Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:17:33 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: ./FeSnRu2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 42 42 12 1079 1079 165 Max 44 44 13 1084 1084 168 Sum 1519 1519 433 38949 38949 5961 bravais-lattice index = 14 lattice parameter (alat) = 8.2873 a.u. unit-cell volume = 402.4684 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.287348 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 Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 Ru read from file: /users/gautes/Pseudo/Ru.rel-pbe-oncvpsp.UPF MD5 check sum: 58833c0d2965a9b0fe5de673113ce18e Pseudo is Norm-conserving, Zval = 16.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1584 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 PseudoPot. # 3 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Ru 16.00 101.07000 Ru( 1.00) Sn 14.00 118.71000 Sn( 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 0.0288461 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 0.0961538 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 0.2211538 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 0.0454545), 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 0.0795455 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 0.1704546 0.1704546), 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 0.3295455 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 0.4545455 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 0.5898437), 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 0.4570313 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 0.4335938 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 0.4023438 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: 38949 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 282, 64) NL pseudopotentials 0.29 Mb ( 141, 136) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1084) G-vector shells 0.00 Mb ( 323) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.10 Mb ( 282, 256) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.27 Mb ( 136, 2, 64) The potential is recalculated from file : ./FeSnRu2.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.1 secs Computing kpt #: 5 total cpu time spent up to now is 6.8 secs Computing kpt #: 6 total cpu time spent up to now is 7.6 secs Computing kpt #: 7 total cpu time spent up to now is 8.4 secs Computing kpt #: 8 total cpu time spent up to now is 9.1 secs Computing kpt #: 9 total cpu time spent up to now is 9.8 secs Computing kpt #: 10 total cpu time spent up to now is 10.5 secs Computing kpt #: 11 total cpu time spent up to now is 11.2 secs Computing kpt #: 12 total cpu time spent up to now is 11.9 secs Computing kpt #: 13 total cpu time spent up to now is 12.5 secs Computing kpt #: 14 total cpu time spent up to now is 13.2 secs Computing kpt #: 15 total cpu time spent up to now is 13.8 secs Computing kpt #: 16 total cpu time spent up to now is 14.4 secs Computing kpt #: 17 total cpu time spent up to now is 15.0 secs Computing kpt #: 18 total cpu time spent up to now is 15.6 secs Computing kpt #: 19 total cpu time spent up to now is 16.2 secs Computing kpt #: 20 total cpu time spent up to now is 16.8 secs Computing kpt #: 21 total cpu time spent up to now is 17.3 secs Computing kpt #: 22 total cpu time spent up to now is 17.9 secs Computing kpt #: 23 total cpu time spent up to now is 18.5 secs Computing kpt #: 24 total cpu time spent up to now is 19.0 secs Computing kpt #: 25 total cpu time spent up to now is 19.6 secs Computing kpt #: 26 total cpu time spent up to now is 20.1 secs Computing kpt #: 27 total cpu time spent up to now is 20.7 secs Computing kpt #: 28 total cpu time spent up to now is 21.2 secs Computing kpt #: 29 total cpu time spent up to now is 21.7 secs Computing kpt #: 30 total cpu time spent up to now is 22.3 secs Computing kpt #: 31 total cpu time spent up to now is 22.8 secs Computing kpt #: 32 total cpu time spent up to now is 23.3 secs Computing kpt #: 33 total cpu time spent up to now is 23.8 secs Computing kpt #: 34 total cpu time spent up to now is 24.3 secs Computing kpt #: 35 total cpu time spent up to now is 24.8 secs Computing kpt #: 36 total cpu time spent up to now is 25.3 secs Computing kpt #: 37 total cpu time spent up to now is 25.8 secs Computing kpt #: 38 total cpu time spent up to now is 26.3 secs Computing kpt #: 39 total cpu time spent up to now is 26.8 secs Computing kpt #: 40 total cpu time spent up to now is 27.3 secs Computing kpt #: 41 total cpu time spent up to now is 27.8 secs Computing kpt #: 42 total cpu time spent up to now is 28.3 secs Computing kpt #: 43 total cpu time spent up to now is 28.7 secs Computing kpt #: 44 total cpu time spent up to now is 29.2 secs Computing kpt #: 45 total cpu time spent up to now is 29.7 secs Computing kpt #: 46 total cpu time spent up to now is 30.1 secs Computing kpt #: 47 total cpu time spent up to now is 30.6 secs Computing kpt #: 48 total cpu time spent up to now is 31.0 secs Computing kpt #: 49 total cpu time spent up to now is 31.5 secs Computing kpt #: 50 total cpu time spent up to now is 31.9 secs Computing kpt #: 51 total cpu time spent up to now is 32.3 secs Computing kpt #: 52 total cpu time spent up to now is 32.8 secs Computing kpt #: 53 total cpu time spent up to now is 33.2 secs Computing kpt #: 54 total cpu time spent up to now is 33.7 secs Computing kpt #: 55 total cpu time spent up to now is 34.1 secs Computing kpt #: 56 total cpu time spent up to now is 34.6 secs Computing kpt #: 57 total cpu time spent up to now is 35.0 secs Computing kpt #: 58 total cpu time spent up to now is 35.5 secs Computing kpt #: 59 total cpu time spent up to now is 35.9 secs Computing kpt #: 60 total cpu time spent up to now is 36.4 secs Computing kpt #: 61 total cpu time spent up to now is 36.9 secs Computing kpt #: 62 total cpu time spent up to now is 37.4 secs Computing kpt #: 63 total cpu time spent up to now is 38.1 secs Computing kpt #: 64 total cpu time spent up to now is 38.7 secs Computing kpt #: 65 total cpu time spent up to now is 39.3 secs Computing kpt #: 66 total cpu time spent up to now is 39.7 secs Computing kpt #: 67 total cpu time spent up to now is 40.2 secs Computing kpt #: 68 total cpu time spent up to now is 40.6 secs Computing kpt #: 69 total cpu time spent up to now is 41.1 secs Computing kpt #: 70 total cpu time spent up to now is 41.5 secs Computing kpt #: 71 total cpu time spent up to now is 42.0 secs Computing kpt #: 72 total cpu time spent up to now is 42.5 secs Computing kpt #: 73 total cpu time spent up to now is 42.9 secs Computing kpt #: 74 total cpu time spent up to now is 43.4 secs Computing kpt #: 75 total cpu time spent up to now is 43.8 secs Computing kpt #: 76 total cpu time spent up to now is 44.3 secs Computing kpt #: 77 total cpu time spent up to now is 44.7 secs Computing kpt #: 78 total cpu time spent up to now is 45.2 secs Computing kpt #: 79 total cpu time spent up to now is 45.6 secs Computing kpt #: 80 total cpu time spent up to now is 46.0 secs Computing kpt #: 81 total cpu time spent up to now is 46.5 secs Computing kpt #: 82 total cpu time spent up to now is 46.9 secs Computing kpt #: 83 total cpu time spent up to now is 47.4 secs Computing kpt #: 84 total cpu time spent up to now is 47.8 secs Computing kpt #: 85 total cpu time spent up to now is 48.3 secs Computing kpt #: 86 total cpu time spent up to now is 48.7 secs Computing kpt #: 87 total cpu time spent up to now is 49.2 secs Computing kpt #: 88 total cpu time spent up to now is 49.6 secs Computing kpt #: 89 total cpu time spent up to now is 50.1 secs Computing kpt #: 90 total cpu time spent up to now is 50.6 secs Computing kpt #: 91 total cpu time spent up to now is 51.0 secs Computing kpt #: 92 total cpu time spent up to now is 51.5 secs Computing kpt #: 93 total cpu time spent up to now is 52.0 secs Computing kpt #: 94 total cpu time spent up to now is 52.4 secs Computing kpt #: 95 total cpu time spent up to now is 52.9 secs Computing kpt #: 96 total cpu time spent up to now is 53.3 secs Computing kpt #: 97 total cpu time spent up to now is 53.8 secs Computing kpt #: 98 total cpu time spent up to now is 54.2 secs Computing kpt #: 99 total cpu time spent up to now is 54.7 secs Computing kpt #: 100 total cpu time spent up to now is 55.1 secs Computing kpt #: 101 total cpu time spent up to now is 55.6 secs Computing kpt #: 102 total cpu time spent up to now is 56.0 secs Computing kpt #: 103 total cpu time spent up to now is 56.5 secs Computing kpt #: 104 total cpu time spent up to now is 57.0 secs Computing kpt #: 105 total cpu time spent up to now is 57.5 secs Computing kpt #: 106 total cpu time spent up to now is 57.9 secs Computing kpt #: 107 total cpu time spent up to now is 58.4 secs Computing kpt #: 108 total cpu time spent up to now is 58.9 secs Computing kpt #: 109 total cpu time spent up to now is 59.4 secs Computing kpt #: 110 total cpu time spent up to now is 59.9 secs Computing kpt #: 111 total cpu time spent up to now is 60.3 secs Computing kpt #: 112 total cpu time spent up to now is 60.8 secs Computing kpt #: 113 total cpu time spent up to now is 61.3 secs Computing kpt #: 114 total cpu time spent up to now is 61.8 secs Computing kpt #: 115 total cpu time spent up to now is 62.3 secs Computing kpt #: 116 total cpu time spent up to now is 62.8 secs Computing kpt #: 117 total cpu time spent up to now is 63.3 secs Computing kpt #: 118 total cpu time spent up to now is 63.8 secs Computing kpt #: 119 total cpu time spent up to now is 64.3 secs Computing kpt #: 120 total cpu time spent up to now is 64.8 secs Computing kpt #: 121 total cpu time spent up to now is 65.4 secs Computing kpt #: 122 total cpu time spent up to now is 65.9 secs Computing kpt #: 123 total cpu time spent up to now is 66.4 secs Computing kpt #: 124 total cpu time spent up to now is 66.9 secs Computing kpt #: 125 total cpu time spent up to now is 67.4 secs Computing kpt #: 126 total cpu time spent up to now