Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:37:12 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ScAlCu2.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 26 7 1519 538 85 Max 53 27 8 1524 559 90 Sum 1903 955 283 54769 19795 3143 bravais-lattice index = 14 lattice parameter (alat) = 8.2833 a.u. unit-cell volume = 401.8847 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.283340 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 Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cu 11.00 63.54600 Cu( 1.00) Sc 11.00 44.95590 Sc( 1.00) Al 3.00 26.98150 Al( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 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 = 6 180 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 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 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 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 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -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 -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 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 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 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 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 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 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 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 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 339 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( 0.0098039 -0.0056603 0.0080049), wk = 0.0029499 k( 3) = ( 0.0196078 -0.0113206 0.0160097), wk = 0.0029499 k( 4) = ( 0.0294118 -0.0169809 0.0240146), wk = 0.0029499 k( 5) = ( 0.0392157 -0.0226412 0.0320195), wk = 0.0029499 k( 6) = ( 0.0490196 -0.0283015 0.0400243), wk = 0.0029499 k( 7) = ( 0.0588235 -0.0339618 0.0480292), wk = 0.0029499 k( 8) = ( 0.0686275 -0.0396221 0.0560341), wk = 0.0029499 k( 9) = ( 0.0784314 -0.0452824 0.0640389), wk = 0.0029499 k( 10) = ( 0.0882353 -0.0509427 0.0720438), wk = 0.0029499 k( 11) = ( 0.0980392 -0.0566030 0.0800487), wk = 0.0029499 k( 12) = ( 0.1078431 -0.0622633 0.0880536), wk = 0.0029499 k( 13) = ( 0.1176471 -0.0679236 0.0960584), wk = 0.0029499 k( 14) = ( 0.1274510 -0.0735839 0.1040633), wk = 0.0029499 k( 15) = ( 0.1372549 -0.0792442 0.1120682), wk = 0.0029499 k( 16) = ( 0.1470588 -0.0849044 0.1200730), wk = 0.0029499 k( 17) = ( 0.1568627 -0.0905648 0.1280779), wk = 0.0029499 k( 18) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0029499 k( 19) = ( 0.1764706 -0.1018853 0.1440876), wk = 0.0029499 k( 20) = ( 0.1862745 -0.1075456 0.1520925), wk = 0.0029499 k( 21) = ( 0.1960784 -0.1132059 0.1600974), wk = 0.0029499 k( 22) = ( 0.2058823 -0.1188662 0.1681022), wk = 0.0029499 k( 23) = ( 0.2156863 -0.1245265 0.1761071), wk = 0.0029499 k( 24) = ( 0.2254902 -0.1301868 0.1841120), wk = 0.0029499 k( 25) = ( 0.2352941 -0.1358471 0.1921168), wk = 0.0029499 k( 26) = ( 0.2450980 -0.1415074 0.2001217), wk = 0.0029499 k( 27) = ( 0.2549020 -0.1471677 0.2081266), wk = 0.0029499 k( 28) = ( 0.2647059 -0.1528280 0.2161314), wk = 0.0029499 k( 29) = ( 0.2745098 -0.1584883 0.2241363), wk = 0.0029499 k( 30) = ( 0.2843137 -0.1641486 0.2321412), wk = 0.0029499 k( 31) = ( 0.2941177 -0.1698089 0.2401461), wk = 0.0029499 k( 32) = ( 0.3039216 -0.1754692 0.2481509), wk = 0.0029499 k( 33) = ( 0.3137255 -0.1811295 0.2561558), wk = 0.0029499 k( 34) = ( 0.3235294 -0.1867898 0.2641607), wk = 0.0029499 k( 35) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0029499 k( 36) = ( 0.3431373 -0.1981104 0.2801704), wk = 0.0029499 k( 37) = ( 0.3529412 -0.2037707 0.2881753), wk = 0.0029499 k( 38) = ( 0.3627451 -0.2094310 0.2961801), wk = 0.0029499 k( 39) = ( 0.3725490 -0.2150913 0.3041850), wk = 0.0029499 k( 40) = ( 0.3823529 -0.2207516 0.3121899), wk = 0.0029499 k( 41) = ( 0.3921569 -0.2264119 0.3201947), wk = 0.0029499 k( 42) = ( 0.4019608 -0.2320722 0.3281996), wk = 0.0029499 k( 43) = ( 0.4117647 -0.2377325 0.3362045), wk = 0.0029499 k( 44) = ( 0.4215686 -0.2433928 0.3442093), wk = 0.0029499 k( 45) = ( 0.4313726 -0.2490531 0.3522142), wk = 0.0029499 k( 46) = ( 0.4411765 -0.2547134 0.3602191), wk = 0.0029499 k( 47) = ( 0.4509804 -0.2603736 0.3682239), wk = 0.0029499 k( 48) = ( 0.4607843 -0.2660339 0.3762288), wk = 0.0029499 k( 49) = ( 0.4705882 -0.2716942 0.3842337), wk = 0.0029499 k( 50) = ( 0.4803922 -0.2773545 0.3922386), wk = 0.0029499 k( 51) = ( 0.4901961 -0.2830148 0.4002434), wk = 0.0029499 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029499 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029499 k( 54) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0029499 k( 55) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0029499 k( 56) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0029499 k( 57) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0029499 k( 58) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0029499 k( 59) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0029499 k( 60) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0029499 k( 61) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0029499 k( 62) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0029499 k( 63) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0029499 k( 64) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0029499 k( 65) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0029499 k( 66) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0029499 k( 67) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0029499 k( 68) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0029499 k( 69) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0029499 k( 70) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0029499 k( 71) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0029499 k( 72) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0029499 k( 73) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0029499 k( 74) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0029499 k( 75) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0029499 k( 76) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0029499 k( 77) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0029499 k( 78) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0029499 k( 79) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029499 k( 80) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029499 k( 81) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0029499 k( 82) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0029499 k( 83) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0029499 k( 84) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0029499 k( 85) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0029499 k( 86) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0029499 k( 87) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0029499 k( 88) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0029499 k( 89) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0029499 k( 90) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0029499 k( 91) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0029499 k( 92) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0029499 k( 93) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0029499 k( 94) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0029499 k( 95) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0029499 k( 96) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0029499 k( 97) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0029499 k( 98) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029499 k( 99) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029499 k( 100) = ( 0.3680556 0.2124970 0.6010322), wk = 0.0029499 k( 101) = ( 0.3611111 0.2084876 0.5896920), wk = 0.0029499 k( 102) = ( 0.3541667 0.2044782 0.5783517), wk = 0.0029499 k( 103) = ( 0.3472222 0.2004688 0.5670115), wk = 0.0029499 k( 104) = ( 0.3402778 0.1964595 0.5556713), wk = 0.0029499 k( 105) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0029499 k( 106) = ( 0.3263889 0.1884407 0.5329908), wk = 0.0029499 k( 107) = ( 0.3194444 0.1844313 0.5216506), wk = 0.0029499 k( 108) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0029499 k( 109) = ( 0.3055556 0.1764126 0.4989701), wk = 0.0029499 k( 110) = ( 0.2986111 0.1724032 0.4876299), wk = 0.0029499 k( 111) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0029499 k( 112) = ( 0.2847222 0.1643845 0.4649494), wk = 0.0029499 k( 113) = ( 0.2777778 0.1603751 0.4536092), wk = 0.0029499 k( 114) = ( 0.2708333 0.1563657 0.4422690), wk = 0.0029499 k( 115) = ( 0.2638889 0.1523563 0.4309288), wk = 0.0029499 k( 116) = ( 0.2569444 0.1483469 0.4195885), wk = 0.0029499 k( 117) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0029499 k( 118) = ( 0.2430556 0.1403282 0.3969081), wk = 0.0029499 k( 119) = ( 0.2361111 0.1363188 0.3855678), wk = 0.0029499 k( 120) = ( 0.2291667 0.1323094 0.3742276), wk = 0.0029499 k( 121) = ( 0.2222222 0.1283001 0.3628874), wk = 0.0029499 k( 122) = ( 0.2152778 0.1242907 0.3515471), wk = 0.0029499 k( 123) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0029499 k( 124) = ( 0.2013889 0.1162719 0.3288667), wk = 0.0029499 k( 125) = ( 0.1944444 0.1122625 0.3175265), wk = 0.0029499 k( 126) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0029499 k( 127) = ( 0.1805556 0.1042438 0.2948460), wk = 0.0029499 k( 128) = ( 0.1736111 0.1002344 0.2835058), wk = 0.0029499 k( 129) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0029499 k( 130) = ( 0.1597222 0.0922157 0.2608253), wk = 0.0029499 k( 131) = ( 0.1527778 0.0882063 0.2494851), wk = 0.0029499 k( 132) = ( 0.1458333 0.0841969 0.2381448), wk = 0.0029499 k( 133) = ( 0.1388889 0.0801875 0.2268046), wk = 0.0029499 k( 134) = ( 0.1319444 0.0761782 0.2154644), wk = 0.0029499 k( 135) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0029499 k( 136) = ( 0.1180556 0.0681594 0.1927839), wk = 0.0029499 k( 137) = ( 0.1111111 0.0641500 0.1814437), wk = 0.0029499 k( 138) = ( 0.1041667 0.0601407 0.1701034), wk = 0.0029499 k( 139) = ( 0.0972222 0.0561313 0.1587632), wk = 0.0029499 k( 140) = ( 0.0902778 0.0521219 0.1474230), wk = 0.0029499 k( 141) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0029499 k( 142) = ( 0.0763889 0.0441031 0.1247425), wk = 0.0029499 k( 143) = ( 0.0694444 0.0400938 0.1134023), wk = 0.0029499 k( 144) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0029499 k( 145) = ( 0.0555556 0.0320750 0.0907218), wk = 0.0029499 k( 146) = ( 0.0486111 0.0280656 0.0793816), wk = 0.0029499 k( 147) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0029499 k( 148) = ( 0.0347222 0.0200469 0.0567011), wk = 0.0029499 k( 149) = ( 0.0277778 0.0160375 0.0453609), wk = 0.0029499 k( 150) = ( 0.0208333 0.0120281 0.0340207), wk = 0.0029499 k( 151) = ( 0.0138889 0.0080188 0.0226805), wk = 0.0029499 k( 152) = ( 0.0069444 0.0040094 0.0113402), wk = 0.0029499 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 155) = ( 0.0113636 0.0065608 0.0046392), wk = 0.0029499 k( 156) = ( 0.0227273 0.0131216 0.0092784), wk = 0.0029499 k( 157) = ( 0.0340909 0.0196824 0.0139176), wk = 0.0029499 k( 158) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0029499 k( 159) = ( 0.0568182 0.0328040 0.0231959), wk = 0.0029499 k( 160) = ( 0.0681818 0.0393648 0.0278351), wk = 0.0029499 k( 161) = ( 0.0795455 0.0459256 0.0324743), wk = 0.0029499 k( 162) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0029499 k( 163) = ( 0.1022727 0.0590472 0.0417527), wk = 0.0029499 k( 164) = ( 0.1136364 0.0656080 0.0463918), wk = 0.0029499 k( 165) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0029499 k( 166) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0029499 k( 167) = ( 0.1477273 0.0852904 0.0603094), wk = 0.0029499 k( 168) = ( 0.1590909 0.0918512 0.0649486), wk = 0.0029499 k( 169) = ( 0.1704546 0.0984120 0.0695878), wk = 0.0029499 k( 170) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0029499 k( 171) = ( 0.1931818 0.1115336 0.0788661), wk = 0.0029499 k( 172) = ( 0.2045454 0.1180944 0.0835053), wk = 0.0029499 k( 173) = ( 0.2159091 0.1246552 0.0881445), wk = 0.0029499 k( 174) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0029499 k( 175) = ( 0.2386364 0.1377768 0.0974229), wk = 0.0029499 k( 176) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0029499 k( 177) = ( 0.2613636 0.1508984 0.1067013), wk = 0.0029499 k( 178) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0029499 k( 179) = ( 0.2840909 0.1640200 0.1159796), wk = 0.0029499 k( 180) = ( 0.2954545 0.1705808 0.1206188), wk = 0.0029499 k( 181) = ( 0.3068182 0.1771416 0.1252580), wk = 0.0029499 k( 182) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0029499 k( 183) = ( 0.3295455 0.1902632 0.1345364), wk = 0.0029499 k( 184) = ( 0.3409091 0.1968240 0.1391756), wk = 0.0029499 k( 185) = ( 0.3522727 0.2033848 0.1438147), wk = 0.0029499 k( 186) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0029499 k( 187) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0029499 k( 188) = ( 0.3863636 0.2230672 0.1577323), wk = 0.0029499 k( 189) = ( 0.3977273 0.2296279 0.1623715), wk = 0.0029499 k( 190) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0029499 k( 191) = ( 0.4204545 0.2427495 0.1716499), wk = 0.0029499 k( 192) = ( 0.4318182 0.2493103 0.1762890), wk = 0.0029499 k( 193) = ( 0.4431818 0.2558711 0.1809282), wk = 0.0029499 k( 194) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0029499 k( 195) = ( 0.4659091 0.2689927 0.1902066), wk = 0.0029499 k( 196) = ( 0.4772727 0.2755535 0.1948458), wk = 0.0029499 k( 197) = ( 0.4886364 0.2821143 0.1994850), wk = 0.0029499 k( 198) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029499 k( 199) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029499 k( 200) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0029499 k( 201) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0029499 k( 202) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0029499 k( 203) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0029499 k( 204) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0029499 k( 205) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0029499 k( 206) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0029499 k( 207) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0029499 k( 208) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0029499 k( 209) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0029499 k( 210) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0029499 k( 211) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0029499 k( 212) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0029499 k( 213) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0029499 k( 214) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0029499 k( 215) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0029499 k( 216) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0029499 k( 217) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0029499 k( 218) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0029499 k( 219) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0029499 k( 220) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0029499 k( 221) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0029499 k( 222) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0029499 k( 223) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0029499 k( 224) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0029499 k( 225) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0029499 k( 226) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0029499 k( 227) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0029499 k( 228) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0029499 k( 229) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0029499 k( 230) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0029499 k( 231) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029499 k( 232) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029499 k( 233) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0029499 k( 234) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0029499 k( 235) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0029499 k( 236) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0029499 k( 237) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0029499 k( 238) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0029499 k( 239) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0029499 k( 240) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0029499 k( 241) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0029499 k( 242) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0029499 k( 243) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0029499 k( 244) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0029499 k( 245) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0029499 k( 246) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0029499 k( 247) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0029499 k( 248) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0029499 k( 249) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0029499 k( 250) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029499 k( 251) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029499 k( 252) = ( 0.5000000 0.0080187 0.6010322), wk = 0.0029499 k( 253) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0029499 k( 254) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0029499 k( 255) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0029499 k( 256) = ( 0.5000000 0.0400938 0.5556713), wk = 0.0029499 k( 257) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0029499 k( 258) = ( 0.5000000 0.0561313 0.5329908), wk = 0.0029499 k( 259) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0029499 k( 260) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0029499 k( 261) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0029499 k( 262) = ( 0.5000000 0.0882063 0.4876299), wk = 0.0029499 k( 263) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0029499 k( 264) = ( 0.5000000 0.1042438 0.4649494), wk = 0.0029499 k( 265) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0029499 k( 266) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0029499 k( 267) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0029499 k( 268) = ( 0.5000000 0.1363188 0.4195885), wk = 0.0029499 k( 269) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0029499 k( 270) = ( 0.5000000 0.1523563 0.3969081), wk = 0.0029499 k( 271) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0029499 k( 272) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0029499 k( 273) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0029499 k( 274) = ( 0.5000000 0.1844313 0.3515471), wk = 0.0029499 k( 275) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0029499 k( 276) = ( 0.5000000 0.2004688 0.3288667), wk = 0.0029499 k( 277) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0029499 k( 278) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0029499 k( 279) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0029499 k( 280) = ( 0.5000000 0.2325439 0.2835058), wk = 0.0029499 k( 281) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0029499 k( 282) = ( 0.5000000 0.2485814 0.2608253), wk = 0.0029499 k( 283) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0029499 k( 284) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0029499 k( 285) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0029499 k( 286) = ( 0.5000000 0.2806564 0.2154644), wk = 0.0029499 k( 287) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029499 k( 288) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029499 k( 289) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0029499 k( 290) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0029499 k( 291) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0029499 k( 292) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0029499 k( 293) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0029499 k( 294) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0029499 k( 295) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0029499 k( 296) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0029499 k( 297) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0029499 k( 298) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0029499 k( 299) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0029499 k( 300) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0029499 k( 301) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0029499 k( 302) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0029499 k( 303) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0029499 k( 304) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0029499 k( 305) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0029499 k( 306) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0029499 k( 307) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0029499 k( 308) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0029499 k( 309) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0029499 k( 310) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0029499 k( 311) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0029499 k( 312) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0029499 k( 313) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0029499 k( 314) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0029499 k( 315) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0029499 k( 316) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0029499 k( 317) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0029499 k( 318) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0029499 k( 319) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0029499 k( 320) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029499 k( 321) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029499 k( 322) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0029499 k( 323) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0029499 k( 324) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0029499 k( 325) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0029499 k( 326) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0029499 k( 327) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0029499 k( 328) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0029499 k( 329) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0029499 