 -14.5883 -14.5760 -14.5710 4.1199 4.2671 9.0294 9.1054 9.4993 9.5629 10.1684 10.3225 11.3912 11.4818 11.5350 11.6740 11.7663 11.9581 12.1031 12.1307 12.7644 12.7927 14.0525 14.1276 14.9142 15.1699 15.6889 15.8359 16.6856 16.9081 k = 0.5556-0.0321 0.5217 ( 2816 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8479 -30.9598 -30.9586 -30.9560 -30.9531 -22.1951 -22.1944 -14.6014 -14.5879 -14.5766 -14.5711 4.1213 4.2707 9.0493 9.1247 9.4915 9.5495 10.1561 10.3227 11.4069 11.4799 11.5435 11.6728 11.7704 11.9549 12.1164 12.1282 12.7047 12.7232 14.0908 14.1598 14.9003 15.1634 15.7335 15.8800 16.6300 16.8484 k = 0.5486-0.0281 0.5330 ( 2808 PWs) bands (ev): -64.2292 -64.2292 -47.7730 -47.7729 -34.8501 -34.8479 -30.9598 -30.9587 -30.9560 -30.9531 -22.1951 -22.1944 -14.6013 -14.5875 -14.5772 -14.5713 4.1228 4.2742 9.0706 9.1457 9.4825 9.5345 10.1440 10.3218 11.4244 11.4803 11.5522 11.6725 11.7700 11.9489 12.1130 12.1423 12.6525 12.6596 14.1248 14.1866 14.8879 15.1567 15.7800 15.9243 16.5759 16.7885 k = 0.5417-0.0241 0.5443 ( 2814 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8479 -30.9598 -30.9587 -30.9560 -30.9530 -22.1951 -22.1944 -14.6012 -14.5871 -14.5778 -14.5714 4.1243 4.2776 9.0929 9.1682 9.4721 9.5176 10.1324 10.3199 11.4434 11.4823 11.5608 11.6734 11.7652 11.9395 12.1053 12.1603 12.6023 12.6094 14.1543 14.2082 14.8770 15.1502 15.8275 15.9676 16.5241 16.7292 k = 0.5347-0.0200 0.5557 ( 2812 PWs) bands (ev): -64.2293 -64.2292 -47.7730 -47.7729 -34.8502 -34.8479 -30.9597 -30.9588 -30.9560 -30.9530 -22.1952 -22.1944 -14.6011 -14.5866 -14.5784 -14.5716 4.1258 4.2808 9.1159 9.1921 9.4600 9.4993 10.1218 10.3175 11.4631 11.4856 11.5691 11.6758 11.7563 11.9264 12.0979 12.1780 12.5532 12.5744 14.1797 14.2249 14.8678 15.1442 15.8750 16.0084 16.4763 16.6714 k = 0.5278-0.0160 0.5670 ( 2813 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8502 -34.8478 -30.9597 -30.9588 -30.9560 -30.9530 -22.1952 -22.1944 -14.6011 -14.5862 -14.5789 -14.5717 4.1272 4.2837 9.1388 9.2172 9.4458 9.4799 10.1125 10.3147 11.4824 11.4900 11.5766 11.6798 11.7443 11.9098 12.0916 12.1941 12.5126 12.5482 14.2010 14.2372 14.8603 15.1390 15.9215 16.0443 16.4343 16.6163 k = 0.5208-0.0120 0.5784 ( 2811 PWs) bands (ev): -64.2292 -64.2292 -47.7730 -47.7729 -34.8502 -34.8478 -30.9597 -30.9589 -30.9560 -30.9529 -22.1952 -22.1944 -14.6010 -14.5858 -14.5794 -14.5718 4.1284 4.2862 9.1607 9.2431 9.4291 9.4607 10.1048 10.3120 11.4922 11.5030 11.5830 11.6848 11.7310 11.8913 12.0870 12.2077 12.4812 12.5298 14.2184 14.2453 14.8543 15.1347 15.9655 16.0717 16.4012 16.5658 k = 0.5139-0.0080 0.5897 ( 2815 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8502 -34.8478 -30.9597 -30.9589 -30.9560 -30.9529 -22.1952 -22.1945 -14.6010 -14.5855 -14.5798 -14.5719 4.1293 4.2881 9.1799 9.2690 9.4096 9.4440 10.0991 10.3096 11.4958 11.5186 11.5885 11.6881 11.7203 11.8734 12.0839 12.2177 12.4595 12.5181 14.2319 14.2497 14.8500 15.1316 16.0053 16.0868 16.3802 16.5229 k = 0.5069-0.0040 0.6010 ( 2823 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8502 -34.8478 -30.9597 -30.9589 -30.9560 -30.9529 -22.1952 -22.1945 -14.6010 -14.5852 -14.5801 -14.5720 4.1299 4.2893 9.1938 9.2923 9.3897 9.4320 10.0955 10.3080 11.4981 11.5291 11.5929 11.6863 11.7165 11.8600 12.0822 12.2236 12.4473 12.5119 14.2413 14.2507 14.8474 15.1296 16.0375 16.0880 16.3713 16.4924 k = 0.5000 0.0000 0.6124 ( 2832 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8502 -34.8478 -30.9597 -30.9589 -30.9560 -30.9529 -22.1952 -22.1945 -14.6010 -14.5852 -14.5803 -14.5720 4.1302 4.2898 9.1991 9.3039 9.3791 9.4275 10.0943 10.3073 11.4990 11.5327 11.5949 11.6840 11.7165 11.8548 12.0817 12.2254 12.4435 12.5100 14.2455 14.2499 14.8465 15.1289 16.0524 16.0839 16.3695 16.4812 k = 0.5000 0.0000 0.6124 ( 2832 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8502 -34.8478 -30.9597 -30.9589 -30.9560 -30.9529 -22.1952 -22.1945 -14.6010 -14.5852 -14.5803 -14.5720 4.1302 4.2898 9.1991 9.3039 9.3791 9.4275 10.0943 10.3073 11.4990 11.5327 11.5949 11.6840 11.7165 11.8548 12.0817 12.2254 12.4435 12.5100 14.2455 14.2499 14.8465 15.1289 16.0524 16.0839 16.3695 16.4812 k = 0.5000 0.0080 0.6010 ( 2824 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8502 -34.8478 -30.9597 -30.9589 -30.9560 -30.9529 -22.1952 -22.1945 -14.6010 -14.5851 -14.5802 -14.5720 4.1297 4.2892 9.1961 9.3039 9.3761 9.4274 10.0940 10.3064 11.4971 11.5265 11.5907 11.6878 11.7192 11.8681 12.0809 12.2214 12.4504 12.5139 14.2427 14.2550 14.8469 15.1289 16.0281 16.0880 16.3739 16.5019 k = 0.5000 0.0160 0.5897 ( 2814 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8502 -34.8478 -30.9597 -30.9589 -30.9560 -30.9529 -22.1952 -22.1944 -14.6010 -14.5851 -14.5801 -14.5719 4.1284 4.2876 9.1870 9.3036 9.3678 9.4275 10.0931 10.3035 11.4907 11.5112 11.5823 11.6853 11.7379 11.9031 12.0786 12.2117 12.4692 12.5252 14.2406 14.2637 14.8480 15.1287 15.9843 16.0742 