is 68.0 secs Computing kpt #: 127 total cpu time spent up to now is 68.5 secs Computing kpt #: 128 total cpu time spent up to now is 69.2 secs Computing kpt #: 129 total cpu time spent up to now is 69.9 secs Computing kpt #: 130 total cpu time spent up to now is 70.5 secs Computing kpt #: 131 total cpu time spent up to now is 71.1 secs Computing kpt #: 132 total cpu time spent up to now is 71.7 secs Computing kpt #: 133 total cpu time spent up to now is 72.3 secs Computing kpt #: 134 total cpu time spent up to now is 72.9 secs Computing kpt #: 135 total cpu time spent up to now is 73.5 secs Computing kpt #: 136 total cpu time spent up to now is 74.2 secs Computing kpt #: 137 total cpu time spent up to now is 74.8 secs Computing kpt #: 138 total cpu time spent up to now is 75.4 secs Computing kpt #: 139 total cpu time spent up to now is 76.1 secs Computing kpt #: 140 total cpu time spent up to now is 76.7 secs Computing kpt #: 141 total cpu time spent up to now is 77.3 secs Computing kpt #: 142 total cpu time spent up to now is 77.9 secs Computing kpt #: 143 total cpu time spent up to now is 78.6 secs Computing kpt #: 144 total cpu time spent up to now is 79.3 secs Computing kpt #: 145 total cpu time spent up to now is 80.0 secs Computing kpt #: 146 total cpu time spent up to now is 80.7 secs Computing kpt #: 147 total cpu time spent up to now is 81.4 secs Computing kpt #: 148 total cpu time spent up to now is 82.2 secs Computing kpt #: 149 total cpu time spent up to now is 83.1 secs Computing kpt #: 150 total cpu time spent up to now is 84.5 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 86.4 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.3 secs Computing kpt #: 153 total cpu time spent up to now is 88.8 secs Computing kpt #: 154 total cpu time spent up to now is 89.3 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 91.1 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.0 secs Computing kpt #: 157 total cpu time spent up to now is 94.2 secs Computing kpt #: 158 total cpu time spent up to now is 95.2 secs Computing kpt #: 159 total cpu time spent up to now is 95.9 secs Computing kpt #: 160 total cpu time spent up to now is 96.7 secs Computing kpt #: 161 total cpu time spent up to now is 97.3 secs Computing kpt #: 162 total cpu time spent up to now is 98.0 secs Computing kpt #: 163 total cpu time spent up to now is 98.7 secs Computing kpt #: 164 total cpu time spent up to now is 99.3 secs Computing kpt #: 165 total cpu time spent up to now is 99.9 secs Computing kpt #: 166 total cpu time spent up to now is 100.5 secs Computing kpt #: 167 total cpu time spent up to now is 101.1 secs Computing kpt #: 168 total cpu time spent up to now is 101.7 secs Computing kpt #: 169 total cpu time spent up to now is 102.3 secs Computing kpt #: 170 total cpu time spent up to now is 102.9 secs Computing kpt #: 171 total cpu time spent up to now is 103.5 secs Computing kpt #: 172 total cpu time spent up to now is 104.1 secs Computing kpt #: 173 total cpu time spent up to now is 104.7 secs Computing kpt #: 174 total cpu time spent up to now is 105.3 secs Computing kpt #: 175 total cpu time spent up to now is 105.8 secs Computing kpt #: 176 total cpu time spent up to now is 106.4 secs Computing kpt #: 177 total cpu time spent up to now is 107.0 secs Computing kpt #: 178 total cpu time spent up to now is 107.5 secs Computing kpt #: 179 total cpu time spent up to now is 108.1 secs Computing kpt #: 180 total cpu time spent up to now is 108.7 secs Computing kpt #: 181 total cpu time spent up to now is 109.3 secs Computing kpt #: 182 total cpu time spent up to now is 109.8 secs Computing kpt #: 183 total cpu time spent up to now is 110.4 secs Computing kpt #: 184 total cpu time spent up to now is 111.0 secs Computing kpt #: 185 total cpu time spent up to now is 111.5 secs Computing kpt #: 186 total cpu time spent up to now is 112.1 secs Computing kpt #: 187 total cpu time spent up to now is 112.6 secs Computing kpt #: 188 total cpu time spent up to now is 113.2 secs Computing kpt #: 189 total cpu time spent up to now is 113.8 secs Computing kpt #: 190 total cpu time spent up to now is 114.5 secs Computing kpt #: 191 total cpu time spent up to now is 115.1 secs Computing kpt #: 192 total cpu time spent up to now is 115.7 secs Computing kpt #: 193 total cpu time spent up to now is 116.3 secs Computing kpt #: 194 total cpu time spent up to now is 116.9 secs Computing kpt #: 195 total cpu time spent up to now is 117.5 secs Computing kpt #: 196 total cpu time spent up to now is 118.0 secs Computing kpt #: 197 total cpu time spent up to now is 118.6 secs Computing kpt #: 198 total cpu time spent up to now is 119.1 secs Computing kpt #: 199 total cpu time spent up to now is 119.7 secs Computing kpt #: 200 total cpu time spent up to now is 120.3 secs Computing kpt #: 201 total cpu time spent up to now is 121.0 secs Computing kpt #: 202 total cpu time spent up to now is 121.6 secs Computing kpt #: 203 total cpu time spent up to now is 122.1 secs Computing kpt #: 204 total cpu time spent up to now is 122.7 secs Computing kpt #: 205 total cpu time spent up to now is 123.2 secs Computing kpt #: 206 total cpu time spent up to now is 123.8 secs Computing kpt #: 207 total cpu time spent up to now is 124.3 secs Computing kpt #: 208 total cpu time spent up to now is 124.8 secs Computing kpt #: 209 total cpu time spent up to now is 125.4 secs Computing kpt #: 210 total cpu time spent up to now is 125.9 secs Computing kpt #: 211 total cpu time spent up to now is 126.4 secs Computing kpt #: 212 total cpu time spent up to now is 126.9 secs Computing kpt #: 213 total cpu time spent up to now is 127.5 secs Computing kpt #: 214 total cpu time spent up to now is 128.0 secs Computing kpt #: 215 total cpu time spent up to now is 128.5 secs Computing kpt #: 216 total cpu time spent up to now is 129.0 secs Computing kpt #: 217 total cpu time spent up to now is 129.5 secs Computing kpt #: 218 total cpu time spent up to now is 130.0 secs Computing kpt #: 219 total cpu time spent up to now is 130.5 secs Computing kpt #: 220 total cpu time spent up to now is 131.0 secs Computing kpt #: 221 total cpu time spent up to now is 131.4 secs Computing kpt #: 222 total cpu time spent up to now is 131.9 secs Computing kpt #: 223 total cpu time spent up to now is 132.4 secs Computing kpt #: 224 total cpu time spent up to now is 132.9 secs Computing kpt #: 225 total cpu time spent up to now is 133.4 secs Computing kpt #: 226 total cpu time spent up to now is 133.9 secs Computing kpt #: 227 total cpu time spent up to now is 134.3 secs Computing kpt #: 228 total cpu time spent up to now is 134.8 secs Computing kpt #: 229 total cpu time spent up to now is 135.2 secs Computing kpt #: 230 total cpu time spent up to now is 135.7 secs Computing kpt #: 231 total cpu time spent up to now is 136.1 secs Computing kpt #: 232 total cpu time spent up to now is 136.6 secs Computing kpt #: 233 total cpu time spent up to now is 137.0 secs Computing kpt #: 234 total cpu time spent up to now is 137.5 secs Computing kpt #: 235 total cpu time spent up to now is 138.0 secs Computing kpt #: 236 total cpu time spent up to now is 138.4 secs Computing kpt #: 237 total cpu time spent up to now is 138.9 secs Computing kpt #: 238 total cpu time spent up to now is 139.4 secs Computing kpt #: 239 total cpu time spent up to now is 139.8 secs Computing kpt #: 240 total cpu time spent up to now is 140.3 secs Computing kpt #: 241 total cpu time spent up to now is 140.8 secs Computing kpt #: 242 total cpu time spent up to now is 141.2 secs Computing kpt #: 243 total cpu time spent up to now is 141.7 secs Computing kpt #: 244 total cpu time spent up to now is 142.1 secs Computing kpt #: 245 total cpu time spent up to now is 142.6 secs Computing kpt #: 246 total cpu time spent up to now is 143.0 secs Computing kpt #: 247 total cpu time spent up to now is 143.5 secs Computing kpt #: 248 total cpu time spent up to now is 143.9 secs Computing kpt #: 249 total cpu time spent up to now is 144.4 secs Computing kpt #: 250 total cpu time spent up to now is 144.8 secs Computing kpt #: 251 total cpu time spent up to now is 145.2 secs Computing kpt #: 252 total cpu time spent up to now is 145.7 secs Computing kpt #: 253 total cpu time spent up to now is 146.1 secs Computing kpt #: 254 total cpu time spent up to now is 146.6 secs Computing kpt #: 255 total cpu time spent up to now is 147.0 secs Computing kpt #: 256 total cpu time spent up to now is 147.4 secs Computing kpt #: 257 total cpu time spent up to now is 147.9 secs Computing kpt #: 258 total cpu time spent up to now is 148.3 secs Computing kpt #: 259 total cpu time spent up to now is 148.8 secs Computing kpt #: 260 total cpu time spent up to now is 149.3 secs Computing kpt #: 261 total cpu time spent up to now is 149.7 secs Computing kpt #: 262 total cpu time spent up to now is 150.2 secs Computing kpt #: 263 total cpu time spent up to now is 150.7 secs Computing kpt #: 264 total cpu time spent up to now is 151.1 secs Computing kpt #: 265 total cpu time spent up to now is 151.6 secs Computing kpt #: 266 total cpu time spent up to now is 152.1 secs Computing kpt #: 267 total cpu time spent up to now is 152.6 secs Computing kpt #: 268 total cpu time spent up to now is 153.1 secs Computing kpt #: 269 total cpu time spent up to now is 153.6 secs Computing kpt #: 270 total cpu time spent up to now is 154.0 secs Computing kpt #: 271 total cpu time spent up to now is 154.5 secs Computing kpt #: 272 total cpu time spent up to now is 155.1 secs Computing kpt #: 273 total cpu time spent up to now is 155.6 secs Computing kpt #: 274 total cpu time spent up to now is 156.1 secs Computing kpt #: 275 total cpu time spent up to now is 156.6 secs Computing kpt #: 276 total cpu time spent up to now is 157.1 secs Computing kpt #: 277 total cpu time spent up to now is 157.6 secs Computing kpt #: 278 total cpu time spent up to now is 158.2 secs Computing kpt #: 279 total cpu