k( 330) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0029499 k( 331) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0029499 k( 332) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0029499 k( 333) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0029499 k( 334) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0029499 k( 335) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0029499 k( 336) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0029499 k( 337) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0029499 k( 338) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0029499 k( 339) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029499 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( 0.0098039 -0.0000000 0.0098039), wk = 0.0029499 k( 3) = ( 0.0196078 -0.0000000 0.0196078), wk = 0.0029499 k( 4) = ( 0.0294118 0.0000000 0.0294118), wk = 0.0029499 k( 5) = ( 0.0392157 -0.0000000 0.0392157), wk = 0.0029499 k( 6) = ( 0.0490196 -0.0000000 0.0490196), wk = 0.0029499 k( 7) = ( 0.0588235 0.0000000 0.0588235), wk = 0.0029499 k( 8) = ( 0.0686275 -0.0000000 0.0686275), wk = 0.0029499 k( 9) = ( 0.0784314 -0.0000000 0.0784314), wk = 0.0029499 k( 10) = ( 0.0882353 -0.0000000 0.0882353), wk = 0.0029499 k( 11) = ( 0.0980392 -0.0000000 0.0980392), wk = 0.0029499 k( 12) = ( 0.1078431 0.0000000 0.1078431), wk = 0.0029499 k( 13) = ( 0.1176471 0.0000000 0.1176471), wk = 0.0029499 k( 14) = ( 0.1274510 -0.0000000 0.1274510), wk = 0.0029499 k( 15) = ( 0.1372549 -0.0000000 0.1372549), wk = 0.0029499 k( 16) = ( 0.1470588 -0.0000000 0.1470588), wk = 0.0029499 k( 17) = ( 0.1568627 -0.0000000 0.1568627), wk = 0.0029499 k( 18) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0029499 k( 19) = ( 0.1764706 -0.0000000 0.1764706), wk = 0.0029499 k( 20) = ( 0.1862745 -0.0000000 0.1862745), wk = 0.0029499 k( 21) = ( 0.1960784 -0.0000000 0.1960784), wk = 0.0029499 k( 22) = ( 0.2058823 -0.0000000 0.2058823), wk = 0.0029499 k( 23) = ( 0.2156863 0.0000000 0.2156863), wk = 0.0029499 k( 24) = ( 0.2254902 0.0000000 0.2254902), wk = 0.0029499 k( 25) = ( 0.2352941 0.0000000 0.2352941), wk = 0.0029499 k( 26) = ( 0.2450980 0.0000000 0.2450980), wk = 0.0029499 k( 27) = ( 0.2549020 -0.0000000 0.2549020), wk = 0.0029499 k( 28) = ( 0.2647059 -0.0000000 0.2647059), wk = 0.0029499 k( 29) = ( 0.2745098 -0.0000000 0.2745098), wk = 0.0029499 k( 30) = ( 0.2843137 -0.0000000 0.2843137), wk = 0.0029499 k( 31) = ( 0.2941177 -0.0000000 0.2941177), wk = 0.0029499 k( 32) = ( 0.3039216 -0.0000000 0.3039216), wk = 0.0029499 k( 33) = ( 0.3137255 0.0000000 0.3137255), wk = 0.0029499 k( 34) = ( 0.3235294 -0.0000000 0.3235294), wk = 0.0029499 k( 35) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0029499 k( 36) = ( 0.3431373 -0.0000000 0.3431373), wk = 0.0029499 k( 37) = ( 0.3529412 -0.0000000 0.3529412), wk = 0.0029499 k( 38) = ( 0.3627451 0.0000000 0.3627451), wk = 0.0029499 k( 39) = ( 0.3725490 -0.0000000 0.3725490), wk = 0.0029499 k( 40) = ( 0.3823529 0.0000000 0.3823529), wk = 0.0029499 k( 41) = ( 0.3921569 -0.0000000 0.3921569), wk = 0.0029499 k( 42) = ( 0.4019608 0.0000000 0.4019608), wk = 0.0029499 k( 43) = ( 0.4117647 0.0000000 0.4117647), wk = 0.0029499 k( 44) = ( 0.4215686 -0.0000000 0.4215686), wk = 0.0029499 k( 45) = ( 0.4313726 0.0000000 0.4313726), wk = 0.0029499 k( 46) = ( 0.4411765 0.0000000 0.4411765), wk = 0.0029499 k( 47) = ( 0.4509804 -0.0000000 0.4509804), wk = 0.0029499 k( 48) = ( 0.4607843 0.0000000 0.4607843), wk = 0.0029499 k( 49) = ( 0.4705882 0.0000000 0.4705882), wk = 0.0029499 k( 50) = ( 0.4803922 0.0000000 0.4803922), wk = 0.0029499 k( 51) = ( 0.4901961 0.0000000 0.4901961), wk = 0.0029499 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029499 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029499 k( 54) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0029499 k( 55) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0029499 k( 56) = ( 0.5000000 0.0288462 0.5288462), wk = 0.0029499 k( 57) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0029499 k( 58) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0029499 k( 59) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0029499 k( 60) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0029499 k( 61) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0029499 k( 62) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0029499 k( 63) = ( 0.5000000 0.0961539 0.5961538), wk = 0.0029499 k( 64) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0029499 k( 65) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0029499 k( 66) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0029499 k( 67) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0029499 k( 68) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0029499 k( 69) = ( 0.5000000 0.1538461 0.6538462), wk = 0.0029499 k( 70) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0029499 k( 71) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0029499 k( 72) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0029499 k( 73) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0029499 k( 74) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0029499 k( 75) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0029499 k( 76) = ( 0.5000000 0.2211539 0.7211538), wk = 0.0029499 k( 77) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0029499 k( 78) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0029499 k( 79) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029499 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029499 k( 81) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0029499 k( 82) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0029499 k( 83) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0029499 k( 84) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0029499 k( 85) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0029499 k( 86) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0029499 k( 87) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0029499 k( 88) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0029499 k( 89) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0029499 k( 90) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0029499 k( 91) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0029499 k( 92) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0029499 k( 93) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0029499 k( 94) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0029499 k( 95) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0029499 k( 96) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0029499 k( 97) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0029499 k( 98) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029499 k( 99) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029499 k( 100) = ( 0.3680556 0.3680556 0.7361111), wk = 0.0029499 k( 101) = ( 0.3611111 0.3611111 0.7222222), wk = 0.0029499 k( 102) = ( 0.3541667 0.3541667 0.7083333), wk = 0.0029499 k( 103) = ( 0.3472222 0.3472222 0.6944444), wk = 0.0029499 k( 104) = ( 0.3402778 0.3402778 0.6805556), wk = 0.0029499 k( 105) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0029499 k( 106) = ( 0.3263889 0.3263889 0.6527778), wk = 0.0029499 k( 107) = ( 0.3194444 0.3194444 0.6388889), wk = 0.0029499 k( 108) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0029499 k( 109) = ( 0.3055556 0.3055556 0.6111111), wk = 0.0029499 k( 110) = ( 0.2986111 0.2986111 0.5972222), wk = 0.0029499 k( 111) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0029499 k( 112) = ( 0.2847222 0.2847222 0.5694444), wk = 0.0029499 k( 113) = ( 0.2777778 0.2777778 0.5555556), wk = 0.0029499 k( 114) = ( 0.2708333 0.2708333 0.5416667), wk = 0.0029499 k( 115) = ( 0.2638889 0.2638889 0.5277778), wk = 0.0029499 k( 116) = ( 0.2569444 0.2569444 0.5138889), wk = 0.0029499 k( 117) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0029499 k( 118) = ( 0.2430556 0.2430556 0.4861111), wk = 0.0029499 k( 119) = ( 0.2361111 0.2361111 0.4722222), wk = 0.0029499 k( 120) = ( 0.2291667 0.2291667 0.4583333), wk = 0.0029499 k( 121) = ( 0.2222222 0.2222222 0.4444444), wk = 0.0029499 k( 122) = ( 0.2152778 0.2152778 0.4305556), wk = 0.0029499 k( 123) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0029499 k( 124) = ( 0.2013889 0.2013889 0.4027778), wk = 0.0029499 k( 125) = ( 0.1944444 0.1944444 0.3888889), wk = 0.0029499 k( 126) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0029499 k( 127) = ( 0.1805556 0.1805556 0.3611111), wk = 0.0029499 k( 128) = ( 0.1736111 0.1736111 0.3472222), wk = 0.0029499 k( 129) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029499 k( 130) = ( 0.1597222 0.1597222 0.3194444), wk = 0.0029499 k( 131) = ( 0.1527778 0.1527778 0.3055556), wk = 0.0029499 k( 132) = ( 0.1458333 0.1458333 0.2916667), wk = 0.0029499 k( 133) = ( 0.1388889 0.1388889 0.2777778), wk = 0.0029499 k( 134) = ( 0.1319444 0.1319444 0.2638889), wk = 0.0029499 k( 135) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0029499 k( 136) = ( 0.1180556 0.1180556 0.2361111), wk = 0.0029499 k( 137) = ( 0.1111111 0.1111111 0.2222222), wk = 0.0029499 k( 138) = ( 0.1041667 0.1041667 0.2083333), wk = 0.0029499 k( 139) = ( 0.0972222 0.0972222 0.1944444), wk = 0.0029499 k( 140) = ( 0.0902778 0.0902778 0.1805556), wk = 0.0029499 k( 141) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0029499 k( 142) = ( 0.0763889 0.0763889 0.1527778), wk = 0.0029499 k( 143) = ( 0.0694444 0.0694444 0.1388889), wk = 0.0029499 k( 144) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0029499 k( 145) = ( 0.0555556 0.0555556 0.1111111), wk = 0.0029499 k( 146) = ( 0.0486111 0.0486111 0.0972222), wk = 0.0029499 k( 147) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0029499 k( 148) = ( 0.0347222 0.0347222 0.0694444), wk = 0.0029499 k( 149) = ( 0.0277778 0.0277778 0.0555556), wk = 0.0029499 k( 150) = ( 0.0208333 0.0208333 0.0416667), wk = 0.0029499 k( 151) = ( 0.0138889 0.0138889 0.0277778), wk = 0.0029499 k( 152) = ( 0.0069444 0.0069444 0.0138889), wk = 0.0029499 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 155) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0029499 k( 156) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0029499 k( 157) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0029499 k( 158) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0029499 k( 159) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0029499 k( 160) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0029499 k( 161) = ( 0.0795455 0.0795454 0.0795455), wk = 0.0029499 k( 162) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0029499 k( 163) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0029499 k( 164) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0029499 k( 165) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029499 k( 166) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0029499 k( 167) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0029499 k( 168) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0029499 k( 169) = ( 0.1704546 0.1704545 0.1704545), wk = 0.0029499 k( 170) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0029499 k( 171) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0029499 k( 172) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0029499 k( 173) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0029499 k( 174) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0029499 k( 175) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0029499 k( 176) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029499 k( 177) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0029499 k( 178) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0029499 k( 179) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0029499 k( 180) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0029499 k( 181) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0029499 k( 182) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0029499 k( 183) = ( 0.3295455 0.3295454 0.3295455), wk = 0.0029499 k( 184) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0029499 k( 185) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0029499 k( 186) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0029499 k( 187) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029499 k( 188) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0029499 k( 189) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0029499 k( 190) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0029499 k( 191) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0029499 k( 192) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0029499 k( 193) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0029499 k( 194) = ( 0.4545455 0.4545454 0.4545455), wk = 0.0029499 k( 195) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0029499 k( 196) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0029499 k( 197) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0029499 k( 198) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 200) = ( 0.5039062 0.4921875 0.5039062), wk = 0.0029499 k( 201) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0029499 k( 202) = ( 0.5117188 0.4765625 0.5117188), wk = 0.0029499 k( 203) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0029499 k( 204) = ( 0.5195312 0.4609375 0.5195312), wk = 0.0029499 k( 205) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0029499 k( 206) = ( 0.5273438 0.4453125 0.5273438), wk = 0.0029499 k( 207) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0029499 k( 208) = ( 0.5351562 0.4296875 0.5351562), wk = 0.0029499 k( 209) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0029499 k( 210) = ( 0.5429688 0.4140625 0.5429688), wk = 0.0029499 k( 211) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0029499 k( 212) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0029499 k( 213) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0029499 k( 214) = ( 0.5585938 0.3828125 0.5585938), wk = 0.0029499 k( 215) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0029499 k( 216) = ( 0.5664062 0.3671875 0.5664062), wk = 0.0029499 k( 217) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0029499 k( 218) = ( 0.5742188 0.3515625 0.5742188), wk = 0.0029499 k( 219) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0029499 k( 220) = ( 0.5820312 0.3359375 0.5820312), wk = 0.0029499 k( 221) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0029499 k( 222) = ( 0.5898438 0.3203125 0.5898438), wk = 0.0029499 k( 223) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0029499 k( 224) = ( 0.5976562 0.3046875 0.5976562), wk = 0.0029499 k( 225) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0029499 k( 226) = ( 0.6054688 0.2890625 0.6054688), wk = 0.0029499 k( 227) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0029499 k( 228) = ( 0.6132812 0.2734375 0.6132812), wk = 0.0029499 k( 229) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0029499 k( 230) = ( 0.6210938 0.2578125 0.6210938), wk = 0.0029499 k( 231) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029499 k( 232) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029499 k( 233) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0029499 k( 234) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0029499 k( 235) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0029499 k( 236) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0029499 k( 237) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0029499 k( 238) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0029499 k( 239) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0029499 k( 240) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0029499 k( 241) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0029499 k( 242) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0029499 k( 243) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0029499 k( 244) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0029499 k( 245) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0029499 k( 246) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0029499 k( 247) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0029499 k( 248) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0029499 k( 249) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0029499 k( 250) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029499 k( 251) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029499 k( 252) = ( 0.5000000 0.2569444 0.7430556), wk = 0.0029499 k( 253) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0029499 k( 254) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0029499 k( 255) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0029499 k( 256) = ( 0.5000000 0.2847222 0.7152778), wk = 0.0029499 k( 257) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0029499 k( 258) = ( 0.5000000 0.2986111 0.7013889), wk = 0.0029499 k( 259) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0029499 k( 260) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0029499 k( 261) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0029499 k( 262) = ( 0.5000000 0.3263889 0.6736111), wk = 0.0029499 k( 263) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0029499 k( 264) = ( 0.5000000 0.3402778 0.6597222), wk = 0.0029499 k( 265) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0029499 k( 266) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0029499 k( 267) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0029499 k( 268) = ( 0.5000000 0.3680556 0.6319444), wk = 0.0029499 k( 269) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0029499 k( 270) = ( 0.5000000 0.3819444 0.6180556), wk = 0.0029499 k( 271) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0029499 k( 272) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0029499 k( 273) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0029499 k( 274) = ( 0.5000000 0.4097222 0.5902778), wk = 0.0029499 k( 275) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0029499 k( 276) = ( 0.5000000 0.4236111 0.5763889), wk = 0.0029499 k( 277) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0029499 k( 278) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0029499 k( 279) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0029499 k( 280) = ( 0.5000000 0.4513889 0.5486111), wk = 0.0029499 k( 281) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0029499 k( 282) = ( 0.5000000 0.4652778 0.5347222), wk = 0.0029499 k( 283) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0029499 k( 284) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0029499 k( 285) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0029499 k( 286) = ( 0.5000000 0.4930556 0.5069444), wk = 0.0029499 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 288) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 289) = ( 0.4960938 0.4960938 0.5078125), wk = 0.0029499 k( 290) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0029499 k( 291) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0029499 k( 292) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0029499 k( 293) = ( 0.4804688 0.4804688 0.5390625), wk = 0.0029499 k( 294) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0029499 k( 295) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0029499 k( 296) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0029499 k( 297) = ( 0.4648438 0.4648438 0.5703125), wk = 0.0029499 k( 298) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0029499 k( 299) = ( 0.4570312 0.4570312 0.5859375), wk = 0.0029499 k( 300) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0029499 k( 301) = ( 0.4492188 0.4492188 0.6015625), wk = 0.0029499 k( 302) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0029499 k( 303) = ( 0.4414062 0.4414062 0.6171875), wk = 0.0029499 k( 304) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0029499 k( 305) = ( 0.4335938 0.4335937 0.6328125), wk = 0.0029499 k( 306) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0029499 k( 307) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0029499 k( 308) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0029499 k( 309) = ( 0.4179688 0.4179688 0.6640625), wk = 0.0029499 k( 310) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0029499 k( 311) = ( 0.4101562 0.4101562 0.6796875), wk = 0.0029499 k( 312) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0029499 k( 313) = ( 0.4023438 0.4023437 0.6953125), wk = 0.0029499 k( 314) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0029499 k( 315) = ( 0.3945312 0.3945312 0.7109375), wk = 0.0029499 k( 316) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0029499 k( 317) = ( 0.3867188 0.3867188 0.7265625), wk = 0.0029499 k( 318) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0029499 k( 319) = ( 0.3789062 0.3789062 0.7421875), wk = 0.0029499 k( 320) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029499 k( 321) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029499 k( 322) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0029499 k( 323) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0029499 k( 324) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0029499 k( 325) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0029499 k( 326) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0029499 k( 327) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0029499 k( 328) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0029499 k( 329) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0029499 k( 330) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0029499 k( 331) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0029499 k( 332) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0029499 k( 333) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0029499 k( 334) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0029499 k( 335) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0029499 k( 336) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0029499 k( 337) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0029499 k( 338) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0029499 k( 339) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029499 Dense grid: 54769 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 19795 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 146, 44) NL pseudopotentials 0.15 Mb ( 73, 136) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1521) G-vector shells 0.00 Mb ( 394) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.39 