16.3962 16.5513 k = 0.5000 0.0241 0.5784 ( 2810 PWs) bands (ev): -64.2292 -64.2292 -47.7730 -47.7729 -34.8502 -34.8478 -30.9597 -30.9588 -30.9560 -30.9529 -22.1952 -22.1944 -14.6009 -14.5851 -14.5799 -14.5718 4.1262 4.2850 9.1717 9.3009 9.3563 9.4283 10.0911 10.2985 11.4785 11.4945 11.5737 11.6775 11.7664 11.9518 12.0748 12.2026 12.4963 12.5434 14.2406 14.2745 14.8499 15.1283 15.9359 16.0397 16.4391 16.6148 k = 0.5000 0.0321 0.5670 ( 2814 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8502 -34.8478 -30.9597 -30.9588 -30.9560 -30.9530 -22.1951 -22.1944 -14.6009 -14.5852 -14.5796 -14.5716 4.1232 4.2813 9.1503 9.2913 9.3468 9.4305 10.0877 10.2913 11.4604 11.4818 11.5653 11.6703 11.7930 12.0088 12.0691 12.2023 12.5286 12.5683 14.2430 14.2871 14.8526 15.1278 15.8871 15.9942 16.4953 16.6855 k = 0.5000 0.0401 0.5557 ( 2810 PWs) bands (ev): -64.2292 -64.2292 -47.7730 -47.7729 -34.8502 -34.8478 -30.9598 -30.9587 -30.9560 -30.9530 -22.1951 -22.1944 -14.6009 -14.5852 -14.5792 -14.5714 4.1194 4.2765 9.1232 9.2704 9.3441 9.4346 10.0825 10.2817 11.4416 11.4712 11.5576 11.6648 11.8115 12.0470 12.0837 12.2194 12.5642 12.5993 14.2478 14.3014 14.8562 15.1269 15.8398 15.9443 16.5591 16.7603 k = 0.5000 0.0481 0.5443 ( 2812 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8502 -34.8478 -30.9598 -30.9587 -30.9560 -30.9530 -22.1951 -22.1943 -14.6009 -14.5853 -14.5787 -14.5712 4.1148 4.2708 9.0911 9.2402 9.3472 9.4408 10.0751 10.2697 11.4249 11.4619 11.5501 11.6606 11.8191 12.0323 12.1506 12.2576 12.6016 12.6359 14.2552 14.3172 14.8608 15.1256 15.7952 15.8937 16.6271 16.8375 k = 0.5000 0.0561 0.5330 ( 2816 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8502 -34.8479 -30.9598 -30.9586 -30.9560 -30.9531 -22.1950 -22.1943 -14.6008 -14.5854 -14.5782 -14.5709 4.1094 4.2641 9.0547 9.2037 9.3536 9.4492 10.0653 10.2552 11.4110 11.4539 11.5427 11.6573 11.8162 12.0098 12.2258 12.3146 12.6408 12.6773 14.2650 14.3343 14.8664 15.1238 15.7540 15.8442 16.6974 16.9161 k = 0.5000 0.0642 0.5217 ( 2816 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8502 -34.8479 -30.9598 -30.9585 -30.9560 -30.9531 -22.1950 -22.1943 -14.6008 -14.5856 -14.5775 -14.5706 4.1034 4.2565 9.0150 9.1631 9.3621 9.4595 10.0530 10.2384 11.3999 11.4474 11.5355 11.6547 11.8054 11.9847 12.3055 12.3859 12.6819 12.7225 14.2775 14.3524 14.8731 15.1216 15.7167 15.7969 16.7687 16.9951 k = 0.5000 0.0722 0.5103 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8479 -30.9598 -30.9585 -30.9560 -30.9532 -22.1949 -22.1942 -14.6007 -14.5858 -14.5768 -14.5703 4.0967 4.2479 8.9729 9.1195 9.3721 9.4715 10.0384 10.2194 11.3916 11.4421 11.5282 11.6524 11.7888 11.9584 12.3892 12.4672 12.7253 12.7708 14.2924 14.3712 14.8812 15.1190 15.6835 15.7523 16.8401 17.0738 k = 0.5000 0.0802 0.4990 ( 2814 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8479 -30.9597 -30.9584 -30.9560 -30.9532 -22.1949 -22.1942 -14.6007 -14.5860 -14.5760 -14.5698 4.0895 4.2386 8.9292 9.0738 9.3834 9.4850 10.0216 10.1985 11.3856 11.4379 11.5209 11.6505 11.7685 11.9318 12.4764 12.5553 12.7714 12.8221 14.3099 14.3902 14.8908 15.1162 15.6547 15.7111 16.9110 17.1516 k = 0.5000 0.0882 0.4876 ( 2814 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8479 -30.9597 -30.9583 -30.9560 -30.9533 -22.1948 -22.1941 -14.6006 -14.5863 -14.5751 -14.5694 4.0818 4.2285 8.8846 9.0268 9.3957 9.4995 10.0030 10.1759 11.3814 11.4345 11.5136 11.6488 11.7455 11.9053 12.5663 12.6473 12.8208 12.8761 14.3297 14.4093 14.9019 15.1135 15.6299 15.6736 16.9804 17.2278 k = 0.5000 0.0962 0.4763 ( 2808 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8479 -30.9597 -30.9582 -30.9559 -30.9533 -22.1947 -22.1940 -14.6005 -14.5866 -14.5741 -14.5688 4.0737 4.2177 8.8396 8.9791 9.4089 9.5149 9.9830 10.1521 11.3786 11.4316 11.5063 11.6472 11.7209 11.8793 12.6578 12.7403 12.8752 12.9332 14.3517 14.4279 14.9145 15.1117 15.6083 15.6408 17.0479 17.3018 k = 0.5000 0.1042 0.4649 ( 2818 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8479 -30.9597 -30.9581 -30.9560 -30.9534 -22.1947 -22.1940 -14.6004 -14.5869 -14.5732 -14.5683 4.0652 4.2062 8.7947 8.9312 9.4227 9.5308 9.9620 10.1272 11.3767 11.4289 11.4990 11.6455 11.6951 11.8540 12.7496 12.8297 12.9377 12.9938 14.3757 14.4458 14.9285 15.1116 15.5877 15.6148 17.1126 17.3728 k = 0.5000 0.1123 0.4536 ( 2814 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9596 -30.9580 -30.9559 -30.9535 -22.1946 -22.1939 -14.6003 -14.5873 -14.5721 -14.5678 4.0564 4.1941 8.7505 8.8835 9.4370 9.5471 9.9404 10.1018 11.3752 11.4264 11.4920 11.6437 11.6692 11.8298 12.8401 12.9094 13.0137 13.0586 14.4016 14.4629 14.9433 15.1145 15.5655 15.5979 17.1741 17.4403 k = 0.5000 0.1203 0.4423 ( 2824 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9596 -30.9579 -30.9560 -30.9536 -22.1945 -22.1939 -14.6003 -14.5877 -14.5711 -14.5672 4.0475 4.1816 8.7071 8.8363 9.4517 9.5632 9.9186 10.0760 11.3738 11.4238 11.4851 11.6387 