time spent up to now is 158.7 secs Computing kpt #: 280 total cpu time spent up to now is 159.2 secs Computing kpt #: 281 total cpu time spent up to now is 159.7 secs Computing kpt #: 282 total cpu time spent up to now is 160.3 secs Computing kpt #: 283 total cpu time spent up to now is 160.8 secs Computing kpt #: 284 total cpu time spent up to now is 161.5 secs Computing kpt #: 285 total cpu time spent up to now is 162.1 secs Computing kpt #: 286 total cpu time spent up to now is 162.6 secs Computing kpt #: 287 total cpu time spent up to now is 163.2 secs Computing kpt #: 288 total cpu time spent up to now is 163.7 secs Computing kpt #: 289 total cpu time spent up to now is 164.3 secs Computing kpt #: 290 total cpu time spent up to now is 164.9 secs Computing kpt #: 291 total cpu time spent up to now is 165.4 secs Computing kpt #: 292 total cpu time spent up to now is 166.0 secs Computing kpt #: 293 total cpu time spent up to now is 166.5 secs Computing kpt #: 294 total cpu time spent up to now is 167.1 secs Computing kpt #: 295 total cpu time spent up to now is 167.6 secs Computing kpt #: 296 total cpu time spent up to now is 168.2 secs Computing kpt #: 297 total cpu time spent up to now is 168.7 secs Computing kpt #: 298 total cpu time spent up to now is 169.2 secs Computing kpt #: 299 total cpu time spent up to now is 169.8 secs Computing kpt #: 300 total cpu time spent up to now is 170.3 secs Computing kpt #: 301 total cpu time spent up to now is 170.8 secs Computing kpt #: 302 total cpu time spent up to now is 171.3 secs Computing kpt #: 303 total cpu time spent up to now is 171.9 secs Computing kpt #: 304 total cpu time spent up to now is 172.4 secs Computing kpt #: 305 total cpu time spent up to now is 172.9 secs Computing kpt #: 306 total cpu time spent up to now is 173.4 secs Computing kpt #: 307 total cpu time spent up to now is 173.9 secs Computing kpt #: 308 total cpu time spent up to now is 174.4 secs Computing kpt #: 309 total cpu time spent up to now is 174.9 secs Computing kpt #: 310 total cpu time spent up to now is 175.3 secs Computing kpt #: 311 total cpu time spent up to now is 175.8 secs Computing kpt #: 312 total cpu time spent up to now is 176.3 secs Computing kpt #: 313 total cpu time spent up to now is 176.8 secs Computing kpt #: 314 total cpu time spent up to now is 177.3 secs Computing kpt #: 315 total cpu time spent up to now is 177.7 secs Computing kpt #: 316 total cpu time spent up to now is 178.2 secs Computing kpt #: 317 total cpu time spent up to now is 178.7 secs Computing kpt #: 318 total cpu time spent up to now is 179.1 secs Computing kpt #: 319 total cpu time spent up to now is 179.6 secs Computing kpt #: 320 total cpu time spent up to now is 180.0 secs Computing kpt #: 321 total cpu time spent up to now is 180.5 secs Computing kpt #: 322 total cpu time spent up to now is 180.9 secs Computing kpt #: 323 total cpu time spent up to now is 181.4 secs Computing kpt #: 324 total cpu time spent up to now is 181.8 secs Computing kpt #: 325 total cpu time spent up to now is 182.3 secs Computing kpt #: 326 total cpu time spent up to now is 182.7 secs Computing kpt #: 327 total cpu time spent up to now is 183.2 secs Computing kpt #: 328 total cpu time spent up to now is 183.6 secs Computing kpt #: 329 total cpu time spent up to now is 184.1 secs Computing kpt #: 330 total cpu time spent up to now is 184.5 secs Computing kpt #: 331 total cpu time spent up to now is 185.0 secs Computing kpt #: 332 total cpu time spent up to now is 185.5 secs Computing kpt #: 333 total cpu time spent up to now is 185.9 secs Computing kpt #: 334 total cpu time spent up to now is 186.4 secs Computing kpt #: 335 total cpu time spent up to now is 186.8 secs Computing kpt #: 336 total cpu time spent up to now is 187.3 secs Computing kpt #: 337 total cpu time spent up to now is 187.7 secs Computing kpt #: 338 total cpu time spent up to now is 188.1 secs Computing kpt #: 339 total cpu time spent up to now is 188.6 secs ethr = 1.85E-08, avg # of iterations = 16.7 total cpu time spent up to now is 188.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4909 PWs) bands (ev): -52.9120 -52.9120 -52.8813 -52.8813 -25.5515 -25.5515 -25.4518 -25.4518 -22.3956 -22.3956 -22.3956 -22.3956 -22.2645 -22.2645 -22.2645 -22.2645 -3.2877 -3.2877 -3.2877 -3.2877 -2.2861 -2.2861 -2.2525 -2.2525 -2.2525 -2.2525 8.0975 8.0975 13.6480 13.6480 13.7467 13.7467 13.7467 13.7467 14.4524 14.4524 14.4524 14.4524 16.6994 16.6994 16.6994 16.6994 16.7642 16.7642 18.5120 18.5120 18.5120 18.5120 18.5993 18.5993 18.5993 18.5993 18.6609 18.6609 19.0791 19.0791 19.0791 19.0791 20.7267 20.7267 23.3479 23.3479 24.0250 24.0250 k = 0.0098-0.0057 0.0080 ( 4909 PWs) bands (ev): -52.9120 -52.9120 -52.8814 -52.8814 -25.5515 -25.5515 -25.4518 -25.4518 -22.3956 -22.3956 -22.3955 -22.3955 -22.2646 -22.2646 -22.2645 -22.2645 -3.2877 -3.2877 -3.2877 -3.2877 -2.2861 -2.2861 -2.2525 -2.2525 -2.2525 -2.2525 8.0990 8.0990 13.6478 13.6478 13.7451 13.7451 13.7479 13.7479 14.4530 14.4530 14.4543 14.4543 16.6990 16.6990 16.6995 16.6995 16.7640 16.7640 18.5089 18.5089 18.5093 18.5093 18.5984 18.5984 18.5991 18.5991 18.6571 18.6571 19.0790 19.0790 19.0797 19.0797 20.7297 20.7297 23.3480 23.3480 24.0218 24.0221 k = 0.0196-0.0113 0.0160 ( 4909 PWs) bands (ev): -52.9120 -52.9120 -52.8814 -52.8814 -25.5514 -25.5514 -25.4519 -25.4519 -22.3957 -22.3957 -22.3952 -22.3952 -22.2649 -22.2649 -22.2644 -22.2644 -3.2877 -3.2877 -3.2877 -3.2877 -2.2862 -2.2862 -2.2525 -2.2525 -2.2525 -2.2525 8.1037 8.1037 13.6467 13.6467 13.7410 13.7410 13.7516 13.7516 14.4547 14.4547 14.4600 14.4600 16.6976 16.6976 16.6998 16.6998 16.7633 16.7633 18.4996 18.4996 18.5011 18.5011 18.5958 18.5958 18.5988 18.5988 18.6459 18.6459 19.0788 19.0788 19.0814 19.0814 20.7387 20.7387 23.3479 23.3479 24.0106 24.0111 k = 0.0294-0.0170 0.0240 ( 4909 PWs) bands (ev): -52.9119 -52.9119 -52.8814 -52.8814 -25.5513 -25.5513 -25.4521 -25.4521 -22.3957 -22.3957 -22.3947 -22.3947 -22.2654 -22.2654 -22.2644 -22.2644 -3.2877 -3.2877 -3.2877 -3.2877 -2.2862 -2.2862 -2.2525 -2.2525 -2.2525 -2.2525 8.1115 8.1115 13.6432 13.6432 13.7360 13.7360 13.7577 13.7577 14.4576 14.4576 14.4693 14.4693 16.6952 16.6952 16.7004 16.7004 16.7624 16.7624 18.4841 18.4841 18.4872 18.4872 18.5916 18.5916 18.5984 18.5984 18.6277 18.6277 19.0784 19.0784 19.0838 19.0838 20.7536 20.7536 23.3469 23.3469 23.9921 23.9927 k = 0.0392-0.0226 0.0320 ( 4909 PWs) bands (ev): -52.9119 -52.9119 -52.8815 -52.8815 -25.5510 -25.5510 -25.4523 -25.4523 -22.3958 -22.3958 -22.3941 -22.3941 -22.2661 -22.2661 -22.2643 -22.2643 -3.2878 -3.2878 -3.2877 -3.2877 -2.2862 -2.2862 -2.2525 -2.2525 -2.2525 -2.2525 8.1223 8.1223 13.6347 13.6347 13.7332 13.7332 13.7662 13.7662 14.4616 14.4616 14.4818 14.4818 16.6914 16.6914 16.7012 16.7012 16.7613 16.7613 18.4625 18.4625 18.4677 18.4677 18.5860 18.5860 18.5985 18.5985 18.6033 18.6033 19.0778 19.0778 19.0865 19.0865 20.7741 20.7741 23.3434 23.3434 23.9619 23.9620 k = 0.0490-0.0283 0.0400 ( 4909 PWs) bands (ev): -52.9118 -52.9118 -52.8816 -52.8816 -25.5508 -25.5508 -25.4526 -25.4526 -22.3959 -22.3959 -22.3932 -22.3932 -22.2670 -22.2670 -22.2643 -22.2643 -3.2878 -3.2878 -3.2877 -3.2877 -2.2863 -2.2863 -2.2525 -2.2525 -2.2525 -2.2525 8.1363 8.1363 13.6193 13.6193 13.7349 13.7349 13.7771 13.7771 14.4668 14.4668 14.4972 14.4972 16.6861 16.6861 16.7022 16.7022 16.7602 16.7602 18.4351 18.4351 18.4424 18.4424 18.5732 18.5732 18.5792 18.5792 18.5989 18.5989 19.0771 19.0771 19.0890 19.0890 20.7999 20.7999 23.3357 23.3357 23.9153 23.9154 k = 0.0588-0.0340 0.0480 ( 4897 PWs) bands (ev): -52.9117 -52.9117 -52.8817 -52.8817 -25.5503 -25.5503 -25.4530 -25.4530 -22.3960 -22.3960 -22.3921 -22.3921 -22.2681 -22.2681 -22.2641 -22.2641 -3.2879 -3.2879 -3.2877 -3.2877 -2.2864 -2.2864 -2.2525 -2.2525 -2.2524 -2.2524 8.1532 8.1532 13.5966 13.5966 13.7420 13.7420 13.7905 13.7905 14.4731 14.4731 14.5150 14.5150 16.6789 16.6789 16.7035 16.7035 16.7594 16.7594 18.4024 18.4024 18.4118 18.4118 18.5382 18.5382 18.5711 18.5711 18.5997 18.5997 19.0762 19.0762 19.0909 19.0909 20.8308 20.8308 23.3216 23.3216 23.8529 23.8529 k = 0.0686-0.0396 0.0560 ( 4889 PWs) bands (ev): -52.9115 -52.9115 -52.8818 -52.8818 -25.5499 -25.5499 -25.4535 -25.4535 -22.3962 -22.3962 -22.3909 -22.3909 -22.2694 -22.2694 -22.2640 -22.2640 -3.2880 -3.2880 -3.2878 -3.2878 -2.2865 -2.2865 -2.2525 -2.2525 -2.2524 -2.2524 8.1732 8.1732 13.5679 13.5679 13.7538 13.7538 13.8062 13.8062 14.4805 14.4805 14.5350 14.5350 16.6693 16.6693 16.7051 16.7051 16.7589 16.7589 18.3649 18.3649 18.3762 18.3762 18.4989 18.4989 18.5618 18.5618 18.6010 18.6010 19.0752 19.0752 19.0918 19.0918 20.8661 20.8661 23.2992 23.2992 23.7755 23.7755 k = 0.0784-0.0453 0.0640 ( 4897 PWs) bands (ev): -52.9114 -52.9114 -52.8819 -52.8819 -25.5495 -25.5495 -25.4540 -25.4540 -22.3964 -22.3964 -22.3895 -22.3895 -22.2709 -22.2709 -22.2639 -22.2639 -3.2881 -3.2881 -3.2878 -3.2878 -2.2866 -2.2866 -2.2525 -2.2525 -2.2524 -2.2524 8.1962 8.1962 13.5344 13.5344 13.7695 13.7695 13.8244 13.8244 14.4890 14.4890 14.5568 14.5568 16.6572 16.6572 16.7069 16.7069 16.7589 16.7589 18.3236 18.3236 18.3360 18.3360 18.4558 18.4558 18.5513 18.5513 18.6025 18.6025 19.0740 19.0740 19.0916 19.0916 20.9053 20.9053 23.2670 23.2670 23.6851 23.6851 k = 0.0882-0.0509 0.0720 ( 4897 PWs) bands (ev): -52.9112 -52.9112 -52.8821 -52.8821 -25.5490 -25.5490 -25.4545 -25.4545 -22.3966 -22.3966 -22.3880 -22.3880 -22.2726 -22.2726 -22.2637 -22.2637 -3.2882 -3.2882 -3.2878 -3.2878 -2.2867 -2.2867 -2.2526 -2.2526 -2.2523 -2.2523 8.2222 8.2222 13.4971 13.4971 13.7884 13.7884 13.8448 13.8448 14.4987 14.4987 14.5802 14.5802 16.6421 16.6421 16.7089 16.7089 16.7595 16.7595 18.2791 18.2791 18.2916 18.2916 18.4093 18.4093 18.5396 18.5396 18.6041 18.6041 19.0727 19.0727 19.0901 19.0901 20.9476 20.9476 23.2244 23.2244 23.5838 23.5838 k = 0.0980-0.0566 0.0800 ( 4889 PWs) bands (ev): -52.9111 -52.9111 -52.8823 -52.8823 -25.5484 -25.5484 -25.4551 -25.4551 -22.3968 -22.3968 -22.3862 -22.3862 -22.2745 -22.2745 -22.2635 -22.2635 -3.2883 -3.2883 -3.2879 -3.2879 -2.2868 -2.2868 -2.2526 -2.2526 -2.2523 -2.2523 8.2510 8.2510 13.4567 13.4567 13.8103 13.8103 13.8676 13.8676 14.5094 14.5094 14.6047 14.6047 16.6239 16.6239 16.7113 16.7113 16.7607 16.7607 18.2324 18.2324 18.2435 18.2435 18.3597 18.3597 18.5267 18.5267 18.6059 18.6059 19.0713 19.0713 19.0872 19.0872 20.9921 20.9921 23.1714 23.1714 23.4739 23.4739 k = 0.1078-0.0623 0.0881 ( 4889 PWs) bands (ev): -52.9109 -52.9109 -52.8825 -52.8825 -25.5478 -25.5478 -25.4558 -25.4558 -22.3970 -22.3970 -22.3844 -22.3844 -22.2764 -22.2764 -22.2633 -22.2633 -3.2885 -3.2885 -3.2879 -3.2879 -2.2870 -2.2870 -2.2526 -2.2526 -2.2522 -2.2522 8.2827 8.2827 13.4140 13.4140 13.8349 13.8349 13.8927 13.8927 14.5211 14.5211 14.6304 14.6304 16.6022 16.6022 16.7140 16.7140 16.7625 16.7625 18.1844 18.1844 18.1921 18.1921 18.3076 18.3076 18.5126 18.5126 18.6077 18.6077 19.0697 19.0697 19.0829 19.0829 21.0377 21.0377 23.1087 23.1087 23.3570 23.3570 k = 0.1176-0.0679 0.0961 ( 4889 PWs) bands (ev): -52.9106 -52.9106 -52.8827 -52.8827 -25.5471 -25.5471 -25.4565 -25.4565 -22.3973 -22.3973 -22.3824 -22.3824 -22.2786 -22.2786 -22.2630 -22.2630 -3.2886 -3.2886 -3.2880 -3.2880 -2.2871 -2.2871 -2.2526 -2.2526 -2.2522 -2.2522 8.3172 8.3172 13.3693 13.3693 13.8621 13.8621 13.9201 13.9201 14.5339 14.5339 14.6568 14.6568 16.5769 16.5769 16.7169 16.7169 16.7649 16.7649 18.1359 18.1359 18.1378 18.1378 18.2531 18.2531 18.4973 18.4973 18.6094 18.6094 19.0680 19.0680 19.0771 19.0771 21.0832 21.0832 23.0375 23.0375 23.2347 23.2347 k = 0.1275-0.0736 0.1041 ( 4881 PWs) bands (ev): -52.9104 -52.9104 -52.8829 -52.8829 -25.5464 -25.5464 -25.4573 -25.4573 -22.3976 -22.3976 -22.3802 -22.3802 -22.2809 -22.2809 -22.2628 -22.2628 -3.2888 -3.2888 -3.2881 -3.2881 -2.2873 -2.2873 -2.2527 -2.2527 -2.2521 -2.2521 8.3545 8.3545 13.3231 13.3231 13.8917 13.8917 13.9497 13.9497 14.5478 14.5478 14.6838 14.6838 16.5476 16.5476 16.7202 16.7202 16.7679 16.7679 18.0811 18.0811 18.0877 18.0877 18.1969 18.1969 18.4808 18.4808 18.6110 18.6110 19.0662 19.0662 19.0699 19.0699 21.1267 21.1267 22.9590 22.9590 23.1081 23.1081 k = 0.1373-0.0792 0.1121 ( 4885 PWs) bands (ev): -52.9102 -52.9102 -52.8831 -52.8831 -25.5457 -25.5457 -25.4581 -25.4581 -22.3979 -22.3979 -22.3779 -22.3779 -22.2834 -22.2834 -22.2625 -22.2625 -3.2890 -3.2890 -3.2881 -3.2881 -2.2875 -2.2875 -2.2527 -2.2527 -2.2521 -2.2521 8.3944 8.3944 13.2758 13.2758 13.9237 13.9237 13.9815 13.9815 14.5626 14.5626 14.7113 14.7113 16.5141 16.5141 16.7239 16.7239 16.7713 16.7713 18.0224 18.0224 18.0403 18.0403 18.1393 18.1393 18.4633 18.4633 18.6124 18.6124 19.0614 19.0614 19.0643 19.0643 21.1663 21.1663 22.8738 22.8738 22.9782 22.9782 k = 0.1471-0.0849 0.1201 ( 4869 PWs) bands (ev): -52.9099 -52.9099 -52.8834 -52.8834 -25.5449 -25.5449 -25.4589 -25.4589 -22.3982 -22.3982 -22.3755 -22.3755 -22.2859 -22.2859 -22.2621 -22.2621 -3.2892 -3.2892 -3.2882 -3.2882 -2.2876 -2.2876 -2.2527 -2.2527 -2.2520 -2.2520 8.4369 8.4369 13.2277 13.2277 13.9580 13.9580 14.0155 14.0155 14.5784 14.5784 14.7390 14.7390 16.4765 16.4765 16.7279 16.7279 16.7754 16.7754 17.9619 17.9619 17.9941 17.9941 18.0812 18.0812 18.4446 18.4446 18.6136 18.6136 19.0516 19.0516 19.0622 19.0622 21.1998 21.1998 22.7815 22.7815 22.8457 22.8457 k = 0.1569-0.0906 0.1281 ( 4873 PWs) bands (ev): -52.9097 -52.9097 -52.8836 -52.8836 -25.5441 -25.5441 -25.4599 -25.4599 -22.3986 -22.3986 -22.3729 -22.3729 -22.2886 -22.2886 -22.2618 -22.2618 -3.2893 -3.2893 -3.2883 -3.2883 -2.2878 -2.2878 -2.2528 -2.2528 -2.2520 -2.2520 8.4819 8.4819 13.1791 13.1791 13.9944 13.9944 14.0516 14.0516 14.5951 14.5951 14.7668 14.7668 16.4345 16.4345 16.7323 16.7323 16.7799 16.7799 17.9001 17.9001 17.9486 17.9486 18.0238 18.0238 18.4248 18.4248 18.6144 18.6144 19.0404 19.0404 19.0601 19.0601 21.2243 21.2243 22.6809 22.6809 22.7113 22.7113 k = 0.1667-0.0962 0.1361 ( 4857 PWs) bands (ev): -52.9094 -52.9094 -52.8839 -52.8839 -25.5431 -25.5431 -25.4609 -25.4609 -22.3988 -22.3988 -22.3702 -22.3702 -22.2915 -22.2915 -22.2615 -22.2615 -3.2895 -3.2895 -3.2883 -3.2883 -2.2881 -2.2881 -2.2528 -2.2528 -2.2519 -2.2519 8.5293 8.5293 13.1303 13.1303 14.0330 14.0330 14.0897 14.0897 14.6127 14.6127 14.7944 14.7944 16.3882 16.3882 16.7371 16.7371 16.7851 16.7851 17.8373 17.8373 17.9022 17.9022 17.9693 17.9693 18.4040 18.4040 18.6149 18.6149 19.0281 19.0281 19.0579 19.0579 21.2370 21.2370 22.5708 22.5708 22.5755 22.5755 k = 0.1765-0.1019 0.1441 ( 4865 PWs) bands (ev): -52.9091 -52.9091 -52.8842 -52.8842 -25.5423 -25.5423 -25.4619 -25.4619 -22.3992 -22.3992 -22.3675 -22.3675 -22.2944 -22.2944 -22.2612 -22.2612 -3.2898 -3.2898 -3.2884 -3.2884 -2.2883 -2.2883 -2.2529 -2.2529 -2.2518 -2.2518 8.5790 8.5790 13.0816 13.0816 14.0737 14.0737 14.1298 14.1298 14.6312 14.6312 14.8216 14.8216 16.3377 16.3377 16.7423 16.7423 16.7907 16.7907 17.7738 17.7738 17.8521 17.8521 17.9214 17.9214 18.3823 18.3823 18.6150 18.6150 19.0147 19.0147 19.0556 19.0556 21.2353 21.2353 22.4386 22.4386 22.4518 22.4518 k = 0.1863-0.1075 0.1521 ( 4861 PWs) bands (ev): -52.9088 -52.9088 -52.8844 -52.8844 -25.5414 -25.5414 -25.4629 -25.4629 -22.3996 -22.3996 -22.3646 -22.3646 -22.2973 -22.2973 -22.2609 -22.2609 -3.2900 -3.2900 -3.2885 -3.2885 -2.2885 -2.2885 -2.2530 -2.2530 -2.2517 -2.2517 8.6310 8.6310 13.0333 13.0333 14.1164 14.1164 14.1720 14.1720 14.6506 14.6506 14.8482 14.8482 16.2833 16.2833 16.7480 16.7480 16.7970 16.7970 17.7098 17.7098 17.7966 17.7966 17.8821 17.8821 18.3595 18.3595 18.6146 18.6146 19.0002 19.0002 19.0532 19.0532 21.2173 21.2173 22.3011 22.3011 22.3260 22.3260 k = 0.1961-0.1132 0.1601 ( 4857 PWs) bands (ev): -52.9085 -52.9085 -52.8847 -52.8847 -25.5405 -25.5405 -25.4639 -25.4639 -22.4000 -22.4000 -22.3617 -22.3617 -22.3004 -22.3004 -22.2605 -22.2605 -3.2902 -3.2902 -3.2886 -3.2886 -2.2887 -2.2887 -2.2530 -2.2530 -2.2516 -2.2516 8.6850 8.6850 12.9856 12.9856 14.1609 14.1609 14.2159 14.2159 14.6707 14.6707 14.8739 14.8739 16.2252 16.2252 16.7540 16.7540 16.8038 16.8038 17.6458 17.6458 17.7369 17.7369 17.8506 17.8506 18.3359 18.3359 18.6137 18.6137 18.9846 18.9846 19.0508 19.0508 21.1825 21.1825 22.1633 22.1633 22.1957 22.1957 k = 0.2059-0.1189 0.1681 ( 4861 PWs) bands (ev): -52.9082 -52.9082 -52.8850 -52.8850 -25.5395 -25.5395 -25.4650 -25.4650 -22.4004 -22.4004 -22.3587 -22.3587 -22.3035 -22.3035 -22.2602 -22.2602 -3.2904 -3.2904 -3.2887 -3.2887 -2.2890 -2.2890 -2.2531 -2.2531 -2.2515 -2.2515 8.7409 8.7409 12.9388 12.9388 14.2074 14.2074 14.2618 14.2618 14.6916 14.6916 14.8984 14.8984 16.1639 16.1639 16.7604 16.7604 16.8112 16.8112 17.5818 17.5818 17.6749 17.6749 17.8251 17.8251 18.3115 18.3115 18.6122 18.6122 18.9681 18.9681 19.0483 19.0483 21.1317 21.1317 22.0254 22.0254 22.0626 22.0626 k = 0.2157-0.1245 0.1761 ( 4857 PWs) bands (ev): -52.9079 -52.9079 -52.8853 -52.8853 -25.5385 -25.5385 -25.4661 -25.4661 -22.4008 -22.4008 -22.3556 -22.3556 -22.3067 -22.3067 -22.2598 -22.2598 -3.2907 -3.2907 -3.2888 -3.2888 -2.2892 -2.2892 -2.2532 -2.2532 -2.2514 -2.2514 8.7987 8.7987 12.8930 12.8930 14.2556 14.2556 14.3093 14.3093 14.7131 14.7131 14.9215 14.9215 16.0999 16.0999 16.7673 16.7673 16.8192 16.8192 17.5183 17.5183 17.6120 17.6120 17.8045 17.8045 18.2863 18.2863 18.6100 18.6100 18.9507 18.9507 19.0458 19.0458 21.0671 21.0671 21.8877 21.8877 21.9279 21.9279 k = 0.2255-0.1302 0.1841 ( 4857 PWs) bands (ev): -52.9076 -52.9076 -52.8856 -52.8856 -25.5375 -25.5375 -25.4672 -25.4672 -22.4012 -22.4012 -22.3525 -22.3525 -22.3100 -22.3100 -22.2595 -22.2595 -3.2909 -3.2909 -3.2889 -3.2889 -2.2895 -2.2895 -2.2533 -2.2533 -2.2513 -2.2513 8.8581 8.8581 12.8486 12.8486 14.3054 14.3054 14.3585 14.3585 14.7354 14.7354 14.9429 14.9429 16.0336 16.0336 16.7744 16.7744 16.8278 16.8278 17.4555 17.4555 17.5487 17.5487 17.7880 17.7880 18.2604 18.2604 18.6071 18.6071 18.9325 18.9325 19.0432 19.0432 20.9915 20.9915 21.7504 21.7504 21.7924 21.7924 k = 0.2353-0.1358 0.1921 ( 4857 PWs) bands (ev): -52.9072 -52.9072 -52.8860 -52.8860 -25.5366 -25.5366 -25.4684 -25.4684 -22.4016 -22.4016 -22.3494 -22.3494 -22.3132 -22.3132 -22.2591 -22.2591 -3.2912 -3.2912 -3.2890 -3.2890 -2.2898 -2.2898 -2.2534 -2.2534 -2.2512 -2.2512 8.9190 8.9190 12.8057 12.8057 14.3569 14.3569 14.4093 14.4093 14.7582 14.7582 14.9622 14.9622 15.9655 15.9655 16.7818 16.7818 16.8370 16.8370 17.3936 17.3936 17.4855 17.4855 17.7753 17.7753 18.2339 18.2339 18.6034 18.6034 18.9135 18.9135 19.0406 19.0406 20.9078 20.9078 21.6137 21.6137 21.6566 21.6566 k = 0.2451-0.1415 0.2001 ( 4857 PWs) bands (ev): -52.9069 -52.9069 -52.8863 -52.8863 -25.5356 -25.5356 -25.4695 -25.4695 -22.4020 -22.4020 -22.3462 -22.3462 -22.3165 -22.3165 -22.2588 -22.2588 -3.2914 -3.2914 -3.2892 -3.2892 -2.2900 -2.2900 -2.2535 -2.2535 -2.2511 -2.2511 8.9811 8.9811 12.7646 12.7646 14.4098 14.4098 14.4616 14.4616 14.7815 14.7815 14.9791 14.9791 15.8962 15.8962 16.7892 16.7892 16.8467 16.8467 17.3332 17.3332 17.4229 17.4229 17.7659 17.7659 18.2068 18.2068 18.5988 18.5988 18.8938 18.8938 19.0380 19.0380 20.8189 20.8189 21.4777 21.4777 21.5210 21.5210 k = 0.2549-0.1472 0.2081 ( 4849 PWs) bands (ev): -52.9066 -52.9066 -52.8866 -52.8866 -25.5346 -25.5346 -25.4707 -25.4707 -22.4024 -22.4024 -22.3430 -22.3430 -22.3197 -22.3197 -22.2584 -22.2584 -3.2917 -3.2917 -3.2893 -3.2893 -2.2903 -2.2903 -2.2537 -2.2537 -2.2510 -2.2510 9.0444 9.0444 12.7255 12.7255 14.4641 14.4641 14.5153 14.5153 14.8054 14.8054 14.9932 14.9932 15.8261 15.8261 16.7963 16.7963 16.8568 16.8568 17.2745 17.2745 17.3612 17.3612 17.7595 17.7595 18.1793 18.1793 18.5932 18.5932 18.8734 18.8734 19.0354 19.0354 20.7273 20.7273 21.3426 21.3426 21.3858 21.3858 k = 0.2647-0.1528 0.2161 ( 4841 PWs) bands (ev): -52.9063 -52.9063 -52.8869 -52.8869 -25.5336 -25.5336 -25.4718 -25.4718 -22.4029 -22.4029 -22.3399 -22.3399 -22.3229 -22.3229 -22.2580 -22.2580 -3.2919 -3.2919 -3.2894 -3.2894 -2.2906 -2.2906 -2.2538 -2.2538 -2.2509 -2.2509 9.1085 9.1085 12.6885 12.6885 14.5196 14.5196 14.5702 14.5702 14.8296 14.8296 15.0044 15.0044 15.7558 15.7558 16.8027 