Mb ( 146, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./ScAlCu2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 5.9 secs Computing kpt #: 9 total cpu time spent up to now is 6.3 secs Computing kpt #: 10 total cpu time spent up to now is 6.6 secs Computing kpt #: 11 total cpu time spent up to now is 7.0 secs Computing kpt #: 12 total cpu time spent up to now is 7.4 secs Computing kpt #: 13 total cpu time spent up to now is 7.7 secs Computing kpt #: 14 total cpu time spent up to 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total cpu time spent up to now is 100.8 secs Computing kpt #: 293 total cpu time spent up to now is 101.2 secs Computing kpt #: 294 total cpu time spent up to now is 101.5 secs Computing kpt #: 295 total cpu time spent up to now is 101.8 secs Computing kpt #: 296 total cpu time spent up to now is 102.1 secs Computing kpt #: 297 total cpu time spent up to now is 102.5 secs Computing kpt #: 298 total cpu time spent up to now is 102.8 secs Computing kpt #: 299 total cpu time spent up to now is 103.2 secs Computing kpt #: 300 total cpu time spent up to now is 103.5 secs Computing kpt #: 301 total cpu time spent up to now is 103.9 secs Computing kpt #: 302 total cpu time spent up to now is 104.2 secs Computing kpt #: 303 total cpu time spent up to now is 104.6 secs Computing kpt #: 304 total cpu time spent up to now is 104.9 secs Computing kpt #: 305 total cpu time spent up to now is 105.3 secs Computing kpt #: 306 total cpu time spent up to now is 105.6 secs Computing kpt #: 307 total cpu time spent up to now is 106.0 secs Computing kpt #: 308 total cpu time spent up to now is 106.4 secs Computing kpt #: 309 total cpu time spent up to now is 106.7 secs Computing kpt #: 310 total cpu time spent up to now is 107.1 secs Computing kpt #: 311 total cpu time spent up to now is 107.4 secs Computing kpt #: 312 total cpu time spent up to now is 107.8 secs Computing kpt #: 313 total cpu time spent up to now is 108.2 secs Computing kpt #: 314 total cpu time spent up to now is 108.5 secs Computing kpt #: 315 total cpu time spent up to now is 108.9 secs Computing kpt #: 316 total cpu time spent up to now is 109.2 secs Computing kpt #: 317 total cpu time spent up to now is 109.6 secs Computing kpt #: 318 total cpu time spent up to now is 110.0 secs Computing kpt #: 319 total cpu time spent up to now is 110.3 secs Computing kpt #: 320 total cpu time spent up to now is 110.7 secs Computing kpt #: 321 total cpu time spent up to now is 111.0 secs Computing kpt #: 322 total cpu time spent up to now is 111.4 secs Computing kpt #: 323 total cpu time spent up to now is 114.2 secs Computing kpt #: 324 total cpu time spent up to now is 114.5 secs Computing kpt #: 325 total cpu time spent up to now is 114.8 secs Computing kpt #: 326 total cpu time spent up to now is 115.1 secs Computing kpt #: 327 total cpu time spent up to now is 115.5 secs Computing kpt #: 328 total cpu time spent up to now is 115.8 secs Computing kpt #: 329 total cpu time spent up to now is 116.1 secs Computing kpt #: 330 total cpu time spent up to now is 116.4 secs Computing kpt #: 331 total cpu time spent up to now is 116.7 secs Computing kpt #: 332 total cpu time spent up to now is 117.1 secs Computing kpt #: 333 total cpu time spent up to now is 117.4 secs Computing kpt #: 334 total cpu time spent up to now is 117.8 secs Computing kpt #: 335 total cpu time spent up to now is 118.1 secs Computing kpt #: 336 total cpu time spent up to now is 118.5 secs Computing kpt #: 337 total cpu time spent up to now is 118.8 secs Computing kpt #: 338 total cpu time spent up to now is 119.2 secs Computing kpt #: 339 total cpu time spent up to now is 119.5 secs ethr = 2.78E-08, avg # of iterations = 16.6 total cpu time spent up to now is 119.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2445 PWs) bands (ev): -38.0327 -38.0327 -17.0376 -17.0376 -16.5341 -16.5341 -16.5341 -16.5341 2.2417 2.2417 7.2230 7.2230 7.2230 7.2230 7.2416 7.2416 7.2416 7.2416 7.3779 7.3779 8.1607 8.1607 8.1607 8.1607 8.3121 8.3121 8.6120 8.6120 8.6120 8.6120 10.6465 10.6465 10.7099 10.7099 10.7099 10.7099 13.1690 13.1690 13.1690 13.1690 14.4185 14.4185 14.4298 14.4298 k = 0.0098-0.0057 0.0080 ( 2445 PWs) bands (ev): -38.0327 -38.0327 -17.0377 -17.0377 -16.5341 -16.5341 -16.5341 -16.5341 2.2433 2.2433 7.2184 7.2184 7.2233 7.2233 7.2420 7.2420 7.2459 7.2459 7.3782 7.3782 8.1606 8.1606 8.1607 8.1607 8.3120 8.3120 8.6104 8.6104 8.6120 8.6120 10.6451 10.6451 10.7081 10.7081 10.7084 10.7084 13.1610 13.1610 13.1689 13.1689 14.4208 14.4208 14.4315 14.4315 k = 0.0196-0.0113 0.0160 ( 2445 PWs) bands (ev): -38.0327 -38.0327 -17.0377 -17.0377 -16.5342 -16.5342 -16.5341 -16.5341 2.2481 2.2481 7.2093 7.2093 7.2242 7.2242 7.2431 7.2431 7.2539 7.2539 7.3790 7.3790 8.1603 8.1603 8.1606 8.1606 8.3118 8.3118 8.6057 8.6057 8.6119 8.6119 10.6408 10.6408 10.7031 10.7031 10.7042 10.7042 13.1371 13.1371 13.1685 13.1685 14.4271 14.4271 14.4371 14.4371 k = 0.0294-0.0170 0.0240 ( 2441 PWs) bands (ev): -38.0327 -38.0327 -17.0377 -17.0377 -16.5343 -16.5343 -16.5342 -16.5342 2.2562 2.2562 7.1988 7.1988 7.2257 7.2257 7.2450 7.2450 7.2629 7.2629 7.3803 7.3803 8.1598 8.1598 8.1605 8.1605 8.3114 8.3114 8.5978 8.5978 8.6118 8.6118 10.6338 10.6338 10.6947 10.6947 10.6972 10.6972 13.0984 13.0984 13.1679 13.1679 14.4354 14.4354 14.4484 14.4484 k = 0.0392-0.0226 0.0320 ( 2449 PWs) bands (ev): -38.0327 -38.0327 -17.0378 -17.0378 -16.5344 -16.5344 -16.5342 -16.5342 2.2674 2.2674 7.1873 7.1873 7.2278 7.2278 7.2476 7.2476 7.2720 7.2720 7.3822 7.3822 8.1590 8.1590 8.1603 8.1603 8.3109 8.3109 8.5866 8.5866 8.6117 8.6117 10.6242 10.6242 10.6833 10.6833 10.6875 10.6875 13.0461 13.0461 13.1670 13.1670 14.4445 14.4445 14.4658 14.4658 k = 0.0490-0.0283 0.0400 ( 2461 PWs) bands (ev): -38.0327 -38.0327 -17.0380 -17.0380 -16.5347 -16.5347 -16.5343 -16.5343 2.2818 2.2818 7.1749 7.1749 7.2306 7.2306 7.2508 7.2508 7.2813 7.2813 7.3845 7.3845 8.1580 8.1580 8.1600 8.1600 8.3101 8.3101 8.5726 8.5726 8.6115 8.6115 10.6119 10.6119 10.6689 10.6689 10.6751 10.6751 12.9821 12.9821 13.1659 13.1659 14.4549 14.4549 14.4887 14.4887 k = 0.0588-0.0340 0.0480 ( 2465 PWs) bands (ev): -38.0326 -38.0326 -17.0381 -17.0381 -16.5349 -16.5349 -16.5344 -16.5344 2.2994 2.2994 7.1615 7.1615 7.2339 7.2339 7.2549 7.2549 7.2907 7.2907 7.3875 7.3875 8.1568 8.1568 8.1595 8.1595 8.3092 8.3092 8.5557 8.5557 8.6113 8.6113 10.5975 10.5975 10.6520 10.6520 10.6605 10.6605 12.9081 12.9081 13.1645 13.1645 14.4666 14.4666 14.5161 14.5161 k = 0.0686-0.0396 0.0560 ( 2489 PWs) bands (ev): -38.0326 -38.0326 -17.0384 -17.0384 -16.5352 -16.5352 -16.5346 -16.5346 2.3202 2.3202 7.1473 7.1473 7.2377 7.2377 7.2595 7.2595 7.3003 7.3003 7.3910 7.3910 8.1553 8.1553 8.1589 8.1589 8.3080 8.3080 8.5360 8.5360 8.6109 8.6109 10.5808 10.5808 10.6327 10.6327 10.6436 10.6436 12.8256 12.8256 13.1629 13.1629 14.4796 14.4796 14.5473 14.5473 k = 0.0784-0.0453 0.0640 ( 2481 PWs) bands (ev): -38.0326 -38.0326 -17.0385 -17.0385 -16.5355 -16.5355 -16.5347 -16.5347 2.3441 2.3441 7.1321 7.1321 7.2422 7.2422 7.2650 7.2650 7.3101 7.3101 7.3952 7.3952 8.1537 8.1537 8.1582 8.1582 8.3067 8.3067 8.5137 8.5137 8.6106 8.6106 10.5624 10.5624 10.6116 10.6116 10.6248 10.6248 12.7364 12.7364 13.1611 13.1611 14.4939 14.4939 14.5819 14.5819 k = 0.0882-0.0509 0.0720 ( 2489 PWs) bands (ev): -38.0326 -38.0326 -17.0387 -17.0387 -16.5358 -16.5358 -16.5348 -16.5348 2.3712 2.3712 7.1160 7.1160 7.2472 7.2472 7.2712 7.2712 7.3203 7.3203 7.4000 7.4000 8.1517 8.1517 8.1571 8.1571 8.3048 8.3048 8.4891 8.4891 8.6103 8.6103 10.5424 10.5424 10.5887 10.5887 10.6042 10.6042 12.6416 12.6416 13.1591 13.1591 14.5094 14.5094 14.6189 14.6189 k = 0.0980-0.0566 0.0800 ( 2489 PWs) bands (ev): -38.0325 -38.0325 -17.0389 -17.0389 -16.5361 -16.5361 -16.5350 -16.5350 2.4013 2.4013 7.0988 7.0988 7.2527 7.2527 7.2780 7.2780 7.3307 7.3307 7.4054 7.4054 8.1497 8.1497 8.1556 8.1556 8.3026 8.3026 8.4625 8.4625 8.6100 8.6100 10.5212 10.5212 10.5645 10.5645 10.5821 10.5821 12.5425 12.5425 13.1567 13.1567 14.5262 14.5262 14.6574 14.6574 k = 0.1078-0.0623 0.0881 ( 2489 PWs) bands (ev): -38.0325 -38.0325 -17.0392 -17.0392 -16.5365 -16.5365 -16.5351 -16.5351 2.4346 2.4346 7.0805 7.0805 7.2588 7.2588 7.2855 7.2855 7.3414 7.3414 7.4114 7.4114 8.1473 8.1473 8.1537 8.1537 8.2995 8.2995 8.4344 8.4344 8.6096 8.6096 10.4989 10.4989 10.5392 10.5392 10.5586 10.5586 12.4400 12.4400 13.1542 13.1542 14.5441 14.5441 14.6965 14.6965 k = 0.1176-0.0679 0.0961 ( 2493 PWs) bands (ev): -38.0325 -38.0325 -17.0394 -17.0394 -16.5369 -16.5369 -16.5353 -16.5353 2.4709 2.4709 7.0611 7.0611 7.2653 7.2653 7.2936 7.2936 7.3524 7.3524 7.4180 7.4180 8.1448 8.1448 8.1509 8.1509 8.2950 8.2950 8.4059 8.4059 8.6092 8.6092 10.4758 10.4758 10.5130 10.5130 10.5341 10.5341 12.3349 12.3349 13.1515 13.1515 14.5631 14.5631 14.7350 14.7350 k = 0.1275-0.0736 0.1041 ( 2489 PWs) bands (ev): -38.0324 -38.0324 -17.0397 -17.0397 -16.5373 -16.5373 -16.5355 -16.5355 2.5102 2.5102 7.0406 7.0406 7.2724 7.2724 7.3023 7.3023 7.3637 7.3637 7.4251 7.4251 8.1421 8.1421 8.1471 8.1471 8.2880 8.2880 8.3788 8.3788 8.6087 8.6087 10.4522 10.4522 10.4864 10.4864 10.5086 10.5086 12.2280 12.2280 13.1485 13.1485 14.5834 14.5834 14.7714 14.7714 k = 0.1373-0.0792 0.1121 ( 2485 PWs) bands (ev): -38.0324 -38.0324 -17.0400 -17.0400 -16.5377 -16.5377 -16.5356 -16.5356 2.5526 2.5526 7.0191 7.0191 7.2800 7.2800 7.3115 7.3115 7.3754 7.3754 7.4328 7.4328 8.1391 8.1391 8.1415 8.1415 8.2766 8.2766 8.3555 8.3555 8.6083 8.6083 10.4283 10.4283 10.4594 10.4594 10.4825 10.4825 12.1196 12.1196 13.1454 13.1454 14.6047 14.6047 14.8044 14.8044 k = 0.1471-0.0849 0.1201 ( 2481 PWs) bands (ev): -38.0324 -38.0324 -17.0402 -17.0402 -16.5381 -16.5381 -16.5358 -16.5358 2.5979 2.5979 6.9965 6.9965 7.2880 7.2880 7.3214 7.3214 7.3873 7.3873 7.4410 7.4410 8.1330 8.1330 8.1359 8.1359 8.2593 8.2593 8.3388 8.3388 8.6078 8.6078 10.4041 10.4041 10.4325 10.4325 10.4559 10.4559 12.0103 12.0103 13.1420 13.1420 14.6271 14.6271 14.8324 14.8324 k = 0.1569-0.0906 0.1281 ( 2497 PWs) bands (ev): -38.0323 -38.0323 -17.0406 -17.0406 -16.5387 -16.5387 -16.5361 -16.5361 2.6461 2.6461 6.9728 6.9728 7.2963 7.2963 7.3316 7.3316 7.3994 7.3994 7.4496 7.4496 8.1200 8.1200 8.1325 8.1325 8.2383 8.2383 8.3285 8.3285 8.6071 8.6071 10.3798 10.3798 10.4056 10.4056 10.4290 10.4290 11.9003 11.9003 13.1384 13.1384 14.6506 14.6506 14.8538 14.8538 k = 0.1667-0.0962 0.1361 ( 2497 PWs) bands (ev): -38.0323 -38.0323 -17.0409 -17.0409 -16.5392 -16.5392 -16.5363 -16.5363 2.6971 2.6971 6.9481 6.9481 7.3051 7.3051 7.3423 7.3423 7.4118 7.4118 7.4587 7.4587 8.1004 8.1004 8.1289 8.1289 8.2182 8.2182 8.3224 8.3224 8.6066 8.6066 10.3553 10.3553 10.3795 10.3795 10.4020 10.4020 11.7900 11.7900 13.1347 13.1347 14.6751 14.6751 14.8672 14.8672 k = 0.1765-0.1019 0.1441 ( 2489 PWs) bands (ev): -38.0322 -38.0322 -17.0412 -17.0412 -16.5396 -16.5396 -16.5365 -16.5365 2.7511 2.7511 6.9225 6.9225 7.3143 7.3143 7.3536 7.3536 7.4244 7.4244 7.4684 7.4684 8.0730 8.0730 8.1252 8.1252 8.2022 8.2022 8.3186 8.3186 8.6061 8.6061 10.3308 10.3308 10.3543 10.3543 10.3750 10.3750 11.6796 11.6796 13.1309 13.1309 14.7005 14.7005 14.8715 14.8715 k = 0.1863-0.1075 0.1521 ( 2497 PWs) bands (ev): -38.0322 -38.0322 -17.0416 -17.0416 -16.5402 -16.5402 -16.5368 -16.5368 2.8077 2.8077 6.8960 6.8960 7.3237 7.3237 7.3650 7.3650 7.4371 7.4371 7.4784 7.4784 8.0390 8.0390 8.1212 8.1212 8.1904 8.1904 8.3160 8.3160 8.6056 8.6056 10.3060 10.3060 10.3302 10.3302 10.3482 10.3482 11.5693 11.5693 13.1269 13.1269 14.7268 14.7268 14.8660 14.8660 k = 0.1961-0.1132 0.1601 ( 2501 PWs) bands (ev): -38.0321 -38.0321 -17.0420 -17.0420 -16.5408 -16.5408 -16.5370 -16.5370 2.8671 2.8671 6.8686 6.8686 7.3334 7.3334 7.3767 7.3767 7.4498 7.4498 7.4888 7.4888 8.0003 8.0003 8.1170 8.1170 8.1817 8.1817 8.3142 8.3142 8.6050 8.6050 10.2811 10.2811 10.3074 10.3074 10.3217 10.3217 11.4591 11.4591 13.1227 13.1227 14.7538 14.7538 14.8507 14.8507 k = 0.2059-0.1189 0.1681 ( 2501 PWs) bands (ev): -38.0321 -38.0321 -17.0423 -17.0423 -16.5413 -16.5413 -16.5372 -16.5372 2.9292 2.9292 6.8404 6.8404 7.3434 7.3434 7.3886 7.3886 7.4625 7.4625 7.4996 7.4996 7.9588 7.9588 8.1126 8.1126 8.1748 8.1748 8.3130 8.3130 8.6045 8.6045 10.2563 10.2563 10.2859 10.2859 10.2957 10.2957 11.3492 11.3492 13.1184 13.1184 14.7804 14.7804 14.8268 14.8268 k = 0.2157-0.1245 0.1761 ( 2493 PWs) bands (ev): -38.0320 -38.0320 -17.0427 -17.0427 -16.5419 -16.5419 -16.5374 -16.5374 2.9938 2.9938 6.8115 6.8115 7.3537 7.3537 7.4005 7.4005 7.4751 7.4751 7.5109 7.5109 7.9157 7.9157 8.1081 8.1081 8.1689 8.1689 8.3123 8.3123 8.6040 8.6040 10.2318 10.2318 10.2656 10.2656 10.2703 10.2703 11.2397 11.2397 13.1140 13.1140 14.7851 14.7851 14.7938 14.7938 k = 0.2255-0.1302 0.1841 ( 2485 PWs) bands (ev): -38.0320 -38.0320 -17.0430 -17.0430 -16.5424 -16.5424 -16.5377 -16.5377 3.0609 3.0609 6.7819 6.7819 7.3640 7.3640 7.4123 7.4123 7.4875 7.4875 7.5227 7.5227 7.8719 7.8719 8.1034 8.1034 8.1634 8.1634 8.3118 8.3118 8.6036 8.6036 10.2079 10.2079 10.2455 10.2455 10.2464 10.2464 11.1305 11.1305 13.1096 13.1096 14.7463 14.7463 14.7526 14.7526 k = 0.2353-0.1358 0.1921 ( 2477 PWs) bands (ev): -38.0319 -38.0319 -17.0433 -17.0433 -16.5429 -16.5429 -16.5379 -16.5379 3.1305 3.1305 6.7517 6.7517 7.3746 7.3746 7.4237 7.4237 7.4994 7.4994 7.5350 7.5350 7.8283 7.8283 8.0986 8.0986 8.1581 8.1581 8.3117 8.3117 8.6031 8.6031 10.1846 10.1846 10.2215 10.2215 10.2282 10.2282 11.0219 11.0219 13.1051 13.1051 14.6982 14.6982 14.7050 14.7050 k = 0.2451-0.1415 0.2001 ( 2477 PWs) bands (ev): -38.0318 -38.0318 -17.0437 -17.0437 -16.5435 -16.5435 -16.5381 -16.5381 3.2025 3.2025 6.7209 6.7209 7.3851 7.3851 7.4342 7.4342 7.5108 7.5108 7.5477 7.5477 7.7856 7.7856 8.0934 8.0934 8.1528 8.1528 8.3117 8.3117 8.6026 8.6026 10.1621 10.1621 10.1983 10.1983 10.2109 10.2109 10.9138 10.9138 13.1004 13.1004 14.6445 14.6445 14.6520 14.6520 k = 0.2549-0.1472 0.2081 ( 2477 PWs) bands (ev): -38.0318 -38.0318 -17.0441 -17.0441 -16.5441 -16.5441 -16.5384 -16.5384 3.2767 3.2767 6.6896 6.6896 7.3958 7.3958 7.4434 7.4434 7.5215 7.5215 7.5609 7.5609 7.7446 7.7446 8.0881 8.0881 8.1473 8.1473 8.3120 8.3120 8.6021 8.6021 10.1404 10.1404 10.1759 10.1759 10.1946 10.1946 10.8063 10.8063 13.0958 13.0958 14.5865 14.5865 14.5949 14.5949 k = 0.2647-0.1528 0.2161 ( 2477 PWs) bands (ev): -38.0317 -38.0317 -17.0445 -17.0445 -16.5447 -16.5447 -16.5386 -16.5386 3.3530 3.3530 6.6578 6.6578 7.4064 7.4064 7.4501 7.4501 7.5316 7.5316 7.5746 7.5746 7.7068 7.7068 8.0826 8.0826 8.1416 8.1416 8.3125 8.3125 8.6016 8.6016 10.1197 10.1197 10.1545 10.1545 10.1791 10.1791 10.6996 10.6996 13.0910 13.0910 14.5255 14.5255 14.5348 14.5348 k = 0.2745-0.1585 0.2241 ( 2469 PWs) bands (ev): -38.0317 -38.0317 -17.0448 -17.0448 -16.5452 -16.5452 -16.5389 -16.5389 3.4315 3.4315 6.6257 6.6257 7.4169 7.4169 7.4529 7.4529 7.5413 7.5413 7.5885 7.5885 7.6737 7.6737 8.0770 8.0770 8.1356 8.1356 8.3131 8.3131 8.6011 8.6011 10.1000 10.1000 10.1340 10.1340 10.1645 10.1645 10.5936 10.5936 13.0863 13.0863 14.4625 14.4625 14.4726 14.4726 k = 0.2843-0.1641 0.2321 ( 2469 PWs) bands (ev): -38.0316 -38.0316 -17.0452 -17.0452 -16.5457 -16.5457 -16.5391 -16.5391 3.5118 3.5118 6.5931 6.5931 7.4272 7.4272 7.4497 7.4497 7.5499 7.5499 7.6027 7.6027 7.6478 7.6478 8.0712 8.0712 8.1295 8.1295 8.3139 8.3139 8.6007 8.6007 10.0815 10.0815 10.1146 10.1146 10.1506 10.1506 10.4886 10.4886 13.0817 13.0817 14.3982 14.3982 14.4091 14.4091 k = 0.2941-0.1698 0.2401 ( 2469 PWs) bands (ev): -38.0316 -38.0316 -17.0455 -17.0455 -16.5463 -16.5463 -16.5394 -16.5394 3.5940 3.5940 6.5602 6.5602 7.4333 7.4333 7.4424 7.4424 7.5576 7.5576 7.6171 7.6171 7.6312 7.6312 8.0651 8.0651 8.1230 8.1230 8.3149 8.3149 8.6003 8.6003 10.0640 10.0640 10.0961 10.0961 10.1376 10.1376 10.3848 10.3848 13.0770 13.0770 14.3334 14.3334 14.3451 14.3451 k = 0.3039-0.1755 0.2482 ( 2469 PWs) bands (ev): -38.0315 -38.0315 -17.0459 -17.0459 -16.5468 -16.5468 -16.5396 -16.5396 3.6778 3.6778 6.5270 6.5270 7.4167 7.4167 7.4494 7.4494 7.5646 7.5646 7.6242 7.6242 7.6316 7.6316 8.0588 8.0588 8.1161 8.1161 8.3159 8.3159 8.6000 8.6000 10.0476 10.0476 10.0785 10.0785 10.1253 10.1253 10.2824 10.2824 13.0722 13.0722 14.2688 14.2688 14.2812 14.2812 k = 0.3137-0.1811 0.2562 ( 2469 PWs) bands (ev): -38.0315 -38.0315 -17.0462 -17.0462 -16.5474 -16.5474 -16.5398 -16.5398 3.7632 3.7632 6.4934 6.4934 7.3907 7.3907 7.4592 7.4592 7.5706 7.5706 7.6248 7.6248 7.6461 7.6461 8.0523 8.0523 8.1090 8.1090 8.3170 8.3170 8.5996 8.5996 10.0323 10.0323 10.0613 10.0613 10.1137 10.1137 10.1822 10.1822 13.0677 13.0677 14.2048 14.2048 14.2178 14.2178 k = 0.3235-0.1868 0.2642 ( 2465 PWs) bands (ev): -38.0314 -38.0314 -17.0466 -17.0466 -16.5478 -16.5478 -16.5400 -16.5400 3.8499 3.8499 6.4595 6.4595 7.3609 7.3609 7.4690 7.4690 7.5756 7.5756 7.6306 7.6306 7.6606 7.6606 8.0456 8.0456 8.1017 8.1017 8.3182 8.3182 8.5993 8.5993 10.0181 10.0181 10.0415 10.0415 10.0875 10.0875 10.1028 10.1028 13.0632 13.0632 14.1420 14.1420 14.1556 14.1556 k = 0.3333-0.1925 0.2722 ( 2465 PWs) bands (ev): -38.0314 -38.0314 -17.0469 -17.0469 -16.5483 -16.5483 -16.5403 -16.5403 3.9377 3.9377 6.4252 6.4252 7.3293 7.3293 7.4785 7.4785 7.5796 7.5796 7.6397 7.6397 7.6749 7.6749 8.0387 8.0387 8.0940 8.0940 8.3195 8.3195 8.5990 8.5990 9.9781 9.9781 10.0050 10.0050 10.0395 10.0395 10.0926 10.0926 13.0588 13.0588 14.0806 14.0806 14.0949 14.0949 k = 0.3431-0.1981 0.2802 ( 2466 PWs) bands (ev): -38.0313 -38.0313 -17.0472 -17.0472 -16.5488 -16.5488 -16.5405 -16.5405 4.0265 4.0265 6.3906 6.3906 7.2972 7.2972 7.4878 7.4878 7.5824 7.5824 7.6507 7.6507 7.6891 7.6891 8.0315 8.0315 8.0861 8.0861 8.3208 8.3208 8.5988 8.5988 9.8861 9.8861 9.9930 9.9930 10.0237 10.0237 10.0831 10.0831 13.0545 13.0545 14.0212 14.0212 14.0359 14.0359 k = 0.3529-0.2038 0.2882 ( 2470 PWs) bands (ev): -38.0313 -38.0313 -17.0475 -17.0475 -16.5493 -16.5493 -16.5407 -16.5407 4.1159 4.1159 6.3555 6.3555 7.2655 7.2655 7.4967 7.4967 7.5841 7.5841 7.6629 7.6629 7.7030 7.7030 8.0241 8.0241 8.0780 8.0780 8.3221 8.3221 8.5986 8.5986 9.7950 9.7950 9.9820 9.9820 10.0110 10.0110 10.0742 10.0742 13.0504 13.0504 13.9639 13.9639 13.9792 13.9792 k = 0.3627-0.2094 0.2962 ( 2470 PWs) bands (ev): -38.0312 -38.0312 -17.0478 -17.0478 -16.5497 -16.5497 -16.5409 -16.5409 4.2058 4.2058 6.3200 6.3200 7.2349 7.2349 7.5053 7.5053 7.5845 7.5845 7.6758 7.6758 7.7167 7.7167 8.0164 8.0164 8.0697 8.0697 8.3234 8.3234 8.5985 8.5985 9.7067 9.7067 9.9721 9.9721 9.9998 9.9998 10.0659 10.0659 13.0464 13.0464 13.9090 13.9090 13.9249 13.9249 k = 0.3725-0.2151 0.3042 ( 2470 PWs) bands (ev): -38.0312 -38.0312 -17.0481 -17.0481 -16.5501 -16.5501 -16.5411 -16.5411 4.2959 4.2959 6.2840 6.2840 7.2056 7.2056 7.5134 7.5134 7.5837 7.5837 7.6892 7.6892 7.7301 7.7301 8.0085 8.0085 8.0611 8.0611 8.3247 8.3247 8.5983 8.5983 9.6220 9.6220 9.9631 9.9631 9.9897 9.9897 10.0583 10.0583 13.0426 13.0426 13.8566 13.8566 13.8733 13.8733 k = 0.3824-0.2208 0.3122 ( 2462 PWs) bands (ev): -38.0312 -38.0312 -17.0483 -17.0483 -16.5505 -16.5505 -16.5412 -16.5412 4.3857 4.3857 6.2474 6.2474 7.1780 7.1780 7.5211 7.5211 7.5816 7.5816 7.7028 7.7028 7.7432 7.7432 8.0004 8.0004 8.0525 8.0525 8.3260 8.3260 8.5983 8.5983 9.5414 9.5414 9.9552 9.9552 9.9806 9.9806 10.0513 10.0513 13.0390 13.0390 13.8067 13.8067 13.8246 13.8246 k = 0.3922-0.2264 0.3202 ( 2462 PWs) bands (ev): -38.0311 -38.0311 -17.0486 -17.0486 -16.5508 -16.5508 -16.5414 -16.5414 4.4750 4.4750 6.2100 6.2100 7.1520 7.1520 7.5283 7.5283 7.5783 7.5783 7.7163 7.7163 7.7558 7.7558 7.9921 7.9921 8.0437 8.0437 8.3272 8.3272 8.5983 8.5983 9.4656 9.4656 9.9480 9.9480 9.9725 9.9725 10.0448 10.0448 13.0356 13.0356 13.7577 13.7577 13.7742 13.7742 k = 0.4020-0.2321 0.3282 ( 2450 PWs) bands (ev): -38.0311 -38.0311 -17.0487 -17.0487 -16.5511 -16.5511 -16.5415 -16.5415 4.5632 4.5632 6.1720 6.1720 7.1281 7.1281 7.5350 7.5350 7.5738 7.5738 7.7297 7.7297 7.7681 7.7681 7.9837 7.9837 8.0350 8.0350 8.3285 8.3285 8.5984 8.5984 9.3949 9.3949 9.9418 9.9418 9.9653 9.9653 10.0390 10.0390 13.0325 13.0325 13.7057 13.7057 13.7246 13.7246 k = 0.4118-0.2377 0.3362 ( 2458 PWs) bands (ev): -38.0311 -38.0311 -17.0490 -17.0490 -16.5515 -16.5515 -16.5416 -16.5416 4.6498 4.6498 6.1332 6.1332 7.1061 7.1061 7.5411 7.5411 7.5683 7.5683 7.7428 7.7428 7.7798 7.7798 7.9751 7.9751 8.0261 8.0261 8.3296 8.3296 8.5985 8.5985 9.3297 9.3297 9.9363 9.9363 9.9589 9.9589 10.0337 10.0337 13.0296 13.0296 13.6543 13.6543 13.6839 13.6839 k = 0.4216-0.2434 0.3442 ( 2470 PWs) bands (ev): -38.0310 -38.0310 -17.0492 -17.0492 -16.5518 -16.5518 -16.5418 -16.5418 4.7341 4.7341 6.0939 6.0939 7.0862 7.0862 7.5467 7.5467 7.5619 7.5619 7.7554 7.7554 7.7911 7.7911 7.9664 7.9664 8.0174 8.0174 8.3306 8.3306 8.5986 8.5986 9.2705 9.2705 9.9315 9.9315 9.9534 9.9534 10.0290 10.0290 13.0269 13.0269 13.6074 13.6074 13.6479 13.6479 k = 0.4314-0.2491 0.3522 ( 2470 PWs) bands (ev): -38.0310 -38.0310 -17.0493 -17.0493 -16.5520 -16.5520 -16.5419 -16.5419 4.8154 4.8154 6.0541 6.0541 7.0686 7.0686 7.5516 7.5516 7.5550 7.5550 7.7675 7.7675 7.8019 7.8019 7.9579 7.9579 8.0088 8.0088 8.3315 8.3315 8.5988 8.5988 9.2178 9.2178 9.9274 9.9274 9.9486 9.9486 10.0249 10.0249 13.0245 13.0245 13.5660 13.5660 13.6162 13.6162 k = 0.4412-0.2547 0.3602 ( 2470 PWs) bands (ev): -38.0310 -38.0310 -17.0495 -17.0495 -16.5523 -16.5523 -16.5420 -16.5420 4.8927 4.8927 6.0143 6.0143 7.0532 7.0532 7.5478 7.5478 7.5560 7.5560 7.7788 7.7788 7.8120 7.8120 7.9495 7.9495 8.0006 8.0006 8.3323 8.3323 8.5990 8.5990 9.1717 9.1717 9.9240 9.9240 9.9445 9.9445 10.0213 10.0213 13.0225 13.0225 13.5302 13.5302 13.5885 13.5885 k = 0.4510-0.2604 0.3682 ( 2470 PWs) bands (ev): -38.0310 -38.0310 -17.0496 -17.0496 -16.5524 -16.5524 -16.5421 -16.5421 4.9647 4.9647 5.9753 5.9753 7.0400 7.0400 7.5408 7.5408 7.5597 7.5597 7.7892 7.7892 7.8215 7.8215 7.9414 7.9414 7.9929 7.9929 8.3330 8.3330 8.5992 8.5992 9.1325 9.1325 9.9212 9.9212 9.9412 9.9412 10.0183 10.0183 13.0207 13.0207 13.5000 13.5000 13.5650 13.5650 k = 0.4608-0.2660 0.3762 ( 2466 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5526 -16.5526 -16.5421 -16.5421 5.0295 5.0295 5.9383 5.9383 7.0293 7.0293 7.5344 7.5344 7.5627 7.5627 7.7984 7.7984 7.8302 7.8302 7.9338 7.9338 7.9859 7.9859 8.3336 8.3336 8.5994 8.5994 9.1003 9.1003 9.9190 9.9190 9.9385 9.9385 10.0158 10.0158 13.0192 13.0192 13.4753 13.4753 13.5456 13.5456 k = 0.4706-0.2717 0.3842 ( 2466 PWs) bands (ev): -38.0310 -38.0310 -17.0498 -17.0498 -16.5527 -16.5527 -16.5422 -16.5422 5.0850 5.0850 5.9050 5.9050 7.0209 7.0209 7.5288 7.5288 7.5651 7.5651 7.8061 