11.6460 11.8066 12.9272 12.9782 13.1036 13.1285 14.4287 14.4793 14.9584 15.1218 15.5430 15.5883 17.2315 17.5035 k = 0.5000 0.1283 0.4309 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9595 -30.9579 -30.9560 -30.9537 -22.1945 -22.1938 -14.6002 -14.5881 -14.5701 -14.5666 4.0384 4.1686 8.6651 8.7901 9.4665 9.5790 9.8970 10.0501 11.3721 11.4211 11.4784 11.6153 11.6411 11.7848 13.0091 13.0414 13.2004 13.2048 14.4566 14.4956 14.9730 15.1350 15.5221 15.5837 17.2843 17.5618 k = 0.5000 0.1363 0.4196 ( 2832 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8481 -30.9594 -30.9578 -30.9560 -30.9538 -22.1944 -22.1938 -14.6001 -14.5885 -14.5690 -14.5659 4.0293 4.1553 8.6245 8.7451 9.4812 9.5942 9.8762 10.0246 11.3700 11.4181 11.4720 11.5897 11.6387 11.7646 13.0839 13.1047 13.2840 13.3022 14.4839 14.5135 14.9869 15.1546 15.5036 15.5827 17.3319 17.6146 k = 0.5000 0.1443 0.4082 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8481 -30.9593 -30.9577 -30.9560 -30.9539 -22.1943 -22.1937 -14.6000 -14.5889 -14.5679 -14.5652 4.0203 4.1418 8.5856 8.7015 9.4959 9.6084 9.8563 9.9995 11.3675 11.4149 11.4659 11.5648 11.6360 11.7463 13.1506 13.1713 13.3680 13.4024 14.5081 14.5359 15.0007 15.1806 15.4878 15.5845 17.3738 17.6612 k = 0.5000 0.1524 0.3969 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8499 -34.8481 -30.9592 -30.9576 -30.9560 -30.9540 -22.1942 -22.1936 -14.5999 -14.5894 -14.5669 -14.5645 4.0115 4.1281 8.5486 8.6594 9.5101 9.6212 9.8380 9.9751 11.3646 11.4112 11.4598 11.5407 11.6330 11.7299 13.2130 13.2393 13.4529 13.5001 14.5286 14.5643 15.0154 15.2119 15.4746 15.5888 17.4092 17.7008 k = 0.5000 0.1604 0.3856 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8499 -34.8482 -30.9591 -30.9575 -30.9560 -30.9541 -22.1941 -22.1936 -14.5997 -14.5898 -14.5658 -14.5638 4.0028 4.1143 8.5136 8.6191 9.5238 9.6321 9.8215 9.9517 11.3613 11.4071 11.4538 11.5177 11.6297 11.7155 13.2747 13.3064 13.5364 13.5936 14.5486 14.5967 15.0318 15.2473 15.4642 15.5951 17.4379 17.7323 k = 0.5000 0.1684 0.3742 ( 2820 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8498 -34.8482 -30.9590 -30.9575 -30.9560 -30.9542 -22.1940 -22.1935 -14.5996 -14.5903 -14.5648 -14.5631 3.9945 4.1005 8.4806 8.5806 9.5368 9.6408 9.8075 9.9294 11.3577 11.4025 11.4475 11.4959 11.6260 11.7032 13.3366 13.3726 13.6163 13.6810 14.5711 14.6316 15.0508 15.2851 15.4569 15.6032 17.4595 17.7522 k = 0.5000 0.1764 0.3629 ( 2820 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8498 -34.8482 -30.9589 -30.9574 -30.9560 -30.9543 -22.1940 -22.1934 -14.5995 -14.5907 -14.5638 -14.5624 3.9866 4.0869 8.4499 8.5442 9.5491 9.6467 9.7964 9.9083 11.3541 11.3977 11.4409 11.4755 11.6223 11.6927 13.3990 13.4380 13.6906 13.7606 14.5978 14.6689 15.0728 15.3230 15.4540 15.6128 17.4736 17.7513 k = 0.5000 0.1844 0.3515 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8498 -34.8483 -30.9588 -30.9573 -30.9560 -30.9545 -22.1939 -22.1934 -14.5993 -14.5912 -14.5629 -14.5617 3.9791 4.0734 8.4214 8.5097 9.5603 9.6495 9.7883 9.8885 11.3505 11.3926 11.4339 11.4566 11.6187 11.6838 13.4618 13.5027 13.7580 13.8307 14.6299 14.7083 15.0976 15.3572 15.4581 15.6237 17.4803 17.7307 k = 0.5000 0.1925 0.3402 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8497 -34.8483 -30.9586 -30.9572 -30.9560 -30.9546 -22.1938 -22.1934 -14.5992 -14.5916 -14.5620 -14.5611 3.9722 4.0602 8.3952 8.4774 9.5704 9.6495 9.7833 9.8704 11.3471 11.3874 11.4263 11.4396 11.6155 11.6763 13.5247 13.5666 13.8174 13.8903 14.6679 14.7499 15.1250 15.3817 15.4744 15.6358 17.4796 17.7027 k = 0.5000 0.2005 0.3289 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8497 -34.8484 -30.9585 -30.9571 -30.9560 -30.9547 -22.1937 -22.1933 -14.5990 -14.5921 -14.5611 -14.5604 3.9658 4.0474 8.3714 8.4473 9.5794 9.6470 9.7809 9.8539 11.3440 11.3822 11.4177 11.4248 11.6129 11.6697 13.5877 13.6295 13.8685 13.9390 14.7113 14.7932 15.1543 15.3944 15.5043 15.6490 17.4722 17.6719 k = 0.5000 0.2085 0.3175 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8496 -34.8484 -30.9583 -30.9571 -30.9561 -30.9549 -22.1937 -22.1933 -14.5989 -14.5925 -14.5603 -14.5598 3.9602 4.0351 8.3499 8.4193 9.5871 9.6429 9.7804 9.8391 11.3414 11.3770 11.4069 11.4137 11.6109 11.6639 13.6499 13.6909 13.9115 13.9775 14.7586 14.8372 15.1849 15.4006 15.5419 15.6631 17.4592 17.6401 k = 0.5000 0.2165 0.3062 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8496 -34.8485 -30.9582 -30.9570 -30.9561 -30.9550 -22.1936 -22.1932 -14.5987 -14.5930 -14.5596 -14.5592 3.9553 4.0233 8.3308 8.3936 9.5935 9.6379 9.7809 9.8262 11.3393 11.3720 11.3953 11.4049 11.6096 11.6586 13.7111 13.7504 13.9468 14.0068 14.8078 14.8805 15.2160 15.4047 15.5818 15.6781 17.4425 17.6083 k = 0.5000 0.2245 0.2948 ( 2828 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8495 -34.8485 -30.9580 -30.9569 -30.9561 -30.9552 -22.1935 -22.1932 -14.5985 -14.5934 -14.5589 -14.5586 3.9512 4.0121 8.3141 8.3702 9.5984 