16.8027 16.8671 16.8671 17.2184 17.2184 17.3008 17.3008 17.7558 17.7558 18.1514 18.1514 18.5867 18.5867 18.8524 18.8524 19.0328 19.0328 20.6351 20.6351 21.2087 21.2087 21.2514 21.2514 k = 0.2745-0.1585 0.2241 ( 4841 PWs) bands (ev): -52.9059 -52.9059 -52.8872 -52.8872 -25.5326 -25.5326 -25.4729 -25.4729 -22.4033 -22.4033 -22.3367 -22.3367 -22.3261 -22.3261 -22.2576 -22.2576 -3.2922 -3.2922 -3.2895 -3.2895 -2.2909 -2.2909 -2.2539 -2.2539 -2.2508 -2.2508 9.1733 9.1733 12.6539 12.6539 14.5762 14.5762 14.6263 14.6263 14.8542 14.8542 15.0121 15.0121 15.6857 15.6857 16.8074 16.8074 16.8773 16.8773 17.1659 17.1659 17.2422 17.2422 17.7546 17.7546 18.1233 18.1233 18.5790 18.5790 18.8309 18.8309 19.0302 19.0302 20.5441 20.5441 21.0760 21.0760 21.1181 21.1181 k = 0.2843-0.1641 0.2321 ( 4845 PWs) bands (ev): -52.9056 -52.9056 -52.8875 -52.8875 -25.5316 -25.5316 -25.4741 -25.4741 -22.4037 -22.4037 -22.3336 -22.3336 -22.3293 -22.3293 -22.2573 -22.2573 -3.2924 -3.2924 -3.2896 -3.2896 -2.2911 -2.2911 -2.2541 -2.2541 -2.2507 -2.2507 9.2384 9.2384 12.6219 12.6219 14.6338 14.6338 14.6834 14.6834 14.8790 14.8790 15.0161 15.0161 15.6163 15.6163 16.8091 16.8091 16.8865 16.8865 17.1184 17.1184 17.1863 17.1863 17.7555 17.7555 18.0950 18.0950 18.5703 18.5703 18.8089 18.8089 19.0276 19.0276 20.4556 20.4556 20.9447 20.9447 20.9859 20.9859 k = 0.2941-0.1698 0.2401 ( 4853 PWs) bands (ev): -52.9053 -52.9053 -52.8878 -52.8878 -25.5307 -25.5307 -25.4753 -25.4753 -22.4041 -22.4041 -22.3325 -22.3325 -22.3305 -22.3305 -22.2570 -22.2570 -3.2927 -3.2927 -3.2898 -3.2898 -2.2914 -2.2914 -2.2542 -2.2542 -2.2506 -2.2506 9.3037 9.3037 12.5926 12.5926 14.6922 14.6922 14.7412 14.7412 14.9041 14.9041 15.0163 15.0163 15.5479 15.5479 16.8055 16.8055 16.8933 16.8933 17.0785 17.0785 17.1349 17.1349 17.7582 17.7582 18.0668 18.0668 18.5604 18.5604 18.7864 18.7864 19.0250 19.0250 20.3709 20.3709 20.8150 20.8150 20.8552 20.8552 k = 0.3039-0.1755 0.2482 ( 4869 PWs) bands (ev): -52.9050 -52.9050 -52.8881 -52.8881 -25.5298 -25.5298 -25.4764 -25.4764 -22.4046 -22.4046 -22.3356 -22.3356 -22.3275 -22.3275 -22.2566 -22.2566 -3.2930 -3.2930 -3.2899 -3.2899 -2.2917 -2.2917 -2.2544 -2.2544 -2.2505 -2.2505 9.3688 9.3688 12.5663 12.5663 14.7512 14.7512 14.7997 14.7997 14.9295 14.9295 15.0123 15.0123 15.4810 15.4810 16.7938 16.7938 16.8941 16.8941 17.0489 17.0489 17.0914 17.0914 17.7626 17.7626 18.0388 18.0388 18.5495 18.5495 18.7636 18.7636 19.0225 19.0225 20.2909 20.2909 20.6871 20.6871 20.7261 20.7261 k = 0.3137-0.1811 0.2562 ( 4877 PWs) bands (ev): -52.9047 -52.9047 -52.8884 -52.8884 -25.5290 -25.5290 -25.4775 -25.4775 -22.4049 -22.4049 -22.3386 -22.3386 -22.3246 -22.3246 -22.2563 -22.2563 -3.2932 -3.2932 -3.2900 -3.2900 -2.2920 -2.2920 -2.2545 -2.2545 -2.2504 -2.2504 9.4334 9.4334 12.5431 12.5431 14.8104 14.8104 14.8583 14.8583 14.9551 14.9551 15.0042 15.0042 15.4160 15.4160 16.7720 16.7720 16.8837 16.8837 17.0318 17.0318 17.0614 17.0614 17.7684 17.7684 18.0111 18.0111 18.5375 18.5375 18.7405 18.7405 19.0200 19.0200 20.2163 20.2163 20.5611 20.5611 20.5988 20.5988 k = 0.3235-0.1868 0.2642 ( 4877 PWs) bands (ev): -52.9044 -52.9044 -52.8887 -52.8887 -25.5280 -25.5280 -25.4786 -25.4786 -22.4053 -22.4053 -22.3416 -22.3416 -22.3216 -22.3216 -22.2560 -22.2560 -3.2934 -3.2934 -3.2902 -3.2902 -2.2922 -2.2922 -2.2547 -2.2547 -2.2503 -2.2503 9.4973 9.4973 12.5231 12.5231 14.8691 14.8691 14.9162 14.9162 14.9814 14.9814 14.9925 14.9925 15.3532 15.3532 16.7407 16.7407 16.8579 16.8579 17.0267 17.0267 17.0489 17.0489 17.7751 17.7751 17.9842 17.9842 18.5247 18.5247 18.7171 18.7171 19.0175 19.0175 20.1476 20.1476 20.4372 20.4372 20.4736 20.4736 k = 0.3333-0.1925 0.2722 ( 4877 PWs) bands (ev): -52.9041 -52.9041 -52.8890 -52.8890 -25.5272 -25.5272 -25.4796 -25.4796 -22.4057 -22.4057 -22.3444 -22.3444 -22.3187 -22.3187 -22.2557 -22.2557 -3.2937 -3.2937 -3.2903 -3.2903 -2.2925 -2.2925 -2.2548 -2.2548 -2.2502 -2.2502 9.5600 9.5600 12.5065 12.5065 14.9230 14.9230 14.9709 14.9709 14.9812 14.9812 15.0104 15.0104 15.2935 15.2935 16.7024 16.7024 16.8194 16.8194 17.0312 17.0312 17.0514 17.0514 17.7824 17.7824 17.9583 17.9583 18.5111 18.5111 18.6936 18.6936 19.0151 19.0151 20.0849 20.0849 20.3156 20.3156 20.3507 20.3507 k = 0.3431-0.1981 0.2802 ( 4876 PWs) bands (ev): -52.9038 -52.9038 -52.8892 -52.8892 -25.5264 -25.5264 -25.4806 -25.4806 -22.4060 -22.4060 -22.3472 -22.3472 -22.3160 -22.3160 -22.2553 -22.2553 -3.2939 -3.2939 -3.2904 -3.2904 -2.2927 -2.2927 -2.2550 -2.2550 -2.2501 -2.2501 9.6212 9.6212 12.4933 12.4933 14.9383 14.9383 15.0041 15.0041 15.0137 15.0137 15.0490 15.0490 15.2384 15.2384 16.6597 16.6597 16.7738 16.7738 17.0426 17.0426 17.0632 17.0632 17.7896 17.7896 17.9343 17.9343 18.4971 18.4971 18.6699 18.6699 19.0128 19.0128 20.0286 20.0286 20.1967 20.1967 20.2304 20.2304 k = 0.3529-0.2038 0.2882 ( 4876 PWs) bands (ev): -52.9036 -52.9036 -52.8895 -52.8895 -25.5256 -25.5256 -25.4815 -25.4815 -22.4064 -22.4064 -22.3498 -22.3498 -22.3134 -22.3134 -22.2550 -22.2550 -3.2941 -3.2941 -3.2905 -3.2905 -2.2930 -2.2930 -2.2551 -2.2551 -2.2500 -2.2500 9.6806 9.6806 12.4838 12.4838 14.9169 14.9169 15.0432 15.0432 15.0593 15.0593 15.0912 15.0912 15.1953 15.1953 16.6147 16.6147 16.7249 16.7249 17.0589 17.0589 17.0806 17.0806 17.7954 17.7954 17.9132 17.9132 18.4827 18.4827 18.6463 18.6463 19.0104 19.0104 19.9783 19.9783 20.0805 20.0805 20.1131 20.1131 k = 0.3627-0.2094 0.2962 ( 4868 PWs) bands (ev): -52.9033 -52.9033 -52.8897 -52.8897 -25.5248 -25.5248 -25.4825 -25.4825 -22.4067 -22.4067 -22.3523 -22.3523 -22.3109 -22.3109 -22.2547 -22.2547 -3.2944 -3.2944 -3.2906 -3.2906 -2.2932 -2.2932 -2.2553 -2.2553 -2.2499 -2.2499 9.7378 9.7378 12.4778 12.4778 14.8873 14.8873 15.0681 15.0681 15.0940 15.0940 15.1181 15.1181 15.1985 15.1985 16.5686 16.5686 16.6746 16.6746 17.0789 17.0789 17.1015 17.1015 17.7977 17.7977 17.8972 17.8972 18.4682 18.4682 18.6227 18.6227 19.0081 19.0081 19.9335 19.9335 19.9674 19.9674 19.9994 19.9994 k = 0.3725-0.2151 0.3042 ( 4856 PWs) bands (ev): -52.9031 -52.9031 -52.8900 -52.8900 -25.5241 -25.5241 -25.4833 -25.4833 -22.4070 -22.4070 -22.3546 -22.3546 -22.3085 -22.3085 -22.2544 -22.2544 -3.2946 -3.2946 -3.2908 -3.2908 -2.2934 -2.2934 -2.2554 -2.2554 -2.2498 -2.2498 9.7925 9.7925 12.4753 12.4753 14.8533 14.8533 15.0564 15.0564 15.0913 15.0913 15.1773 15.1773 15.2459 15.2459 16.5221 16.5221 16.6238 16.6238 17.1017 17.1017 17.1250 17.1250 17.7940 17.7940 17.8889 17.8889 18.4540 18.4540 18.5993 18.5993 19.0058 19.0058 19.8578 19.8578 19.8806 19.8806 19.9031 19.9031 k = 0.3824-0.2208 0.3122 ( 4856 PWs) bands (ev): -52.9029 -52.9029 -52.8902 -52.8902 -25.5234 -25.5234 -25.4841 -25.4841 -22.4073 -22.4073 -22.3568 -22.3568 -22.3062 -22.3062 -22.2542 -22.2542 -3.2947 -3.2947 -3.2909 -3.2909 -2.2937 -2.2937 -2.2555 -2.2555 -2.2497 -2.2497 9.8444 9.8444 12.4763 12.4763 14.8157 14.8157 15.0130 15.0130 15.1130 15.1130 15.2362 15.2362 15.3025 15.3025 16.4756 16.4756 16.5730 16.5730 17.1268 17.1268 17.1504 17.1504 17.7834 17.7834 17.8890 17.8890 18.4402 18.4402 18.5762 18.5762 19.0035 19.0035 19.7519 19.7519 19.7785 19.7785 19.8653 19.8653 k = 0.3922-0.2264 0.3202 ( 4848 PWs) bands (ev): -52.9027 -52.9027 -52.8904 -52.8904 -25.5228 -25.5228 -25.4849 -25.4849 -22.4075 -22.4075 -22.3589 -22.3589 -22.3041 -22.3041 -22.2539 -22.2539 -3.2949 -3.2949 -3.2910 -3.2910 -2.2939 -2.2939 -2.2557 -2.2557 -2.2496 -2.2496 9.8930 9.8930 12.4805 12.4805 14.7755 14.7755 14.9708 14.9708 15.1336 15.1336 15.2944 15.2944 15.3611 15.3611 16.4295 16.4295 16.5225 16.5225 17.1537 17.1537 17.1773 17.1773 17.7682 17.7682 17.8954 17.8954 18.4270 18.4270 18.5535 18.5535 19.0011 19.0011 19.6503 19.6503 19.6764 19.6764 19.8369 19.8369 k = 0.4020-0.2321 0.3282 ( 4856 PWs) bands (ev): -52.9025 -52.9025 -52.8906 -52.8906 -25.5222 -25.5222 -25.4856 -25.4856 -22.4078 -22.4078 -22.3608 -22.3608 -22.3021 -22.3021 -22.2538 -22.2538 -3.2951 -3.2951 -3.2911 -3.2911 -2.2940 -2.2940 -2.2558 -2.2558 -2.2495 -2.2495 9.9382 9.9382 12.4877 12.4877 14.7335 14.7335 14.9312 14.9312 15.1529 15.1529 15.3516 15.3516 15.4200 15.4200 16.3839 16.3839 16.4722 16.4722 17.1819 17.1819 17.2052 17.2052 17.7510 17.7510 17.9054 17.9054 18.4147 18.4147 18.5313 18.5313 18.9986 18.9986 19.5534 19.5534 19.5789 19.5789 19.8132 19.8132 k = 0.4118-0.2377 0.3362 ( 4864 PWs) bands (ev): -52.9023 -52.9023 -52.8907 -52.8907 -25.5217 -25.5217 -25.4862 -25.4862 -22.4080 -22.4080 -22.3626 -22.3626 -22.3004 -22.3004 -22.2535 -22.2535 -3.2953 -3.2953 -3.2912 -3.2912 -2.2942 -2.2942 -2.2559 -2.2559 -2.2495 -2.2495 9.9797 9.9797 12.4974 12.4974 14.6905 14.6905 14.8948 14.8948 15.1709 15.1709 15.4077 15.4077 15.4786 15.4786 16.3388 16.3388 16.4221 16.4221 17.2110 17.2110 17.2338 17.2338 17.7335 17.7335 17.9173 17.9173 18.4033 18.4033 18.5098 18.5098 18.9958 18.9958 19.4617 19.4617 19.4869 19.4869 19.7937 19.7937 k = 0.4216-0.2434 0.3442 ( 4864 PWs) bands (ev): -52.9021 -52.9021 -52.8909 -52.8909 -25.5213 -25.5213 -25.4868 -25.4868 -22.4083 -22.4083 -22.3642 -22.3642 -22.2988 -22.2988 -22.2533 -22.2533 -3.2954 -3.2954 -3.2912 -3.2912 -2.2944 -2.2944 -2.2560 -2.2560 -2.2494 -2.2494 10.0172 10.0172 12.5092 12.5092 14.6475 14.6475 14.8618 14.8618 15.1873 15.1873 15.4624 15.4624 15.5368 15.5368 16.2945 16.2945 16.3724 16.3724 17.2405 17.2405 17.2625 17.2625 17.7166 17.7166 17.9301 17.9301 18.3930 18.3930 18.4892 18.4892 18.9926 18.9926 19.3760 19.3760 19.4015 19.4015 19.7777 19.7777 k = 0.4314-0.2491 0.3522 ( 4852 PWs) bands (ev): -52.9020 -52.9020 -52.8910 -52.8910 -25.5208 -25.5208 -25.4873 -25.4873 -22.4084 -22.4084 -22.3655 -22.3655 -22.2974 -22.2974 -22.2531 -22.2531 -3.2955 -3.2955 -3.2913 -3.2913 -2.2945 -2.2945 -2.2561 -2.2561 -2.2493 -2.2493 10.0506 10.0506 12.5224 12.5224 14.6057 14.6057 14.8324 14.8324 15.2022 15.2022 15.5155 15.5155 15.5942 15.5942 16.2509 16.2509 16.3229 16.3229 17.2698 17.2698 17.2909 17.2909 17.7008 17.7008 17.9431 17.9431 18.3838 18.3838 18.4698 18.4698 18.9887 18.9887 19.2970 19.2970 19.3235 19.3235 19.7648 19.7648 k = 0.4412-0.2547 0.3602 ( 4848 PWs) bands (ev): -52.9018 -52.9018 -52.8912 -52.8912 -25.5205 -25.5205 -25.4877 -25.4877 -22.4086 -22.4086 -22.3667 -22.3667 -22.2961 -22.2961 -22.2529 -22.2529 -3.2956 -3.2956 -3.2914 -3.2914 -2.2946 -2.2946 -2.2562 -2.2562 -2.2493 -2.2493 10.0797 10.0797 12.5364 12.5364 14.5662 14.5662 14.8068 14.8068 15.2154 15.2154 15.5667 15.5667 15.6509 15.6509 16.2083 16.2083 16.2735 16.2735 17.2980 17.2980 17.3181 17.3181 17.6865 17.6865 17.9558 17.9558 18.3757 18.3757 18.4517 18.4517 18.9837 18.9837 19.2254 19.2254 19.2544 19.2544 19.7545 19.7545 k = 0.4510-0.2604 0.3682 ( 4840 PWs) bands (ev): -52.9017 -52.9017 -52.8913 -52.8913 -25.5201 -25.5201 -25.4881 -25.4881 -22.4087 -22.4087 -22.3678 -22.3678 -22.2950 -22.2950 -22.2528 -22.2528 -3.2957 -3.2957 -3.2914 -3.2914 -2.2947 -2.2947 -2.2563 -2.2563 -2.2492 -2.2492 10.1045 10.1045 12.5503 12.5503 14.5300 14.5300 14.7850 14.7850 15.2268 15.2268 15.6155 15.6155 15.7066 15.7066 16.1669 16.1669 16.2241 16.2241 17.3244 17.3244 17.3435 17.3435 17.6740 17.6740 17.9678 17.9678 18.3689 18.3689 18.4354 18.4354 18.9772 18.9772 19.1624 19.1624 19.1956 19.1956 19.7464 19.7464 k = 0.4608-0.2660 0.3762 ( 4848 PWs) bands (ev): -52.9016 -52.9016 -52.8913 -52.8913 -25.5199 -25.5199 -25.4885 -25.4885 -22.4089 -22.4089 -22.3687 -22.3687 -22.2941 -22.2941 -22.2527 -22.2527 -3.2958 -3.2958 -3.2915 -3.2915 -2.2948 -2.2948 -2.2563 -2.2563 -2.2492 -2.2492 10.1248 10.1248 12.5632 12.5632 14.4985 14.4985 14.7671 14.7671 15.2362 15.2362 15.6614 15.6614 15.7615 15.7615 16.1274 16.1274 16.1747 16.1747 17.3479 17.3479 17.3661 17.3661 17.6634 17.6634 17.9785 17.9785 18.3632 18.3632 18.4212 18.4212 18.9687 18.9687 19.1088 19.1088 19.1486 19.1486 19.7403 19.7403 k = 0.4706-0.2717 0.3842 ( 4852 PWs) bands (ev): -52.9016 -52.9016 -52.8914 -52.8914 -25.5197 -25.5197 -25.4887 -25.4887 -22.4090 -22.4090 -22.3694 -22.3694 -22.2934 -22.2934 -22.2527 -22.2527 -3.2959 -3.2959 -3.2915 -3.2915 -2.2949 -2.2949 -2.2564 -2.2564 -2.2492 -2.2492 10.1406 10.1406 12.5743 12.5743 14.4726 14.4726 14.7531 14.7531 15.2437 15.2437 15.7029 15.7029 15.8154 15.8154 16.0908 16.0908 16.1251 16.1251 17.3676 17.3676 17.3850 17.3850 17.6549 17.6549 17.9876 17.9876 18.3588 18.3588 18.4095 18.4095 18.9584 18.9584 19.0657 19.0657 19.1144 19.1144 19.7358 19.7358 k = 0.4804-0.2774 0.3922 ( 4860 PWs) bands (ev): -52.9015 -52.9015 -52.8915 -52.8915 -25.5196 -25.5196 -25.4890 -25.4890 -22.4091 -22.4091 -22.3699 -22.3699 -22.2929 -22.2929 -22.2526 -22.2526 -3.2959 -3.2959 -3.2915 -3.2915 -2.2949 -2.2949 -2.2564 -2.2564 -2.2492 -2.2492 10.1520 10.1520 12.5829 12.5829 14.4534 14.4534 14.7431 14.7431 15.2490 15.2490 15.7381 15.7381 15.8684 15.8684 16.0593 16.0593 16.0753 16.0753 17.3826 17.3826 17.3994 17.3994 17.6487 17.6487 17.9945 17.9945 18.3556 18.3556 18.4008 18.4008 18.9478 18.9478 19.0342 19.0342 19.0923 19.0923 19.7328 19.7328 k = 0.4902-0.2830 0.4002 ( 4864 PWs) bands (ev): -52.9015 -52.9015 -52.8915 -52.8915 -25.5195 -25.5195 -25.4891 -25.4891 -22.4091 -22.4091 -22.3702 -22.3702 -22.2926 -22.2926 -22.2526 -22.2526 -3.2959 -3.2959 -3.2916 -3.2916 -2.2950 -2.2950 -2.2564 -2.2564 -2.2492 -2.2492 10.1588 10.1588 12.5883 12.5883 14.4415 14.4415 14.7370 14.7370 15.2523 15.2523 15.7628 15.7628 15.9201 15.9201 16.0255 16.0255 16.0367 16.0367 17.3919 17.3919 17.4083 17.4083 17.6449 17.6449 17.9988 17.9988 18.3536 18.3536 18.3954 18.3954 18.9397 18.9397 19.0148 19.0148 19.0803 19.0803 19.7310 19.7310 k = 0.5000-0.2887 0.4082 ( 4880 PWs) bands (ev): -52.9015 -52.9015 -52.8915 -52.8915 -25.5195 -25.5195 -25.4891 -25.4891 -22.4092 -22.4092 -22.3703 -22.3703 -22.2926 -22.2926 -22.2526 -22.2526 -3.2959 -3.2959 -3.2916 -3.2916 -2.2950 -2.2950 -2.2565 -2.2565 -2.2491 -2.2491 10.1610 10.1610 12.5902 12.5902 14.4375 14.4375 14.7350 14.7350 15.2533 15.2533 15.7720 15.7720 15.9613 15.9613 15.9850 15.9850 16.0283 16.0283 17.3951 17.3951 17.4114 17.4114 17.6436 17.6436 18.0003 18.0003 18.3530 18.3530 18.3936 18.3936 18.9367 18.9367 19.0083 19.0083 19.0766 19.0766 19.7304 19.7304 k = 0.5000-0.2887 0.4082 ( 4880 PWs) bands (ev): -52.9015 -52.9015 -52.8915 -52.8915 -25.5195 -25.5195 -25.4891 -25.4891 -22.4092 -22.4092 -22.3703 -22.3703 -22.2926 -22.2926 -22.2526 -22.2526 -3.2959 -3.2959 -3.2916 -3.2916 -2.2950 -2.2950 -2.2565 -2.2565 -2.2491 -2.2491 10.1610 10.1610 12.5902 12.5902 14.4375 14.4375 14.7350 14.7350 15.2533 15.2533 15.7720 15.7720 15.9613 15.9613 15.9850 15.9850 16.0283 16.0283 17.3951 17.3951 17.4114 17.4114 17.6436 17.6436 18.0003 18.0003 18.3530 18.3530 18.3936 18.3936 18.9367 18.9367 19.0083 19.0083 19.0766 19.0766 19.7304 19.7304 k = 0.5000-0.2776 0.4161 ( 4868 PWs) bands (ev): -52.9015 -52.9015 -52.8915 -52.8915 -25.5194 -25.5194 -25.4891 -25.4891 -22.4090 -22.4090 -22.3703 -22.3703 -22.2926 -22.2926 -22.2526 -22.2526 -3.2959 -3.2959 -3.2916 -3.2916 -2.2950 -2.2950 -2.2564 -2.2564 -2.2492 -2.2492 10.1612 10.1612 12.5919 12.5919 14.4373 14.4373 14.7319 14.7319 15.2539 15.2539 15.7723 15.7723 15.9605 15.9605 15.9864 15.9864 16.0290 16.0290 17.3910 17.3910 17.4076 17.4076 17.6473 17.6473 17.9983 17.9983 18.3534 18.3534 18.3935 18.3935 18.9388 18.9388 19.0085 19.0085 19.0782 19.0782 19.7304 19.7304 k = 0.5000-0.2665 0.4240 ( 4860 PWs) bands (ev): -52.9015 -52.9015 -52.8915 -52.8915 -25.5193 -25.5193 -25.4892 -25.4892 -22.4088 -22.4088 -22.3703 -22.3703 -22.2925 -22.2925 -22.2528 -22.2528 -3.2959 -3.2959 -3.2916 -3.2916 -2.2949 -2.2949 -2.2564 -2.2564 -2.2492 -2.2492 10.1618 10.1618 12.5968 12.5968 14.4366 14.4366 14.7226 14.7226 15.2554 15.2554 15.7730 15.7730 15.9587 15.9587 15.9904 15.9904 16.0311 16.0311 17.3770 17.3770 17.3984 17.3984 17.6579 17.6579 17.9923 17.9923 18.3547 18.3547 18.3935 18.3935 18.9445 18.9445 19.0090 19.0090 19.0833 19.0833 19.7304 19.7304 k = 0.5000-0.2554 0.4318 ( 4858 PWs) bands (ev): -52.9014 -52.9014 -52.8916 -52.8916 -25.5192 -25.5192 -25.4893 -25.4893 -22.4085 -22.4085 -22.3704 -22.3704 -22.2925 -22.2925 -22.2531 -22.2531 -3.2959 -3.2959 -3.2916 -3.2916 -2.2949 -2.2949 -2.2564 -2.2564 -2.2492 -2.2492 10.1628 10.1628 12.6051 12.6051 14.4355 14.4355 14.7073 14.7073 15.2580 15.2580 15.7733 15.7733 15.9569 15.9569 15.9965 15.9965 16.0346 16.0346 17.3516 17.3516 17.3871 17.3871 17.6743 17.6743 17.9825 17.9825 18.3567 18.3567 18.3932 18.3932 18.9518 18.9518 19.0109 19.0109 19.0923 19.0923 19.7304 19.7304 k = 0.5000-0.2443 0.4397 ( 4854 PWs) bands (ev): -52.9013 -52.9013 -52.8916 -52.8916 -25.5190 -25.5190 -25.4895 -25.4895 -22.4081 -22.4081 -22.3704 -22.3704 -22.2924 -22.2924 -22.2536 -22.2536 -3.2959 -3.2959 -3.2916 -3.2916 -2.2949 -2.2949 -2.2564 -2.2564 -2.2492 -2.2492 10.1642 10.1642 12.6167 12.6167 14.4340 14.4340 14.6865 14.6865 15.2617 15.2617 15.7723 15.7723 15.9560 15.9560 16.0042 16.0042 16.0396 16.0396 17.3159 17.3159 17.3748 17.3748 17.6953 17.6953 17.9692 17.9692 18.3595 18.3595 18.3926 18.3926 18.9571 18.9571 19.0162 19.0162 19.1058 19.1058 19.7304 19.7304 k = 0.5000-0.2332 0.4475 ( 4868 PWs) bands (ev): -52.9013 -52.9013 -52.8917 -52.8917 -25.5187 -25.5187 -25.4898 -25.4898 -22.4076 -22.4076 -22.3706 -22.3706 -22.2923 -22.2923 -22.2542 -22.2542 -3.2958 -3.2958 -3.2916 -3.2916 -2.2949 -2.2949 -2.2563 -2.2563 -2.2493 -2.2493 10.1659 10.1659 12.6316 12.6316 14.4322 14.4322 14.6606 14.6606 15.2665 15.2665 15.7688 15.7688 15.9569 15.9569 16.0136 16.0136 16.0462 16.0462 17.2717 17.2717 17.3619 17.3619 17.7197 17.7197 17.9527 17.9527 18.3630 18.3630 18.3915 18.3915 18.9569 18.9569 19.0267 19.0267 19.1241 19.1241 19.7303 19.7303 k = 0.5000-0.2221 0.4554 ( 4868 PWs) bands (ev): -52.9012 -52.9012 -52.8918 -52.8918 -25.5184 -25.5184 -25.4901 -25.4901 -22.4069 -22.4069 -22.3707 -22.3707 -22.2922 -22.2922 -22.2549 -22.2549 -3.2958 -3.2958 -3.2916 -3.2916 -2.2949 -2.2949 -2.2563 -2.2563 -2.2493 -2.2493 10.1680 10.1680 12.6496 12.6496 14.4299 14.4299 14.6300 14.6300 15.2724 15.2724 15.7620 15.7620 15.9602 15.9602 16.0242 16.0242 16.0545 16.0545 17.2206 17.2206 17.3487 17.3487 17.7466 17.7466 17.9336 17.9336 18.3670 18.3670 18.3900 18.3900 18.9510 18.9510 19.0416 19.0416 19.1472 19.1472 19.7302 19.7302 k = 0.5000-0.2110 0.4632 ( 4872 PWs) bands (ev): -52.9010 -52.9010 -52.8919 -52.8919 -25.5180 -25.5180 -25.4905 -25.4905 -22.4062 -22.4062 -22.3708 -22.3708 -22.2921 -22.2921 -22.2557 -22.2557 -3.2957 -3.2957 -3.2917 -3.2917 -2.2948 -2.2948 -2.2562 -2.2562 -2.2494 -2.2494 10.1704 10.1704 12.6708 12.6708 14.4272 14.4272 14.5952 14.5952 15.2795 15.2795 15.7516 15.7516 15.9660 15.9660 16.0357 16.0357 16.0648 16.0648 17.1642 17.1642 17.3356 17.3356 17.7750 17.7750 17.9124 17.9124 18.3715 18.3715 18.3880 18.3880 18.9408 18.9408 19.0588 19.0588 19.1743 19.1743 19.7301 19.7301 k = 0.5000-0.1999 0.4711 ( 4874 PWs) bands (ev): -52.9009 -52.9009 -52.8921 -52.8921 -25.5176 -25.5176 -25.4908 -25.4908 -22.4054 -22.4054 -22.3710 -22.3710 -22.2919 -22.2919 -22.2566 -22.2566 -3.2957 -3.2957 -3.2917 -3.2917 -2.2948 -2.2948 -2.2562 -2.2562 -2.2495 -2.2495 10.1731 10.1731 12.6952 12.6952 14.4243 14.4243 14.5568 14.5568 15.2878 15.2878 15.7376 15.7376 15.9738 15.9738 16.0476 16.0476 16.0772 16.0772 17.1039 17.1039 17.3228 17.3228 17.8043 17.8043 17.8896 17.8896 18.3762 18.3762 18.3857 18.3857 18.9272 18.9272 19.0770 19.0770 19.2047 19.2047 19.7298 19.7298 k = 0.5000-0.1887 0.4789 ( 4862 PWs) bands (ev): -52.9008 -52.9008 -52.8922 -52.8922 -25.5171 -25.5171 -25.4912 -25.4912 -22.4044 -22.4044 -22.3712 -22.3712 -22.2917 -22.2917 -22.2576 -22.2576 -3.2956 -3.2956 -3.2918 -3.2918 -2.2947 -2.2947 -2.2561 -2.2561 -2.2496 -2.2496 10.1760 10.1760 12.7226 12.7226 14.4210 14.4210 14.5150 14.5150 15.2974 15.2974 15.7208 15.7208 15.9831 15.9831 16.0598 16.0598 16.0917 16.0917 17.0408 17.0408 17.3105 17.3105 17.8315 17.8315 17.8680 17.8680 18.3807 18.3807 18.3836 18.3836 18.9111 18.9111 19.0953 19.0953 19.2373 19.2373 19.7294 19.7294 k = 0.5000-0.1776 0.4868 ( 4862 PWs) bands (ev): -52.9006 -52.9006 -52.8924 -52.8924 -25.5166 -25.5166 -25.4917 -25.4917 -22.4034 -22.4034 -22.3714 -22.3714 -22.2915 -22.2915 -22.2587 -22.2587 -3.2956 -3.2956 -3.2918 -3.2918 -2.2947 -2.2947 -2.2560 -2.2560 -2.2497 -2.2497 10.1791 10.1791 12.7530 12.7530 14.4174 14.4174 14.4704 14.4704 15.3084 15.3084 15.7017 15.7017 15.9930 15.9930 16.0720 16.0720 16.1077 16.1077 16.9762 16.9762 17.2988 17.2988 17.8317 17.8317 17.8728 17.8728 18.3802 18.3802 18.3867 18.3867 18.8929 18.8929 19.1135 19.1135 19.2711 19.2711 19.7288 19.7288 k = 0.5000-0.1665 0.4946 ( 4862 PWs) bands (ev): -52.9004 -52.9004 -52.8926 -52.8926 -25.5160 -25.5160 -25.4923 -25.4923 -22.4023 -22.4023 -22.3717 -22.3717 -22.2912 -22.2912 -22.2599 -22.2599 -3.2955 -3.2955 -3.2918 -3.2918 -2.2946 -2.2946 -2.2559 -2.2559 -2.2498 -2.2498 10.1824 10.1824 12.7862 12.7862 14.4135 14.4135 14.4234 14.4234 15.3209 15.3209 15.6812 15.6812 16.0031 16.0031 16.0841 16.0841 16.1249 16.1249 16.9112 16.9112 17.2877 17.2877 17.8076 17.8076 17.9010 17.9010 18.3779 18.3779 18.3916 18.3916 18.8728 18.8728 19.1315 19.1315 19.3053 19.3053 19.7281 19.7281 k = 0.5000-0.1554 0.5025 ( 4866 PWs) bands (ev): -52.9002 -52.9002 -52.8928 -52.8928 -25.5154 -25.5154 -25.4928 -25.4928 -22.4011 -22.4011 -22.3720 -22.3720 -22.2909 -22.2909 -22.2612 -22.2612 -3.2954 -3.2954 -3.2919 -3.2919 -2.2946 -2.2946 -2.2558 -2.2558 -2.2499 -2.2499 10.1857 10.1857 12.8223 12.8223 14.3735 14.3735 14.4098 14.4098 15.3349 15.3349 15.6597 15.6597 16.0126 16.0126 16.0962 16.0962 16.1425 16.1425 16.8470 16.8470 17.2773 17.2773 17.7811 17.7811 17.9310 17.9310 18.3759 18.3759 18.3964 18.3964 18.8511 18.8511 19.1490 19.1490 19.3392 19.3392 19.7271 19.7271 k = 0.5000-0.1443 0.5103 ( 4866 PWs) bands (ev): -52.9000 -52.9000 -52.8930 -52.8930 -25.5148 -25.5148 -25.4935 -25.4935 -22.3998 -22.3998 -22.3724 -22.3724 -22.2905 -22.2905 -22.2625 -22.2625 -3.2953 -3.2953 -3.2919 -3.2919 -2.2945 -2.2945 -2.2557 -2.2557 -2.2500 -2.2500 10.1892 10.1892 12.8610 12.8610 14.3220 14.3220 14.4057 14.4057 15.3504 15.3504 15.6379 15.6379 16.0207 16.0207 16.1079 16.1079 16.1601 16.1601 16.7848 16.7848 17.2676 17.2676 17.7541 17.7541 17.9608 17.9608 18.3745 18.3745 18.4009 18.4009 18.8280 18.8280 19.1660 19.1660 19.3724 19.3724 19.7259 19.7259 k = 0.5000-0.1332 0.5182 ( 4870 PWs) bands (ev): -52.8998 -52.8998 -52.8932 -52.8932 -25.5141 -25.5141 -25.4941 -25.4941 -22.3986 -22.3986 -22.3727 -22.3727 -22.2902 -22.2902 -22.2639 -22.2639 -3.2952 -3.2952 -3.2920 -3.2920 -2.2945 -2.2945 -2.2556 -2.2556 -2.2501 -2.2501 10.1926 10.1926 12.9023 12.9023 14.2687 14.2687 14.4016 14.4016 15.3677 15.3677 15.6162 15.6162 16.0268 16.0268 16.1192 16.1192 16.1774 16.1774 16.7257 16.7257 17.2585 17.2585 17.7273 17.7273 17.9899 17.9899 18.3740 18.3740 18.4050 18.4050 18.8037 18.8037 19.1822 19.1822 19.4043 19.4043 19.7243 19.7243 k = 0.5000-0.1221 0.5260 ( 4866 PWs) bands (ev): -52.8996 -52.8996 -52.8934 -52.8934 -25.5134 -25.5134 -25.4948 -25.4948 -22.3972 -22.3972 -22.3732 -22.3732 -22.2897 -22.2897 -22.2653 -22.2653 -3.2951 -3.2951 -3.2921 -3.2921 -2.2944 -2.2944 -2.2555 -2.2555 -2.2502 -2.2502 10.1960 10.1960 12.9461 12.9461 14.2138 14.2138 14.3974 14.3974 15.3866 15.3866 15.5952 15.5952 16.0297 16.0297 16.1296 16.1296 16.1942 16.1942 16.6709 16.6709 17.2502 17.2502 17.7011 17.7011 18.0179 18.0179 18.3745 18.3745 18.4087 18.4087 18.7784 18.7784 19.1976 19.1976 19.4348 19.4348 19.7223 19.7223 k = 0.5000-0.1110 0.5339 ( 4860 PWs) bands (ev): -52.8993 -52.8993 -52.8937 -52.8937 -25.5126 -25.5126 -25.4955 -25.4955 -22.3958 -22.3958 -22.3737 -22.3737 -22.2892 -22.2892 -22.2667 -22.2667 -3.2950 -3.2950 -3.2921 -3.2921 -2.2944 -2.2944 -2.2554 -2.2554 -2.2503 -2.2503 10.1993 10.1993 12.9922 12.9922 14.1575 14.1575 14.3933 14.3933 15.4073 15.4073 15.5751 15.5751 16.0282 16.0282 16.1391 16.1391 16.2105 16.2105 16.6217 16.6217 17.2426 17.2426 17.6758 17.6758 18.0448 18.0448 18.3762 18.3762 18.4118 18.4118 18.7523 18.7523 19.2121 19.2121 19.4637 19.4637 19.7199 19.7199 k = 0.5000-0.0999 0.5417 ( 4856 PWs) bands (ev): -52.8991 -52.8991 -52.8939 -52.8939 -25.5118 -25.5118 -25.4962 -25.4962 -22.3944 -22.3944 -22.3742 -22.3742 -22.2887 -22.2887 -22.2682 -22.2682 -3.2949 -3.2949 -3.2922 -3.2922 -2.2943 -2.2943 -2.2553 -2.2553 -2.2505 -2.2505 10.2025 10.2025 13.0405 13.0405 14.1000 14.1000 14.3893 14.3893 15.4297 15.4297 15.5563 15.5563 16.0209 16.0209 16.1476 16.1476 16.2264 16.2264 16.5790 16.5790 17.2357 17.2357 17.6518 17.6518 18.0701 18.0701 18.3794 18.3794 18.4144 18.4144 18.7257 18.7257 19.2255 19.2255 19.4908 19.4908 19.7170 19.7170 k = 0.5000-0.0888 0.5496 ( 4860 PWs) bands (ev): -52.8988 -52.8988 -52.8942 -52.8942 -25.5110 -25.5110 -25.4970 -25.4970 -22.3930 -22.3930 -22.3749 -22.3749 -22.2881 -22.2881 -22.2697 -22.2697 -3.2949 -3.2949 -3.2923 -3.2923 -2.2943 -2.2943 -2.2551 -2.2551 -2.2506 -2.2506 10.2055 10.2055 13.0909 13.0909 14.0414 14.0414 14.3855 14.3855 15.4536 15.4536 15.5395 15.5395 16.0068 16.0068 16.1553 16.1553 16.2418 16.2418 16.5435 16.5435 17.2295 17.2295 17.6293 17.6293 18.0938 18.0938 18.3840 18.3840 18.4166 18.4166 18.6987 18.6987 19.2377 19.2377 19.5161 19.5161 19.7135 19.7135 k = 0.5000-0.0777 0.5574 ( 4870 PWs) bands (ev): -52.8985 -52.8985 -52.8944 -52.8944 -25.5102 -25.5102 -25.4979 -25.4979 -22.3916 -22.3916 -22.3756 -22.3756 -22.2874 -22.2874 -22.2712 -22.2712 -3.2948 -3.2948 -3.2923 -3.2923 -2.2943 -2.2943 -2.2550 -2.2550 -2.2507 -2.2507 10.2083 10.2083 13.1431 13.1431 13.9820 13.9820 14.3819 14.3819 15.4778 15.4778 15.5259 15.5259 15.9856 15.9856 16.1624 16.1624 16.2568 16.2568 16.5151 16.5151 17.2241 17.2241 17.6087 17.6087 18.1156 18.1156 18.3900 18.3900 18.4184 18.4184 18.6717 18.6717 19.2487 19.2487 19.5396 19.5396 19.7094 19.7094 k = 0.5000-0.0666 0.5653 ( 4862 PWs) bands (ev): -52.8983 -52.8983 -52.8947 -52.8947 -25.5093 -25.5093 -25.4986 -25.4986 -22.3901 -22.3901 -22.3763 -22.3763 -22.2867 -22.2867 -22.2726 -22.2726 -3.2947 -3.2947 -3.2924 -3.2924 -2.2942 -2.2942 -2.2549 -2.2549 -2.2508 -2.2508 10.2108 10.2108 13.1969 13.1969 13.9218 13.9218 14.3787 14.3787 15.4937 15.4937 15.5245 15.5245 15.9577 15.9577 16.1690 16.1690 16.2711 16.2711 16.4932 16.4932 17.2194 17.2194 17.5902 17.5902 18.1353 18.1353 18.3969 18.3969 18.4206 18.4206 18.6447 18.6447 19.2584 19.2584 19.5613 19.5613 19.7046 19.7046 k = 0.5000-0.0555 0.5731 ( 4870 PWs) bands (ev): -52.8980 -52.8980 -52.8950 -52.8950 -25.5085 -25.5085 -25.4995 -25.4995 -22.3888 -22.3888 -22.3771 -22.3771 -22.2859 -22.2859 -22.2741 -22.2741 -3.2946 -3.2946 -3.2924 -3.2924 -2.2942 -2.2942 -2.2548 -2.2548 -2.2509 -2.2509 10.2129 10.2129 13.2522 13.2522 13.8612 13.8612 14.3758 14.3758 15.4896 15.4896 15.5471 15.5471 15.9245 15.9245 16.1749 16.1749 16.2846 16.2846 16.4765 16.4765 17.2155 17.2155 17.5740 17.5740 18.1527 18.1527 18.4035 18.4035 18.4246 18.4246 18.6181 18.6181 19.2667 19.2667 19.5811 19.5811 19.6990 19.6990 k = 0.5000-0.0444 0.5810 ( 4864 PWs) bands (ev): -52.8977 -52.8977 -52.8953 -52.8953 -25.5076 -25.5076 -25.5003 -25.5003 -22.3874 -22.3874 -22.3780 -22.3780 -22.2850 -22.2850 -22.2755 -22.2755 -3.2946 -3.2946 -3.2925 -3.2925 -2.2942 -2.2942 -2.2547 -2.2547 -2.2510 -2.2510 10.2148 10.2148 13.3087 13.3087 13.8004 13.8004 14.3734 14.3734 15.4812 15.4812 15.5780 15.5780 15.8873 15.8873 16.1802 16.1802 16.2967 16.2967 16.4640 16.4640 17.2122 17.2122 17.5604 17.5604 18.1675 18.1675 18.4076 18.4076 18.4326 18.4326 18.5921 18.5921 19.2736 19.2736 19.5993 19.5993 19.6926 19.6926 k = 0.5000-0.0333 0.5888 ( 4880 PWs) bands (ev): -52.8974 -52.8974 -52.8956 -52.8956 -25.5067 -25.5067 -25.5013 -25.5013 -22.3861 -22.3861 -22.3789 -22.3789 -22.2841 -22.2841 -22.2769 -22.2769 -3.2945 -3.2945 -3.2925 -3.2925 -2.2942 -2.2942 -2.2547 -2.2547 -2.2511 -2.2511 10.2162 10.2162 13.3661 13.3661 13.7397 13.7397 14.3715 14.3715 15.4738 15.4738 15.6120 15.6120 15.8478 15.8478 16.1844 16.1844 16.3072 16.3072 16.4548 16.4548 17.2097 17.2097 17.5497 17.5497 18.1794 18.1794 18.4092 18.4092 18.4448 18.4448 18.5669 18.5669 19.2789 19.2789 19.6158 19.6158 19.6853 19.6853 k = 0.5000-0.0222 0.5967 ( 4884 PWs) bands (ev): -52.8971 -52.8971 -52.8959 -52.8959 -25.5058 -25.5058 -25.5022 -25.5022 -22.3848 -22.3848 -22.3799 -22.3799 -22.2831 -22.2831 -22.2782 -22.2782 -3.2945 -3.2945 -3.2926 -3.2926 -2.2941 -2.2941 -2.2546 -2.2546 -2.2512 -2.2512 10.2173 10.2173 13.4235 13.4235 13.6799 13.6799 14.3700 14.3700 15.4684 15.4684 15.6482 15.6482 15.8070 15.8070 16.1876 16.1876 16.3153 16.3153 16.4483 16.4483 17.2079 17.2079 17.5418 17.5418 18.1882 18.1882 18.4096 18.4096 18.4601 18.4601 18.5428 18.5428 19.2828 19.2828 19.6306 19.6306 19.6769 19.6769 k = 0.5000-0.0111 0.6045 ( 4888 PWs) bands (ev): -52.8968 -52.8968 -52.8962 -52.8962 -25.5049 -25.5049 -25.5031 -25.5031 -22.3836 -22.3836 -22.3810 -22.3810 -22.2821 -22.2821 -22.2794 -22.2794 -3.2944 -3.2944 -3.2926 -3.2926 -2.2941 -2.2941 -2.2546 -2.2546 -2.2512 -2.2512 10.2179 10.2179 13.4784 13.4784 13.6236 13.6236 14.3692 14.3692 15.4650 15.4650 15.6861 15.6861 15.7660 15.7660 16.1896 16.1896 16.3205 16.3205 16.4444 16.4444 17.2068 17.2068 17.5371 17.5371 18.1936 18.1936 18.4095 18.4095 18.4775 18.4775 18.5202 18.5202 19.2851 19.2851 19.6439 19.6439 19.6676 19.6676 k = 0.5000 0.0000 0.6124 ( 4888 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5041 -25.5041 -25.5039 -25.5039 -22.3828 -22.3828 -22.3817 -22.3817 -22.2814 -22.2814 -22.2802 -22.2802 -3.2944 -3.2944 -3.2926 -3.2926 -2.2941 -2.2941 -2.2546 -2.2546 -2.2512 -2.2512 10.2181 10.2181 13.5116 13.5116 13.5899 13.5899 14.3689 14.3689 15.4639 15.4639 15.7251 15.7251 15.7260 15.7260 16.1902 16.1902 16.3223 16.3223 16.4431 16.4431 17.2065 17.2065 17.5355 17.5355 18.1954 18.1954 18.4095 18.4095 18.4923 18.4923 18.5037 18.5037 19.2859 19.2859 19.6531 19.6531 19.6596 19.6596 k = 0.5000 0.0000 0.6124 ( 4888 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5041 -25.5041 -25.5039 -25.5039 -22.3828 -22.3828 -22.3817 -22.3817 -22.2814 -22.2814 -22.2802 -22.2802 -3.2944 -3.2944 -3.2926 -3.2926 -2.2941 -2.2941 -2.2546 -2.2546 -2.2512 -2.2512 10.2181 10.2181 13.5116 13.5116 13.5899 13.5899 14.3689 14.3689 15.4639 15.4639 15.7251 15.7251 15.7260 15.7260 16.1902 16.1902 16.3223 16.3223 16.4431 16.4431 17.2065 17.2065 17.5355 