7.8061 7.8379 7.8379 7.9270 7.9270 7.9800 7.9800 8.3340 8.3340 8.5996 8.5996 9.0751 9.0751 9.9173 9.9173 9.9364 9.9364 10.0139 10.0139 13.0181 13.0181 13.4561 13.4561 13.5305 13.5305 k = 0.4804-0.2774 0.3922 ( 2466 PWs) bands (ev): -38.0310 -38.0310 -17.0498 -17.0498 -16.5528 -16.5528 -16.5422 -16.5422 5.1282 5.1282 5.8779 5.8779 7.0149 7.0149 7.5246 7.5246 7.5668 7.5668 7.8120 7.8120 7.8440 7.8440 7.9214 7.9214 7.9753 7.9753 8.3344 8.3344 8.5997 8.5997 9.0572 9.0572 9.9161 9.9161 9.9349 9.9349 10.0125 10.0125 13.0172 13.0172 13.4425 13.4425 13.5197 13.5197 k = 0.4902-0.2830 0.4002 ( 2462 PWs) bands (ev): -38.0309 -38.0309 -17.0498 -17.0498 -16.5528 -16.5528 -16.5422 -16.5422 5.1560 5.1560 5.8600 5.8600 7.0114 7.0114 7.5219 7.5219 7.5678 7.5678 7.8158 7.8158 7.8481 7.8481 7.9177 7.9177 7.9724 7.9724 8.3345 8.3345 8.5998 8.5998 9.0464 9.0464 9.9154 9.9154 9.9341 9.9341 10.0117 10.0117 13.0167 13.0167 13.4343 13.4343 13.5131 13.5131 k = 0.5000-0.2887 0.4082 ( 2466 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5528 -16.5528 -16.5422 -16.5422 5.1656 5.1656 5.8536 5.8536 7.0102 7.0102 7.5210 7.5210 7.5682 7.5682 7.8171 7.8171 7.8496 7.8496 7.9163 7.9163 7.9713 7.9713 8.3346 8.3346 8.5999 8.5999 9.0426 9.0426 9.9152 9.9152 9.9338 9.9338 10.0115 10.0115 13.0166 13.0166 13.4315 13.4315 13.5109 13.5109 k = 0.5000-0.2887 0.4082 ( 2466 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5528 -16.5528 -16.5422 -16.5422 5.1656 5.1656 5.8536 5.8536 7.0102 7.0102 7.5210 7.5210 7.5682 7.5682 7.8171 7.8171 7.8496 7.8496 7.9163 7.9163 7.9713 7.9713 8.3346 8.3346 8.5999 8.5999 9.0426 9.0426 9.9152 9.9152 9.9338 9.9338 10.0115 10.0115 13.0166 13.0166 13.4315 13.4315 13.5109 13.5109 k = 0.5000-0.2776 0.4161 ( 2462 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5528 -16.5528 -16.5422 -16.5422 5.1661 5.1661 5.8546 5.8546 7.0093 7.0093 7.5206 7.5206 7.5685 7.5685 7.8170 7.8170 7.8503 7.8503 7.9165 7.9165 7.9718 7.9718 8.3342 8.3342 8.5982 8.5982 9.0426 9.0426 9.8695 9.8695 9.9208 9.9208 10.0691 10.0691 13.0185 13.0185 13.4347 13.4347 13.5106 13.5106 k = 0.5000-0.2665 0.4240 ( 2464 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5528 -16.5528 -16.5423 -16.5423 5.1676 5.1676 5.8576 5.8576 7.0067 7.0067 7.5197 7.5197 7.5694 7.5694 7.8168 7.8168 7.8523 7.8523 7.9172 7.9172 7.9730 7.9730 8.3331 8.3331 8.5930 8.5930 9.0427 9.0427 9.7918 9.7918 9.9063 9.9063 10.1583 10.1583 13.0242 13.0242 13.4441 13.4441 13.5093 13.5093 k = 0.5000-0.2554 0.4318 ( 2468 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5528 -16.5528 -16.5423 -16.5423 5.1700 5.1700 5.8627 5.8627 7.0022 7.0022 7.5182 7.5182 7.5710 7.5710 7.8165 7.8165 7.8555 7.8555 7.9182 7.9182 7.9750 7.9750 8.3311 8.3311 8.5845 8.5845 9.0427 9.0427 9.7148 9.7148 9.8836 9.8836 10.2536 10.2536 13.0330 13.0330 13.4597 13.4597 13.5063 13.5063 k = 0.5000-0.2443 0.4397 ( 2468 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5527 -16.5527 -16.5424 -16.5424 5.1734 5.1734 5.8697 5.8697 6.9959 6.9959 7.5163 7.5163 7.5730 7.5730 7.8162 7.8162 7.8596 7.8596 7.9196 7.9196 7.9779 7.9779 8.3284 8.3284 8.5725 8.5725 9.0429 9.0429 9.6417 9.6417 9.8527 9.8527 10.3522 10.3522 13.0443 13.0443 13.4810 13.4810 13.5014 13.5014 k = 0.5000-0.2332 0.4475 ( 2468 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5527 -16.5527 -16.5424 -16.5424 5.1777 5.1777 5.8787 5.8787 6.9880 6.9880 7.5140 7.5140 7.5755 7.5755 7.8162 7.8162 7.8647 7.8647 7.9215 7.9215 7.9818 7.9818 8.3249 8.3249 8.5568 8.5568 9.0430 9.0430 9.5732 9.5732 9.8145 9.8145 10.4535 10.4535 13.0572 13.0572 13.4910 13.4910 13.5108 13.5108 k = 0.5000-0.2221 0.4554 ( 2468 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5526 -16.5526 -16.5425 -16.5425 5.1829 5.1829 5.8896 5.8896 6.9782 6.9782 7.5114 7.5114 7.5784 7.5784 7.8163 7.8163 7.8704 7.8704 7.9239 7.9239 7.9867 7.9867 8.3208 8.3208 8.5376 8.5376 9.0431 9.0431 9.5101 9.5101 9.7695 9.7695 10.5569 10.5569 13.0708 13.0708 13.4811 13.4811 13.5288 13.5288 k = 0.5000-0.2110 0.4632 ( 2470 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5525 -16.5525 -16.5426 -16.5426 5.1888 5.1888 5.9025 5.9025 6.9666 6.9666 7.5085 7.5085 7.5817 7.5817 7.8166 7.8166 7.8767 7.8767 7.9266 7.9266 7.9927 7.9927 8.3159 8.3159 8.5149 8.5149 9.0432 9.0432 9.4525 9.4525 9.7188 9.7188 10.6620 10.6620 13.0847 13.0847 13.4681 13.4681 13.5326 13.5326 k = 0.5000-0.1999 0.4711 ( 2466 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5524 -16.5524 -16.5427 -16.5427 5.1955 5.1955 5.9173 5.9173 6.9533 6.9533 7.5055 7.5055 7.5854 7.5854 7.8170 7.8170 7.8833 7.8833 7.9297 7.9297 8.0000 8.0000 8.3104 8.3104 8.4888 8.4888 9.0433 9.0433 9.4006 9.4006 9.6633 9.6633 10.7686 10.7686 13.0982 13.0982 13.4525 13.4525 13.5362 13.5362 k = 0.5000-0.1887 0.4789 ( 2470 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5523 -16.5523 -16.5429 -16.5429 5.2027 5.2027 5.9340 5.9340 6.9381 6.9381 7.5022 7.5022 7.5894 7.5894 7.8177 7.8177 7.8902 7.8902 7.9333 7.9333 8.0088 8.0088 8.3042 8.3042 8.4595 8.4595 9.0433 9.0433 9.3543 9.3543 9.6037 9.6037 10.8763 10.8763 13.1112 13.1112 13.4344 13.4344 13.5401 13.5401 k = 0.5000-0.1776 0.4868 ( 2472 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5522 -16.5522 -16.5430 -16.5430 5.2105 5.2105 5.9525 5.9525 6.9211 6.9211 7.4989 7.4989 7.5939 7.5939 7.8184 7.8184 7.8970 7.8970 7.9372 7.9372 8.0192 8.0192 8.2975 8.2975 8.4275 8.4275 9.0433 9.0433 9.3135 9.3135 9.5410 9.5410 10.9849 10.9849 13.1236 13.1236 13.4135 13.4135 13.5443 13.5443 k = 0.5000-0.1665 0.4946 ( 2472 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5521 -16.5521 -16.5431 -16.5431 5.2188 5.2188 5.9728 5.9728 6.9023 6.9023 7.4954 7.4954 7.5988 7.5988 7.8191 7.8191 7.9037 7.9037 7.9414 7.9414 8.0315 8.0315 8.2903 8.2903 8.3935 8.3935 9.0432 9.0432 9.2778 9.2778 9.4761 9.4761 11.0940 11.0940 13.1353 13.1353 13.3898 13.3898 13.5487 13.5487 k = 0.5000-0.1554 0.5025 ( 2464 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5519 -16.5519 -16.5433 -16.5433 5.2273 5.2273 5.9948 5.9948 6.8818 6.8818 7.4920 7.4920 7.6041 7.6041 7.8197 7.8197 7.9101 7.9101 7.9460 7.9460 8.0457 8.0457 8.2827 8.2827 8.3580 8.3580 9.0430 9.0430 9.2470 9.2470 9.4098 9.4098 11.2035 11.2035 13.1463 13.1463 13.3632 13.3632 13.5533 13.5533 k = 0.5000-0.1443 0.5103 ( 2468 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5518 -16.5518 -16.5434 -16.5434 5.2361 5.2361 6.0185 6.0185 6.8594 6.8594 7.4885 7.4885 7.6100 7.6100 7.8202 7.8202 7.9161 7.9161 7.9507 7.9507 8.0620 8.0620 8.2744 8.2744 8.3219 8.3219 9.0424 9.0424 9.2200 9.2200 9.3430 9.3430 11.3130 11.3130 13.1567 13.1567 13.3335 13.3335 13.5579 13.5579 k = 0.5000-0.1332 0.5182 ( 2468 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5517 -16.5517 -16.5436 -16.5436 5.2449 5.2449 6.0439 6.0439 6.8353 6.8353 7.4851 7.4851 7.6163 7.6163 7.8203 7.8203 7.9216 7.9216 7.9556 7.9556 8.0803 8.0803 8.2651 8.2651 8.2868 8.2868 9.0411 9.0411 9.1961 9.1961 9.2772 9.2772 11.4222 11.4222 13.1664 13.1664 13.3006 13.3006 13.5626 13.5626 k = 0.5000-0.1221 0.5260 ( 2466 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5515 -16.5515 -16.5438 -16.5438 5.2537 5.2537 6.0708 6.0708 6.8095 6.8095 7.4817 7.4817 7.6233 7.6233 7.8200 7.8200 7.9267 7.9267 7.9607 7.9607 8.1007 8.1007 8.2456 8.2456 8.2626 8.2626 9.0385 9.0385 9.1722 9.1722 9.2159 9.2159 11.5309 11.5309 13.1755 13.1755 13.2643 13.2643 13.5672 13.5672 k = 0.5000-0.1110 0.5339 ( 2466 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5513 -16.5513 -16.5439 -16.5439 5.2623 5.2623 6.0992 6.0992 6.7820 6.7820 7.4785 7.4785 7.6309 7.6309 7.8191 7.8191 7.9312 7.9312 7.9657 7.9657 8.1229 8.1229 8.2136 8.2136 8.2527 8.2527 9.0321 9.0321 9.1354 9.1354 9.1748 9.1748 11.6387 11.6387 13.1837 13.1837 13.2248 13.2248 13.5717 13.5717 k = 0.5000-0.0999 0.5417 ( 2472 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5512 -16.5512 -16.5441 -16.5441 5.2706 5.2706 6.1289 6.1289 6.7530 6.7530 7.4754 7.4754 7.6390 7.6390 7.8175 7.8175 7.9352 7.9352 7.9705 7.9705 8.1456 8.1456 8.1829 8.1829 8.2452 8.2452 9.0133 9.0133 9.0925 9.0925 9.1555 9.1555 11.7454 11.7454 13.1781 13.1781 13.1946 13.1946 13.5760 13.5760 k = 0.5000-0.0888 0.5496 ( 2470 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5510 -16.5510 -16.5443 -16.5443 5.2784 5.2784 6.1600 6.1600 6.7225 6.7225 7.4725 7.4725 7.6480 7.6480 7.8148 7.8148 7.9388 7.9388 7.9747 7.9747 8.1491 8.1491 8.1737 8.1737 8.2407 8.2407 8.9709 8.9709 9.0704 9.0704 9.1424 9.1424 11.8507 11.8507 13.1324 13.1324 13.2002 13.2002 13.5801 13.5801 k = 0.5000-0.0777 0.5574 ( 2466 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5509 -16.5509 -16.5444 -16.5444 5.2857 5.2857 6.1922 6.1922 6.6907 6.6907 7.4698 7.4698 7.6577 7.6577 7.8109 7.8109 7.9420 7.9420 7.9780 7.9780 8.1255 8.1255 8.1905 8.1905 8.2436 8.2436 8.9147 8.9147 9.0628 9.0628 9.1321 9.1321 11.9542 11.9542 13.0812 13.0812 13.2066 13.2066 13.5838 13.5838 k = 0.5000-0.0666 0.5653 ( 2466 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5507 -16.5507 -16.5446 -16.5446 5.2922 5.2922 6.2255 6.2255 6.6577 6.6577 7.4674 7.4674 7.6681 7.6681 7.8057 7.8057 7.9448 7.9448 7.9800 7.9800 8.1048 8.1048 8.1968 8.1968 8.2612 8.2612 8.8554 8.8554 9.0599 9.0599 9.1238 9.1238 12.0557 12.0557 13.0257 13.0257 13.2123 13.2123 13.5871 13.5871 k = 0.5000-0.0555 0.5731 ( 2470 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5506 -16.5506 -16.5447 -16.5447 5.2980 5.2980 6.2597 6.2597 6.6236 6.6236 7.4652 7.4652 7.6791 7.6791 7.7988 7.7988 7.9474 7.9474 7.9802 7.9802 8.0888 8.0888 8.1947 8.1947 8.2900 8.2900 8.7964 8.7964 9.0585 9.0585 9.1171 9.1171 12.1549 12.1549 12.9662 12.9662 13.2173 13.2173 13.5901 13.5901 k = 0.5000-0.0444 0.5810 ( 2478 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5505 -16.5505 -16.5449 -16.5449 5.3028 5.3028 6.2946 6.2946 6.5887 6.5887 7.4634 7.4634 7.6909 7.6909 7.7903 7.7903 7.9497 7.9497 7.9784 7.9784 8.0778 8.0778 8.1901 8.1901 8.3239 8.3239 8.7394 8.7394 9.0579 9.0579 9.1119 9.1119 12.2515 12.2515 12.9024 12.9024 13.2215 13.2215 13.5925 13.5925 k = 0.5000-0.0333 0.5888 ( 2478 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5504 -16.5504 -16.5450 -16.5450 5.3067 5.3067 6.3301 6.3301 6.5533 6.5533 7.4619 7.4619 7.7032 7.7032 7.7803 7.7803 7.9519 7.9519 7.9753 7.9753 8.0712 8.0712 8.1854 8.1854 8.3604 8.3604 8.6854 8.6854 9.0576 9.0576 9.1079 9.1079 12.3452 12.3452 12.8346 12.8346 13.2248 13.2248 13.5945 13.5945 k = 0.5000-0.0222 0.5967 ( 2478 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5504 -16.5504 -16.5451 -16.5451 5.3095 5.3095 6.3657 6.3657 6.5176 6.5176 7.4609 7.4609 7.7158 7.7158 7.7692 7.7692 7.9539 7.9539 7.9717 7.9717 8.0678 8.0678 8.1815 8.1815 8.3971 8.3971 8.6361 8.6361 9.0575 9.0575 9.1051 9.1051 12.4358 12.4358 12.7626 12.7626 13.2272 13.2272 13.5959 13.5959 k = 0.5000-0.0111 0.6045 ( 2478 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5503 -16.5503 -16.5451 -16.5451 5.3112 5.3112 6.4003 6.4003 6.4830 6.4830 7.4603 7.4603 7.7284 7.7284 7.7574 7.7574 7.9557 7.9557 7.9686 7.9686 8.0664 8.0664 8.1790 8.1790 8.4294 8.4294 8.5963 8.5963 9.0574 9.0574 9.1034 9.1034 12.5231 12.5231 12.6866 12.6866 13.2286 13.2286 13.5967 13.5967 k = 0.5000 0.0000 0.6124 ( 2488 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5503 -16.5503 -16.5452 -16.5452 5.3117 5.3117 6.4230 6.4230 6.4602 6.4602 7.4600 7.4600 7.7368 7.7368 7.7492 7.7492 7.9564 7.9564 7.9673 7.9673 8.0660 8.0660 8.1781 8.1781 8.4444 8.4444 8.5788 8.5788 9.0574 9.0574 9.1028 9.1028 12.6066 12.6066 12.6068 12.6068 13.2291 13.2291 13.5970 13.5970 k = 0.5000 0.0000 0.6124 ( 2488 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5503 -16.5503 -16.5452 -16.5452 5.3117 5.3117 6.4230 6.4230 6.4602 6.4602 7.4600 7.4600 7.7368 7.7368 7.7492 7.7492 7.9564 7.9564 7.9673 7.9673 8.0660 8.0660 8.1781 8.1781 8.4444 8.4444 8.5788 8.5788 9.0574 9.0574 9.1028 9.1028 12.6066 12.6066 12.6068 12.6068 13.2291 13.2291 13.5970 13.5970 k = 0.4931 0.0120 0.6124 ( 2477 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5503 -16.5503 -16.5451 -16.5451 5.3104 5.3104 6.4097 6.4097 6.4740 6.4740 7.4603 7.4603 7.7315 7.7315 7.7543 7.7543 7.9559 7.9559 7.9671 7.9671 8.0661 8.0661 8.1784 8.1784 8.4350 8.4350 8.5860 8.5860 9.0601 9.0601 9.1076 9.1076 12.5453 12.5453 12.6649 12.6649 13.2309 13.2309 13.5973 13.5973 k = 0.4861 0.0241 0.6124 ( 2477 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5503 -16.5503 -16.5451 -16.5451 5.3067 5.3067 6.3876 6.3876 6.4970 6.4970 7.4608 7.4608 7.7226 7.7226 7.7625 7.7625 7.9548 7.9548 7.9658 7.9658 8.0663 8.0663 8.1790 8.1790 8.4146 8.4146 8.5984 8.5984 9.0645 9.0645 9.1268 9.1268 12.4793 12.4793 12.7213 12.7213 13.2364 13.2364 13.5980 13.5980 k = 0.4792 0.0361 0.6124 ( 2477 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5504 -16.5504 -16.5450 -16.5450 5.3011 5.3011 6.3652 6.3652 6.5205 6.5205 7.4617 7.4617 7.7132 7.7132 7.7705 7.7705 7.9530 7.9530 7.9637 7.9637 8.0670 8.0670 8.1798 8.1798 8.3916 8.3916 8.6067 8.6067 9.0665 9.0665 9.1654 9.1654 12.4090 12.4090 12.7758 12.7758 13.2455 13.2455 13.5990 13.5990 k = 0.4722 0.0481 0.6124 ( 2477 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5504 -16.5504 -16.5449 -16.5449 5.2942 5.2942 6.3437 6.3437 6.5431 6.5431 7.4629 7.4629 7.7038 7.7038 7.7776 7.7776 7.9488 7.9488 7.9623 7.9623 8.0684 8.0684 8.1808 8.1808 8.3697 8.3697 8.6078 8.6078 9.0666 9.0666 9.2218 9.2218 12.3346 12.3346 12.8282 12.8282 13.2581 13.2581 13.6000 13.6000 k = 0.4653 0.0601 0.6124 ( 2472 PWs) bands (ev): -38.0309 -38.0309 -17.0498 -17.0498 -16.5505 -16.5505 -16.5448 -16.5448 5.2865 5.2865 6.3234 6.3234 6.5644 6.5644 7.4643 7.4643 7.6945 7.6945 7.7834 7.7834 7.9416 7.9416 7.9626 7.9626 8.0708 8.0708 8.1817 8.1817 8.3505 8.3505 8.6023 8.6023 9.0658 9.0658 9.2925 9.2925 12.2565 12.2565 12.8784 12.8784 13.2740 13.2740 13.6010 13.6010 k = 0.4583 0.0722 0.6124 ( 2472 PWs) bands (ev): -38.0310 -38.0310 -17.0498 -17.0498 -16.5506 -16.5506 -16.5446 -16.5446 5.2782 5.2782 6.3044 6.3044 6.5841 6.5841 7.4660 7.4660 7.6855 7.6855 7.7875 7.7875 7.9320 7.9320 7.9640 7.9640 8.0747 8.0747 8.1825 8.1825 8.3344 8.3344 8.5916 8.5916 9.0648 9.0648 9.3742 9.3742 12.1747 12.1747 12.9263 12.9263 13.2931 13.2931 13.6019 13.6019 k = 0.4514 0.0842 0.6124 ( 2470 PWs) bands (ev): -38.0310 -38.0310 -17.0498 -17.0498 -16.5506 -16.5506 -16.5445 -16.5445 5.2696 5.2696 6.2869 6.2869 6.6023 6.6023 7.4679 7.4679 7.6767 7.6767 7.7897 7.7897 7.9212 7.9212 7.9659 7.9659 8.0803 8.0803 8.1834 8.1834 8.3215 8.3215 8.5773 8.5773 9.0636 9.0636 9.4641 9.4641 12.0897 12.0897 12.9717 12.9717 13.3153 13.3153 13.6024 13.6024 k = 0.4444 0.0962 0.6124 ( 2471 PWs) bands (ev): -38.0310 -38.0310 -17.0498 -17.0498 -16.5507 -16.5507 -16.5444 -16.5444 5.2611 5.2611 6.2707 6.2707 6.6187 6.6187 7.4699 7.4699 7.6683 7.6683 7.7896 7.7896 7.9102 7.9102 7.9678 7.9678 8.0877 8.0877 8.1841 8.1841 8.3113 8.3113 8.5606 8.5606 9.0625 9.0625 9.5601 9.5601 12.0019 12.0019 13.0145 13.0145 13.3404 13.3404 13.6025 13.6025 k = 0.4375 0.1083 0.6124 ( 2474 PWs) bands (ev): -38.0310 -38.0310 -17.0498 -17.0498 -16.5508 -16.5508 -16.5443 -16.5443 5.2529 5.2529 6.2560 6.2560 6.6335 6.6335 7.4722 7.4722 7.6602 7.6602 7.7872 7.7872 7.8998 7.8998 7.9695 7.9695 8.0970 8.0970 8.1850 8.1850 8.3033 8.3033 8.5423 8.5423 9.0615 9.0615 9.6605 9.6605 11.9116 11.9116 13.0545 13.0545 13.3680 13.3680 13.6021 13.6021 k = 0.4306 0.1203 0.6124 ( 2468 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5509 -16.5509 -16.5441 -16.5441 5.2451 5.2451 6.2429 6.2429 6.6467 6.6467 7.4747 7.4747 7.6526 7.6526 7.7826 7.7826 7.8909 7.8909 7.9709 7.9709 8.1081 8.1081 8.1861 8.1861 8.2972 8.2972 8.5233 8.5233 9.0606 9.0606 9.7637 9.7637 11.8195 11.8195 13.0916 13.0916 13.3982 13.3982 13.6012 13.6012 k = 0.4236 0.1323 0.6124 ( 2462 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5509 -16.5509 -16.5440 -16.5440 5.2379 5.2379 6.2312 6.2312 6.6583 6.6583 7.4773 7.4773 7.6454 7.6454 7.7762 7.7762 7.8836 7.8836 7.9719 7.9719 8.1205 8.1205 8.1875 8.1875 8.2922 8.2922 8.5040 8.5040 9.0598 9.0598 9.8682 9.8682 11.7262 11.7262 13.1254 13.1254 13.4306 13.4306 13.5999 13.5999 k = 0.4167 0.1443 0.6124 ( 2468 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5510 -16.5510 -16.5439 -16.5439 5.2314 5.2314 6.2211 6.2211 6.6683 6.6683 7.4799 7.4799 7.6385 7.6385 7.7685 7.7685 7.8781 7.8781 7.9724 7.9724 8.1334 8.1334 8.1895 8.1895 8.2879 8.2879 8.4850 8.4850 9.0590 9.0590 9.9722 9.9722 11.6330 11.6330 13.1556 13.1556 13.4649 13.4649 13.5981 13.5981 k = 0.4097 0.1564 0.6124 ( 2466 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5511 -16.5511 -16.5438 -16.5438 5.2257 5.2257 6.2125 6.2125 6.6767 6.6767 7.4826 7.4826 7.6323 7.6323 7.7605 7.7605 7.8740 7.8740 7.9728 7.9728 8.1462 8.1462 8.1927 8.1927 8.2838 8.2838 8.4670 8.4670 9.0584 9.0584 10.0737 10.0737 11.5413 11.5413 13.1821 13.1821 13.5007 13.5007 13.5961 13.5961 k = 0.4028 0.1684 0.6124 ( 2466 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5511 -16.5511 -16.5437 -16.5437 5.2210 5.2210 6.2055 6.2055 6.6836 6.6836 7.4852 7.4852 7.6268 7.6268 7.7529 7.7529 7.8712 7.8712 7.9729 7.9729 8.1571 8.1571 8.1979 8.1979 8.2795 8.2795 8.4505 8.4505 9.0580 9.0580 10.1699 10.1699 11.4535 11.4535 13.2046 13.2046 13.5373 13.5373 13.5942 13.5942 k = 0.3958 0.1804 0.6124 ( 2464 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5512 -16.5512 -16.5436 -16.5436 5.2173 5.2173 6.2000 6.2000 6.6889 6.6889 7.4875 7.4875 7.6222 7.6222 7.7465 7.7465 7.8693 7.8693 7.9729 7.9729 8.1650 8.1650 8.2058 8.2058 8.2746 8.2746 8.4363 8.4363 9.0576 9.0576 10.2569 10.2569 11.3734 11.3734 13.2225 13.2225 13.5727 13.5727 13.5934 13.5934 k = 0.3889 0.1925 0.6124 ( 2465 PWs) bands (ev): -38.0310 -38.0310 -17.0496 -17.0496 -16.5512 -16.5512 -16.5436 -16.5436 5.2145 5.2145 6.1961 6.1961 6.6927 6.6927 7.4893 7.4893 7.6186 7.6186 7.7416 7.7416 7.8680 7.8680 7.9729 7.9729 8.1697 8.1697 8.2156 8.2156 8.2689 8.2689 8.4252 8.4252 9.0573 9.0573 10.3288 10.3288 11.3066 11.3066 13.2357 13.2357 13.5878 13.5878 13.6116 13.6116 k = 0.3819 0.2045 0.6124 ( 2469 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5512 -16.5512 -16.5435 -16.5435 5.2129 5.2129 6.1937 6.1937 6.6950 6.6950 7.4905 7.4905 7.6164 7.6164 7.7385 7.7385 7.8673 7.8673 7.9728 7.9728 8.1720 8.1720 8.2248 8.2248 8.2631 8.2631 8.4182 8.4182 9.0571 9.0571 10.3776 10.3776 11.2609 11.2609 13.2437 13.2437 13.5876 13.5876 13.6394 13.6394 k = 0.3750 0.2165 0.6124 ( 2482 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5513 -16.5513 -16.5436 -16.5436 5.2123 5.2123 6.1929 6.1929 6.6957 6.6957 7.4909 7.4909 7.6156 7.6156 7.7374 7.7374 7.8670 7.8670 7.9727 7.9727 8.1726 8.1726 8.2290 8.2290 8.2601 8.2601 8.4157 8.4157 9.0570 9.0570 10.3951 10.3951 11.2444 11.2444 13.2464 13.2464 13.5873 13.5873 13.6516 13.6516 k = 0.3750 0.2165 0.6124 ( 2482 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5513 -16.5513 -16.5436 -16.5436 5.2123 5.2123 6.1929 6.1929 6.6957 6.6957 7.4909 7.4909 7.6156 7.6156 7.7374 7.7374 7.8670 7.8670 7.9727 7.9727 8.1726 8.1726 8.2290 8.2290 8.2601 8.2601 8.4157 8.4157 9.0570 9.0570 10.3951 10.3951 11.2444 11.2444 13.2464 13.2464 13.5873 13.5873 13.6516 13.6516 k = 0.3681 0.2125 0.6010 ( 2472 PWs) bands (ev): -38.0310 -38.0310 -17.0496 -17.0496 -16.5511 -16.5511 -16.5435 -16.5435 5.1984 5.1984 6.2314 6.2314 6.6656 6.6656 7.4902 7.4902 7.6154 7.6154 7.7246 7.7246 7.8712 7.8712 7.9749 7.9749 8.1634 8.1634 8.2092 8.2092 8.2440 8.2440 8.4089 8.4089 9.0584 9.0584 10.4358 10.4358 11.3127 11.3127 13.2142 13.2142 13.6003 13.6003 13.7198 13.7198 k = 0.3611 0.2085 0.5897 ( 2472 PWs) bands (ev): -38.0310 -38.0310 -17.0496 -17.0496 -16.5510 -16.5510 -16.5435 -16.5435 5.1790 5.1790 6.2720 6.2720 6.6372 6.6372 7.4897 7.4897 7.6124 7.6124 7.7141 7.7141 7.8748 7.8748 7.9755 7.9755 8.1496 8.1496 8.1902 8.1902 8.2238 8.2238 8.4193 8.4193 9.0598 9.0598 10.4772 10.4772 11.3831 11.3831 13.1801 13.1801 13.6146 13.6146 13.7752 13.7752 k = 0.3542 0.2045 0.5784 ( 2472 PWs) bands (ev): -38.0310 -38.0310 -17.0495 -17.0495 -16.5509 -16.5509 -16.5435 -16.5435 5.1534 5.1534 6.3145 6.3145 6.6115 6.6115 7.4894 7.4894 7.6058 7.6058 7.7070 7.7070 7.8778 7.8778 7.9742 7.9742 8.1332 8.1332 8.1749 8.1749 8.2016 8.2016 8.4400 8.4400 9.0613 9.0613 10.5191 10.5191 11.4558 11.4558 13.1441 13.1441 13.6305 13.6305 13.7672 13.7672 k = 0.3472 0.2005 0.5670 ( 2470 PWs) bands (ev): -38.0310 -38.0310 -17.0494 -17.0494 -16.5508 -16.5508 -16.5434 -16.5434 5.1212 5.1212 6.3590 6.3590 6.5894 6.5894 7.4894 7.4894 7.5952 7.5952 7.7037 7.7037 7.8796 7.8796 7.9711 7.9711 8.1167 8.1167 8.1634 8.1634 8.1796 8.1796 8.4666 8.4666 9.0630 9.0630 10.5616 10.5616 11.5310 11.5310 13.1062 13.1062 13.6480 13.6480 13.7557 13.7557 k = 0.3403 0.1965 0.5557 ( 2476 PWs) bands (ev): -38.0310 -38.0310 -17.0493 -17.0493 -16.5508 -16.5508 -16.5433 -16.5433 5.0819 5.0819 6.4054 6.4054 6.5716 6.5716 7.4895 7.4895 7.5811 7.5811 7.7039 7.7039 7.8800 7.8800 7.9666 7.9666 8.1018 8.1018 8.1552 8.1552 8.1584 8.1584 8.4966 8.4966 9.0648 9.0648 10.6045 10.6045 11.6090 11.6090 13.0664 13.0664 13.6671 13.6671 13.7419 13.7419 k = 0.3333 0.1925 0.5443 ( 2492 PWs) bands (ev): -38.0310 -38.0310 -17.0493 -17.0493 -16.5507 -16.5507 -16.5432 -16.5432 5.0357 5.0357 6.4536 6.4536 6.5584 6.5584 7.4896 7.4896 7.5646 7.5646 7.7065 7.7065 7.8788 7.8788 7.9616 7.9616 8.0882 8.0882 8.1384 8.1384 8.1501 8.1501 8.5288 8.5288 9.0666 9.0666 10.6479 10.6479 11.6897 11.6897 13.0247 13.0247 13.6868 13.6868 13.7269 13.7269 k = 0.3264 0.1884 0.5330 ( 2480 PWs) bands (ev): -38.0311 -38.0311 -17.0491 -17.0491 -16.5506 -16.5506 -16.5430 -16.5430 4.9826 4.9826 6.5037 6.5037 6.5504 6.5504 7.4898 7.4898 7.5466 7.5466 7.7110 7.7110 7.8756 7.8756 7.9570 7.9570 8.0759 8.0759 8.1198 8.1198 8.1482 8.1482 8.5627 8.5627 9.0688 9.0688 10.6919 10.6919 11.7735 11.7735 12.9813 12.9813 13.6971 13.6971 13.7213 13.7213 k = 0.3194 0.1844 0.5217 ( 2480 PWs) bands (ev): -38.0311 -38.0311 -17.0490 -17.0490 -16.5505 -16.5505 -16.5428 -16.5428 4.9231 4.9231 6.5460 6.5460 6.5567 6.5567 7.4894 7.4894 7.5282 7.5282 7.7166 7.7166 7.8708 7.8708 7.9532 7.9532 8.0643 8.0643 8.1030 8.1030 8.1487 8.1487 8.5979 8.5979 9.0712 9.0712 10.7363 10.7363 11.8603 11.8603 12.9360 12.9360 13.6818 13.6818 13.7413 13.7413 k = 0.3125 0.1804 0.5103 ( 2468 PWs) bands (ev): -38.0311 -38.0311 -17.0488 -17.0488 -16.5504 -16.5504 -16.5425 -16.5425 4.8576 4.8576 6.5483 6.5483 6.6095 6.6095 7.4872 7.4872 7.5113 7.5113 7.7229 7.7229 7.8647 7.8647 7.9502 7.9502 8.0528 8.0528 8.0885 8.0885 8.1514 8.1514 8.6344 8.6344 9.0739 9.0739 10.7813 10.7813 11.9502 11.9502 12.8890 12.8890 