9.6326 9.7819 9.8152 11.3378 11.3672 11.3847 11.3969 11.6090 11.6537 13.7703 13.8072 13.9755 14.0284 14.8563 14.9217 15.2468 15.4089 15.6212 15.6938 17.4248 17.5777 k = 0.5000 0.2325 0.2835 ( 2828 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8495 -34.8486 -30.9579 -30.9569 -30.9561 -30.9554 -22.1935 -22.1932 -14.5983 -14.5938 -14.5583 -14.5581 3.9479 4.0015 8.2998 8.3491 9.6021 9.6276 9.7830 9.8060 11.3369 11.3627 11.3755 11.3892 11.6090 11.6491 13.8268 13.8605 13.9987 14.0441 14.9017 14.9592 15.2765 15.4137 15.6585 15.7100 17.4089 17.5495 k = 0.5000 0.2406 0.2722 ( 2828 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8494 -34.8487 -30.9577 -30.9568 -30.9562 -30.9555 -22.1934 -22.1932 -14.5981 -14.5943 -14.5578 -14.5577 3.9455 3.9917 8.2879 8.3304 9.6045 9.6232 9.7838 9.7987 11.3366 11.3586 11.3678 11.3819 11.6095 11.6446 13.8794 13.9091 14.0176 14.0552 14.9421 14.9915 15.3048 15.4192 15.6924 15.7264 17.3978 17.5254 k = 0.5000 0.2486 0.2608 ( 2832 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8493 -34.8487 -30.9575 -30.9567 -30.9562 -30.9557 -22.1933 -22.1931 -14.5979 -14.5947 -14.5574 -14.5573 3.9440 3.9827 8.2784 8.3139 9.6059 9.6194 9.7844 9.7932 11.3370 11.3550 11.3614 11.3751 11.6106 11.6403 13.9269 13.9515 14.0336 14.0631 14.9764 15.0177 15.3312 15.4247 15.7221 15.7425 17.3939 17.5074 k = 0.5000 0.2566 0.2495 ( 2828 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8493 -34.8488 -30.9573 -30.9567 -30.9562 -30.9559 -22.1933 -22.1931 -14.5976 -14.5951 -14.5570 -14.5569 3.9434 3.9746 8.2713 8.2997 9.6066 9.6163 9.7846 9.7892 11.3380 11.3519 11.3564 11.3687 11.6121 11.6363 13.9678 13.9860 14.0481 14.0690 15.0044 15.0374 15.3554 15.4293 15.7468 15.7575 17.3989 17.4970 k = 0.5000 0.2646 0.2381 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8492 -34.8488 -30.9572 -30.9566 -30.9563 -30.9560 -22.1933 -22.1931 -14.5974 -14.5954 -14.5567 -14.5567 3.9439 3.9673 8.2666 8.2879 9.6069 9.6137 9.7845 9.7865 11.3397 11.3494 11.3525 11.3628 11.6140 11.6324 14.0002 14.0107 14.0623 14.0741 15.0260 15.0507 15.3770 15.4319 15.7661 15.7707 17.4136 17.4953 k = 0.5000 0.2726 0.2268 ( 2820 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8492 -34.8489 -30.9570 -30.9566 -30.9563 -30.9562 -22.1932 -22.1931 -14.5971 -14.5958 -14.5565 -14.5565 3.9453 3.9610 8.2642 8.2785 9.6073 9.6117 9.7844 9.7849 11.3420 11.3478 11.3497 11.3576 11.6164 11.6287 14.0223 14.0261 14.0754 14.0796 15.0419 15.0583 15.3955 15.4319 15.7797 15.7811 17.4378 17.5028 k = 0.5000 0.2807 0.2155 ( 2824 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8491 -34.8490 -30.9568 -30.9566 -30.9564 -30.9563 -22.1932 -22.1931 -14.5968 -14.5961 -14.5564 -14.5564 3.9477 3.9556 8.2642 8.2714 9.6078 9.6100 9.7841 9.7842 11.3449 11.3468 11.3480 11.3528 11.6190 11.6252 14.0337 14.0344 14.0845 14.0851 15.0527 15.0609 15.4104 15.4285 15.7877 15.7878 17.4701 17.5180 k = 0.5000 0.2887 0.2041 ( 2824 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8490 -34.8490 -30.9567 -30.9567 -30.9564 -30.9564 -22.1932 -22.1932 -14.5965 -14.5965 -14.5563 -14.5563 3.9511 3.9511 8.2666 8.2666 9.6087 9.6087 9.7839 9.7839 11.3467 11.3467 11.3488 11.3488 11.6220 11.6220 14.0370 14.0370 14.0876 14.0876 15.0590 15.0590 15.4214 15.4214 15.7902 15.7902 17.5075 17.5075 k = 0.5000 0.2887 0.2041 ( 2824 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8490 -34.8490 -30.9567 -30.9567 -30.9564 -30.9564 -22.1932 -22.1932 -14.5965 -14.5965 -14.5563 -14.5563 3.9511 3.9511 8.2666 8.2666 9.6087 9.6087 9.7839 9.7839 11.3467 11.3467 11.3488 11.3488 11.6220 11.6220 14.0370 14.0370 14.0876 14.0876 15.0590 15.0590 15.4214 15.4214 15.7902 15.7902 17.5075 17.5075 k = 0.4960 0.2863 0.2173 ( 2824 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8491 -34.8490 -30.9568 -30.9566 -30.9564 -30.9563 -22.1932 -22.1931 -14.5968 -14.5961 -14.5564 -14.5564 3.9477 3.9556 8.2642 8.2714 9.6078 9.6100 9.7841 9.7841 11.3449 11.3468 11.3480 11.3529 11.6190 11.6253 14.0338 14.0342 14.0847 14.0848 15.0527 15.0609 15.4103 15.4285 15.7877 15.7878 17.4699 17.5179 k = 0.4919 0.2840 0.2305 ( 2820 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8492 -34.8489 -30.9570 -30.9566 -30.9563 -30.9562 -22.1932 -22.1931 -14.5971 -14.5958 -14.5565 -14.5565 3.9453 3.9610 8.2642 8.2786 9.6073 9.6117 9.7847 9.7847 11.3420 11.3478 11.3497 11.3576 11.6164 11.6288 14.0238 14.0241 14.0771 14.0779 15.0418 15.0582 15.3954 15.4318 15.7800 15.7806 17.4375 17.5027 k = 0.4879 0.2817 0.2436 ( 2825 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8492 -34.8488 -30.9572 -30.9566 -30.9563 -30.9560 -22.1932 -22.1931 -14.5974 -14.5954 -14.5567 -14.5567 3.9439 3.9674 8.2666 8.2881 9.6071 9.6137 9.7855 9.7856 11.3397 11.3496 11.3525 11.3630 11.6140 11.6325 14.0040 14.0046 14.0677 14.0700 15.0258 15.0503 15.3769 15.4317 15.7671 15.7692 17.4134 17.4953 k = 0.4839 0.2794 0.2568 ( 2827 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8493 -34.8488 -30.9573 -30.9567 -30.9562 -30.9559 -22.1933 -22.1931 -14.5976 -14.5951 -14.5570 -14.5570 3.9434 3.9747 8.2714 8.3000 9.6071 9.6159 9.7869 9.7870 11.3380 11.3523 11.3561 11.3688 11.6121 11.6363 13.9732 13.9749 14.0585 14.0626 15.0041 15.0361 15.3560 15.4282 15.7495 15.7542 17.3990 17.4972 k = 0.4798 0.2770 0.2700 ( 2833 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8494 -34.8487 -30.9575 -30.9567 -30.9562 -30.9557 -22.1934 -22.1931 -14.5979 -14.5947 -14.5574 -14.5573 3.9440 3.9830 8.2786 8.3143 9.6071 9.6181 9.7888 9.7890 11.3370 11.3560 11.3606 11.3752 11.6106 11.6404 13.9328 13.9351 14.0497 14.0556 14.9762 15.0141 15.3337 15.4216 15.7279 15.7362 17.3948 17.5082 k = 0.4758 0.2747 0.2831 ( 2835 PWs) bands (ev): -64.2294 -64.2293 -47.7730 -47.7730 -34.8494 -34.8487 -30.9577 -30.9568 -30.9562 -30.9555 -22.1934 -22.1932 -14.5981 -14.5943 -14.5578 -14.5577 3.9455 3.9921 8.2883 8.3310 9.6071 9.6202 9.7913 9.7917 11.3368 11.3605 11.3661 11.3820 11.6096 11.6446 13.8843 13.8869 14.0407 14.0483 14.9419 14.9830 15.3116 15.4119 15.7034 15.7160 17.4001 17.5269 k = 0.4718 0.2724 0.2963 ( 2833 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8495 -34.8486 -30.9579 -30.9569 -30.9561 -30.9554 -22.1935 -22.1932 -14.5983 -14.5938 -14.5583 -14.5582 3.9480 4.0019 8.3003 8.3499 9.6069 9.6220 9.7947 9.7954 11.3374 11.3661 11.3725 11.3891 11.6092 11.6488 13.8292 13.8315 14.0310 14.0402 14.9012 14.9420 15.2908 15.3988 15.6774 15.6944 17.4137 17.5515 k = 0.4677 0.2701 0.3095 ( 2835 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8495 -34.8486 -30.9580 -30.9569 -30.9561 -30.9552 -22.1935 -22.1932 -14.5985 -14.5934 -14.5589 -14.5587 3.9513 4.0125 8.3148 8.3712 9.6061 9.6231 9.7990 9.8001 11.3389 11.3727 11.3796 11.3964 11.6095 11.6532 13.7685 13.7699 14.0204 14.0311 14.8546 14.8914 15.2717 15.3821 15.6516 15.6720 17.4336 17.5792 k = 0.4637 0.2677 0.3226 ( 2831 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8496 -34.8485 -30.9582 -30.9570 -30.9561 -30.9550 -22.1936 -22.1932 -14.5987 -14.5930 -14.5595 -14.5593 3.9555 4.0238 8.3317 8.3949 9.6046 9.6235 9.8045 9.8062 11.3413 11.3804 11.3876 11.4037 11.6107 11.6575 13.7028 13.7030 14.0086 14.0209 14.8026 14.8323 15.2541 15.3615 15.6274 15.6496 17.4576 17.6071 k = 0.4597 0.2654 0.3358 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8496 -34.8484 -30.9583 -30.9571 -30.9561 -30.9549 -22.1937 -22.1933 -14.5989 -14.5925 -14.5603 -14.5599 3.9605 4.0357 8.3510 8.4207 9.6022 9.6227 9.8112 9.8136 11.3446 11.3891 11.3963 11.4109 11.6129 11.6618 13.6310 13.6336 13.9955 14.0094 14.7462 14.7664 15.2375 15.3370 15.6059 15.6278 17.4832 17.6324 k = 0.4556 0.2631 0.3490 ( 2828 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8497 -34.8484 -30.9585 -30.9571 -30.9560 -30.9547 -22.1937 -22.1933 -14.5991 -14.5921 -14.5610 -14.5606 3.9663 4.0481 8.3727 8.4489 9.5987 9.6207 9.8193 9.8227 11.3489 11.3989 11.4057 11.4176 11.6163 11.6661 13.5549 13.5608 13.9810 13.9965 14.6863 14.6954 15.2214 15.3092 15.5877 15.6071 17.5084 17.6529 k = 0.4516 0.2607 0.3622 ( 2828 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8497 -34.8483 -30.9586 -30.9572 -30.9560 -30.9546 -22.1938 -22.1934 -14.5992 -14.5916 -14.5618 -14.5613 3.9727 4.0610 8.3967 8.4792 9.5940 9.6173 9.8289 9.8334 11.3543 11.4095 11.4157 11.4239 11.6210 11.6702 13.4751 13.4849 13.9651 13.9823 14.6211 14.6241 15.2052 15.2788 15.5728 15.5878 17.5314 17.6676 k = 0.4476 0.2584 0.3753 ( 2827 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7730 -34.8498 -34.8483 -30.9588 -30.9573 -30.9560 -30.9545 -22.1939 -22.1934 -14.5994 -14.5912 -14.5627 -14.5620 3.9797 4.0741 8.4230 8.5116 9.5879 9.6125 9.8400 9.8458 11.3607 11.4202 11.4262 11.4302 11.6272 11.6741 13.3920 13.4066 13.9477 13.9665 14.5450 14.5606 15.1889 15.2468 15.5607 15.5702 17.5508 17.6762 k = 0.4435 0.2561 0.3885 ( 2821 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8498 -34.8482 -30.9589 -30.9573 -30.9560 -30.9543 -22.1940 -22.1935 -14.5995 -14.5907 -14.5636 -14.5627 3.9873 4.0876 8.4516 8.5461 9.5806 9.6062 9.8528 9.8599 11.3681 11.4283 11.4371 11.4390 11.6352 11.6779 13.3060 13.3261 13.9288 13.9492 14.4686 14.4968 15.1724 15.2143 15.5511 15.5544 17.5656 17.6787 k = 0.4395 0.2538 0.4017 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8498 -34.8482 -30.9590 -30.9574 -30.9560 -30.9542 -22.1941 -22.1935 -14.5997 -14.5903 -14.5645 -14.5635 3.9954 4.1011 8.4823 8.5825 9.5721 9.5986 9.8670 9.8755 11.3764 11.4321 11.4482 11.4517 11.6447 11.6813 13.2177 13.2437 13.9082 13.9303 14.3928 14.4336 15.1559 15.1822 15.5404 15.5433 17.5754 17.6752 k = 0.4355 0.2514 0.4148 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8499 -34.8482 -30.9591 -30.9575 -30.9560 -30.9541 -22.1941 -22.1936 -14.5998 -14.5898 -14.5654 -14.5642 4.0038 4.1147 8.5151 8.6206 9.5623 9.5898 9.8828 9.8928 11.3856 11.4335 11.4596 11.4661 11.6561 11.6845 13.1275 13.1600 13.8861 