13.6606 13.6606 13.7678 13.7678 k = 0.3056 0.1764 0.4990 ( 2476 PWs) bands (ev): -38.0311 -38.0311 -17.0487 -17.0487 -16.5503 -16.5503 -16.5423 -16.5423 4.7869 4.7869 6.5541 6.5541 6.6646 6.6646 7.4779 7.4779 7.5010 7.5010 7.7295 7.7295 7.8578 7.8578 7.9473 7.9473 8.0412 8.0412 8.0769 8.0769 8.1555 8.1555 8.6718 8.6718 9.0767 9.0767 10.8268 10.8268 12.0432 12.0432 12.8403 12.8403 13.6374 13.6374 13.7969 13.7969 k = 0.2986 0.1724 0.4876 ( 2472 PWs) bands (ev): -38.0312 -38.0312 -17.0485 -17.0485 -16.5502 -16.5502 -16.5421 -16.5421 4.7117 4.7117 6.5638 6.5638 6.7212 6.7212 7.4613 7.4613 7.4981 7.4981 7.7362 7.7362 7.8506 7.8506 7.9446 7.9446 8.0292 8.0292 8.0691 8.0691 8.1609 8.1609 8.7102 8.7102 9.0799 9.0799 10.8727 10.8727 12.1393 12.1393 12.7899 12.7899 13.6128 13.6128 13.8283 13.8283 k = 0.2917 0.1684 0.4763 ( 2471 PWs) bands (ev): -38.0312 -38.0312 -17.0483 -17.0483 -16.5500 -16.5500 -16.5418 -16.5418 4.6327 4.6327 6.5769 6.5769 6.7791 6.7791 7.4424 7.4424 7.4973 7.4973 7.7425 7.7425 7.8432 7.8432 7.9418 7.9418 8.0172 8.0172 8.0648 8.0648 8.1670 8.1670 8.7497 8.7497 9.0835 9.0835 10.9192 10.9192 12.2384 12.2384 12.7380 12.7380 13.5872 13.5872 13.8618 13.8618 k = 0.2847 0.1644 0.4649 ( 2471 PWs) bands (ev): -38.0312 -38.0312 -17.0482 -17.0482 -16.5498 -16.5498 -16.5416 -16.5416 4.5507 4.5507 6.5928 6.5928 6.8382 6.8382 7.4234 7.4234 7.4969 7.4969 7.7482 7.7482 7.8357 7.8357 7.9393 7.9393 8.0058 8.0058 8.0635 8.0635 8.1736 8.1736 8.7903 8.7903 9.0875 9.0875 10.9662 10.9662 12.3404 12.3404 12.6846 12.6846 13.5610 13.5610 13.8974 13.8974 k = 0.2778 0.1604 0.4536 ( 2471 PWs) bands (ev): -38.0312 -38.0312 -17.0480 -17.0480 -16.5497 -16.5497 -16.5413 -16.5413 4.4663 4.4663 6.6111 6.6111 6.8982 6.8982 7.4046 7.4046 7.4963 7.4963 7.7527 7.7527 7.8283 7.8283 7.9373 7.9373 7.9958 7.9958 8.0646 8.0646 8.1805 8.1805 8.8319 8.8319 9.0921 9.0921 11.0138 11.0138 12.4450 12.4450 12.6297 12.6297 13.5345 13.5345 13.9350 13.9350 k = 0.2708 0.1564 0.4423 ( 2475 PWs) bands (ev): -38.0313 -38.0313 -17.0478 -17.0478 -16.5495 -16.5495 -16.5410 -16.5410 4.3801 4.3801 6.6312 6.6312 6.9587 6.9587 7.3865 7.3865 7.4953 7.4953 7.7555 7.7555 7.8208 7.8208 7.9363 7.9363 7.9879 7.9879 8.0676 8.0676 8.1876 8.1876 8.8746 8.8746 9.0975 9.0975 11.0619 11.0619 12.5518 12.5518 12.5736 12.5736 13.5081 13.5081 13.9746 13.9746 k = 0.2639 0.1524 0.4309 ( 2471 PWs) bands (ev): -38.0313 -38.0313 -17.0475 -17.0475 -16.5492 -16.5492 -16.5407 -16.5407 4.2927 4.2927 6.6528 6.6528 7.0192 7.0192 7.3694 7.3694 7.4939 7.4939 7.7562 7.7562 7.8137 7.8137 7.9367 7.9367 7.9826 7.9826 8.0722 8.0722 8.1948 8.1948 8.9183 8.9183 9.1038 9.1038 11.1106 11.1106 12.5162 12.5162 12.6604 12.6604 13.4825 13.4825 14.0160 14.0160 k = 0.2569 0.1483 0.4196 ( 2473 PWs) bands (ev): -38.0313 -38.0313 -17.0473 -17.0473 -16.5490 -16.5490 -16.5405 -16.5405 4.2046 4.2046 6.6756 6.6756 7.0789 7.0789 7.3536 7.3536 7.4920 7.4920 7.7544 7.7544 7.8069 7.8069 7.9386 7.9386 7.9801 7.9801 8.0779 8.0779 8.2019 8.2019 8.9629 8.9629 9.1116 9.1116 11.1599 11.1599 12.4576 12.4576 12.7695 12.7695 13.4588 13.4588 14.0592 14.0592 k = 0.2500 0.1443 0.4082 ( 2461 PWs) bands (ev): -38.0314 -38.0314 -17.0470 -17.0470 -16.5487 -16.5487 -16.5401 -16.5401 4.1162 4.1162 6.6991 6.6991 7.1365 7.1365 7.3400 7.3400 7.4895 7.4895 7.7503 7.7503 7.8010 7.8010 7.9423 7.9423 7.9807 7.9807 8.0846 8.0846 8.2090 8.2090 9.0076 9.0076 9.1217 9.1217 11.2099 11.2099 12.3981 12.3981 12.8770 12.8770 13.4390 13.4390 14.1041 14.1041 k = 0.2431 0.1403 0.3969 ( 2461 PWs) bands (ev): -38.0314 -38.0314 -17.0467 -17.0467 -16.5483 -16.5483 -16.5398 -16.5398 4.0278 4.0278 6.7230 6.7230 7.1890 7.1890 7.3306 7.3306 7.4863 7.4863 7.7439 7.7439 7.7963 7.7963 7.9479 7.9479 7.9838 7.9838 8.0920 8.0920 8.2159 8.2159 9.0506 9.0506 9.1362 9.1362 11.2605 11.2605 12.3376 12.3376 12.9787 12.9787 13.4272 13.4272 14.1504 14.1504 k = 0.2361 0.1363 0.3856 ( 2471 PWs) bands (ev): -38.0315 -38.0315 -17.0465 -17.0465 -16.5480 -16.5480 -16.5396 -16.5396 3.9398 3.9398 6.7472 6.7472 7.2292 7.2292 7.3316 7.3316 7.4826 7.4826 7.7356 7.7356 7.7941 7.7941 7.9552 7.9552 7.9892 7.9892 8.1001 8.1001 8.2227 8.2227 9.0874 9.0874 9.1597 9.1597 11.3117 11.3117 12.2762 12.2762 13.0661 13.0661 13.4318 13.4318 14.1979 14.1979 k = 0.2292 0.1323 0.3742 ( 2479 PWs) bands (ev): -38.0315 -38.0315 -17.0462 -17.0462 -16.5477 -16.5477 -16.5393 -16.5393 3.8526 3.8526 6.7714 6.7714 7.2468 7.2468 7.3515 7.3515 7.4784 7.4784 7.7257 7.7257 7.7959 7.7959 7.9643 7.9643 7.9963 7.9963 8.1089 8.1089 8.2291 8.2291 9.1137 9.1137 9.1969 9.1969 11.3636 11.3636 12.2142 12.2142 13.1255 13.1255 13.4661 13.4661 14.2465 14.2465 k = 0.2222 0.1283 0.3629 ( 2475 PWs) bands (ev): -38.0315 -38.0315 -17.0459 -17.0459 -16.5473 -16.5473 -16.5390 -16.5390 3.7662 3.7662 6.7954 6.7954 7.2464 7.2464 7.3840 7.3840 7.4740 7.4740 7.7144 7.7144 7.8037 7.8037 7.9748 7.9748 8.0049 8.0049 8.1183 8.1183 8.2354 8.2354 9.1329 9.1329 9.2447 9.2447 11.4162 11.4162 12.1516 12.1516 13.1501 13.1501 13.5365 13.5365 14.2957 14.2957 k = 0.2153 0.1243 0.3515 ( 2479 PWs) bands (ev): -38.0316 -38.0316 -17.0456 -17.0456 -16.5469 -16.5469 -16.5388 -16.5388 3.6811 3.6811 6.8192 6.8192 7.2392 7.2392 7.4153 7.4153 7.4697 7.4697 7.7019 7.7019 7.8194 7.8194 7.9863 7.9863 8.0146 8.0146 8.1282 8.1282 8.2414 8.2414 9.1498 9.1498 9.2983 9.2983 11.4696 11.4696 12.0885 12.0885 13.1493 13.1493 13.6328 13.6328 14.3452 14.3452 k = 0.2083 0.1203 0.3402 ( 2479 PWs) bands (ev): -38.0316 -38.0316 -17.0453 -17.0453 -16.5465 -16.5465 -16.5385 -16.5385 3.5974 3.5974 6.8426 6.8426 7.2300 7.2300 7.4371 7.4371 7.4673 7.4673 7.6886 7.6886 7.8443 7.8443 7.9987 7.9987 8.0250 8.0250 8.1389 8.1389 8.2472 8.2472 9.1672 9.1672 9.3554 9.3554 11.5236 11.5236 12.0252 12.0252 13.1351 13.1351 13.7418 13.7418 14.3946 14.3946 k = 0.2014 0.1163 0.3289 ( 2485 PWs) bands (ev): -38.0317 -38.0317 -17.0450 -17.0450 -16.5461 -16.5461 -16.5382 -16.5382 3.5153 3.5153 6.8654 6.8654 7.2204 7.2204 7.4441 7.4441 7.4707 7.4707 7.6745 7.6745 7.8781 7.8781 8.0119 8.0119 8.0360 8.0360 8.1502 8.1502 8.2527 8.2527 9.1861 9.1861 9.4150 9.4150 11.5784 11.5784 11.9616 11.9616 13.1147 13.1147 13.8543 13.8543 14.4433 14.4433 k = 0.1944 0.1123 0.3175 ( 2485 PWs) bands (ev): -38.0317 -38.0317 -17.0446 -17.0446 -16.5456 -16.5456 -16.5380 -16.5380 3.4348 3.4348 6.8877 6.8877 7.2112 7.2112 7.4410 7.4410 7.4756 7.4756 7.6599 7.6599 7.9186 7.9186 8.0260 8.0260 8.0473 8.0473 8.1624 8.1624 8.2580 8.2580 9.2073 9.2073 9.4767 9.4767 11.6339 11.6339 11.8980 11.8980 13.0915 13.0915 13.9638 13.9638 14.4908 14.4908 k = 0.1875 0.1083 0.3062 ( 2483 PWs) bands (ev): -38.0318 -38.0318 -17.0443 -17.0443 -16.5451 -16.5451 -16.5377 -16.5377 3.3563 3.3563 6.9094 6.9094 7.2025 7.2025 7.4349 7.4349 7.4768 7.4768 7.6450 7.6450 7.9622 7.9622 8.0419 8.0419 8.0592 8.0592 8.1754 8.1754 8.2632 8.2632 9.2313 9.2313 9.5402 9.5402 11.6901 11.6901 11.8346 11.8346 13.0673 13.0673 14.0637 14.0637 14.5364 14.5364 k = 0.1806 0.1042 0.2948 ( 2493 PWs) bands (ev): -38.0318 -38.0318 -17.0440 -17.0440 -16.5446 -16.5446 -16.5375 -16.5375 3.2798 3.2798 6.9304 6.9304 7.1945 7.1945 7.4276 7.4276 7.4740 7.4740 7.6299 7.6299 8.0029 8.0029 8.0611 8.0611 8.0730 8.0730 8.1894 8.1894 8.2682 8.2682 9.2586 9.2586 9.6050 9.6050 11.7453 11.7453 11.7729 11.7729 13.0431 13.0431 14.1465 14.1465 14.5793 14.5793 k = 0.1736 0.1002 0.2835 ( 2485 PWs) bands (ev): -38.0319 -38.0319 -17.0436 -17.0436 -16.5441 -16.5441 -16.5372 -16.5372 3.2055 3.2055 6.9508 6.9508 7.1874 7.1874 7.4198 7.4198 7.4682 7.4682 7.6148 7.6148 8.0324 8.0324 8.0776 8.0776 8.1011 8.1011 8.2045 8.2045 8.2732 8.2732 9.2898 9.2898 9.6711 9.6711 11.7069 11.7069 11.8061 11.8061 13.0196 13.0196 14.2064 14.2064 14.6188 14.6188 k = 0.1667 0.0962 0.2722 ( 2485 PWs) bands (ev): -38.0319 -38.0319 -17.0432 -17.0432 -16.5436 -16.5436 -16.5370 -16.5370 3.1334 3.1334 6.9703 6.9703 7.1810 7.1810 7.4115 7.4115 7.4603 7.4603 7.5995 7.5995 8.0508 8.0508 8.0891 8.0891 8.1430 8.1430 8.2209 8.2209 8.2785 8.2785 9.3253 9.3253 9.7379 9.7379 11.6445 11.6445 11.8645 11.8645 12.9976 12.9976 14.2428 14.2428 14.6539 14.6539 k = 0.1597 0.0922 0.2608 ( 2485 PWs) bands (ev): -38.0320 -38.0320 -17.0429 -17.0429 -16.5430 -16.5430 -16.5367 -16.5367 3.0636 3.0636 6.9891 6.9891 7.1756 7.1756 7.4030 7.4030 7.4511 7.4511 7.5844 7.5844 8.0640 8.0640 8.0992 8.0992 8.1869 8.1869 8.2390 8.2390 8.2846 8.2846 9.3655 9.3655 9.8052 9.8052 11.5824 11.5824 11.9238 11.9238 12.9774 12.9774 14.2603 14.2603 14.6839 14.6839 k = 0.1528 0.0882 0.2495 ( 2481 PWs) bands (ev): -38.0320 -38.0320 -17.0425 -17.0425 -16.5424 -16.5424 -16.5365 -16.5365 2.9962 2.9962 7.0071 7.0071 7.1711 7.1711 7.3943 7.3943 7.4409 7.4409 7.5693 7.5693 8.0749 8.0749 8.1084 8.1084 8.2255 8.2255 8.2604 8.2604 8.2932 8.2932 9.4105 9.4105 9.8725 9.8725 11.5210 11.5210 11.9840 11.9840 12.9594 12.9594 14.2654 14.2654 14.7082 14.7082 k = 0.1458 0.0842 0.2381 ( 2487 PWs) bands (ev): -38.0321 -38.0321 -17.0422 -17.0422 -16.5419 -16.5419 -16.5363 -16.5363 2.9314 2.9314 7.0242 7.0242 7.1674 7.1674 7.3855 7.3855 7.4303 7.4303 7.5543 7.5543 8.0844 8.0844 8.1167 8.1167 8.2519 8.2519 8.2838 8.2838 8.3101 8.3101 9.4606 9.4606 9.9395 9.9395 11.4605 11.4605 12.0449 12.0449 12.9441 12.9441 14.2633 14.2633 14.7264 14.7264 k = 0.1389 0.0802 0.2268 ( 2487 PWs) bands (ev): -38.0321 -38.0321 -17.0418 -17.0418 -16.5413 -16.5413 -16.5361 -16.5361 2.8692 2.8692 7.0405 7.0405 7.1646 7.1646 7.3766 7.3766 7.4194 7.4194 7.5396 7.5396 8.0929 8.0929 8.1241 8.1241 8.2675 8.2675 8.3022 8.3022 8.3404 8.3404 9.5157 9.5157 10.0057 10.0057 11.4009 11.4009 12.1065 12.1065 12.9318 12.9318 14.2576 14.2576 14.7382 14.7382 k = 0.1319 0.0762 0.2155 ( 2485 PWs) bands (ev): -38.0322 -38.0322 -17.0415 -17.0415 -16.5408 -16.5408 -16.5359 -16.5359 2.8096 2.8096 7.0559 7.0559 7.1629 7.1629 7.3677 7.3677 7.4085 7.4085 7.5251 7.5251 8.1006 8.1006 8.1306 8.1306 8.2767 8.2767 8.3203 8.3203 8.3743 8.3743 9.5757 9.5757 10.0706 10.0706 11.3425 11.3425 12.1689 12.1689 12.9228 12.9228 14.2506 14.2506 14.7440 14.7440 k = 0.1250 0.0722 0.2041 ( 2501 PWs) bands (ev): -38.0322 -38.0322 -17.0412 -17.0412 -16.5403 -16.5403 -16.5358 -16.5358 2.7528 2.7528 7.0703 7.0703 7.1620 7.1620 7.3587 7.3587 7.3977 7.3977 7.5108 7.5108 8.1076 8.1076 8.1362 8.1362 8.2827 8.2827 8.3398 8.3398 8.4065 8.4065 9.6401 9.6401 10.1338 10.1338 11.2854 11.2854 12.2317 12.2317 12.9174 12.9174 14.2435 14.2435 14.7440 14.7440 k = 0.1181 0.0682 0.1928 ( 2487 PWs) bands (ev): -38.0323 -38.0323 -17.0408 -17.0408 -16.5397 -16.5397 -16.5356 -16.5356 2.6987 2.6987 7.0838 7.0838 7.1622 7.1622 7.3499 7.3499 7.3872 7.3872 7.4969 7.4969 8.1141 8.1141 8.1412 8.1412 8.2871 8.2871 8.3604 8.3604 8.4360 8.4360 9.7087 9.7087 10.1948 10.1948 11.2299 11.2299 12.2954 12.2954 12.9158 12.9158 14.2375 14.2375 14.7388 14.7388 k = 0.1111 0.0642 0.1814 ( 2475 PWs) bands (ev): -38.0323 -38.0323 -17.0405 -17.0405 -16.5391 -16.5391 -16.5354 -16.5354 2.6474 2.6474 7.0963 7.0963 7.1634 7.1634 7.3411 7.3411 7.3772 7.3772 7.4835 7.4835 8.1200 8.1200 8.1454 8.1454 8.2907 8.2907 8.3817 8.3817 8.4625 8.4625 9.7807 9.7807 10.2533 10.2533 11.1760 11.1760 12.3594 12.3594 12.9181 12.9181 14.2331 14.2331 14.7292 14.7292 k = 0.1042 0.0601 0.1701 ( 2481 PWs) bands (ev): -38.0324 -38.0324 -17.0402 -17.0402 -16.5386 -16.5386 -16.5352 -16.5352 2.5991 2.5991 7.1077 7.1077 7.1655 7.1655 7.3323 7.3323 7.3674 7.3674 7.4705 7.4705 8.1254 8.1254 8.1489 8.1489 8.2936 8.2936 8.4030 8.4030 8.4858 8.4858 9.8553 9.8553 10.3087 10.3087 11.1238 11.1238 12.4238 12.4238 12.9244 12.9244 14.2308 14.2308 14.7157 14.7157 k = 0.0972 0.0561 0.1588 ( 2481 PWs) bands (ev): -38.0324 -38.0324 -17.0399 -17.0399 -16.5381 -16.5381 -16.5351 -16.5351 2.5536 2.5536 7.1180 7.1180 7.1685 7.1685 7.3237 7.3237 7.3580 7.3580 7.4580 7.4580 8.1303 8.1303 8.1518 8.1518 8.2962 8.2962 8.4244 8.4244 8.5062 8.5062 9.9320 9.9320 10.3607 10.3607 11.0737 11.0737 12.4885 12.4885 12.9345 12.9345 14.2309 14.2309 14.6990 14.6990 k = 0.0903 0.0521 0.1474 ( 2481 PWs) bands (ev): -38.0324 -38.0324 -17.0396 -17.0396 -16.5376 -16.5376 -16.5350 -16.5350 2.5112 2.5112 7.1273 7.1273 7.1723 7.1723 7.3152 7.3152 7.3489 7.3489 7.4461 7.4461 8.1349 8.1349 8.1542 8.1542 8.2986 8.2986 8.4455 8.4455 8.5241 8.5241 10.0096 10.0096 10.4090 10.4090 11.0257 11.0257 12.5534 12.5534 12.9482 12.9482 14.2337 14.2337 14.6796 14.6796 k = 0.0833 0.0481 0.1361 ( 2487 PWs) bands (ev): -38.0325 -38.0325 -17.0394 -17.0394 -16.5372 -16.5372 -16.5349 -16.5349 2.4717 2.4717 7.1358 7.1358 7.1768 7.1768 7.3070 7.3070 7.3401 7.3401 7.4350 7.4350 8.1389 8.1389 8.1560 8.1560 8.3007 8.3007 8.4662 8.4662 8.5396 8.5396 10.0876 10.0876 10.4533 10.4533 10.9802 10.9802 12.6181 12.6181 12.9652 12.9652 14.2395 14.2395 14.6582 14.6582 k = 0.0764 0.0441 0.1247 ( 2491 PWs) bands (ev): -38.0325 -38.0325 -17.0392 -17.0392 -16.5368 -16.5368 -16.5348 -16.5348 2.4353 2.4353 7.1436 7.1436 7.1818 7.1818 7.2990 7.2990 7.3316 7.3316 7.4247 7.4247 8.1426 8.1426 8.1574 8.1574 8.3025 8.3025 8.4863 8.4863 8.5530 8.5530 10.1647 10.1647 10.4937 10.4937 10.9373 10.9373 12.6825 12.6825 12.9849 12.9849 14.2483 14.2483 14.6350 14.6350 k = 0.0694 0.0401 0.1134 ( 2491 PWs) bands (ev): -38.0325 -38.0325 -17.0389 -17.0389 -16.5364 -16.5364 -16.5347 -16.5347 2.4019 2.4019 7.1510 7.1510 7.1869 7.1869 7.2913 7.2913 7.3232 7.3232 7.4154 7.4154 8.1459 8.1459 8.1585 8.1585 8.3042 8.3042 8.5056 8.5056 8.5646 8.5646 10.2402 10.2402 10.5299 10.5299 10.8972 10.8972 12.7462 12.7462 13.0067 13.0067 14.2603 14.2603 14.6106 14.6106 k = 0.0625 0.0361 0.1021 ( 2491 PWs) bands (ev): -38.0326 -38.0326 -17.0387 -17.0387 -16.5360 -16.5360 -16.5346 -16.5346 2.3716 2.3716 7.1582 7.1582 7.1920 7.1920 7.2839 7.2839 7.3148 7.3148 7.4071 7.4071 8.1488 8.1488 8.1593 8.1593 8.3058 8.3058 8.5238 8.5238 8.5746 8.5746 10.3130 10.3130 10.5621 10.5621 10.8602 10.8602 12.8088 12.8088 13.0299 13.0299 14.2753 14.2753 14.5854 14.5854 k = 0.0556 0.0321 0.0907 ( 2483 PWs) bands (ev): -38.0326 -38.0326 -17.0385 -17.0385 -16.5356 -16.5356 -16.5345 -16.5345 2.3445 2.3445 7.1655 7.1655 7.1970 7.1970 7.2770 7.2770 7.3063 7.3063 7.4000 7.4000 8.1514 8.1514 8.1600 8.1600 8.3071 8.3071 8.5408 8.5408 8.5831 8.5831 10.3821 10.3821 10.5903 10.5903 10.8266 10.8266 12.8696 12.8696 13.0536 13.0536 14.2930 14.2930 14.5598 14.5598 k = 0.0486 0.0281 0.0794 ( 2475 PWs) bands (ev): -38.0326 -38.0326 -17.0383 -17.0383 -16.5353 -16.5353 -16.5344 -16.5344 2.3205 2.3205 7.1729 7.1729 7.2017 7.2017 7.2704 7.2704 7.2977 7.2977 7.3941 7.3941 8.1537 8.1537 8.1604 8.1604 8.3083 8.3083 8.5564 8.5564 8.5903 8.5903 10.4462 10.4462 10.6147 10.6147 10.7967 10.7967 12.9281 12.9281 13.0768 13.0768 14.3131 14.3131 14.5344 14.5344 k = 0.0417 0.0241 0.0680 ( 2467 PWs) bands (ev): -38.0326 -38.0326 -17.0381 -17.0381 -16.5350 -16.5350 -16.5343 -16.5343 2.2996 2.2996 7.1804 7.1804 7.2060 7.2060 7.2643 7.2643 7.2889 7.2889 7.3892 7.3892 8.1556 8.1556 8.1606 8.1606 8.3094 8.3094 8.5705 8.5705 8.5964 8.5964 10.5039 10.5039 10.6355 10.6355 10.7706 10.7706 12.9833 12.9833 13.0989 13.0989 14.3348 14.3348 14.5099 14.5099 k = 0.0347 0.0200 0.0567 ( 2463 PWs) bands (ev): -38.0327 -38.0327 -17.0380 -17.0380 -16.5347 -16.5347 -16.5343 -16.5343 2.2820 2.2820 7.1881 7.1881 7.2101 7.2101 7.2587 7.2587 7.2799 7.2799 7.3854 7.3854 8.1572 8.1572 8.1607 8.1607 8.3102 8.3102 8.5828 8.5828 8.6013 8.6013 10.5539 10.5539 10.6532 10.6532 10.7488 10.7488 13.0340 13.0340 13.1189 13.1189 14.3570 14.3570 14.4870 14.4870 k = 0.0278 0.0160 0.0454 ( 2453 PWs) bands (ev): -38.0327 -38.0327 -17.0379 -17.0379 -16.5345 -16.5345 -16.5342 -16.5342 2.2675 2.2675 7.1961 7.1961 7.2138 7.2138 7.2536 7.2536 7.2709 7.2709 7.3825 7.3825 8.1585 8.1585 8.1608 8.1608 8.3109 8.3109 8.5931 8.5931 8.6052 8.6052 10.5943 10.5943 10.6685 10.6685 10.7319 10.7319 13.0790 13.0790 13.1362 13.1362 14.3784 14.3784 14.4666 14.4666 k = 0.0208 0.0120 0.0340 ( 2441 PWs) bands (ev): -38.0327 -38.0327 -17.0377 -17.0377 -16.5343 -16.5343 -16.5342 -16.5342 2.2562 2.2562 7.2041 7.2041 7.2172 7.2172 7.2491 7.2491 7.2619 7.2619 7.3804 7.3804 8.1595 8.1595 8.1608 8.1608 8.3114 8.3114 8.6014 8.6014 8.6083 8.6083 10.6227 10.6227 10.6828 10.6828 10.7201 10.7201 13.1166 13.1166 13.1503 13.1503 14.3974 14.3974 14.4495 14.4495 k = 0.0139 0.0080 0.0227 ( 2445 PWs) bands (ev): -38.0327 -38.0327 -17.0377 -17.0377 -16.5342 -16.5342 -16.5341 -16.5341 2.2482 2.2482 7.2121 7.2121 7.2200 7.2200 7.2453 7.2453 7.2532 7.2532 7.3790 7.3790 8.1602 8.1602 8.1607 8.1607 8.3118 8.3118 8.6072 8.6072 8.6104 8.6104 10.6385 10.6385 10.6961 10.6961 10.7134 10.7134 13.1451 13.1451 13.1606 13.1606 14.4120 14.4120 14.4367 14.4367 k = 0.0069 0.0040 0.0113 ( 2445 PWs) bands (ev): -38.0327 -38.0327 -17.0377 -17.0377 -16.5341 -16.5341 -16.5341 -16.5341 2.2433 2.2433 7.2193 7.2193 7.2222 7.2222 7.2426 7.2426 7.2455 7.2455 7.3782 7.3782 8.1606 8.1606 8.1607 8.1607 8.3120 8.3120 8.6108 8.6108 8.6116 8.6116 10.6449 10.6449 10.7062 10.7062 10.7106 10.7106 13.1629 13.1629 13.1669 13.1669 14.4192 14.4192 14.4299 14.4299 k = 0.0000 0.0000 0.0000 ( 2445 PWs) bands (ev): -38.0327 -38.0327 -17.0376 -17.0376 -16.5341 -16.5341 -16.5341 -16.5341 2.2417 2.2417 7.2230 7.2230 7.2230 7.2230 7.2416 7.2416 7.2416 7.2416 7.3779 7.3779 8.1607 8.1607 8.1607 8.1607 8.3121 8.3121 8.6120 8.6120 8.6120 8.6120 10.6465 10.6465 10.7099 10.7099 10.7099 10.7099 13.1690 13.1690 13.1690 13.1690 14.4185 14.4185 14.4298 14.4298 k = 0.0000 0.0000 0.0000 ( 2445 PWs) bands (ev): -38.0327 -38.0327 -17.0376 -17.0376 -16.5341 -16.5341 -16.5341 -16.5341 2.2417 2.2417 7.2230 7.2230 7.2230 7.2230 7.2416 7.2416 7.2416 7.2416 7.3779 7.3779 8.1607 8.1607 8.1607 8.1607 8.3121 8.3121 8.6120 8.6120 8.6120 8.6120 10.6465 10.6465 10.7099 10.7099 10.7099 10.7099 13.1690 13.1690 13.1690 13.1690 14.4185 14.4185 14.4298 14.4298 k = 0.0114 0.0066 0.0046 ( 2445 PWs) bands (ev): -38.0327 -38.0327 -17.0377 -17.0377 -16.5341 -16.5341 -16.5341 -16.5341 2.2433 2.2433 7.2198 7.2198 7.2216 7.2216 7.2429 7.2429 7.2453 7.2453 7.3782 7.3782 8.1606 8.1606 8.1607 8.1607 8.3120 8.3120 8.6112 8.6112 8.6112 8.6112 10.6449 10.6449 10.7059 10.7059 10.7108 10.7108 13.1649 13.1649 13.1649 13.1649 14.4183 14.4183 14.4309 14.4309 k = 0.0227 0.0131 0.0093 ( 2445 PWs) bands (ev): -38.0327 -38.0327 -17.0377 -17.0377 -16.5342 -16.5342 -16.5341 -16.5341 2.2482 2.2482 7.2135 7.2135 7.2182 7.2182 7.2458 7.2458 7.2530 7.2530 7.3790 7.3790 8.1601 8.1601 8.1608 8.1608 8.3118 8.3118 8.6086 8.6086 8.6090 8.6090 10.6372 10.6372 10.6970 10.6970 10.7138 10.7138 13.1528 13.1528 13.1528 13.1528 14.4058 14.4058 14.4462 14.4462 k = 0.0341 0.0197 0.0139 ( 2442 PWs) bands (ev): -38.0327 -38.0327 -17.0377 -17.0377 -16.5343 -16.5343 -16.5341 -16.5341 2.2563 2.2563 7.2068 7.2068 7.2141 7.2141 7.2492 7.2492 7.2622 7.2622 7.3805 7.3805 8.1594 8.1594 8.1609 8.1609 8.3114 8.3114 8.6044 8.6044 8.6052 8.6052 10.6161 10.6161 10.6908 10.6908 10.7186 10.7186 13.1334 13.1334 13.1335 13.1335 14.3828 14.3828 14.4739 14.4739 k = 0.0455 0.0262 0.0186 ( 2451 PWs) bands (ev): -38.0327 -38.0327 -17.0379 -17.0379 -16.5345 -16.5345 -16.5342 -16.5342 2.2676 2.2676 7.2003 7.2003 7.2096 7.2096 7.2522 7.2522 7.2722 7.2722 7.3826 7.3826 8.1583 8.1583 8.1609 8.1609 8.3109 8.3109 8.5985 8.5985 8.5999 8.5999 10.5776 10.5776 10.6916 10.6916 10.7253 10.7253 13.1079 13.1079 13.1080 13.1080 14.3518 14.3518 14.5117 14.5117 k = 0.0568 0.0328 0.0232 ( 2451 PWs) bands (ev): -38.0327 -38.0327 -17.0380 -17.0380 -16.5347 -16.5347 -16.5342 -16.5342 2.2821 2.2821 7.1942 7.1942 7.2051 7.2051 7.2548 7.2548 7.2827 7.2827 7.3856 7.3856 8.1571 8.1571 8.1609 8.1609 8.3102 8.3102 8.5909 8.5909 8.5932 8.5932 10.5247 10.5247 10.6974 10.6974 10.7338 10.7338 13.0774 13.0774 13.0776 13.0776 14.3146 14.3146 14.5580 14.5580 k = 0.0682 0.0394 0.0278 ( 2469 PWs) bands (ev): -38.0326 -38.0326 -17.0381 -17.0381 -16.5351 -16.5351 -16.5343 -16.5343 2.2999 2.2999 7.1885 7.1885 7.2007 7.2007 7.2565 7.2565 7.2936 7.2936 7.3896 7.3896 8.1554 8.1554 8.1607 8.1607 8.3093 8.3093 8.5818 8.5818 8.5850 8.5850 10.4596 10.4596 10.7064 10.7064 10.7438 10.7438 13.0431 13.0431 13.0434 13.0434 14.2727 14.2727 14.6115 14.6115 k = 0.0795 0.0459 0.0325 ( 2481 PWs) bands (ev): -38.0326 -38.0326 -17.0383 -17.0383 -16.5354 -16.5354 -16.5344 -16.5344 2.3208 2.3208 7.1834 7.1834 7.1965 7.1965 7.2574 7.2574 7.3049 7.3049 7.3946 7.3946 8.1534 8.1534 8.1604 8.1604 8.3083 8.3083 8.5712 8.5712 8.5756 8.5756 10.3843 10.3843 10.7176 10.7176 10.7554 10.7554 13.0063 13.0063 13.0068 13.0068 14.2273 14.2273 14.6712 14.6712 k = 0.0909 0.0525 0.0371 ( 2481 PWs) bands (ev): -38.0326 -38.0326 -17.0385 -17.0385 -16.5357 -16.5357 -16.5344 -16.5344 2.3449 2.3449 7.1790 7.1790 7.1926 7.1926 7.2573 7.2573 7.3166 7.3166 7.4007 7.4007 8.1512 8.1512 8.1600 8.1600 8.3072 8.3072 8.5593 8.5593 8.5651 8.5651 10.3001 10.3001 10.7308 10.7308 10.7684 10.7684 12.9681 12.9681 12.9686 12.9686 14.1797 14.1797 14.7359 14.7359 k = 0.1023 0.0590 0.0418 ( 2499 PWs) bands (ev): -38.0326 -38.0326 -17.0388 -17.0388 -16.5361 -16.5361 -16.5345 -16.5345 2.3722 2.3722 7.1750 7.1750 7.1888 7.1888 7.2563 7.2563 7.3286 7.3286 7.4078 7.4078 8.1486 8.1486 8.1594 8.1594 8.3058 8.3058 8.5460 8.5460 8.5533 8.5533 10.2081 10.2081 10.7452 10.7452 10.7824 10.7824 12.9292 12.9292 12.9299 12.9299 14.1309 14.1309 14.8048 14.8048 k = 0.1136 0.0656 0.0464 ( 2499 PWs) bands (ev): -38.0325 -38.0325 -17.0390 -17.0390 -16.5365 -16.5365 -16.5346 -16.5346 2.4026 2.4026 7.1717 7.1717 7.1851 7.1851 7.2546 7.2546 7.3410 7.3410 7.4159 7.4159 8.1457 8.1457 8.1585 8.1585 8.3043 8.3043 8.5316 8.5316 8.5405 8.5405 10.1094 10.1094 10.7610 10.7610 10.7975 10.7975 12.8907 12.8907 12.8915 12.8915 14.0816 14.0816 14.8770 14.8770 k = 0.1250 0.0722 0.0510 ( 2496 PWs) bands (ev): -38.0325 -38.0325 -17.0392 -17.0392 -16.5369 -16.5369 -16.5347 -16.5347 2.4361 2.4361 7.1691 7.1691 7.1815 7.1815 7.2523 7.2523 7.3536 7.3536 7.4249 7.4249 8.1425 8.1425 8.1573 8.1573 8.3026 8.3026 8.5160 8.5160 8.5268 8.5268 10.0052 10.0052 10.7777 10.7777 10.8134 10.8134 12.8531 12.8531 12.8540 12.8540 14.0325 14.0325 14.9518 14.9518 k = 0.1364 0.0787 0.0557 ( 2502 PWs) bands (ev): -38.0325 -38.0325 -17.0395 -17.0395 -16.5374 -16.5374 -16.5348 -16.5348 2.4726 2.4726 7.1670 7.1670 7.1776 7.1776 7.2496 7.2496 7.3664 7.3664 7.4345 7.4345 8.1390 8.1390 8.1557 8.1557 8.3006 8.3006 8.4993 8.4993 8.5121 8.5121 9.8961 9.8961 10.7951 10.7951 10.8297 10.8297 12.8170 12.8170 12.8180 12.8180 13.9840 13.9840 15.0287 15.0287 k = 0.1477 0.0853 0.0603 ( 2502 PWs) bands (ev): -38.0324 -38.0324 -17.0397 -17.0397 -16.5379 -16.5379 -16.5349 -16.5349 2.5123 2.5123 7.1656 7.1656 7.1733 7.1733 7.2469 7.2469 7.3794 7.3794 7.4449 7.4449 8.1352 8.1352 8.1537 8.1537 8.2984 8.2984 8.4817 8.4817 8.4967 8.4967 9.7834 9.7834 10.8129 10.8129 10.8463 10.8463 12.7832 12.7832 12.7842 12.7842 13.9365 13.9365 15.1070 15.1070 k = 0.1591 0.0919 0.0649 ( 2493 PWs) bands (ev): -38.0324 -38.0324 -17.0400 -17.0400 -16.5384 -16.5384 -16.5349 -16.5349 2.5550 2.5550 7.1648 7.1648 7.1684 7.1684 7.2444 7.2444 7.3927 7.3927 7.4559 7.4559 8.1312 8.1312 8.1514 8.1514 8.2959 8.2959 8.4632 8.4632 8.4805 8.4805 9.6680 9.6680 10.8308 10.8308 10.8629 10.8629 12.7521 12.7521 12.7530 12.7530 13.8904 13.8904 15.1861 15.1861 k = 0.1705 0.0984 0.0696 ( 2493 PWs) bands (ev): -38.0324 -38.0324 -17.0402 -17.0402 -16.5389 -16.5389 -16.5350 -16.5350 2.6006 2.6006 7.1624 7.1624 7.1646 7.1646 7.2425 7.2425 7.4061 7.4061 7.4672 7.4672 8.1267 8.1267 8.1484 8.1484 8.2930 8.2930 8.4440 8.4440 8.4638 8.4638 9.5505 9.5505 10.8486 10.8486 10.8792 10.8792 12.7240 12.7240 12.7248 12.7248 13.8457 13.8457 15.2655 15.2655 k = 0.1818 0.1050 0.0742 ( 2487 PWs) bands (ev): -38.0323 -38.0323 -17.0405 -17.0405 -16.5395 -16.5395 -16.5351 -16.5351 2.6492 2.6492 7.1549 7.1549 7.1650 7.1650 7.2414 7.2414 7.4197 7.4197 7.4790 7.4790 8.1220 8.1220 8.1450 8.1450 8.2896 8.2896 8.4239 8.4239 8.4465 8.4465 9.4320 9.4320 10.8660 10.8660 10.8950 10.8950 12.6996 12.6996 12.7001 12.7001 13.8025 13.8025 15.3435 15.3435 k = 0.1932 0.1115 0.0789 ( 2490 PWs) bands (ev): -38.0323 -38.0323 -17.0409 -17.0409 -16.5401 -16.5401 -16.5352 -16.5352 2.7007 2.7007 7.1457 7.1457 7.1660 7.1660 7.2412 7.2412 7.4333 7.4333 7.4911 7.4911 8.1169 8.1169 8.1410 8.1410 8.2858 8.2858 8.4032 8.4032 8.4288 8.4288 9.3133 9.3133 10.8826 10.8826 10.9099 10.9099 12.6791 12.6791 12.6792 12.6792 13.7611 13.7611 15.4203 15.4203 k = 0.2045 0.1181 0.0835 ( 2490 PWs) bands (ev): -38.0322 -38.0322 -17.0412 -17.0412 -16.5407 -16.5407 -16.5353 -16.5353 2.7551 2.7551 7.1344 7.1344 7.1676 7.1676 7.2422 7.2422 7.4471 7.4471 7.5033 7.5033 8.1115 8.1115 8.1364 8.1364 8.2813 8.2813 8.3818 8.3818 8.4107 8.4107 9.1953 9.1953 10.8983 10.8983 10.9236 10.9236 12.6625 12.6625 12.6629 12.6629 13.7214 13.7214 15.4714 15.4714 k = 0.2159 0.1247 0.0881 ( 2493 PWs) bands (ev): -38.0322 -38.0322 -17.0415 -17.0415 -16.5413 -16.5413 -16.5354 -16.5354 2.8122 2.8122 7.1207 7.1207 7.1697 7.1697 7.2444 7.2444 7.4609 7.4609 7.5157 7.5157 8.1057 8.1057 8.1312 8.1312 8.2760 8.2760 8.3599 8.3599 8.3923 8.3923 9.0791 9.0791 10.9129 10.9129 10.9361 10.9361 12.6503 12.6503 12.6513 12.6513 13.6835 13.6835 15.3601 15.3601 k = 0.2273 0.1312 0.0928 ( 2493 PWs) bands (ev): -38.0321 -38.0321 -17.0418 -17.0418 -16.5419 -16.5419 -16.5355 -16.5355 2.8722 2.8722 7.1043 7.1043 7.1724 7.1724 7.2476 7.2476 7.4748 7.4748 7.5282 7.5282 8.0997 8.0997 8.1254 8.1254 8.2698 8.2698 8.3373 8.3373 8.3738 8.3738 8.9657 8.9657 10.9260 10.9260 10.9469 10.9469 12.6428 12.6428 12.6446 12.6446 13.6474 13.6474 15.2440 15.2440 k = 0.2386 0.1378 0.0974 ( 2481 PWs) bands (ev): -38.0321 -38.0321 -17.0421 -17.0421 -16.5425 -16.5425 -16.5356 -16.5356 2.9348 2.9348 7.0848 7.0848 7.1756 7.1756 7.2519 7.2519 7.4887 7.4887 7.5407 7.5407 8.0934 8.0934 8.1189 8.1189 8.2625 8.2625 8.3141 8.3141 8.3552 8.3552 8.8566 8.8566 10.9375 10.9375 10.9561 10.9561 12.6404 12.6404 12.6430 12.6430 13.6131 13.6131 15.1270 15.1270 k = 0.2500 0.1443 0.1021 ( 2493 PWs) bands (ev): -38.0320 -38.0320 -17.0425 -17.0425 -16.5431 -16.5431 -16.5358 -16.5358 3.0001 3.0001 7.0616 7.0616 7.1792 7.1792 7.2570 7.2570 7.5025 7.5025 7.5532 7.5532 8.0867 8.0867 8.1114 8.1114 8.2537 8.2537 8.2899 8.2899 8.3365 8.3365 8.7530 8.7530 10.9473 10.9473 10.9634 10.9634 12.6429 12.6429 12.6465 12.6465 13.5807 13.5807 15.0106 15.0106 k = 0.2614 0.1509 0.1067 ( 2490 PWs) bands (ev): -38.0320 -38.0320 -17.0428 -17.0428 -16.5437 -16.5437 -16.5358 -16.5358 3.0680 3.0680 7.0341 7.0341 7.1834 7.1834 7.2631 7.2631 7.5163 7.5163 7.5655 7.5655 8.0797 8.0797 8.1029 8.1029 8.2432 8.2432 8.2646 8.2646 8.3178 8.3178 8.6571 8.6571 10.9553 10.9553 10.9689 10.9689 12.6507 12.6507 12.6553 12.6553 13.5500 13.5500 14.8958 14.8958 k = 0.2727 0.1575 0.1113 ( 2490 PWs) bands (ev): -38.0319 -38.0319 -17.0432 -17.0432 -16.5444 -16.5444 -16.5359 -16.5359 3.1383 3.1383 7.0016 7.0016 7.1880 7.1880 7.2701 7.2701 7.5302 7.5302 7.5777 7.5777 8.0724 8.0724 8.0930 8.0930 8.2307 8.2307 8.2377 8.2377 8.2993 8.2993 8.5710 8.5710 10.9615 10.9615 10.9724 10.9724 12.6636 12.6636 12.6694 12.6694 13.5212 13.5212 14.7832 14.7832 k = 0.2841 0.1640 0.1160 ( 2475 PWs) bands (ev): -38.0319 -38.0319 -17.0435 -17.0435 -16.5449 -16.5449 -16.5360 -16.5360 3.2111 3.2111 6.9635 6.9635 7.1930 7.1930 7.2778 7.2778 7.5440 7.5440 7.5897 7.5897 8.0648 8.0648 8.0810 8.0810 8.2086 8.2086 8.2164 8.2164 8.2812 8.2812 8.4971 8.4971 10.9659 10.9659 10.9742 10.9742 12.6818 12.6818 12.6887 12.6887 13.4942 13.4942 14.6736 14.6736 k = 0.2955 0.1706 0.1206 ( 2475 PWs) bands (ev): -38.0319 -38.0319 -17.0438 -17.0438 -16.5455 -16.5455 -16.5361 -16.5361 3.2862 3.2862 6.9188 6.9188 7.1984 7.1984 7.2862 7.2862 7.5576 7.5576 7.6013 7.6013 8.0568 8.0568 8.0658 8.0658 8.1779 8.1779 8.1999 8.1999 8.2632 8.2632 8.4370 8.4370 10.9686 10.9686 10.9742 10.9742 12.7049 12.7049 12.7130 12.7130 13.4690 13.4690 14.5674 14.5674 k = 0.3068 0.1771 0.1253 ( 2472 PWs) bands (ev): -38.0318 -38.0318 -17.0441 -17.0441 -16.5461 -16.5461 -16.5362 -16.5362 3.3636 3.3636 6.8672 6.8672 7.2040 7.2040 7.2953 7.2953 7.5712 7.5712 7.6125 7.6125 8.0458 8.0458 8.0484 8.0484 8.1478 8.1478 8.1821 8.1821 8.2457 8.2457 8.3907 8.3907 10.9696 10.9696 10.9726 10.9726 12.7329 12.7329 12.7421 12.7421 13.4455 13.4455 14.4648 14.4648 k = 0.3182 0.1837 0.1299 ( 2473 PWs) bands (ev): -38.0318 -38.0318 -17.0444 -17.0444 -16.5467 -16.5467 -16.5363 -16.5363 3.4431 3.4431 6.8081 6.8081 7.2099 7.2099 7.3049 7.3049 7.5847 7.5847 7.6232 7.6232 8.0199 8.0199 8.0397 8.0397 8.1216 8.1216 8.1634 8.1634 8.2287 8.2287 8.3558 8.3558 10.9693 10.9693 10.9697 10.9697 12.7655 12.7655 12.7757 12.7757 13.4239 13.4239 14.3664 14.3664 k = 0.3295 0.1903 0.1345 ( 2473 PWs) bands (ev): -38.0317 -38.0317 -17.0447 -17.0447 -16.5472 -16.5472 -16.5364 -16.5364 3.5246 3.5246 6.7416 6.7416 7.2160 7.2160 7.3150 7.3150 7.5980 7.5980 7.6333 7.6333 7.9899 7.9899 8.0307 8.0307 8.1004 8.1004 8.1446 8.1446 8.2123 8.2123 8.3294 8.3294 10.9656 10.9656 10.9677 10.9677 12.8024 12.8024 12.8137 12.8137 13.4040 13.4040 14.2724 14.2724 k = 0.3409 0.1968 0.1392 ( 2473 PWs) bands (ev): -38.0317 -38.0317 -17.0450 -17.0450 -16.5478 -16.5478 -16.5365 -16.5365 3.6079 3.6079 6.6678 6.6678 7.2222 7.2222 7.3256 7.3256 7.6112 7.6112 7.6426 7.6426 7.9595 7.9595 8.0213 8.0213 8.0829 8.0829 8.1263 8.1263 8.1966 8.1966 8.3084 8.3084 10.9605 10.9605 10.9650 10.9650 12.8435 12.8435 12.8556 12.8556 13.3859 13.3859 14.1829 14.1829 k = 0.3523 0.2034 0.1438 ( 2473 PWs) bands (ev): -38.0316 -38.0316 -17.0453 -17.0453 -16.5483 -16.5483 -16.5366 -16.5366 3.6930 3.6930 6.5876 6.5876 7.2284 7.2284 7.3365 7.3365 7.6242 7.6242 7.6512 7.6512 7.9317 7.9317 8.0116 8.0116 8.0673 8.0673 8.1090 8.1090 8.1817 8.1817 8.2910 8.2910 10.9548 10.9548 10.9615 10.9615 12.8882 12.8882 12.9011 12.9011 13.3696 13.3696 14.0982 14.0982 k = 0.3636 0.2099 0.1485 ( 2461 PWs) bands (ev): -38.0316 -38.0316 -17.0455 -17.0455 -16.5487 -16.5487 -16.5366 -16.5366 3.7795 3.7795 6.5017 6.5017 7.2347 7.2347 7.3478 7.3478 7.6371 7.6371 7.6589 7.6589 7.9084 7.9084 8.0017 8.0017 8.0523 8.0523 8.0933 8.0933 8.1676 8.1676 8.2760 8.2760 10.9485 10.9485 10.9574 10.9574 12.9363 12.9363 12.9498 12.9498 13.3551 13.3551 14.0185 14.0185 k = 0.3750 0.2165 0.1531 ( 2458 PWs) bands (ev): -38.0316 -38.0316 -17.0458 -17.0458 -16.5492 -16.5492 -16.5367 -16.5367 3.8673 3.8673 6.4112 6.4112 7.2409 7.2409 7.3590 7.3590 7.6496 7.6496 7.6657 7.6657 7.8898 7.8898 7.9915 7.9915 8.0373 8.0373 8.0792 8.0792 8.1545 8.1545 8.2625 8.2625 10.9420 10.9420 10.9528 10.9528 12.9873 12.9873 13.0013 13.0013 13.3425 13.3425 13.9440 13.9440 k = 0.3864 0.2231 0.1577 ( 2458 PWs) bands (ev): -38.0315 -38.0315 -17.0460 -17.0460 -16.5496 -16.5496 -16.5368 -16.5368 3.9560 3.9560 6.3172 6.3172 7.2469 7.2469 7.3703 7.3703 7.6619 7.6619 7.6716 7.6716 7.8757 7.8757 7.9811 7.9811 8.0223 8.0223 8.0668 8.0668 8.1423 8.1423 8.2500 8.2500 10.9354 10.9354 10.9480 10.9480 13.0407 13.0407 13.0550 13.0550 13.3316 13.3316 13.8747 13.8747 k = 0.3977 0.2296 0.1624 ( 2473 PWs) bands (ev): -38.0315 -38.0315 -17.0463 -17.0463 -16.5500 -16.5500 -16.5369 -16.5369 4.0451 4.0451 6.2210 6.2210 7.2526 7.2526 7.3815 7.3815 7.6737 7.6737 7.6765 7.6765 7.8656 7.8656 7.9705 7.9705 8.0074 8.0074 8.0558 8.0558 8.1312 8.1312 8.2384 8.2384 10.9288 10.9288 10.9431 10.9431 13.0960 13.0960 13.1103 13.1103 13.3226 13.3226 13.8108 13.8108 k = 0.4091 0.2362 0.1670 ( 2470 PWs) bands (ev): -38.0315 -38.0315 -17.0464 -17.0464 -16.5504 -16.5504 -16.5369 -16.5369 4.1343 4.1343 6.1239 6.1239 7.2581 7.2581 7.3923 7.3923 7.6808 7.6808 7.6853 7.6853 7.8588 7.8588 7.9601 7.9601 7.9934 7.9934 8.0461 8.0461 8.1212 8.1212 8.2277 8.2277 10.9225 10.9225 10.9383 10.9383 13.1526 13.1526 13.1666 13.1666 13.3154 13.3154 13.7525 13.7525 k = 0.4205 0.2427 0.1716 ( 2470 PWs) bands (ev): -38.0315 -38.0315 -17.0466 -17.0466 -16.5507 -16.5507 -16.5370 -16.5370 4.2226 4.2226 6.0273 6.0273 7.2632 7.2632 7.4027 7.4027 7.6845 7.6845 7.6962 7.6962 7.8544 7.8544 7.9498 7.9498 7.9806 7.9806 8.0373 8.0373 8.1123 8.1123 8.2177 8.2177 10.9167 10.9167 10.9338 10.9338 13.2095 13.2095 13.2231 13.2231 13.3101 13.3101 13.6998 13.6998 k = 0.4318 0.2493 0.1763 ( 2470 PWs) bands (ev): -38.0314 -38.0314 -17.0468 -17.0468 -16.5509 -16.5509 -16.5370 -16.5370 4.3091 4.3091 5.9326 5.9326 7.2677 7.2677 7.4124 7.4124 7.6877 7.6877 7.7066 7.7066 7.8516 7.8516 7.9399 7.9399 7.9693 7.9693 8.0296 8.0296 8.1046 8.1046 8.2087 8.2087 10.9113 10.9113 10.9296 10.9296 13.2657 13.2657 13.2786 13.2786 13.3068 13.3068 13.6529 13.6529 k = 0.4432 0.2559 0.1809 ( 2476 PWs) bands (ev): -38.0314 -38.0314 -17.0469 -17.0469 -16.5512 -16.5512 -16.5371 -16.5371 4.3923 4.3923 5.8419 5.8419 7.2717 7.2717 7.4212 7.4212 7.6903 7.6903 7.7161 7.7161 7.8498 7.8498 7.9306 7.9306 7.9599 7.9599 8.0227 8.0227 8.0980 8.0980 8.2005 8.2005 10.9066 10.9066 10.9259 10.9259 13.3036 13.3036 13.3212 13.3212 13.3319 13.3319 13.6120 13.6120 k = 0.4545 0.2624 0.1856 ( 2470 PWs) bands (ev): -38.0314 -38.0314 -17.0470 -17.0470 -16.5514 -16.5514 -16.5371 -16.5371 4.4699 4.4699 5.7577 5.7577 7.2751 7.2751 7.4289 7.4289 7.6926 7.6926 7.7246 7.7246 7.8484 7.8484 7.9222 7.9222 7.9526 7.9526 8.0169 8.0169 8.0927 8.0927 8.1936 8.1936 10.9027 10.9027 10.9228 10.9228 13.3036 13.3036 13.3712 13.3712 13.3810 13.3810 13.5774 13.5774 k = 0.4659 0.2690 0.1902 ( 2476 PWs) bands (ev): -38.0314 -38.0314 -17.0471 -17.0471 -16.5516 -16.5516 -16.5371 -16.5371 4.5387 4.5387 5.6835 5.6835 7.2778 7.2778 7.4351 7.4351 7.6944 7.6944 7.7318 7.7318 7.8472 7.8472 7.9150 7.9150 7.9473 7.9473 8.0120 8.0120 8.0885 8.0885 8.1880 8.1880 10.8995 10.8995 10.9202 10.9202 13.3042 13.3042 13.4155 13.4155 13.4237 13.4237 13.5496 13.5496 k = 0.4773 0.2756 0.1948 ( 2476 PWs) bands (ev): -38.0314 -38.0314 -17.0472 -17.0472 -16.5517 -16.5517 -16.5372 -16.5372 4.5943 4.5943 5.6239 5.6239 7.2798 7.2798 7.4397 7.4397 7.6958 7.6958 7.7372 7.7372 7.8462 7.8462 7.9095 7.9095 7.9439 7.9439 8.0085 8.0085 8.0855 8.0855 8.1839 8.1839 10.8972 10.8972 10.9183 10.9183 13.3052 13.3052 13.4508 13.4508 13.4574 13.4574 13.5289 13.5289 k = 0.4886 0.2821 0.1995 ( 2488 PWs) bands (ev): -38.0314 -38.0314 -17.0473 -17.0473 -16.5518 -16.5518 -16.5372 -16.5372 4.6311 4.6311 5.5846 5.5846 7.2810 7.2810 7.4426 7.4426 7.6965 7.6965 7.7407 7.7407 7.8455 7.8455 7.9060 7.9060 7.9419 7.9419 8.0063 8.0063 8.0836 8.0836 8.1813 8.1813 10.8958 10.8958 10.9172 10.9172 13.3061 13.3061 13.4738 13.4738 13.4791 13.4791 13.5161 13.5161 k = 0.5000 0.2887 0.2041 ( 2488 PWs) bands (ev): -38.0314 -38.0314 -17.0473 -17.0473 -16.5518 -16.5518 -16.5372 -16.5372 4.6441 4.6441 5.5708 5.5708 7.2814 7.2814 7.4436 7.4436 7.6968 7.6968 7.7419 7.7419 7.8452 7.8452 7.9048 7.9048 7.9414 7.9414 8.0055 8.0055 8.0830 8.0830 8.1804 8.1804 10.8953 10.8953 10.9168 10.9168 13.3065 13.3065 13.4819 13.4819 13.4866 13.4866 13.5117 13.5117 k = 0.5000 0.2887 0.2041 ( 2488 PWs) bands (ev): -38.0314 -38.0314 -17.0473 -17.0473 -16.5518 -16.5518 -16.5372 -16.5372 4.6441 4.6441 5.5708 5.5708 7.2814 7.2814 7.4436 7.4436 7.6968 7.6968 7.7419 7.7419 7.8452 7.8452 7.9048 7.9048 7.9414 7.9414 8.0055 8.0055 8.0830 8.0830 8.1804 8.1804 10.8953 10.8953 10.9168 10.9168 13.3065 13.3065 13.4819 13.4819 13.4866 13.4866 13.5117 13.5117 k = 0.5039 0.2774 0.2105 ( 2488 PWs) bands (ev): -38.0314 -38.0314 -17.0473 -17.0473 -16.5518 -16.5518 -16.5372 -16.5372 4.6448 4.6448 5.5720 5.5720 7.2811 7.2811 7.4430 7.4430 7.6959 7.6959 7.7424 7.7424 7.8438 7.8438 7.9060 7.9060 7.9418 7.9418 8.0062 8.0062 8.0832 8.0832 8.1809 8.1809 10.8917 10.8917 10.9139 10.9139 13.3014 13.3014 13.4644 13.4644 13.4826 13.4826 13.5371 13.5371 k = 0.5078 0.2661 0.2169 ( 2482 PWs) bands (ev): -38.0314 -38.0314 -17.0473 -17.0473 -16.5518 -16.5518 -16.5372 -16.5372 4.6472 4.6472 5.5759 5.5759 7.2803 7.2803 7.4416 7.4416 7.6933 7.6933 7.7438 7.7438 7.8399 7.8399 7.9092 7.9092 7.9431 7.9431 8.0081 8.0081 8.0837 8.0837 8.1823 8.1823 10.8780 10.8780 10.9083 10.9083 13.2855 13.2855 13.4397 13.4397 13.4773 13.4773 13.5796 13.5796 k = 0.5117 0.2548 0.2233 ( 2482 PWs) bands (ev): -38.0314 -38.0314 -17.0473 -17.0473 -16.5518 -16.5518 -16.5373 -16.5373 4.6511 4.6511 5.5822 5.5822 7.2788 7.2788 7.4392 7.4392 7.6893 7.6893 7.7458 7.7458 7.8344 7.8344 7.9134 7.9134 7.9453 7.9453 8.0111 8.0111 8.0845 8.0845 8.1846 8.1846 10.8515 10.8515 10.9031 10.9031 13.2577 13.2577 13.4187 13.4187 13.4688 13.4688 13.6315 13.6315 k = 0.5156 0.2436 0.2296 ( 2482 PWs) bands (ev): -38.0314 -38.0314 -17.0473 -17.0473 -16.5518 -16.5518 -16.5374 -16.5374 4.6565 4.6565 5.5911 5.5911 7.2764 7.2764 7.4363 7.4363 7.6844 7.6844 7.7478 7.7478 7.8283 7.8283 7.9178 7.9178 7.9484 7.9484 8.0153 8.0153 8.0857 8.0857 8.1877 8.1877 10.8138 10.8138 10.8978 10.8978 13.2173 13.2173 13.4026 13.4026 13.4573 13.4573 13.6926 13.6926 k = 0.5195 0.2323 0.2360 ( 2488 PWs) bands (ev): -38.0314 -38.0314 -17.0474 -17.0474 -16.5517 -16.5517 -16.5375 -16.5375 4.6635 4.6635 5.6024 5.6024 7.2726 7.2726 7.4331 7.4331 7.6787 7.6787 7.7497 7.7497 7.8222 7.8222 7.9219 7.9219 7.9523 7.9523 8.0204 8.0204 8.0873 8.0873 8.1918 8.1918 10.7664 10.7664 10.8917 10.8917 13.1648 13.1648 13.3915 13.3915 13.4433 13.4433 13.7627 13.7627 k = 0.5234 0.2210 0.2424 ( 2478 PWs) bands (ev): -38.0313 -38.0313 -17.0474 -17.0474 -16.5517 -16.5517 -16.5377 -16.5377 4.6720 4.6720 5.6162 5.6162 7.2672 7.2672 7.4302 7.4302 7.6726 7.6726 7.7511 7.7511 7.8166 7.8166 7.9258 7.9258 7.9569 7.9569 8.0264 8.0264 8.0895 8.0895 8.1968 8.1968 10.7109 10.7109 10.8847 10.8847 13.1019 13.1019 13.3846 13.3846 13.4270 13.4270 13.8410 13.8410 k = 0.5273 0.2097 0.2488 ( 2475 PWs) bands (ev): -38.0313 -38.0313 -17.0475 -17.0475 -16.5516 -16.5516 -16.5378 -16.5378 4.6820 4.6820 5.6324 5.6324 7.2596 7.2596 7.4280 7.4280 7.6661 7.6661 7.7518 7.7518 7.8118 7.8118 7.9294 7.9294 7.9618 7.9618 8.0328 8.0328 8.0923 8.0923 8.2026 8.2026 10.6484 10.6484 10.8765 10.8765 13.0306 13.0306 13.3807 13.3807 13.4091 13.4091 13.9267 13.9267 k = 0.5312 0.1985 0.2552 ( 2473 PWs) bands (ev): -38.0313 -38.0313 -17.0475 -17.0475 -16.5516 -16.5516 -16.5380 -16.5380 4.6935 4.6935 5.6509 5.6509 7.2494 7.2494 7.4269 7.4269 7.6592 7.6592 7.7517 7.7517 7.8082 7.8082 7.9329 7.9329 7.9669 7.9669 8.0395 8.0395 8.0958 8.0958 8.2092 8.2092 10.5803 10.5803 10.8671 10.8671 12.9528 12.9528 13.3787 13.3787 13.3903 13.3903 14.0184 14.0184 k = 0.5352 0.1872 0.2615 ( 2470 PWs) bands (ev): -38.0313 -38.0313 -17.0476 -17.0476 -16.5515 -16.5515 -16.5383 -16.5383 4.7065 4.7065 5.6716 5.6716 7.2364 7.2364 7.4272 7.4272 7.6521 7.6521 7.7507 7.7507 7.8058 7.8058 7.9364 7.9364 7.9721 7.9721 8.0461 8.0461 8.1001 8.1001 8.2167 8.2167 10.5075 10.5075 10.8566 10.8566 12.8700 12.8700 13.3679 13.3679 13.3814 13.3814 14.1143 14.1143 k = 0.5391 0.1759 0.2679 ( 2470 PWs) bands (ev): -38.0313 -38.0313 -17.0477 -17.0477 -16.5515 -16.5515 -16.5385 -16.5385 4.7210 4.7210 5.6946 5.6946 7.2204 7.2204 7.4290 7.4290 7.6447 7.6447 7.7489 7.7489 7.8047 7.8047 7.9398 7.9398 7.9775 7.9775 8.0524 8.0524 8.1053 8.1053 8.2250 8.2250 10.4309 10.4309 10.8449 10.8449 12.7836 12.7836 13.3477 13.3477 13.3829 13.3829 14.2101 14.2101 k = 0.5430 0.1646 0.2743 ( 2470 PWs) bands (ev): -38.0313 -38.0313 -17.0477 -17.0477 -16.5514 -16.5514 -16.5388 -16.5388 4.7369 4.7369 5.7196 5.7196 7.2016 7.2016 7.4325 7.4325 7.6371 7.6371 7.7463 7.7463 7.8049 7.8049 7.9430 7.9430 7.9832 7.9832 8.0584 8.0584 8.1112 8.1112 8.2340 8.2340 10.3514 10.3514 10.8321 10.8321 12.6948 12.6948 13.3270 13.3270 13.3862 13.3862 14.2848 14.2848 k = 0.5469 0.1534 0.2807 ( 2467 PWs) bands (ev): -38.0313 -38.0313 -17.0478 -17.0478 -16.5514 -16.5514 -16.5391 -16.5391 4.7541 4.7541 5.7467 5.7467 7.1800 7.1800 7.4374 7.4374 7.6293 7.6293 7.7431 7.7431 7.8063 7.8063 7.9461 7.9461 7.9891 7.9891 8.0640 8.0640 8.1177 8.1177 8.2437 8.2437 10.2697 10.2697 10.8182 10.8182 12.6047 12.6047 13.3066 13.3066 13.3907 13.3907 14.2977 14.2977 k = 0.5508 0.1421 0.2870 ( 2469 PWs) bands (ev): -38.0313 -38.0313 -17.0479 -17.0479 -16.5513 -16.5513 -16.5394 -16.5394 4.7727 4.7727 5.7756 5.7756 7.1559 7.1559 7.4436 7.4436 7.6213 7.6213 7.7396 7.7396 7.8087 7.8087 7.9489 7.9489 7.9954 7.9954 8.0695 8.0695 8.1246 8.1246 8.2541 8.2541 10.1864 10.1864 10.8031 10.8031 12.5141 12.5141 13.2867 13.2867 13.3963 13.3963 14.2850 14.2850 k = 0.5547 0.1308 0.2934 ( 2467 PWs) bands (ev): -38.0312 -38.0312 -17.0480 -17.0480 -16.5513 -16.5513 -16.5397 -16.5397 4.7927 4.7927 5.8062 5.8062 7.1296 7.1296 7.4510 7.4510 7.6133 7.6133 7.7359 7.7359 7.8119 7.8119 7.9513 7.9513 8.0021 8.0021 8.0748 8.0748 8.1318 8.1318 8.2652 8.2652 10.1021 10.1021 10.7871 10.7871 12.4238 12.4238 13.2677 13.2677 13.4029 13.4029 14.2661 14.2661 k = 0.5586 0.1195 0.2998 ( 2467 PWs) bands (ev): -38.0312 -38.0312 -17.0481 -17.0481 -16.5512 -16.5512 -16.5400 -16.5400 4.8138 4.8138 5.8384 5.8384 7.1011 7.1011 7.4594 7.4594 7.6051 7.6051 7.7320 7.7320 7.8158 7.8158 7.9535 7.9535 8.0091 8.0091 8.0803 8.0803 8.1390 8.1390 8.2767 8.2767 10.0174 10.0174 10.7700 10.7700 12.3345 12.3345 13.2499 13.2499 13.4103 13.4103 14.2438 14.2438 k = 0.5625 0.1083 0.3062 ( 2466 PWs) bands (ev): -38.0312 -38.0312 -17.0482 -17.0482 -16.5512 -16.5512 -16.5403 -16.5403 4.8362 4.8362 5.8720 5.8720 7.0707 7.0707 7.4685 7.4685 7.5970 7.5970 7.7282 7.7282 7.8204 7.8204 7.9554 7.9554 8.0164 8.0164 8.0861 8.0861 8.1460 8.1460 8.2888 8.2888 9.9328 9.9328 10.7520 10.7520 12.2467 12.2467 13.2335 13.2335 13.4186 13.4186 14.2191 14.2191 k = 0.5664 0.0970 0.3126 ( 2470 PWs) bands (ev): -38.0312 -38.0312 -17.0484 -17.0484 -16.5511 -16.5511 -16.5406 -16.5406 4.8596 4.8596 5.9067 5.9067 7.0385 7.0385 7.4782 7.4782 7.5891 7.5891 7.7244 7.7244 7.8254 7.8254 7.9569 7.9569 8.0241 8.0241 8.0923 8.0923 8.1528 8.1528 8.3011 8.3011 9.8487 9.8487 10.7331 10.7331 12.1609 12.1609 13.2186 13.2186 13.4277 13.4277 14.1921 14.1921 k = 0.5703 0.0857 0.3189 ( 2466 PWs) bands (ev): -38.0312 -38.0312 -17.0485 -17.0485 -16.5511 -16.5511 -16.5409 -16.5409 4.8841 4.8841 5.9424 5.9424 7.0049 7.0049 7.4881 7.4881 7.5815 7.5815 7.7208 7.7208 7.8309 7.8309 7.9583 7.9583 8.0320 8.0320 8.0990 8.0990 8.1594 8.1594 8.3137 8.3137 9.7658 9.7658 10.7135 10.7135 12.0775 12.0775 13.2056 13.2056 13.4377 13.4377 14.1634 14.1634 k = 0.5742 0.0744 0.3253 ( 2468 PWs) bands (ev): -38.0311 -38.0311 -17.0486 -17.0486 -16.5510 -16.5510 -16.5413 -16.5413 4.9095 4.9095 5.9787 5.9787 6.9699 6.9699 7.4979 7.4979 7.5745 7.5745 7.7174 7.7174 7.8366 7.8366 7.9596 7.9596 8.0402 8.0402 8.1062 8.1062 8.1656 8.1656 8.3263 8.3263 9.6844 9.6844 10.6930 10.6930 11.9968 11.9968 13.1944 13.1944 13.4483 13.4483 14.1330 14.1330 k = 0.5781 0.0631 0.3317 ( 2470 PWs) bands (ev): -38.0311 -38.0311 -17.0487 -17.0487 -16.5510 -16.5510 -16.5416 -16.5416 4.9357 4.9357 6.0152 6.0152 6.9339 6.9339 7.5070 7.5070 7.5687 7.5687 7.7142 7.7142 7.8424 7.8424 7.9607 7.9607 8.0487 8.0487 8.1140 8.1140 8.1715 8.1715 8.3387 8.3387 9.6051 9.6051 10.6718 10.6718 11.9191 11.9191 13.1853 13.1853 13.4598 13.4598 14.1012 14.1012 k = 0.5820 0.0519 0.3381 ( 2474 PWs) bands (ev): -38.0311 -38.0311 -17.0488 -17.0488 -16.5510 -16.5510 -16.5419 -16.5419 4.9625 4.9625 6.0517 6.0517 6.8972 6.8972 7.5141 7.5141 7.5652 7.5652 7.7114 7.7114 7.8482 7.8482 7.9618 7.9618 8.0576 8.0576 8.1224 8.1224 8.1772 8.1772 8.3509 8.3509 9.5285 9.5285 10.6501 10.6501 11.8446 11.8446 13.1783 13.1783 13.4719 13.4719 14.0681 14.0681 k = 0.5859 0.0406 0.3445 ( 2474 PWs) bands (ev): -38.0311 -38.0311 -17.0489 -17.0489 -16.5509 -16.5509 -16.5422 -16.5422 4.9898 4.9898 6.0874 6.0874 6.8601 6.8601 7.5179 7.5179 7.5654 7.5654 7.7090 7.7090 7.8538 7.8538 7.9630 7.9630 8.0670 8.0670 8.1313 8.1313 8.1827 8.1827 8.3624 8.3624 9.4552 9.4552 10.6278 10.6278 11.7734 11.7734 13.1734 13.1734 13.4847 13.4847 14.0339 14.0339 k = 0.5898 0.0293 0.3508 ( 2471 PWs) bands (ev): -38.0311 -38.0311 -17.0490 -17.0490 -16.5509 -16.5509 -16.5424 -16.5424 5.0174 5.0174 6.1219 6.1219 6.8233 6.8233 7.5177 7.5177 7.5697 7.5697 7.7071 7.7071 7.8589 7.8589 7.9644 7.9644 8.0769 8.0769 8.1406 8.1406 8.1881 8.1881 8.3731 8.3731 9.3859 9.3859 10.6052 10.6052 11.7056 11.7056 13.1708 13.1708 13.4981 13.4981 13.9986 13.9986 k = 0.5938 0.0180 0.3572 ( 2477 PWs) bands (ev): -38.0311 -38.0311 -17.0491 -17.0491 -16.5509 -16.5509 -16.5427 -16.5427 5.0449 5.0449 6.1542 6.1542 6.7875 6.7875 7.5147 7.5147 7.5768 7.5768 7.7059 7.7059 7.8634 7.8634 7.9659 7.9659 8.0876 8.0876 8.1501 8.1501 8.1937 8.1937 8.3826 8.3826 9.3213 9.3213 10.5821 10.5821 11.6412 11.6412 13.1704 13.1704 13.5120 13.5120 13.9620 13.9620 k = 0.5977 0.0068 0.3636 ( 2475 PWs) bands (ev): -38.0310 -38.0310 -17.0492 -17.0492 -16.5509 -16.5509 -16.5429 -16.5429 5.0722 5.0722 6.1832 6.1832 6.7539 6.7539 7.5105 7.5105 7.5850 7.5850 7.7056 7.7056 7.8671 7.8671 7.9675 7.9675 8.0990 8.0990 8.1598 8.1598 8.1996 8.1996 8.3907 8.3907 9.2621 9.2621 10.5588 10.5588 11.5803 11.5803 13.1722 13.1722 13.5263 13.5263 13.9244 13.9244 k = 0.6016-0.0045 0.3700 ( 2475 PWs) bands (ev): -38.0310 -38.0310 -17.0493 -17.0493 -16.5510 -16.5510 -16.5430 -16.5430 5.0989 5.0989 6.2076 6.2076 6.7237 6.7237 7.5058 7.5058 7.5932 7.5932 7.7063 7.7063 7.8698 7.8698 7.9693 7.9693 8.1112 8.1112 8.1694 8.1694 8.2063 8.2063 8.3970 8.3970 9.2092 9.2092 10.5353 10.5353 