13.9099 14.3188 14.3716 15.1398 15.1512 15.5282 15.5371 17.5800 17.6660 k = 0.4315 0.2491 0.4280 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8499 -34.8481 -30.9593 -30.9576 -30.9560 -30.9540 -22.1942 -22.1936 -14.5999 -14.5894 -14.5664 -14.5649 4.0125 4.1283 8.5497 8.6603 9.5515 9.5800 9.9000 9.9115 11.3955 11.4333 11.4710 11.4815 11.6691 11.6873 13.0361 13.0754 13.8623 13.8878 14.2472 14.3115 15.1221 15.1242 15.5177 15.5320 17.5794 17.6512 k = 0.4274 0.2468 0.4412 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8499 -34.8481 -30.9594 -30.9576 -30.9559 -30.9539 -22.1943 -22.1937 -14.6001 -14.5891 -14.5673 -14.5657 4.0215 4.1417 8.5861 8.7013 9.5399 9.5692 9.9186 9.9316 11.4060 11.4316 11.4824 11.4973 11.6836 11.6897 12.9440 12.9904 13.8370 13.8640 14.1785 14.2535 15.0952 15.1098 15.5087 15.5279 17.5738 17.6311 k = 0.4234 0.2444 0.4543 ( 2824 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8481 -30.9595 -30.9577 -30.9559 -30.9538 -22.1944 -22.1938 -14.6002 -14.5887 -14.5682 -14.5664 4.0306 4.1548 8.6239 8.7433 9.5276 9.5578 9.9385 9.9529 11.4170 11.4285 11.4935 11.5134 11.6918 11.6996 12.8520 12.9055 13.8100 13.8386 14.1133 14.1981 15.0709 15.0967 15.5011 15.5245 17.5636 17.6060 k = 0.4194 0.2421 0.4675 ( 2824 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9595 -30.9578 -30.9559 -30.9537 -22.1945 -22.1938 -14.6004 -14.5884 -14.5691 -14.5670 4.0397 4.1675 8.6628 8.7859 9.5149 9.5462 9.9596 9.9755 11.4241 11.4281 11.5044 11.5294 11.6935 11.7169 12.7608 12.8214 13.7815 13.8116 14.0517 14.1452 15.0497 15.0855 15.4948 15.5219 17.5490 17.5763 k = 0.4153 0.2398 0.4807 ( 2824 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9596 -30.9578 -30.9559 -30.9537 -22.1945 -22.1939 -14.6006 -14.5882 -14.5699 -14.5676 4.0487 4.1796 8.7024 8.8285 9.5022 9.5348 9.9819 9.9992 11.4187 11.4391 11.5147 11.5450 11.6948 11.7354 12.6710 12.7389 13.7514 13.7829 13.9940 14.0951 15.0317 15.0764 15.4897 15.5200 17.5304 17.5423 k = 0.4113 0.2375 0.4938 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9597 -30.9579 -30.9559 -30.9536 -22.1946 -22.1940 -14.6007 -14.5880 -14.5707 -14.5682 4.0576 4.1912 8.7421 8.8704 9.4898 9.5240 10.0052 10.0239 11.4122 11.4498 11.5246 11.5599 11.6958 11.7549 12.5835 12.6586 13.7197 13.7526 13.9400 14.0476 15.0171 15.0696 15.4859 15.5187 17.5045 17.5082 k = 0.4073 0.2351 0.5070 ( 2828 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9597 -30.9579 -30.9559 -30.9535 -22.1947 -22.1940 -14.6009 -14.5879 -14.5713 -14.5688 4.0662 4.2020 8.7813 8.9107 9.4784 9.5147 10.0296 10.0496 11.4049 11.4598 11.5339 11.5737 11.6965 11.7754 12.4990 12.5813 13.6865 13.7206 13.8898 14.0027 15.0062 15.0655 15.4832 15.5182 17.4636 17.4827 k = 0.4032 0.2328 0.5202 ( 2827 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9598 -30.9580 -30.9559 -30.9535 -22.1948 -22.1941 -14.6011 -14.5879 -14.5719 -14.5692 4.0745 4.2120 8.8190 8.9482 9.4686 9.5078 10.0549 10.0762 11.3969 11.4687 11.5427 11.5862 11.6972 11.7968 12.4183 12.5078 13.6518 13.6871 13.8433 13.9603 14.9990 15.0643 15.4819 15.5186 17.4200 17.4544 k = 0.3992 0.2305 0.5334 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9598 -30.9580 -30.9559 -30.9535 -22.1948 -22.1941 -14.6013 -14.5880 -14.5723 -14.5696 4.0823 4.2210 8.8542 8.9814 9.4614 9.5046 10.0811 10.1036 11.3883 11.4762 11.5510 11.5970 11.6977 11.8188 12.3421 12.4387 13.6156 13.6518 13.8003 13.9203 14.9957 15.0659 15.4821 15.5199 17.3745 17.4234 k = 0.3952 0.2281 0.5465 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9599 -30.9581 -30.9559 -30.9534 -22.1949 -22.1942 -14.6014 -14.5881 -14.5726 -14.5700 4.0895 4.2288 8.8855 9.0086 9.4578 9.5064 10.1081 10.1319 11.3793 11.4820 11.5587 11.6059 11.6982 11.8412 12.2711 12.3749 13.5777 13.6148 13.7606 13.8824 14.9962 15.0707 15.4837 15.5224 17.3275 17.3903 k = 0.3911 0.2258 0.5597 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9599 -30.9581 -30.9559 -30.9534 -22.1949 -22.1943 -14.6016 -14.5884 -14.5729 -14.5703 4.0960 4.2355 8.9113 9.0282 9.4592 9.5147 10.1359 10.1607 11.3702 11.4859 11.5661 11.6127 11.6988 11.8637 12.2061 12.3167 13.5382 13.5760 13.7240 13.8464 15.0007 15.0786 15.4872 15.5264 17.2799 17.3553 k = 0.3871 0.2235 0.5729 ( 2834 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9599 -30.9582 -30.9560 -30.9534 -22.1950 -22.1943 -14.6018 -14.5888 -14.5730 -14.5705 4.1017 4.2409 8.9303 9.0389 9.4666 9.5302 10.1644 10.1903 11.3612 11.4880 11.5731 11.6171 11.6993 11.8858 12.1480 12.2649 13.4970 13.5353 13.6901 13.8122 15.0092 15.0897 15.4927 15.5321 17.2323 17.3190 k = 0.3831 0.2212 0.5860 ( 2830 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9599 -30.9582 -30.9559 -30.9534 -22.1950 -22.1943 -14.6019 -14.5892 -14.5729 -14.5707 4.1065 4.2449 8.9414 9.0406 9.4810 9.5530 10.1936 10.2205 11.3526 11.4885 11.5797 11.6192 11.6997 11.9065 12.0982 12.2200 13.4542 13.4927 13.6587 13.7794 15.0217 15.1040 15.5004 15.5399 