11.5228 11.5228 13.1764 13.1764 13.5407 13.5407 13.8858 13.8858 k = 0.6055-0.0158 0.3764 ( 2472 PWs) bands (ev): -38.0310 -38.0310 -17.0494 -17.0494 -16.5510 -16.5510 -16.5432 -16.5432 5.1245 5.1245 6.2255 6.2255 6.6989 6.6989 7.5014 7.5014 7.6006 7.6006 7.7084 7.7084 7.8716 7.8716 7.9711 7.9711 8.1239 8.1239 8.1787 8.1787 8.2138 8.2138 8.4014 8.4014 9.1634 9.1634 10.5117 10.5117 11.4687 11.4687 13.1827 13.1827 13.5549 13.5549 13.8466 13.8466 k = 0.6094-0.0271 0.3827 ( 2468 PWs) bands (ev): -38.0310 -38.0310 -17.0495 -17.0495 -16.5510 -16.5510 -16.5433 -16.5433 5.1484 5.1484 6.2355 6.2355 6.6813 6.6813 7.4975 7.4975 7.6067 7.6067 7.7118 7.7118 7.8723 7.8723 7.9726 7.9726 8.1368 8.1368 8.1878 8.1878 8.2225 8.2225 8.4040 8.4040 9.1254 9.1254 10.4881 10.4881 11.4178 11.4178 13.1913 13.1913 13.5682 13.5682 13.8071 13.8071 k = 0.6133-0.0383 0.3891 ( 2468 PWs) bands (ev): -38.0310 -38.0310 -17.0495 -17.0495 -16.5510 -16.5510 -16.5434 -16.5434 5.1700 5.1700 6.2362 6.2362 6.6725 6.6725 7.4944 7.4944 7.6112 7.6112 7.7167 7.7167 7.8720 7.8720 7.9737 7.9737 8.1490 8.1490 8.1971 8.1971 8.2321 8.2321 8.4051 8.4051 9.0956 9.0956 10.4646 10.4646 11.3701 11.3701 13.2020 13.2020 13.5797 13.5797 13.7676 13.7676 k = 0.6172-0.0496 0.3955 ( 2468 PWs) bands (ev): -38.0310 -38.0310 -17.0496 -17.0496 -16.5511 -16.5511 -16.5435 -16.5435 5.1885 5.1885 6.2281 6.2281 6.6727 6.6727 7.4922 7.4922 7.6141 7.6141 7.7228 7.7228 7.8710 7.8710 7.9742 7.9742 8.1596 8.1596 8.2071 8.2071 8.2420 8.2420 8.4061 8.4061 9.0744 9.0744 10.4412 10.4412 11.3254 11.3254 13.2149 13.2149 13.5879 13.5879 13.7283 13.7283 k = 0.6211-0.0609 0.4019 ( 2466 PWs) bands (ev): -38.0310 -38.0310 -17.0496 -17.0496 -16.5512 -16.5512 -16.5435 -16.5435 5.2030 5.2030 6.2128 6.2128 6.6810 6.6810 7.4910 7.4910 7.6155 7.6155 7.7299 7.7299 7.8693 7.8693 7.9740 7.9740 8.1676 8.1676 8.2181 8.2181 8.2515 8.2515 8.4089 8.4089 9.0617 9.0617 10.4180 10.4180 11.2836 11.2836 13.2297 13.2297 13.5909 13.5909 13.6896 13.6896 k = 0.6250-0.0722 0.4082 ( 2482 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5513 -16.5513 -16.5436 -16.5436 5.2123 5.2123 6.1929 6.1929 6.6957 6.6957 7.4909 7.4909 7.6156 7.6156 7.7374 7.7374 7.8670 7.8670 7.9727 7.9727 8.1726 8.1726 8.2290 8.2290 8.2601 8.2601 8.4157 8.4157 9.0570 9.0570 10.3951 10.3951 11.2444 11.2444 13.2464 13.2464 13.5873 13.5873 13.6516 13.6516 k = 0.6250-0.0722 0.4082 ( 2482 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5513 -16.5513 -16.5436 -16.5436 5.2123 5.2123 6.1929 6.1929 6.6957 6.6957 7.4909 7.4909 7.6156 7.6156 7.7374 7.7374 7.8670 7.8670 7.9727 7.9727 8.1726 8.1726 8.2290 8.2290 8.2601 8.2601 8.4157 8.4157 9.0570 9.0570 10.3951 10.3951 11.2444 11.2444 13.2464 13.2464 13.5873 13.5873 13.6516 13.6516 k = 0.6181-0.0682 0.4196 ( 2469 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5512 -16.5512 -16.5435 -16.5435 5.2129 5.2129 6.1937 6.1937 6.6950 6.6950 7.4905 7.4905 7.6164 7.6164 7.7385 7.7385 7.8673 7.8673 7.9728 7.9728 8.1720 8.1720 8.2248 8.2248 8.2631 8.2631 8.4182 8.4182 9.0571 9.0571 10.3776 10.3776 11.2609 11.2609 13.2437 13.2437 13.5876 13.5876 13.6394 13.6394 k = 0.6111-0.0642 0.4309 ( 2465 PWs) bands (ev): -38.0310 -38.0310 -17.0496 -17.0496 -16.5512 -16.5512 -16.5436 -16.5436 5.2145 5.2145 6.1961 6.1961 6.6927 6.6927 7.4893 7.4893 7.6186 7.6186 7.7416 7.7416 7.8680 7.8680 7.9729 7.9729 8.1697 8.1697 8.2156 8.2156 8.2689 8.2689 8.4252 8.4252 9.0573 9.0573 10.3288 10.3288 11.3066 11.3066 13.2357 13.2357 13.5878 13.5878 13.6116 13.6116 k = 0.6042-0.0601 0.4423 ( 2464 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5512 -16.5512 -16.5436 -16.5436 5.2173 5.2173 6.2000 6.2000 6.6889 6.6889 7.4875 7.4875 7.6222 7.6222 7.7465 7.7465 7.8693 7.8693 7.9729 7.9729 8.1650 8.1650 8.2058 8.2058 8.2746 8.2746 8.4363 8.4363 9.0576 9.0576 10.2569 10.2569 11.3734 11.3734 13.2225 13.2225 13.5727 13.5727 13.5934 13.5934 k = 0.5972-0.0561 0.4536 ( 2466 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5511 -16.5511 -16.5437 -16.5437 5.2210 5.2210 6.2055 6.2055 6.6836 6.6836 7.4852 7.4852 7.6268 7.6268 7.7529 7.7529 7.8712 7.8712 7.9729 7.9729 8.1571 8.1571 8.1979 8.1979 8.2795 8.2795 8.4505 8.4505 9.0580 9.0580 10.1699 10.1699 11.4535 11.4535 13.2046 13.2046 13.5373 13.5373 13.5942 13.5942 k = 0.5903-0.0521 0.4649 ( 2466 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5511 -16.5511 -16.5438 -16.5438 5.2257 5.2257 6.2125 6.2125 6.6767 6.6767 7.4826 7.4826 7.6323 7.6323 7.7605 7.7605 7.8740 7.8740 7.9728 7.9728 8.1462 8.1462 8.1927 8.1927 8.2838 8.2838 8.4670 8.4670 9.0584 9.0584 10.0737 10.0737 11.5413 11.5413 13.1821 13.1821 13.5007 13.5007 13.5961 13.5961 k = 0.5833-0.0481 0.4763 ( 2468 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5510 -16.5510 -16.5439 -16.5439 5.2314 5.2314 6.2211 6.2211 6.6683 6.6683 7.4799 7.4799 7.6385 7.6385 7.7685 7.7685 7.8781 7.8781 7.9724 7.9724 8.1334 8.1334 8.1895 8.1895 8.2879 8.2879 8.4850 8.4850 9.0590 9.0590 9.9722 9.9722 11.6330 11.6330 13.1556 13.1556 13.4649 13.4649 13.5981 13.5981 k = 0.5764-0.0441 0.4876 ( 2462 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5509 -16.5509 -16.5440 -16.5440 5.2379 5.2379 6.2312 6.2312 6.6583 6.6583 7.4773 7.4773 7.6454 7.6454 7.7762 7.7762 7.8836 7.8836 7.9719 7.9719 8.1205 8.1205 8.1875 8.1875 8.2922 8.2922 8.5040 8.5040 9.0598 9.0598 9.8682 9.8682 11.7262 11.7262 13.1254 13.1254 13.4306 13.4306 13.5999 13.5999 k = 0.5694-0.0401 0.4990 ( 2468 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5509 -16.5509 -16.5441 -16.5441 5.2451 5.2451 6.2429 6.2429 6.6467 6.6467 7.4747 7.4747 7.6526 7.6526 7.7826 7.7826 7.8909 7.8909 7.9709 7.9709 8.1081 8.1081 8.1861 8.1861 8.2972 8.2972 8.5233 8.5233 9.0606 9.0606 9.7637 9.7637 11.8195 11.8195 13.0916 13.0916 13.3982 13.3982 13.6012 13.6012 k = 0.5625-0.0361 0.5103 ( 2474 PWs) bands (ev): -38.0310 -38.0310 -17.0498 -17.0498 -16.5508 -16.5508 -16.5443 -16.5443 5.2529 5.2529 6.2560 6.2560 6.6335 6.6335 7.4722 7.4722 7.6602 7.6602 7.7872 7.7872 7.8998 7.8998 7.9695 7.9695 8.0970 8.0970 8.1850 8.1850 8.3033 8.3033 8.5423 8.5423 9.0615 9.0615 9.6605 9.6605 11.9116 11.9116 13.0545 13.0545 13.3680 13.3680 13.6021 13.6021 k = 0.5556-0.0321 0.5217 ( 2471 PWs) bands (ev): -38.0310 -38.0310 -17.0498 -17.0498 -16.5507 -16.5507 -16.5444 -16.5444 5.2611 5.2611 6.2707 6.2707 6.6187 6.6187 7.4699 7.4699 7.6683 7.6683 7.7896 7.7896 7.9102 7.9102 7.9678 7.9678 8.0877 8.0877 8.1841 8.1841 8.3113 8.3113 8.5606 8.5606 9.0625 9.0625 9.5601 9.5601 12.0019 12.0019 13.0145 13.0145 13.3404 13.3404 13.6025 13.6025 k = 0.5486-0.0281 0.5330 ( 2470 PWs) bands (ev): -38.0310 -38.0310 -17.0498 -17.0498 -16.5506 -16.5506 -16.5445 -16.5445 5.2696 5.2696 6.2869 6.2869 6.6023 6.6023 7.4679 7.4679 7.6767 7.6767 7.7897 7.7897 7.9212 7.9212 7.9659 7.9659 8.0803 8.0803 8.1834 8.1834 8.3215 8.3215 8.5773 8.5773 9.0636 9.0636 9.4641 9.4641 12.0897 12.0897 12.9717 12.9717 13.3153 13.3153 13.6024 13.6024 k = 0.5417-0.0241 0.5443 ( 2472 PWs) bands (ev): -38.0310 -38.0310 -17.0498 -17.0498 -16.5506 -16.5506 -16.5446 -16.5446 5.2782 5.2782 6.3044 6.3044 6.5841 6.5841 7.4660 7.4660 7.6855 7.6855 7.7875 7.7875 7.9320 7.9320 7.9640 7.9640 8.0747 8.0747 8.1825 8.1825 8.3344 8.3344 8.5916 8.5916 9.0648 9.0648 9.3742 9.3742 12.1747 12.1747 12.9263 12.9263 13.2931 13.2931 13.6019 13.6019 k = 0.5347-0.0200 0.5557 ( 2472 PWs) bands (ev): -38.0309 -38.0309 -17.0498 -17.0498 -16.5505 -16.5505 -16.5448 -16.5448 5.2865 5.2865 6.3234 6.3234 6.5644 6.5644 7.4643 7.4643 7.6945 7.6945 7.7834 7.7834 7.9416 7.9416 7.9626 7.9626 8.0708 8.0708 8.1817 8.1817 8.3505 8.3505 8.6023 8.6023 9.0658 9.0658 9.2925 9.2925 12.2565 12.2565 12.8784 12.8784 13.2740 13.2740 13.6010 13.6010 k = 0.5278-0.0160 0.5670 ( 2477 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5504 -16.5504 -16.5449 -16.5449 5.2942 5.2942 6.3437 6.3437 6.5431 6.5431 7.4629 7.4629 7.7038 7.7038 7.7776 7.7776 7.9488 7.9488 7.9623 7.9623 8.0684 8.0684 8.1808 8.1808 8.3697 8.3697 8.6078 8.6078 9.0666 9.0666 9.2218 9.2218 12.3346 12.3346 12.8282 12.8282 13.2581 13.2581 13.6000 13.6000 k = 0.5208-0.0120 0.5784 ( 2477 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5504 -16.5504 -16.5450 -16.5450 5.3011 5.3011 6.3652 6.3652 6.5205 6.5205 7.4617 7.4617 7.7132 7.7132 7.7705 7.7705 7.9530 7.9530 7.9637 7.9637 8.0670 8.0670 8.1798 8.1798 8.3916 8.3916 8.6067 8.6067 9.0665 9.0665 9.1654 9.1654 12.4090 12.4090 12.7758 12.7758 13.2455 13.2455 13.5990 13.5990 k = 0.5139-0.0080 0.5897 ( 2477 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5503 -16.5503 -16.5451 -16.5451 5.3067 5.3067 6.3876 6.3876 6.4970 6.4970 7.4608 7.4608 7.7226 7.7226 7.7625 7.7625 7.9548 7.9548 7.9658 7.9658 8.0663 8.0663 8.1790 8.1790 8.4146 8.4146 8.5984 8.5984 9.0645 9.0645 9.1268 9.1268 12.4793 12.4793 12.7213 12.7213 13.2364 13.2364 13.5980 13.5980 k = 0.5069-0.0040 0.6010 ( 2477 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5503 -16.5503 -16.5451 -16.5451 5.3104 5.3104 6.4097 6.4097 6.4740 6.4740 7.4603 7.4603 7.7315 7.7315 7.7543 7.7543 7.9559 7.9559 7.9671 7.9671 8.0661 8.0661 8.1784 8.1784 8.4350 8.4350 8.5860 8.5860 9.0601 9.0601 9.1076 9.1076 12.5453 12.5453 12.6649 12.6649 13.2309 13.2309 13.5973 13.5973 k = 0.5000 0.0000 0.6124 ( 2488 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5503 -16.5503 -16.5452 -16.5452 5.3117 5.3117 6.4230 6.4230 6.4602 6.4602 7.4600 7.4600 7.7368 7.7368 7.7492 7.7492 7.9564 7.9564 7.9673 7.9673 8.0660 8.0660 8.1781 8.1781 8.4444 8.4444 8.5788 8.5788 9.0574 9.0574 9.1028 9.1028 12.6066 12.6066 12.6068 12.6068 13.2291 13.2291 13.5970 13.5970 k = 0.5000 0.0000 0.6124 ( 2488 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5503 -16.5503 -16.5452 -16.5452 5.3117 5.3117 6.4230 6.4230 6.4602 6.4602 7.4600 7.4600 7.7368 7.7368 7.7492 7.7492 7.9564 7.9564 7.9673 7.9673 8.0660 8.0660 8.1781 8.1781 8.4444 8.4444 8.5788 8.5788 9.0574 9.0574 9.1028 9.1028 12.6066 12.6066 12.6068 12.6068 13.2291 13.2291 13.5970 13.5970 k = 0.5000 0.0080 0.6010 ( 2478 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5503 -16.5503 -16.5451 -16.5451 5.3094 5.3094 6.4234 6.4234 6.4608 6.4608 7.4602 7.4602 7.7366 7.7366 7.7493 7.7493 7.9557 7.9557 7.9660 7.9660 8.0657 8.0657 8.1777 8.1777 8.4402 8.4402 8.5770 8.5770 9.0635 9.0635 9.1100 9.1100 12.6031 12.6031 12.6079 12.6079 13.2332 13.2332 13.5979 13.5979 k = 0.5000 0.0160 0.5897 ( 2478 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5503 -16.5503 -16.5451 -16.5451 5.3024 5.3024 6.4227 6.4227 6.4642 6.4642 7.4608 7.4608 7.7358 7.7358 7.7497 7.7497 7.9525 7.9525 7.9629 7.9629 8.0648 8.0648 8.1766 8.1766 8.4284 8.4284 8.5717 8.5717 9.0793 9.0793 9.1328 9.1328 12.5925 12.5925 12.6115 12.6115 13.2450 13.2450 13.6007 13.6007 k = 0.5000 0.0241 0.5784 ( 2478 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5503 -16.5503 -16.5450 -16.5450 5.2909 5.2909 6.4173 6.4173 6.4738 6.4738 7.4618 7.4618 7.7345 7.7345 7.7502 7.7502 7.9443 7.9443 7.9607 7.9607 8.0635 8.0635 8.1748 8.1748 8.4117 8.4117 8.5629 8.5629 9.1006 9.1006 9.1726 9.1726 12.5761 12.5761 12.6174 12.6174 13.2633 13.2633 13.6057 13.6057 k = 0.5000 0.0321 0.5670 ( 2478 PWs) bands (ev): -38.0310 -38.0310 -17.0498 -17.0498 -16.5503 -16.5503 -16.5449 -16.5449 5.2755 5.2755 6.4062 6.4062 6.4903 6.4903 7.4632 7.4632 7.7326 7.7326 7.7508 7.7508 7.9316 7.9316 7.9594 7.9594 8.0620 8.0620 8.1723 8.1723 8.3926 8.3926 8.5510 8.5510 9.1259 9.1259 9.2271 9.2271 12.5552 12.5552 12.6257 12.6257 13.2862 13.2862 13.6133 13.6133 k = 0.5000 0.0401 0.5557 ( 2478 PWs) bands (ev): -38.0310 -38.0310 -17.0498 -17.0498 -16.5504 -16.5504 -16.5448 -16.5448 5.2565 5.2565 6.3902 6.3902 6.5126 6.5126 7.4649 7.4649 7.7299 7.7299 7.7515 7.7515 7.9155 7.9155 7.9585 7.9585 8.0604 8.0604 8.1692 8.1692 8.3730 8.3730 8.5366 8.5366 9.1553 9.1553 9.2931 9.2931 12.5313 12.5313 12.6363 12.6363 13.3117 13.3117 13.6241 13.6241 k = 0.5000 0.0481 0.5443 ( 2474 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5504 -16.5504 -16.5446 -16.5446 5.2346 5.2346 6.3701 6.3701 6.5393 6.5393 7.4670 7.4670 7.7263 7.7263 7.7521 7.7521 7.8975 7.8975 7.9576 7.9576 8.0587 8.0587 8.1655 8.1655 8.3541 8.3541 8.5204 8.5204 9.1886 9.1886 9.3676 9.3676 12.5059 12.5059 12.6491 12.6491 13.3378 13.3378 13.6388 13.6388 k = 0.5000 0.0561 0.5330 ( 2468 PWs) bands (ev): -38.0310 -38.0310 -17.0496 -17.0496 -16.5504 -16.5504 -16.5444 -16.5444 5.2102 5.2102 6.3464 6.3464 6.5698 6.5698 7.4695 7.4695 7.7213 7.7213 7.7527 7.7527 7.8788 7.8788 7.9567 7.9567 8.0571 8.0571 8.1614 8.1614 8.3365 8.3365 8.5030 8.5030 9.2256 9.2256 9.4485 9.4485 12.4800 12.4800 12.6642 12.6642 13.3625 13.3625 13.6582 13.6582 k = 0.5000 0.0642 0.5217 ( 2470 PWs) bands (ev): -38.0310 -38.0310 -17.0496 -17.0496 -16.5505 -16.5505 -16.5442 -16.5442 5.1839 5.1839 6.3196 6.3196 6.6030 6.6030 7.4723 7.4723 7.7145 7.7145 7.7533 7.7533 7.8606 7.8606 7.9557 7.9557 8.0554 8.0554 8.1567 8.1567 8.3201 8.3201 8.4848 8.4848 9.2661 9.2661 9.5343 9.5343 12.4546 12.4546 12.6814 12.6814 13.3844 13.3844 13.6828 13.6828 k = 0.5000 0.0722 0.5103 ( 2470 PWs) bands (ev): -38.0310 -38.0310 -17.0495 -17.0495 -16.5505 -16.5505 -16.5439 -16.5439 5.1562 5.1562 6.2900 6.2900 6.6385 6.6385 7.4754 7.4754 7.7056 7.7056 7.7537 7.7537 7.8444 7.8444 7.9548 7.9548 8.0536 8.0536 8.1517 8.1517 8.3050 8.3050 8.4663 8.4663 9.3099 9.3099 9.6236 9.6236 12.4308 12.4308 12.7007 12.7007 13.4027 13.4027 13.7127 13.7127 k = 0.5000 0.0802 0.4990 ( 2466 PWs) bands (ev): -38.0310 -38.0310 -17.0494 -17.0494 -16.5505 -16.5505 -16.5437 -16.5437 5.1275 5.1275 6.2580 6.2580 6.6758 6.6758 7.4786 7.4786 7.6943 7.6943 7.7540 7.7540 7.8308 7.8308 7.9538 7.9538 8.0518 8.0518 8.1462 8.1462 8.2908 8.2908 8.4478 8.4478 9.3568 9.3568 9.7152 9.7152 12.4091 12.4091 12.7219 12.7219 13.4173 13.4173 13.7474 13.7474 k = 0.5000 0.0882 0.4876 ( 2462 PWs) bands (ev): -38.0310 -38.0310 -17.0493 -17.0493 -16.5506 -16.5506 -16.5434 -16.5434 5.0981 5.0981 6.2240 6.2240 6.7142 6.7142 7.4819 7.4819 7.6810 7.6810 7.7542 7.7542 7.8204 7.8204 7.9529 7.9529 8.0499 8.0499 8.1403 8.1403 8.2774 8.2774 8.4295 8.4295 9.4067 9.4067 9.8083 9.8083 12.3905 12.3905 12.7451 12.7451 13.4285 13.4285 13.7859 13.7859 k = 0.5000 0.0962 0.4763 ( 2470 PWs) bands (ev): -38.0310 -38.0310 -17.0492 -17.0492 -16.5506 -16.5506 -16.5431 -16.5431 5.0684 5.0684 6.1883 6.1883 6.7535 6.7535 7.4851 7.4851 7.6663 7.6663 7.7542 7.7542 7.8127 7.8127 7.9519 7.9519 8.0477 8.0477 8.1341 8.1341 8.2645 8.2645 8.4116 8.4116 9.4593 9.4593 9.9017 9.9017 12.3754 12.3754 12.7700 12.7700 13.4369 13.4369 13.8273 13.8273 k = 0.5000 0.1042 0.4649 ( 2464 PWs) bands (ev): -38.0311 -38.0311 -17.0491 -17.0491 -16.5507 -16.5507 -16.5428 -16.5428 5.0387 5.0387 6.1514 6.1514 6.7931 6.7931 7.4880 7.4880 7.6512 7.6512 7.7542 7.7542 7.8073 7.8073 7.9510 7.9510 8.0453 8.0453 8.1277 8.1277 8.2520 8.2520 8.3942 8.3942 9.5149 9.5149 9.9948 9.9948 12.3647 12.3647 12.7965 12.7965 13.4430 13.4430 13.8707 13.8707 k = 0.5000 0.1123 0.4536 ( 2464 PWs) bands (ev): -38.0311 -38.0311 -17.0490 -17.0490 -16.5507 -16.5507 -16.5425 -16.5425 5.0091 5.0091 6.1135 6.1135 6.8327 6.8327 7.4902 7.4902 7.6368 7.6368 7.7542 7.7542 7.8036 7.8036 7.9500 7.9500 8.0426 8.0426 8.1211 8.1211 8.2397 8.2397 8.3775 8.3775 9.5732 9.5732 10.0864 10.0864 12.3589 12.3589 12.8246 12.8246 13.4474 13.4474 13.9150 13.9150 k = 0.5000 0.1203 0.4423 ( 2466 PWs) bands (ev): -38.0311 -38.0311 -17.0489 -17.0489 -16.5508 -16.5508 -16.5422 -16.5422 4.9800 4.9800 6.0752 6.0752 6.8721 6.8721 7.4913 7.4913 7.6240 7.6240 7.7540 7.7540 7.8011 7.8011 7.9491 7.9491 8.0396 8.0396 8.1144 8.1144 8.2275 8.2275 8.3614 8.3614 9.6341 9.6341 10.1758 10.1758 12.3588 12.3588 12.8541 12.8541 13.4504 13.4504 13.9597 13.9597 k = 0.5000 0.1283 0.4309 ( 2462 PWs) bands (ev): -38.0311 -38.0311 -17.0487 -17.0487 -16.5508 -16.5508 -16.5418 -16.5418 4.9516 4.9516 6.0366 6.0366 6.9109 6.9109 7.4909 7.4909 7.6136 7.6136 7.7538 7.7538 7.7994 7.7994 7.9482 7.9482 8.0362 8.0362 8.1079 8.1079 8.2155 8.2155 8.3460 8.3460 9.6976 9.6976 10.2620 10.2620 12.3649 12.3649 12.8849 12.8849 13.4525 13.4525 14.0040 14.0040 k = 0.5000 0.1363 0.4196 ( 2456 PWs) bands (ev): -38.0311 -38.0311 -17.0486 -17.0486 -16.5509 -16.5509 -16.5415 -16.5415 4.9238 4.9238 5.9982 5.9982 6.9488 6.9488 7.4885 7.4885 7.6065 7.6065 7.7536 7.7536 7.7984 7.7984 7.9474 7.9474 8.0323 8.0323 8.1016 8.1016 8.2035 8.2035 8.3312 8.3312 9.7635 9.7635 10.3441 10.3441 12.3779 12.3779 12.9168 12.9168 13.4538 13.4538 14.0475 14.0475 k = 0.5000 0.1443 0.4082 ( 2458 PWs) bands (ev): -38.0312 -38.0312 -17.0485 -17.0485 -16.5510 -16.5510 -16.5411 -16.5411 4.8970 4.8970 5.9603 5.9603 6.9857 6.9857 7.4839 7.4839 7.6027 7.6027 7.7534 7.7534 7.7978 7.7978 7.9464 7.9464 8.0279 8.0279 8.0956 8.0956 8.1916 8.1916 8.3171 8.3171 9.8317 9.8317 10.4211 10.4211 12.3983 12.3983 12.9495 12.9495 13.4546 13.4546 14.0897 14.0897 k = 0.5000 0.1524 0.3969 ( 2456 PWs) bands (ev): -38.0312 -38.0312 -17.0484 -17.0484 -16.5510 -16.5510 -16.5408 -16.5408 4.8711 4.8711 5.9230 5.9230 7.0213 7.0213 7.4775 7.4775 7.6021 7.6021 7.7532 7.7532 7.7974 7.7974 7.9455 7.9455 8.0230 8.0230 8.0900 8.0900 8.1798 8.1798 8.3037 8.3037 9.9021 9.9021 10.4926 10.4926 12.4264 12.4264 12.9830 12.9830 13.4549 13.4549 14.1302 14.1302 k = 0.5000 0.1604 0.3856 ( 2462 PWs) bands (ev): -38.0312 -38.0312 -17.0483 -17.0483 -16.5511 -16.5511 -16.5404 -16.5404 4.8464 4.8464 5.8867 5.8867 7.0553 7.0553 7.4699 7.4699 7.6042 7.6042 7.7530 7.7530 7.7973 7.7973 7.9444 7.9444 8.0177 8.0177 8.0846 8.0846 8.1681 8.1681 8.2909 8.2909 9.9744 9.9744 10.5577 10.5577 12.4624 12.4624 13.0170 13.0170 13.4550 13.4550 14.1686 14.1686 k = 0.5000 0.1684 0.3742 ( 2464 PWs) bands (ev): -38.0312 -38.0312 -17.0482 -17.0482 -16.5512 -16.5512 -16.5401 -16.5401 4.8228 4.8228 5.8516 5.8516 7.0876 7.0876 7.4617 7.4617 7.6082 7.6082 7.7528 7.7528 7.7974 7.7974 7.9433 7.9433 8.0121 8.0121 8.0796 8.0796 8.1566 8.1566 8.2787 8.2787 10.0483 10.0483 10.6163 10.6163 12.5063 12.5063 13.0514 13.0514 13.4548 13.4548 14.2046 14.2046 k = 0.5000 0.1764 0.3629 ( 2474 PWs) bands (ev): -38.0312 -38.0312 -17.0481 -17.0481 -16.5513 -16.5513 -16.5398 -16.5398 4.8005 4.8005 5.8180 5.8180 7.1180 7.1180 7.4535 7.4535 7.6137 7.6137 7.7527 7.7527 7.7976 7.7976 7.9420 7.9420 8.0061 8.0061 8.0748 8.0748 8.1455 8.1455 8.2670 8.2670 10.1235 10.1235 10.6681 10.6681 12.5577 12.5577 13.0858 13.0858 13.4545 13.4545 14.2376 14.2376 k = 0.5000 0.1844 0.3515 ( 2472 PWs) bands (ev): -38.0312 -38.0312 -17.0480 -17.0480 -16.5513 -16.5513 -16.5395 -16.5395 4.7795 4.7795 5.7859 5.7859 7.1462 7.1462 7.4460 7.4460 7.6202 7.6202 7.7528 7.7528 7.7981 7.7981 7.9406 7.9406 8.0001 8.0001 8.0700 8.0700 8.1350 8.1350 8.2560 8.2560 10.1997 10.1997 10.7132 10.7132 12.6159 12.6159 13.1201 13.1201 13.4542 13.4542 14.2670 14.2670 k = 0.5000 0.1925 0.3402 ( 2466 PWs) bands (ev): -38.0313 -38.0313 -17.0478 -17.0478 -16.5513 -16.5513 -16.5392 -16.5392 4.7600 4.7600 5.7557 5.7557 7.1720 7.1720 7.4393 7.4393 7.6273 7.6273 7.7530 7.7530 7.7988 7.7988 7.9390 7.9390 7.9940 7.9940 8.0651 8.0651 8.1252 8.1252 8.2456 8.2456 10.2763 10.2763 10.7519 10.7519 12.6800 12.6800 13.1542 13.1542 13.4539 13.4539 14.2903 14.2903 k = 0.5000 0.2005 0.3289 ( 2466 PWs) bands (ev): -38.0313 -38.0313 -17.0478 -17.0478 -16.5514 -16.5514 -16.5388 -16.5388 4.7418 4.7418 5.7273 5.7273 7.1952 7.1952 7.4339 7.4339 7.6348 7.6348 7.7532 7.7532 7.8000 7.8000 7.9373 7.9373 7.9878 7.9878 8.0598 8.0598 8.1164 8.1164 8.2358 8.2358 10.3528 10.3528 10.7847 10.7847 12.7487 12.7487 13.1875 13.1875 13.4538 13.4538 14.2883 14.2883 k = 0.5000 0.2085 0.3175 ( 2468 PWs) bands (ev): -38.0313 -38.0313 -17.0477 -17.0477 -16.5515 -16.5515 -16.5386 -16.5386 4.7251 4.7251 5.7010 5.7010 7.2155 7.2155 7.4299 7.4299 7.6424 7.6424 7.7534 7.7534 7.8016 7.8016 7.9353 7.9353 7.9817 7.9817 8.0541 8.0541 8.1087 8.1087 8.2267 8.2267 10.4284 10.4284 10.8120 10.8120 12.8206 12.8206 13.2200 13.2200 13.4538 13.4538 14.2257 14.2257 k = 0.5000 0.2165 0.3062 ( 2464 PWs) bands (ev): -38.0313 -38.0313 -17.0476 -17.0476 -16.5515 -16.5515 -16.5383 -16.5383 4.7099 4.7099 5.6769 5.6769 7.2327 7.2327 7.4276 7.4276 7.6500 7.6500 7.7535 7.7535 7.8039 7.8039 7.9333 7.9333 7.9756 7.9756 8.0478 8.0478 8.1023 8.1023 8.2182 8.2182 10.5024 10.5024 10.8346 10.8346 12.8941 12.8941 13.2514 13.2514 13.4542 13.4542 14.1329 14.1329 k = 0.5000 0.2245 0.2948 ( 2472 PWs) bands (ev): -38.0313 -38.0313 -17.0475 -17.0475 -16.5516 -16.5516 -16.5381 -16.5381 4.6962 4.6962 5.6551 5.6551 7.2468 7.2468 7.4269 7.4269 7.6574 7.6574 7.7533 7.7533 7.8069 7.8069 7.9309 7.9309 7.9697 7.9697 8.0410 8.0410 8.0972 8.0972 8.2105 8.2105 10.5738 10.5738 10.8530 10.8530 12.9673 12.9673 13.2816 13.2816 13.4550 13.4550 14.0356 14.0356 k = 0.5000 0.2325 0.2835 ( 2474 PWs) bands (ev): -38.0313 -38.0313 -17.0475 -17.0475 -16.5516 -16.5516 -16.5379 -16.5379 4.6840 4.6840 5.6356 5.6356 7.2578 7.2578 7.4278 7.4278 7.6646 7.6646 7.7527 7.7527 7.8109 7.8109 7.9283 7.9283 7.9638 7.9638 8.0341 8.0341 8.0931 8.0931 8.2037 8.2037 10.6416 10.6416 10.8678 10.8678 13.0382 13.0382 13.3103 13.3103 13.4564 13.4564 13.9412 13.9412 k = 0.5000 0.2406 0.2722 ( 2472 PWs) bands (ev): -38.0313 -38.0313 -17.0474 -17.0474 -16.5517 -16.5517 -16.5377 -16.5377 4.6735 4.6735 5.6186 5.6186 7.2661 7.2661 7.4299 7.4299 7.6715 7.6715 7.7516 7.7516 7.8158 7.8158 7.9254 7.9254 7.9583 7.9583 8.0274 8.0274 8.0900 8.0900 8.1976 8.1976 10.7045 10.7045 10.8797 10.8797 13.1047 13.1047 13.3376 13.3376 13.4586 13.4586 13.8526 13.8526 k = 0.5000 0.2486 0.2608 ( 2480 PWs) bands (ev): -38.0314 -38.0314 -17.0474 -17.0474 -16.5517 -16.5517 -16.5375 -16.5375 4.6645 4.6645 5.6041 5.6041 7.2720 7.2720 7.4327 7.4327 7.6779 7.6779 7.7500 7.7500 7.8215 7.8215 7.9220 7.9220 7.9532 7.9532 8.0212 8.0212 8.0876 8.0876 8.1924 8.1924 10.7611 10.7611 10.8891 10.8891 13.1646 13.1646 13.3635 13.3635 13.4618 13.4618 13.7714 13.7714 k = 0.5000 0.2566 0.2495 ( 2484 PWs) bands (ev): -38.0314 -38.0314 -17.0473 -17.0473 -16.5518 -16.5518 -16.5374 -16.5374 4.6572 4.6572 5.5922 5.5922 7.2760 7.2760 7.4359 7.4359 7.6838 7.6838 7.7481 7.7481 7.8277 7.8277 7.9181 7.9181 7.9488 7.9488 8.0158 8.0158 8.0858 8.0858 8.1881 8.1881 10.8099 10.8099 10.8965 10.8965 13.2156 13.2156 13.3884 13.3884 13.4663 13.4663 13.6988 13.6988 k = 0.5000 0.2646 0.2381 ( 2480 PWs) bands (ev): -38.0314 -38.0314 -17.0473 -17.0473 -16.5518 -16.5518 -16.5373 -16.5373 4.6514 4.6514 5.5828 5.5828 7.2787 7.2787 7.4390 7.4390 7.6890 7.6890 7.7459 7.7459 7.8339 7.8339 7.9137 7.9137 7.9455 7.9455 8.0114 8.0114 8.0846 8.0846 8.1848 8.1848 10.8492 10.8492 10.9025 10.9025 13.2560 13.2560 13.4128 13.4128 13.4719 13.4719 13.6355 13.6355 k = 0.5000 0.2726 0.2268 ( 2482 PWs) bands (ev): -38.0314 -38.0314 -17.0473 -17.0473 -16.5518 -16.5518 -16.5372 -16.5372 4.6473 4.6473 5.5761 5.5761 7.2803 7.2803 7.4415 7.4415 7.6931 7.6931 7.7439 7.7439 7.8396 7.8396 7.9094 7.9094 7.9432 7.9432 8.0082 8.0082 8.0837 8.0837 8.1824 8.1824 10.8769 10.8769 10.9080 10.9080 13.2844 13.2844 13.4376 13.4376 13.4778 13.4778 13.5820 13.5820 k = 0.5000 0.2807 0.2155 ( 2488 PWs) bands (ev): -38.0314 -38.0314 -17.0473 -17.0473 -16.5518 -16.5518 -16.5372 -16.5372 4.6449 4.6449 5.5721 5.5721 7.2811 7.2811 7.4430 7.4430 7.6958 7.6958 7.7424 7.7424 7.8437 7.8437 7.9061 7.9061 7.9418 7.9418 8.0062 8.0062 8.0832 8.0832 8.1809 8.1809 10.8914 10.8914 10.9138 10.9138 13.3011 13.3011 13.4637 13.4637 13.4826 13.4826 13.5381 13.5381 k = 0.5000 0.2887 0.2041 ( 2488 PWs) bands (ev): -38.0314 -38.0314 -17.0473 -17.0473 -16.5518 -16.5518 -16.5372 -16.5372 4.6441 4.6441 5.5708 5.5708 7.2814 7.2814 7.4436 7.4436 7.6968 7.6968 7.7419 7.7419 7.8452 7.8452 7.9048 7.9048 7.9414 7.9414 8.0055 8.0055 8.0830 8.0830 8.1804 8.1804 10.8953 10.8953 10.9168 10.9168 13.3065 13.3065 13.4819 13.4819 13.4866 13.4866 13.5117 13.5117 k = 0.5000 0.2887 0.2041 ( 2488 PWs) bands (ev): -38.0314 -38.0314 -17.0473 -17.0473 -16.5518 -16.5518 -16.5372 -16.5372 4.6441 4.6441 5.5708 5.5708 7.2814 7.2814 7.4436 7.4436 7.6968 7.6968 7.7419 7.7419 7.8452 7.8452 7.9048 7.9048 7.9414 7.9414 8.0055 8.0055 8.0830 8.0830 8.1804 8.1804 10.8953 10.8953 10.9168 10.9168 13.3065 13.3065 13.4819 13.4819 13.4866 13.4866 13.5117 13.5117 k = 0.4961 0.2864 0.2169 ( 2488 PWs) bands (ev): -38.0314 -38.0314 -17.0473 -17.0473 -16.5518 -16.5518 -16.5372 -16.5372 4.6448 4.6448 5.5720 5.5720 7.2811 7.2811 7.4430 7.4430 7.6959 7.6959 7.7424 7.7424 7.8438 7.8438 7.9060 7.9060 7.9418 7.9418 8.0062 8.0062 8.0832 8.0832 8.1809 8.1809 10.8917 10.8917 10.9139 10.9139 13.3014 13.3014 13.4644 13.4644 13.4826 13.4826 13.5371 13.5371 k = 0.4922 0.2842 0.2296 ( 2482 PWs) bands (ev): -38.0314 -38.0314 -17.0473 -17.0473 -16.5518 -16.5518 -16.5372 -16.5372 4.6472 4.6472 5.5759 5.5759 7.2803 7.2803 7.4416 7.4416 7.6933 7.6933 7.7438 7.7438 7.8399 7.8399 7.9092 7.9092 7.9431 7.9431 8.0081 8.0081 8.0837 8.0837 8.1823 8.1823 10.8780 10.8780 10.9083 10.9083 13.2855 13.2855 13.4397 13.4397 13.4773 13.4773 13.5796 13.5796 k = 0.4883 0.2819 0.2424 ( 2482 PWs) bands (ev): -38.0314 -38.0314 -17.0473 -17.0473 -16.5518 -16.5518 -16.5373 -16.5373 4.6511 4.6511 5.5822 5.5822 7.2788 7.2788 7.4392 7.4392 7.6893 7.6893 7.7458 7.7458 7.8344 7.8344 7.9134 7.9134 7.9453 7.9453 8.0111 8.0111 8.0845 8.0845 8.1846 8.1846 10.8515 10.8515 10.9031 10.9031 13.2577 13.2577 13.4187 13.4187 13.4688 13.4688 13.6315 13.6315 k = 0.4844 0.2797 0.2552 ( 2482 PWs) bands (ev): -38.0314 -38.0314 -17.0473 -17.0473 -16.5518 -16.5518 -16.5374 -16.5374 4.6565 4.6565 5.5911 5.5911 7.2764 7.2764 7.4363 7.4363 7.6844 7.6844 7.7478 7.7478 7.8283 7.8283 7.9178 7.9178 7.9484 7.9484 8.0153 8.0153 8.0857 8.0857 8.1877 8.1877 10.8138 10.8138 10.8978 10.8978 13.2173 13.2173 13.4026 13.4026 13.4573 13.4573 13.6926 13.6926 k = 0.4805 0.2774 0.2679 ( 2488 PWs) bands (ev): -38.0314 -38.0314 -17.0474 -17.0474 -16.5517 -16.5517 -16.5375 -16.5375 4.6635 4.6635 5.6024 5.6024 7.2726 7.2726 7.4331 7.4331 7.6787 7.6787 7.7497 7.7497 7.8222 7.8222 7.9219 7.9219 7.9523 7.9523 8.0204 8.0204 8.0873 8.0873 8.1918 8.1918 10.7664 10.7664 10.8917 10.8917 13.1648 13.1648 13.3915 13.3915 13.4433 13.4433 13.7627 13.7627 k = 0.4766 0.2751 0.2807 ( 2478 PWs) bands (ev): -38.0313 -38.0313 -17.0474 -17.0474 -16.5517 -16.5517 -16.5377 -16.5377 4.6720 4.6720 5.6162 5.6162 7.2672 7.2672 7.4302 7.4302 7.6726 7.6726 7.7511 7.7511 7.8166 7.8166 7.9258 7.9258 7.9569 7.9569 8.0264 8.0264 8.0895 8.0895 8.1968 8.1968 10.7109 10.7109 10.8847 10.8847 13.1019 13.1019 13.3846 13.3846 13.4270 13.4270 13.8410 13.8410 k = 0.4727 0.2729 0.2934 ( 2475 PWs) bands (ev): -38.0313 -38.0313 -17.0475 -17.0475 -16.5516 -16.5516 -16.5378 -16.5378 4.6820 4.6820 5.6324 5.6324 7.2596 7.2596 7.4280 7.4280 7.6661 7.6661 7.7518 7.7518 7.8118 7.8118 7.9294 7.9294 7.9618 7.9618 8.0328 8.0328 8.0923 8.0923 8.2026 8.2026 10.6484 10.6484 10.8765 10.8765 13.0306 13.0306 13.3807 13.3807 13.4091 13.4091 13.9267 13.9267 k = 0.4688 0.2706 0.3062 ( 2473 PWs) bands (ev): -38.0313 -38.0313 -17.0475 -17.0475 -16.5516 -16.5516 -16.5380 -16.5380 4.6935 4.6935 5.6509 5.6509 7.2494 7.2494 7.4269 7.4269 7.6592 7.6592 7.7517 7.7517 7.8082 7.8082 7.9329 7.9329 7.9669 7.9669 8.0395 8.0395 8.0958 8.0958 8.2092 8.2092 10.5803 10.5803 10.8671 10.8671 12.9528 12.9528 13.3787 13.3787 13.3903 13.3903 14.0184 14.0184 k = 0.4648 0.2684 0.3189 ( 2470 PWs) bands (ev): -38.0313 -38.0313 -17.0476 -17.0476 -16.5515 -16.5515 -16.5383 -16.5383 4.7065 4.7065 5.6716 5.6716 7.2364 7.2364 7.4272 7.4272 7.6521 7.6521 7.7507 7.7507 7.8058 7.8058 7.9364 7.9364 7.9721 7.9721 8.0461 8.0461 8.1001 8.1001 8.2167 8.2167 10.5075 10.5075 10.8566 10.8566 12.8700 12.8700 13.3679 13.3679 13.3814 13.3814 14.1143 14.1143 k = 0.4609 0.2661 0.3317 ( 2470 PWs) bands (ev): -38.0313 -38.0313 -17.0477 -17.0477 -16.5515 -16.5515 -16.5385 -16.5385 4.7210 4.7210 5.6946 5.6946 7.2204 7.2204 7.4290 7.4290 7.6447 7.6447 7.7489 7.7489 7.8047 7.8047 7.9398 7.9398 7.9775 7.9775 8.0524 8.0524 8.1053 8.1053 8.2250 8.2250 10.4309 10.4309 10.8449 10.8449 12.7836 12.7836 13.3477 13.3477 13.3829 13.3829 14.2101 14.2101 k = 0.4570 0.2639 0.3445 ( 2470 PWs) bands (ev): -38.0313 -38.0313 -17.0477 -17.0477 -16.5514 -16.5514 -16.5388 -16.5388 4.7369 4.7369 5.7196 5.7196 7.2016 7.2016 7.4325 7.4325 7.6371 7.6371 7.7463 7.7463 7.8049 7.8049 7.9430 7.9430 7.9832 7.9832 8.0584 8.0584 8.1112 8.1112 8.2340 8.2340 10.3514 10.3514 10.8321 10.8321 12.6948 12.6948 13.3270 13.3270 13.3862 13.3862 14.2848 14.2848 k = 0.4531 0.2616 0.3572 ( 2467 PWs) bands (ev): -38.0313 -38.0313 -17.0478 -17.0478 -16.5514 -16.5514 -16.5391 -16.5391 4.7541 4.7541 5.7467 5.7467 7.1800 7.1800 7.4374 7.4374 7.6293 7.6293 7.7431 7.7431 7.8063 7.8063 7.9461 7.9461 7.9891 7.9891 8.0640 8.0640 8.1177 8.1177 8.2437 8.2437 10.2697 10.2697 10.8182 10.8182 12.6047 12.6047 13.3066 13.3066 13.3907 13.3907 14.2977 14.2977 k = 0.4492 0.2594 0.3700 ( 2469 PWs) bands (ev): -38.0313 -38.0313 -17.0479 -17.0479 -16.5513 -16.5513 -16.5394 -16.5394 4.7727 4.7727 5.7756 5.7756 7.1559 7.1559 7.4436 7.4436 7.6213 7.6213 7.7396 7.7396 7.8087 7.8087 7.9489 7.9489 7.9954 7.9954 8.0695 8.0695 8.1246 8.1246 8.2541 8.2541 10.1864 10.1864 10.8031 10.8031 12.5141 12.5141 13.2867 13.2867 13.3963 13.3963 14.2850 14.2850 k = 0.4453 0.2571 0.3827 ( 2467 PWs) bands (ev): -38.0312 -38.0312 -17.0480 -17.0480 -16.5513 -16.5513 -16.5397 -16.5397 4.7927 4.7927 5.8062 5.8062 7.1296 7.1296 7.4510 7.4510 7.6133 7.6133 7.7359 7.7359 7.8119 7.8119 7.9513 7.9513 8.0021 8.0021 8.0748 8.0748 8.1318 8.1318 8.2652 8.2652 10.1021 10.1021 10.7871 10.7871 12.4238 12.4238 13.2677 13.2677 13.4029 13.4029 14.2661 14.2661 k = 0.4414 0.2548 0.3955 ( 2467 PWs) bands (ev): -38.0312 -38.0312 -17.0481 -17.0481 -16.5512 -16.5512 -16.5400 -16.5400 4.8138 4.8138 5.8384 5.8384 7.1011 7.1011 7.4594 7.4594 7.6051 7.6051 7.7320 7.7320 7.8158 7.8158 7.9535 7.9535 8.0091 8.0091 8.0803 8.0803 8.1390 8.1390 8.2767 8.2767 10.0174 10.0174 10.7700 10.7700 12.3345 12.3345 13.2499 13.2499 13.4103 13.4103 14.2438 14.2438 k = 0.4375 0.2526 0.4082 ( 2466 PWs) bands (ev): -38.0312 -38.0312 -17.0482 -17.0482 -16.5512 -16.5512 -16.5403 -16.5403 4.8362 4.8362 5.8720 5.8720 7.0707 7.0707 7.4685 7.4685 7.5970 7.5970 7.7282 7.7282 7.8204 7.8204 7.9554 7.9554 8.0164 8.0164 8.0861 8.0861 8.1460 8.1460 8.2888 8.2888 9.9328 9.9328 10.7520 10.7520 12.2467 12.2467 13.2335 13.2335 13.4186 13.4186 14.2191 14.2191 k = 0.4336 0.2503 0.4210 ( 2470 PWs) bands (ev): -38.0312 -38.0312 -17.0484 -17.0484 -16.5511 -16.5511 -16.5406 -16.5406 4.8596 4.8596 5.9067 5.9067 7.0385 7.0385 7.4782 7.4782 7.5891 7.5891 7.7244 7.7244 7.8254 7.8254 7.9569 7.9569 8.0241 8.0241 8.0923 8.0923 8.1528 8.1528 8.3011 8.3011 9.8487 9.8487 10.7331 10.7331 12.1609 12.1609 13.2186 13.2186 13.4277 13.4277 14.1921 14.1921 k = 0.4297 0.2481 0.4338 ( 2466 PWs) bands (ev): -38.0312 -38.0312 -17.0485 -17.0485 -16.5511 -16.5511 -16.5409 -16.5409 4.8841 4.8841 5.9424 5.9424 7.0049 7.0049 7.4881 7.4881 7.5815 7.5815 7.7208 7.7208 7.8309 7.8309 7.9583 7.9583 8.0320 8.0320 8.0990 8.0990 8.1594 8.1594 8.3137 8.3137 9.7658 9.7658 10.7135 10.7135 12.0775 12.0775 13.2056 13.2056 13.4377 13.4377 14.1634 14.1634 k = 0.4258 0.2458 0.4465 ( 2468 PWs) bands (ev): -38.0311 -38.0311 -17.0486 -17.0486 -16.5510 -16.5510 -16.5413 -16.5413 4.9095 4.9095 5.9787 5.9787 6.9699 6.9699 7.4979 7.4979 7.5745 7.5745 7.7174 7.7174 7.8366 7.8366 7.9596 7.9596 8.0402 8.0402 8.1062 8.1062 8.1656 8.1656 8.3263 8.3263 9.6844 9.6844 10.6930 10.6930 11.9968 11.9968 13.1944 13.1944 13.4483 13.4483 14.1330 14.1330 k = 0.4219 0.2436 0.4593 ( 2470 PWs) bands (ev): -38.0311 -38.0311 -17.0487 -17.0487 -16.5510 -16.5510 -16.5416 -16.5416 4.9357 4.9357 6.0152 6.0152 6.9339 6.9339 7.5070 7.5070 7.5687 7.5687 7.7142 7.7142 7.8424 7.8424 7.9607 7.9607 8.0487 8.0487 8.1140 8.1140 8.1715 8.1715 8.3387 8.3387 9.6051 9.6051 10.6718 10.6718 11.9191 11.9191 13.1853 13.1853 13.4598 13.4598 14.1012 14.1012 k = 0.4180 0.2413 0.4720 ( 2474 PWs) bands (ev): -38.0311 -38.0311 -17.0488 -17.0488 -16.5510 -16.5510 -16.5419 -16.5419 4.9625 4.9625 6.0517 6.0517 6.8972 6.8972 7.5141 7.5141 7.5652 7.5652 7.7114 7.7114 7.8482 7.8482 7.9618 7.9618 8.0576 8.0576 8.1224 8.1224 8.1772 8.1772 8.3509 8.3509 9.5285 9.5285 10.6501 10.6501 11.8446 11.8446 13.1783 13.1783 13.4719 13.4719 14.0681 14.0681 k = 0.4141 0.2391 0.4848 ( 2474 PWs) bands (ev): -38.0311 -38.0311 -17.0489 -17.0489 -16.5509 -16.5509 -16.5422 -16.5422 4.9898 4.9898 6.0874 6.0874 6.8601 6.8601 7.5179 7.5179 7.5654 7.5654 7.7090 7.7090 7.8538 7.8538 7.9630 7.9630 8.0670 8.0670 8.1313 8.1313 8.1827 8.1827 8.3624 8.3624 9.4552 9.4552 10.6278 10.6278 11.7734 11.7734 13.1734 13.1734 13.4847 13.4847 14.0339 14.0339 k = 0.4102 0.2368 0.4976 ( 2471 PWs) bands (ev): -38.0311 -38.0311 -17.0490 -17.0490 -16.5509 -16.5509 -16.5424 -16.5424 5.0174 5.0174 6.1219 6.1219 6.8233 6.8233 7.5177 7.5177 7.5697 7.5697 7.7071 7.7071 7.8589 7.8589 7.9644 7.9644 8.0769 8.0769 8.1406 8.1406 8.1881 8.1881 8.3731 8.3731 9.3859 9.3859 10.6052 10.6052 11.7056 11.7056 13.1708 13.1708 13.4981 13.4981 13.9986 13.9986 k = 0.4062 0.2345 0.5103 ( 2477 PWs) bands (ev): -38.0311 -38.0311 -17.0491 -17.0491 -16.5509 -16.5509 -16.5427 -16.5427 5.0449 5.0449 6.1542 6.1542 6.7875 6.7875 7.5147 7.5147 7.5768 7.5768 7.7059 7.7059 7.8634 7.8634 7.9659 7.9659 8.0876 8.0876 8.1501 8.1501 8.1937 8.1937 8.3826 8.3826 9.3213 9.3213 10.5821 10.5821 11.6412 11.6412 13.1704 13.1704 13.5120 13.5120 13.9620 13.9620 k = 0.4023 0.2323 0.5231 ( 2475 PWs) bands (ev): -38.0310 -38.0310 -17.0492 -17.0492 -16.5509 -16.5509 -16.5429 -16.5429 5.0722 5.0722 6.1832 6.1832 6.7539 6.7539 7.5105 7.5105 7.5850 7.5850 7.7056 7.7056 7.8671 7.8671 7.9675 7.9675 8.0990 8.0990 8.1598 8.1598 8.1996 8.1996 8.3907 8.3907 9.2621 9.2621 10.5588 10.5588 11.5803 11.5803 13.1722 13.1722 13.5263 13.5263 13.9244 13.9244 k = 0.3984 0.2300 0.5358 ( 2475 PWs) bands (ev): -38.0310 -38.0310 -17.0493 -17.0493 -16.5510 -16.5510 -16.5430 -16.5430 5.0989 5.0989 6.2076 6.2076 6.7237 6.7237 7.5058 7.5058 7.5932 7.5932 7.7063 7.7063 7.8698 7.8698 7.9693 7.9693 8.1112 8.1112 8.1694 8.1694 8.2063 8.2063 8.3970 8.3970 9.2092 9.2092 10.5353 10.5353 11.5228 11.5228 13.1764 13.1764 13.5407 13.5407 13.8858 13.8858 k = 0.3945 0.2278 0.5486 ( 2472 PWs) bands (ev): -38.0310 -38.0310 -17.0494 -17.0494 -16.5510 -16.5510 -16.5432 -16.5432 5.1245 5.1245 6.2255 6.2255 6.6989 6.6989 7.5014 7.5014 7.6006 7.6006 7.7084 7.7084 7.8716 7.8716 7.9711 7.9711 8.1239 8.1239 8.1787 8.1787 8.2138 8.2138 8.4014 8.4014 9.1634 9.1634 10.5117 10.5117 11.4687 11.4687 13.1827 13.1827 13.5549 13.5549 13.8466 13.8466 k = 0.3906 0.2255 0.5613 ( 2468 PWs) bands (ev): -38.0310 -38.0310 -17.0495 -17.0495 -16.5510 -16.5510 -16.5433 -16.5433 5.1484 5.1484 6.2355 6.2355 6.6813 6.6813 7.4975 7.4975 7.6067 7.6067 7.7118 7.7118 7.8723 7.8723 7.9726 7.9726 8.1368 8.1368 8.1878 8.1878 8.2225 8.2225 8.4040 8.4040 9.1254 9.1254 10.4881 10.4881 11.4178 11.4178 13.1913 13.1913 13.5682 13.5682 13.8071 13.8071 k = 0.3867 0.2233 0.5741 ( 2468 PWs) bands (ev): -38.0310 -38.0310 -17.0495 -17.0495 -16.5510 -16.5510 -16.5434 -16.5434 5.1700 5.1700 6.2362 6.2362 6.6725 6.6725 7.4944 7.4944 7.6112 7.6112 7.7167 7.7167 7.8720 7.8720 7.9737 7.9737 8.1490 8.1490 8.1971 8.1971 8.2321 8.2321 8.4051 8.4051 9.0956 9.0956 10.4646 10.4646 11.3701 11.3701 13.2020 13.2020 13.5797 13.5797 13.7676 13.7676 k = 0.3828 0.2210 0.5869 ( 2468 PWs) bands (ev): -38.0310 -38.0310 -17.0496 -17.0496 -16.5511 -16.5511 -16.5435 -16.5435 5.1885 5.1885 6.2281 6.2281 6.6727 6.6727 7.4922 7.4922 7.6141 7.6141 7.7228 7.7228 7.8710 7.8710 7.9742 7.9742 8.1596 8.1596 8.2071 8.2071 8.2420 8.2420 8.4061 8.4061 9.0744 9.0744 10.4412 10.4412 11.3254 11.3254 13.2149 13.2149 13.5879 13.5879 13.7283 13.7283 k = 0.3789 0.2188 0.5996 ( 2466 PWs) bands (ev): -38.0310 -38.0310 -17.0496 -17.0496 -16.5512 -16.5512 -16.5435 -16.5435 5.2030 5.2030 6.2128 6.2128 6.6810 6.6810 7.4910 7.4910 7.6155 7.6155 7.7299 7.7299 7.8693 7.8693 7.9740 7.9740 8.1676 8.1676 8.2181 8.2181 8.2515 8.2515 8.4089 8.4089 9.0617 9.0617 10.4180 10.4180 11.2836 11.2836 13.2297 13.2297 13.5909 13.5909 13.6896 13.6896 k = 0.3750 0.2165 0.6124 ( 2482 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5513 -16.5513 -16.5436 -16.5436 5.2123 5.2123 6.1929 6.1929 6.6957 6.6957 7.4909 7.4909 7.6156 7.6156 7.7374 7.7374 7.8670 7.8670 7.9727 7.9727 8.1726 8.1726 8.2290 8.2290 8.2601 8.2601 8.4157 8.4157 9.0570 9.0570 10.3951 10.3951 11.2444 11.2444 13.2464 13.2464 13.5873 13.5873 13.6516 13.6516 k = 0.6250-0.0722 0.4082 ( 2482 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5513 -16.5513 -16.5436 -16.5436 5.2123 5.2123 6.1929 6.1929 6.6957 6.6957 7.4909 7.4909 7.6156 7.6156 7.7374 7.7374 7.8670 7.8670 7.9727 7.9727 8.1726 8.1726 8.2290 8.2290 8.2601 8.2601 8.4157 8.4157 9.0570 9.0570 10.3951 10.3951 11.2444 11.2444 13.2464 13.2464 13.5873 13.5873 13.6516 13.6516 k = 0.6181-0.0842 0.4082 ( 2462 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5513 -16.5513 -16.5435 -16.5435 5.2214 5.2214 6.1564 6.1564 6.7269 6.7269 7.4919 7.4919 7.6141 7.6141 7.7515 7.7515 7.8627 7.8627 7.9695 7.9695 8.1754 8.1754 8.2430 8.2430 8.2766 8.2766 8.4437 8.4437 9.0559 9.0559 10.3551 10.3551 11.1780 11.1780 13.2767 13.2767 13.5733 13.5733 13.5889 13.5889 k = 0.6111-0.0962 0.4082 ( 2462 PWs) bands (ev): -38.0310 -38.0310 -17.0497 -17.0497 -16.5514 -16.5514 -16.5434 -16.5434 5.2264 5.2264 6.1219 6.1219 6.7579 6.7579 7.4930 7.4930 7.6115 7.6115 7.7659 7.7659 7.8583 7.8583 7.9653 7.9653 8.1698 8.1698 8.2496 8.2496 8.2989 8.2989 8.4897 8.4897 9.0548 9.0548 10.3157 10.3157 11.1131 11.1131 13.3051 13.3051 13.5221 13.5221 13.5679 13.5679 k = 0.6042-0.1083 0.4082 ( 2470 PWs) bands (ev): -38.0310 -38.0310 -17.0498 -17.0498 -16.5516 -16.5516 -16.5434 -16.5434 5.2281 5.2281 6.0895 6.0895 6.7883 6.7883 7.4943 7.4943 7.6083 7.6083 7.7800 7.7800 7.8539 7.8539 7.9606 7.9606 8.1565 8.1565 8.2555 8.2555 8.3241 8.3241 8.5490 8.5490 9.0539 9.0539 10.2773 10.2773 11.0493 11.0493 13.3315 13.3315 13.4634 13.4634 13.5589 13.5589 k = 0.5972-0.1203 0.4082 ( 2468 PWs) bands (ev): -38.0310 -38.0310 -17.0498 -17.0498 -16.5517 -16.5517 -16.5433 -16.5433 5.2271 5.2271 6.0591 6.0591 6.8173 6.8173 7.4957 7.4957 7.6048 7.6048 7.7933 7.7933 7.8500 7.8500 7.9557 7.9557 8.1382 8.1382 8.2628 8.2628 8.3502 8.3502 8.6183 8.6183 9.0532 9.0532 10.2397 10.2397 10.9865 10.9865 13.3559 13.3559 13.4079 13.4079 13.5514 13.5514 k = 0.5903-0.1323 0.4082 ( 2464 PWs) bands (ev): -38.0310 -38.0310 -17.0498 -17.0498 -16.5518 -16.5518 -16.5432 -16.5432 5.2241 5.2241 6.0309 6.0309 6.8447 6.8447 7.4974 7.4974 7.6012 7.6012 7.8053 7.8053 7.8465 7.8465 7.9507 7.9507 8.1175 8.1175 8.2709 8.2709 8.3765 8.3765 8.6955 8.6955 9.0527 9.0527 10.2033 10.2033 10.9241 10.9241 13.3542 13.3542 13.3800 13.3800 13.5451 13.5451 k = 0.5833-0.1443 0.4082 ( 2464 PWs) bands (ev): -38.0310 -38.0310 -17.0498 -17.0498 -16.5520 -16.5520 -16.5431 -16.5431 5.2196 5.2196 6.0047 6.0047 6.8700 6.8700 7.4991 7.4991 7.5976 7.5976 7.8153 7.8153 7.8442 7.8442 7.9457 7.9457 8.0962 8.0962 8.2792 8.2792 8.4026 8.4026 8.7789 8.7789 9.0526 9.0526 10.1681 10.1681 10.8618 10.8618 13.3059 13.3059 13.4003 13.4003 13.5398 13.5398 k = 0.5764-0.1564 0.4082 ( 2464 PWs) bands (ev): -38.0309 -38.0309 -17.0498 -17.0498 -16.5521 -16.5521 -16.5430 -16.5430 5.2140 5.2140 5.9806 5.9806 6.8932 6.8932 7.5010 7.5010 7.5940 7.5940 7.8217 7.8217 7.8444 7.8444 7.9409 7.9409 8.0752 8.0752 8.2873 8.2873 8.4283 8.4283 8.8669 8.8669 9.0534 9.0534 10.1342 10.1342 10.7991 10.7991 13.2606 13.2606 13.4194 13.4194 13.5354 13.5354 k = 0.5694-0.1684 0.4082 ( 2460 PWs) bands (ev): -38.0309 -38.0309 -17.0498 -17.0498 -16.5522 -16.5522 -16.5429 -16.5429 5.2079 5.2079 5.9585 5.9585 6.9143 6.9143 7.5031 7.5031 7.5905 7.5905 7.8238 7.8238 7.8477 7.8477 7.9365 7.9365 8.0552 8.0552 8.2950 8.2950 8.4535 8.4535 8.9560 8.9560 9.0577 9.0577 10.1020 10.1020 10.7356 10.7356 13.2190 13.2190 13.4366 13.4366 13.5318 13.5318 k = 0.5625-0.1804 0.4082 ( 2464 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5523 -16.5523 -16.5428 -16.5428 5.2014 5.2014 5.9386 5.9386 6.9331 6.9331 7.5053 7.5053 7.5871 7.5871 7.8231 7.8231 7.8525 7.8525 7.9324 7.9324 8.0369 8.0369 8.3023 8.3023 8.4774 8.4774 9.0238 9.0238 9.0866 9.0866 10.0716 10.0716 10.6709 10.6709 13.1810 13.1810 13.4521 13.4521 13.5289 13.5289 k = 0.5556-0.1925 0.4082 ( 2472 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5524 -16.5524 -16.5427 -16.5427 5.1950 5.1950 5.9208 5.9208 6.9496 6.9496 7.5075 7.5075 7.5839 7.5839 7.8215 7.8215 7.8567 7.8567 7.9288 7.9288 8.0205 8.0205 8.3088 8.3088 8.5002 8.5002 9.0389 9.0389 9.1708 9.1708 10.0433 10.0433 10.6045 10.6045 13.1468 13.1468 13.4658 13.4658 13.5266 13.5266 k = 0.5486-0.2045 0.4082 ( 2468 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5525 -16.5525 -16.5426 -16.5426 5.1888 5.1888 5.9050 5.9050 6.9641 6.9641 7.5098 7.5098 7.5809 7.5809 7.8199 7.8199 7.8594 7.8594 7.9258 7.9258 8.0065 8.0065 8.3148 8.3148 8.5214 8.5214 9.0417 9.0417 9.2692 9.2692 10.0173 10.0173 10.5360 10.5360 13.1165 13.1165 13.4776 13.4776 13.5249 13.5249 k = 0.5417-0.2165 0.4082 ( 2472 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5526 -16.5526 -16.5425 -16.5425 5.1831 5.1831 5.8914 5.8914 6.9765 6.9765 7.5120 7.5120 7.5780 7.5780 7.8185 7.8185 7.8603 7.8603 7.9233 7.9233 7.9951 7.9951 8.3200 8.3200 8.5408 8.5408 9.0425 9.0425 9.3705 9.3705 9.9939 9.9939 10.4650 10.4650 13.0901 13.0901 13.4874 13.4874 13.5233 13.5233 k = 0.5347-0.2285 0.4082 ( 2472 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5527 -16.5527 -16.5425 -16.5425 5.1780 5.1780 5.8799 5.8799 6.9869 6.9869 7.5143 7.5143 7.5754 7.5754 7.8175 7.8175 7.8595 7.8595 7.9212 7.9212 7.9863 7.9863 8.3244 8.3244 8.5579 8.5579 9.0427 9.0427 9.4725 9.4725 9.9734 9.9734 10.3912 10.3912 13.0677 13.0677 13.4940 13.4940 13.5085 13.5085 k = 0.5278-0.2406 0.4082 ( 2472 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5527 -16.5527 -16.5424 -16.5424 5.1737 5.1737 5.8704 5.8704 6.9953 6.9953 7.5164 7.5164 7.5730 7.5730 7.8169 7.8169 7.8575 7.8575 7.9195 7.9195 7.9800 7.9800 8.3281 8.3281 8.5725 8.5725 9.0428 9.0428 9.5740 9.5740 9.9562 9.9562 10.3143 10.3143 13.0494 13.0494 13.4801 13.4801 13.5036 13.5036 k = 0.5208-0.2526 0.4082 ( 2468 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5528 -16.5528 -16.5423 -16.5423 5.1702 5.1702 5.8631 5.8631 7.0019 7.0019 7.5182 7.5182 7.5710 7.5710 7.8167 7.8167 7.8548 7.8548 7.9182 7.9182 7.9758 7.9758 8.3309 8.3309 8.5842 8.5842 9.0428 9.0428 9.6741 9.6741 9.9426 9.9426 10.2345 10.2345 13.0350 13.0350 13.4598 13.4598 13.5071 13.5071 k = 0.5139-0.2646 0.4082 ( 2468 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5528 -16.5528 -16.5423 -16.5423 5.1677 5.1677 5.8578 5.8578 7.0065 7.0065 7.5197 7.5197 7.5695 7.5695 7.8168 7.8168 7.8522 7.8522 7.9172 7.9172 7.9732 7.9732 8.3330 8.3330 8.5928 8.5928 9.0427 9.0427 9.7715 9.7715 9.9327 9.9327 10.1519 10.1519 13.0248 13.0248 13.4444 13.4444 13.5094 13.5094 k = 0.5069-0.2766 0.4082 ( 2464 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5528 -16.5528 -16.5422 -16.5422 5.1661 5.1661 5.8547 5.8547 7.0093 7.0093 7.5206 7.5206 7.5685 7.5685 7.8170 7.8170 7.8503 7.8503 7.9166 7.9166 7.9718 7.9718 8.3342 8.3342 8.5981 8.5981 9.0426 9.0426 9.8632 9.8632 9.9272 9.9272 10.0689 10.0689 13.0186 13.0186 13.4348 13.4348 13.5106 13.5106 k = 0.5000-0.2887 0.4082 ( 2466 PWs) bands (ev): -38.0309 -38.0309 -17.0499 -17.0499 -16.5528 -16.5528 -16.5422 -16.5422 5.1656 5.1656 5.8536 5.8536 7.0102 7.0102 7.5210 7.5210 7.5682 7.5682 7.8171 7.8171 7.8496 7.8496 7.9163 7.9163 7.9713 7.9713 8.3346 8.3346 8.5999 8.5999 9.0426 9.0426 9.9152 9.9152 9.9338 9.9338 10.0115 10.0115 13.0166 13.0166 13.4315 13.4315 13.5109 13.5109 Writing output data file ScAlCu2.save init_run : 0.28s CPU 0.42s WALL ( 1 calls) electrons : 114.84s CPU 116.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 114.83s CPU 116.84s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.04s WALL ( 339 calls) cegterg : 101.56s CPU 103.15s WALL ( 344 calls) Called by sum_band: Called by *egterg: h_psi : 59.72s CPU 60.81s WALL ( 6311 calls) s_psi : 3.72s CPU 3.86s WALL ( 6311 calls) g_psi : 0.10s CPU 0.12s WALL ( 5628 calls) cdiaghg : 39.05s CPU 39.58s WALL ( 5967 calls) cegterg:over : 3.14s CPU 3.18s WALL ( 5628 calls) cegterg:upda : 2.31s CPU 2.29s WALL ( 5628 calls) cegterg:last : 1.23s CPU 1.26s WALL ( 1038 calls) cdiaghg:chol : 2.13s CPU 2.15s WALL ( 5967 calls) cdiaghg:inve : 1.36s CPU 1.34s WALL ( 5967 calls) cdiaghg:para : 2.28s CPU 2.34s WALL ( 11934 calls) Called by h_psi: h_psi:vloc : 51.72s CPU 52.80s WALL ( 6311 calls) h_psi:vnl : 7.88s CPU 7.90s WALL ( 6311 calls) add_vuspsi : 4.46s CPU 4.40s WALL ( 6311 calls) General routines calbec : 3.41s CPU 3.49s WALL ( 6311 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 48.26s CPU 49.23s WALL ( 657548 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.13s WALL ( 678 calls) Parallel routines fft_scatter : 16.96s CPU 17.35s WALL ( 657571 calls) PWSCF : 2m 7.01s CPU 2m19.80s WALL This run was terminated on: 18:39:32 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=