17.1852 17.2819 k = 0.3790 0.2188 0.5992 ( 2836 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8501 -34.8480 -30.9599 -30.9583 -30.9560 -30.9534 -22.1950 -22.1944 -14.6020 -14.5896 -14.5729 -14.5708 4.1102 4.2473 8.9441 9.0336 9.5025 9.5824 10.2234 10.2512 11.3448 11.4878 11.5858 11.6188 11.6996 11.9227 12.0597 12.1822 13.4094 13.4482 13.6293 13.7478 15.0380 15.1216 15.5108 15.5501 17.1394 17.2447 k = 0.3750 0.2165 0.6124 ( 2838 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9599 -30.9583 -30.9559 -30.9534 -22.1951 -22.1944 -14.6021 -14.5901 -14.5727 -14.5709 4.1129 4.2481 8.9388 9.0192 9.5305 9.6170 10.2538 10.2824 11.3380 11.4863 11.5915 11.6161 11.6989 11.9282 12.0387 12.1519 13.3629 13.4018 13.6015 13.7170 15.0582 15.1424 15.5239 15.5630 17.0955 17.2080 k = 0.6250-0.0722 0.4082 ( 2838 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8480 -30.9599 -30.9583 -30.9559 -30.9534 -22.1951 -22.1944 -14.6021 -14.5901 -14.5727 -14.5709 4.1129 4.2481 8.9388 9.0192 9.5305 9.6170 10.2538 10.2824 11.3380 11.4863 11.5915 11.6161 11.6989 11.9282 12.0387 12.1519 13.3629 13.4018 13.6015 13.7170 15.0582 15.1424 15.5239 15.5630 17.0955 17.2080 k = 0.6181-0.0842 0.4082 ( 2838 PWs) bands (ev): -64.2293 -64.2293 -47.7730 -47.7729 -34.8500 -34.8481 -30.9599 -30.9583 -30.9559 -30.9534 -22.1951 -22.1945 -14.6023 -14.5909 -14.5723 -14.5709 4.1160 4.2473 8.9214 8.9884 9.5873 9.6815 10.3074 10.3373 11.3275 11.4831 11.6016 11.6087 11.6966 11.9194 12.0275 12.1060 13.2807 13.3199 13.5556 13.6652 15.0959 15.1810 15.5510 15.5903 17.0232 17.1452 k = 0.6111-0.0962 0.4082 ( 2838 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8500 -34.8481 -30.9598 -30.9584 -30.9559 -30.9535 -22.1951 -22.1945 -14.6024 -14.5918 -14.5718 -14.5708 4.1185 4.2452 8.9015 8.9578 9.6495 9.7476 10.3625 10.3939 11.3173 11.4792 11.5992 11.6131 11.6939 11.9030 12.0263 12.0600 13.1979 13.2377 13.5109 13.6142 15.1327 15.2199 15.5813 15.6222 16.9533 17.0823 k = 0.6042-0.1083 0.4082 ( 2840 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8500 -34.8481 -30.9598 -30.9584 -30.9559 -30.9535 -22.1951 -22.1945 -14.6025 -14.5926 -14.5714 -14.5708 4.1205 4.2421 8.8803 8.9280 9.7153 9.8141 10.4191 10.4519 11.3074 11.4743 11.5873 11.6254 11.6913 11.8834 12.0148 12.0316 13.1145 13.1552 13.4670 13.5638 15.1687 15.2591 15.6147 15.6585 16.8860 17.0200 k = 0.5972-0.1203 0.4082 ( 2840 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8499 -34.8482 -30.9597 -30.9585 -30.9559 -30.9536 -22.1951 -22.1946 -14.6026 -14.5934 -14.5709 -14.5706 4.1221 4.2381 8.8587 8.8993 9.7833 9.8800 10.4769 10.5113 11.2976 11.4681 11.5733 11.6367 11.6909 11.8643 11.9715 12.0406 13.0307 13.0728 13.4236 13.5137 15.2041 15.2985 15.6510 15.6989 16.8215 16.9588 k = 0.5903-0.1323 0.4082 ( 2838 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8499 -34.8482 -30.9597 -30.9585 -30.9559 -30.9536 -22.1951 -22.1946 -14.6027 -14.5942 -14.5705 -14.5704 4.1234 4.2333 8.8373 8.8721 9.8523 9.9448 10.5356 10.5719 11.2879 11.4603 11.5575 11.6431 11.6966 11.8478 11.9313 12.0518 12.9467 12.9906 13.3804 13.4636 15.2389 15.3378 15.6902 15.7432 16.7600 16.8991 k = 0.5833-0.1443 0.4082 ( 2834 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8498 -34.8483 -30.9596 -30.9586 -30.9558 -30.9537 -22.1951 -22.1946 -14.6027 -14.5950 -14.5702 -14.5700 4.1247 4.2279 8.8166 8.8464 9.9215 10.0075 10.5950 10.6335 11.2777 11.4502 11.5410 11.6415 11.7108 11.8345 11.8958 12.0643 12.8628 12.9089 13.3372 13.4135 15.2733 15.3768 15.7321 15.7912 16.7016 16.8412 k = 0.5764-0.1564 0.4082 ( 2832 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8498 -34.8483 -30.9596 -30.9586 -30.9558 -30.9538 -22.1951 -22.1946 -14.6028 -14.5957 -14.5700 -14.5696 4.1258 4.2220 8.7969 8.8224 9.9897 10.0677 10.6549 10.6957 11.2666 11.4372 11.5250 11.6344 11.7301 11.8246 11.8672 12.0780 12.7792 12.8280 13.2941 13.3632 15.3071 15.4149 15.7767 15.8424 16.6466 16.7851 k = 0.5694-0.1684 0.4082 ( 2836 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8497 -34.8484 -30.9595 -30.9586 -30.9558 -30.9539 -22.1951 -22.1947 -14.6028 -14.5965 -14.5697 -14.5692 4.1271 4.2158 8.7784 8.8003 10.0563 10.1249 10.7146 10.7582 11.2544 11.4208 11.5111 11.6248 11.7477 11.8177 11.8501 12.0924 12.6963 12.7482 13.2512 13.3129 15.3406 15.4518 15.8238 15.8965 16.5954 16.7312 k = 0.5625-0.1804 0.4082 ( 2844 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8497 -34.8484 -30.9595 -30.9587 -30.9557 -30.9539 -22.1951 -22.1947 -14.6028 -14.5972 -14.5695 -14.5689 4.1284 4.2093 8.7614 8.7800 10.1203 10.1785 10.7739 10.8205 11.2408 11.4005 11.5004 11.6146 11.7545 11.8134 11.8521 12.1073 12.6146 12.6700 13.2085 13.2628 15.3735 15.4868 15.8732 15.9529 16.5486 16.6798 k = 0.5556-0.1925 0.4082 ( 2826 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8496 -34.8485 -30.9594 -30.9587 -30.9556 -30.9540 -22.1950 -22.1947 -14.6028 -14.5978 -14.5692 -14.5685 4.1300 4.2027 8.7459 8.7616 10.1811 10.2284 10.8321 10.8818 11.2261 11.3765 11.4940 11.6056 11.7486 11.8112 11.8742 12.1226 12.5348 12.5940 13.1667 13.2134 15.4060 15.5193 15.9245 16.0109 16.5068 16.6313 k = 0.5486-0.2045 0.4082 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8495 -34.8485 -30.9593 -30.9587 -30.9556 -30.9541 -22.1950 -22.1947 -14.6028 -14.5984 -14.5689 -14.5682 4.1318 4.1961 8.7320 8.7453 10.2377 10.2742 10.8883 10.9411 11.2109 11.3492 11.4920 11.5986 11.7371 11.8104 11.9073 12.1376 12.4576 12.5206 13.1260 13.1653 15.4377 15.5486 15.9769 16.0694 16.4710 16.5862 k = 0.5417-0.2165 0.4082 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8495 -34.8486 -30.9593 -30.9588 -30.9555 -30.9542 -22.1950 -22.1947 -14.6027 -14.5990 -14.5686 -14.5680 4.1339 4.1895 8.7200 8.7309 10.2892 10.3156 10.9417 10.9971 11.1963 11.3198 11.4944 11.5944 11.7250 11.8102 11.9453 12.1519 12.3841 12.4506 13.0872 13.1191 15.4685 15.5741 16.0293 16.1269 16.4426 16.5456 k = 0.5347-0.2285 0.4082 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8494 -34.8487 -30.9592 -30.9588 -30.9554 -30.9543 -22.1950 -22.1948 -14.6026 -14.5995 -14.5684 -14.5678 4.1364 4.1830 8.7098 8.7186 10.3347 10.3521 10.9909 11.0479 11.1840 11.2894 11.5010 11.5931 11.7139 11.8098 11.9850 12.1646 12.3160 12.3851 13.0513 13.0761 15.4981 15.5949 16.0800 16.1807 16.4231 16.5111 k = 0.5278-0.2406 0.4082 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8493 -34.8488 -30.9592 -30.9588 -30.9553 -30.9544 -22.1950 -22.1948 -14.6025 -14.6000 -14.5682 -14.5677 4.1393 4.1768 8.7015 8.7084 10.3734 10.3835 11.0344 11.0913 11.1755 11.2596 11.5111 11.5941 11.7057 11.8076 12.0244 12.1747 12.2558 12.3253 13.0192 13.0374 15.5261 15.6102 16.1268 16.2260 16.4145 16.4859 k = 0.5208-0.2526 0.4082 ( 2822 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8493 -34.8488 -30.9591 -30.9589 -30.9552 -30.9546 -22.1949 -22.1948 -14.6023 -14.6005 -14.5680 -14.5676 4.1425 4.1708 8.6952 8.7002 10.4043 10.4092 11.0707 11.1246 11.1724 11.2322 11.5242 11.5950 11.7032 11.8016 12.0614 12.1806 12.2069 12.2729 12.9923 13.0047 15.5520 15.6196 16.1670 16.2561 16.4183 16.4739 k = 0.5139-0.2646 0.4082 ( 2818 PWs) bands (ev): -64.2293 -64.2293 -47.7729 -47.7729 -34.8492 -34.8489 -30.9591 -30.9589 -30.9551 -30.9547 -22.1949 -22.1948 -14.6021 -14.6009 -14.5678 -14.5675 4.1462 4.1651 8.6909 8.6942 10.4267 10.4284 11.0986 11.1443 11.1754 11.2099 11.5393 11.5924 11.7097 11.7898 12.0939 12.1686 12.1855 12.2299 12.9720 12.9795 15.5750 15.6225 16.1995 16.2664 16.4333 16.4748 k = 0.5069-0.2766 0.4082 ( 2804 PWs) bands (ev): -64.2292 -64.2292 -47.7729 -47.7729 -34.8491 -34.8489 -30.9590 -30.9589 -30.9550 -30.9548 -22.1949 -22.1948 -14.6018 -14.6012 -14.5676 -14.5675 4.1503 4.1598 8.6886 8.6902 10.4402 10.4406 11.1195 11.1470 11.1825 11.1966 11.5555 11.5841 11.7261 11.7715 12.1195 12.1485 12.1836 12.1995 12.9597 12.9633 15.5945 15.6190 16.2250 16.2605 16.4542 16.4781 k = 0.5000-0.2887 0.4082 ( 2794 PWs) bands (ev): -64.2292 -64.2292 -47.7729 -47.7729 -34.8490 -34.8490 -30.9589 -30.9589 -30.9549 -30.9549 -22.1948 -22.1948 -14.6015 -14.6015 -14.5675 -14.5675 4.1549 4.1549 8.6884 8.6884 10.4447 10.4447 11.1360 11.1360 11.1897 11.1897 11.5711 11.5711 11.7487 11.7487 12.1361 12.1361 12.1850 12.1850 12.9566 12.9566 15.6094 15.6094 16.2454 16.2454 16.4717 16.4717 Writing output data file HfSbRh.save init_run : 1.16s CPU 0.66s WALL ( 1 calls) electrons : 234.18s CPU 144.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.12s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 234.18s CPU 144.76s 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 0.00s WALL ( 1 calls) newd : 0.28s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.24s CPU 0.31s WALL ( 337 calls) cegterg : 209.15s CPU 130.07s WALL ( 365 calls) Called by sum_band: Called by *egterg: h_psi : 143.95s CPU 82.31s WALL ( 6526 calls) s_psi : 6.13s CPU 3.63s WALL ( 6526 calls) g_psi : 0.19s CPU 0.13s WALL ( 5824 calls) cdiaghg : 63.84s CPU 45.19s WALL ( 6161 calls) cegterg:over : 6.46s CPU 4.06s WALL ( 5824 calls) cegterg:upda : 4.89s CPU 3.14s WALL ( 5824 calls) cegterg:last : 2.33s CPU 1.51s WALL ( 1039 calls) cdiaghg:chol : 3.46s CPU 2.45s WALL ( 6161 calls) cdiaghg:inve : 1.89s CPU 1.36s WALL ( 6161 calls) cdiaghg:para : 3.31s CPU 2.45s WALL ( 12322 calls) Called by h_psi: h_psi:vloc : 129.56s CPU 73.94s WALL ( 6526 calls) h_psi:vnl : 14.20s CPU 8.24s WALL ( 6526 calls) add_vuspsi : 8.93s CPU 4.99s WALL ( 6526 calls) General routines calbec : 5.25s CPU 3.23s WALL ( 6526 calls) fft : 0.13s CPU 0.08s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 122.27s CPU 69.71s WALL ( 601300 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.33s CPU 0.47s WALL ( 674 calls) Parallel routines fft_scatter : 48.86s CPU 29.05s WALL ( 601323 calls) PWSCF : 4m 8.10s CPU 2m50.75s WALL This run was terminated on: 4: 4:21 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=