17.5355 18.1954 18.1954 18.4095 18.4095 18.4923 18.4923 18.5037 18.5037 19.2859 19.2859 19.6531 19.6531 19.6596 19.6596 k = 0.4931 0.0120 0.6124 ( 4888 PWs) bands (ev): -52.8967 -52.8967 -52.8963 -52.8963 -25.5047 -25.5047 -25.5034 -25.5034 -22.3832 -22.3832 -22.3812 -22.3812 -22.2818 -22.2818 -22.2798 -22.2798 -3.2944 -3.2944 -3.2926 -3.2926 -2.2941 -2.2941 -2.2546 -2.2546 -2.2512 -2.2512 10.2176 10.2176 13.4924 13.4924 13.6088 13.6088 14.3703 14.3703 15.4609 15.4609 15.6970 15.6970 15.7555 15.7555 16.1900 16.1900 16.3224 16.3224 16.4453 16.4453 17.2051 17.2051 17.5349 17.5349 18.1944 18.1944 18.4083 18.4083 18.4854 18.4854 18.5160 18.5160 19.2846 19.2846 19.6495 19.6495 19.6661 19.6661 k = 0.4861 0.0241 0.6124 ( 4883 PWs) bands (ev): -52.8969 -52.8969 -52.8961 -52.8961 -25.5053 -25.5053 -25.5027 -25.5027 -22.3839 -22.3839 -22.3805 -22.3805 -22.2826 -22.2826 -22.2791 -22.2791 -3.2945 -3.2945 -3.2925 -3.2925 -2.2941 -2.2941 -2.2546 -2.2546 -2.2512 -2.2512 10.2161 10.2161 13.4576 13.4576 13.6426 13.6426 14.3742 14.3742 15.4522 15.4522 15.6693 15.6693 15.7874 15.7874 16.1894 16.1894 16.3221 16.3221 16.4523 16.4523 17.2010 17.2010 17.5329 17.5329 18.1915 18.1915 18.4041 18.4041 18.4817 18.4817 18.5358 18.5358 19.2810 19.2810 19.6478 19.6478 19.6763 19.6763 k = 0.4792 0.0361 0.6124 ( 4871 PWs) bands (ev): -52.8971 -52.8971 -52.8959 -52.8959 -25.5058 -25.5058 -25.5021 -25.5021 -22.3846 -22.3846 -22.3797 -22.3797 -22.2833 -22.2833 -22.2783 -22.2783 -3.2945 -3.2945 -3.2925 -3.2925 -2.2941 -2.2941 -2.2546 -2.2546 -2.2511 -2.2511 10.2139 10.2139 13.4211 13.4211 13.6778 13.6778 14.3802 14.3802 15.4385 15.4385 15.6426 15.6426 15.8210 15.8210 16.1887 16.1887 16.3207 16.3207 16.4643 16.4643 17.1941 17.1941 17.5295 17.5295 18.1872 18.1872 18.3971 18.3971 18.4838 18.4838 18.5592 18.5592 19.2754 19.2754 19.6504 19.6504 19.6876 19.6876 k = 0.4722 0.0481 0.6124 ( 4871 PWs) bands (ev): -52.8973 -52.8973 -52.8957 -52.8957 -25.5064 -25.5064 -25.5016 -25.5016 -22.3852 -22.3852 -22.3790 -22.3790 -22.2840 -22.2840 -22.2777 -22.2777 -3.2945 -3.2945 -3.2924 -3.2924 -2.2941 -2.2941 -2.2546 -2.2546 -2.2511 -2.2511 10.2110 10.2110 13.3854 13.3854 13.7118 13.7118 14.3880 14.3880 15.4203 15.4203 15.6171 15.6171 15.8557 15.8557 16.1882 16.1882 16.3182 16.3182 16.4809 16.4809 17.1847 17.1847 17.5247 17.5247 18.1817 18.1817 18.3881 18.3881 18.4901 18.4901 18.5856 18.5856 19.2681 19.2681 19.6577 19.6577 19.6992 19.6992 k = 0.4653 0.0601 0.6124 ( 4870 PWs) bands (ev): -52.8975 -52.8975 -52.8955 -52.8955 -25.5069 -25.5069 -25.5011 -25.5011 -22.3858 -22.3858 -22.3783 -22.3783 -22.2847 -22.2847 -22.2771 -22.2771 -3.2946 -3.2946 -3.2923 -3.2923 -2.2941 -2.2941 -2.2547 -2.2547 -2.2510 -2.2510 10.2076 10.2076 13.3514 13.3514 13.7440 13.7440 14.3970 14.3970 15.3987 15.3987 15.5930 15.5930 15.8913 15.8913 16.1879 16.1879 16.3147 16.3147 16.5015 16.5015 17.1728 17.1728 17.5186 17.5186 18.1755 18.1755 18.3776 18.3776 18.4993 18.4993 18.6146 18.6146 19.2594 19.2594 19.6697 19.6697 19.7110 19.7110 k = 0.4583 0.0722 0.6124 ( 4866 PWs) bands (ev): -52.8976 -52.8976 -52.8954 -52.8954 -25.5073 -25.5073 -25.5006 -25.5006 -22.3864 -22.3864 -22.3776 -22.3776 -22.2854 -22.2854 -22.2765 -22.2765 -3.2947 -3.2947 -3.2923 -3.2923 -2.2941 -2.2941 -2.2547 -2.2547 -2.2510 -2.2510 10.2039 10.2039 13.3195 13.3195 13.7743 13.7743 14.4068 14.4068 15.3743 15.3743 15.5702 15.5702 15.9272 15.9272 16.1882 16.1882 16.3106 16.3106 16.5251 16.5251 17.1589 17.1589 17.5114 17.5114 18.1688 18.1688 18.3657 18.3657 18.5105 18.5105 18.6456 18.6456 19.2493 19.2493 19.6863 19.6863 19.7224 19.7224 k = 0.4514 0.0842 0.6124 ( 4872 PWs) bands (ev): -52.8978 -52.8978 -52.8952 -52.8952 -25.5078 -25.5078 -25.5001 -25.5001 -22.3869 -22.3869 -22.3770 -22.3770 -22.2860 -22.2860 -22.2760 -22.2760 -3.2947 -3.2947 -3.2922 -3.2922 -2.2941 -2.2941 -2.2548 -2.2548 -2.2509 -2.2509 10.2000 10.2000 13.2897 13.2897 13.8027 13.8027 14.4171 14.4171 15.3481 15.3481 15.5488 15.5488 15.9629 15.9629 16.1890 16.1890 16.3062 16.3062 16.5508 16.5508 17.1431 17.1431 17.5035 17.5035 18.1619 18.1619 18.3525 18.3525 18.5230 18.5230 18.6783 18.6783 19.2381 19.2381 19.7071 19.7071 19.7334 19.7334 k = 0.4444 0.0962 0.6124 ( 4868 PWs) bands (ev): -52.8979 -52.8979 -52.8951 -52.8951 -25.5081 -25.5081 -25.4997 -25.4997 -22.3873 -22.3873 -22.3764 -22.3764 -22.2866 -22.2866 -22.2756 -22.2756 -3.2948 -3.2948 -3.2921 -3.2921 -2.2941 -2.2941 -2.2548 -2.2548 -2.2508 -2.2508 10.1960 10.1960 13.2623 13.2623 13.8293 13.8293 14.4274 14.4274 15.3208 15.3208 15.5290 15.5290 15.9978 15.9978 16.1907 16.1907 16.3018 16.3018 16.5778 16.5778 17.1258 17.1258 17.4951 17.4951 18.1551 18.1551 18.3382 18.3382 18.5363 18.5363 18.7122 18.7122 19.2258 19.2258 19.7309 19.7309 19.7443 19.7443 k = 0.4375 0.1083 0.6124 ( 4862 PWs) bands (ev): -52.8980 -52.8980 -52.8950 -52.8950 -25.5085 -25.5085 -25.4994 -25.4994 -22.3877 -22.3877 -22.3758 -22.3758 -22.2871 -22.2871 -22.2752 -22.2752 -3.2949 -3.2949 -3.2920 -3.2920 -2.2941 -2.2941 -2.2549 -2.2549 -2.2508 -2.2508 10.1920 10.1920 13.2373 13.2373 13.8542 13.8542 14.4374 14.4374 15.2932 15.2932 15.5108 15.5108 16.0310 16.0310 16.1935 16.1935 16.2977 16.2977 16.6052 16.6052 17.1072 17.1072 17.4865 17.4865 18.1486 18.1486 18.3230 18.3230 18.5500 18.5500 18.7467 18.7467 19.2123 19.2123 19.7503 19.7503 19.7619 19.7619 k = 0.4306 0.1203 0.6124 ( 4862 PWs) bands (ev): -52.8981 -52.8981 -52.8949 -52.8949 -25.5088 -25.5088 -25.4990 -25.4990 -22.3881 -22.3881 -22.3754 -22.3754 -22.2876 -22.2876 -22.2748 -22.2748 -3.2949 -3.2949 -3.2919 -3.2919 -2.2941 -2.2941 -2.2549 -2.2549 -2.2507 -2.2507 10.1882 10.1882 13.2147 13.2147 13.8772 13.8772 14.4469 14.4469 15.2661 15.2661 15.4943 15.4943 16.0616 16.0616 16.1976 16.1976 16.2941 16.2941 16.6325 16.6325 17.0878 17.0878 17.4779 17.4779 18.1425 18.1425 18.3071 18.3071 18.5635 18.5635 18.7815 18.7815 19.1978 19.1978 19.7598 19.7598 19.7903 19.7903 k = 0.4236 0.1323 0.6124 ( 4867 PWs) bands (ev): -52.8982 -52.8982 -52.8948 -52.8948 -25.5091 -25.5091 -25.4987 -25.4987 -22.3884 -22.3884 -22.3749 -22.3749 -22.2880 -22.2880 -22.2745 -22.2745 -3.2950 -3.2950 -3.2918 -3.2918 -2.2941 -2.2941 -2.2550 -2.2550 -2.2506 -2.2506 10.1846 10.1846 13.1947 13.1947 13.8982 13.8982 14.4556 14.4556 15.2400 15.2400 15.4796 15.4796 16.0883 16.0883 16.2036 16.2036 16.2912 16.2912 16.6591 16.6591 17.0679 17.0679 17.4697 17.4697 18.1370 18.1370 18.2911 18.2911 18.5765 18.5765 18.8162 18.8162 19.1821 19.1821 19.7675 19.7675 19.8206 19.8206 k = 0.4167 0.1443 0.6124 ( 4864 PWs) bands (ev): -52.8983 -52.8983 -52.8947 -52.8947 -25.5093 -25.5093 -25.4985 -25.4985 -22.3887 -22.3887 -22.3745 -22.3745 -22.2884 -22.2884 -22.2742 -22.2742 -3.2950 -3.2950 -3.2918 -3.2918 -2.2941 -2.2941 -2.2550 -2.2550 -2.2506 -2.2506 10.1812 10.1812 13.1773 13.1773 13.9172 13.9172 14.4633 14.4633 15.2158 15.2158 15.4667 15.4667 16.1101 16.1101 16.2117 16.2117 16.2894 16.2894 16.6845 16.6845 17.0480 17.0480 17.4621 17.4621 18.1323 18.1323 18.2755 18.2755 18.5886 18.5886 18.8505 18.8505 19.1651 19.1651 19.7739 19.7739 19.8508 19.8508 k = 0.4097 0.1564 0.6124 ( 4866 PWs) bands (ev): -52.8984 -52.8984 -52.8946 -52.8946 -25.5096 -25.5096 -25.4983 -25.4983 -22.3889 -22.3889 -22.3742 -22.3742 -22.2887 -22.2887 -22.2740 -22.2740 -3.2951 -3.2951 -3.2917 -3.2917 -2.2941 -2.2941 -2.2551 -2.2551 -2.2505 -2.2505 10.1783 10.1783 13.1625 13.1625 13.9339 13.9339 14.4701 14.4701 15.1940 15.1940 15.4557 15.4557 16.1263 16.1263 16.2212 16.2212 16.2892 16.2892 16.7081 16.7081 17.0285 17.0285 17.4553 17.4553 18.1285 18.1285 18.2608 18.2608 18.5993 18.5993 18.8839 18.8839 19.1469 19.1469 19.7793 19.7793 19.8795 19.8795 k = 0.4028 0.1684 0.6124 ( 4870 PWs) bands (ev): -52.8985 -52.8985 -52.8945 -52.8945 -25.5097 -25.5097 -25.4981 -25.4981 -22.3891 -22.3891 -22.3740 -22.3740 -22.2890 -22.2890 -22.2738 -22.2738 -3.2951 -3.2951 -3.2916 -3.2916 -2.2941 -2.2941 -2.2551 -2.2551 -2.2505 -2.2505 10.1758 10.1758 13.1503 13.1503 13.9480 13.9480 14.4757 14.4757 15.1751 15.1751 15.4466 15.4466 16.1374 16.1374 16.2307 16.2307 16.2908 16.2908 16.7294 16.7294 17.0102 17.0102 17.4495 17.4495 18.1255 18.1255 18.2477 18.2477 18.6085 18.6085 18.9164 18.9164 19.1274 19.1274 19.7837 19.7837 19.9052 19.9052 k = 0.3958 0.1804 0.6124 ( 4871 PWs) bands (ev): -52.8985 -52.8985 -52.8945 -52.8945 -25.5099 -25.5099 -25.4980 -25.4980 -22.3893 -22.3893 -22.3737 -22.3737 -22.2892 -22.2892 -22.2737 -22.2737 -3.2952 -3.2952 -3.2916 -3.2916 -2.2941 -2.2941 -2.2551 -2.2551 -2.2504 -2.2504 10.1738 10.1738 13.1408 13.1408 13.9594 13.9594 14.4801 14.4801 15.1599 15.1599 15.4395 15.4395 16.1445 16.1445 16.2382 16.2382 16.2944 16.2944 16.7477 16.7477 16.9939 16.9939 17.4449 17.4449 18.1234 18.1234 18.2366 18.2366 18.6158 18.6158 18.9476 18.9476 19.1066 19.1066 19.7871 19.7871 19.9268 19.9268 k = 0.3889 0.1925 0.6124 ( 4873 PWs) bands (ev): -52.8985 -52.8985 -52.8945 -52.8945 -25.5100 -25.5100 -25.4979 -25.4979 -22.3894 -22.3894 -22.3736 -22.3736 -22.2893 -22.2893 -22.2736 -22.2736 -3.2952 -3.2952 -3.2916 -3.2916 -2.2941 -2.2941 -2.2552 -2.2552 -2.2504 -2.2504 10.1724 10.1724 13.1340 13.1340 13.9677 13.9677 14.4832 14.4832 15.1486 15.1486 15.4344 15.4344 16.1489 16.1489 16.2430 16.2430 16.2989 16.2989 16.7621 16.7621 16.9806 16.9806 17.4415 17.4415 18.1221 18.1221 18.2282 18.2282 18.6212 18.6212 18.9773 18.9773 19.0844 19.0844 19.7895 19.7895 19.9432 19.9432 k = 0.3819 0.2045 0.6124 ( 4871 PWs) bands (ev): -52.8986 -52.8986 -52.8944 -52.8944 -25.5100 -25.5100 -25.4978 -25.4978 -22.3894 -22.3894 -22.3735 -22.3735 -22.2894 -22.2894 -22.2735 -22.2735 -3.2952 -3.2952 -3.2916 -3.2916 -2.2941 -2.2941 -2.2552 -2.2552 -2.2504 -2.2504 10.1715 10.1715 13.1299 13.1299 13.9728 13.9728 14.4852 14.4852 15.1417 15.1417 15.4313 15.4313 16.1513 16.1513 16.2454 16.2454 16.3025 16.3025 16.7715 16.7715 16.9719 16.9719 17.4394 17.4394 18.1213 18.1213 18.2229 18.2229 18.6245 18.6245 19.0051 19.0051 19.0612 19.0612 19.7909 19.7909 19.9534 19.9534 k = 0.3750 0.2165 0.6124 ( 4882 PWs) bands (ev): -52.8986 -52.8986 -52.8944 -52.8944 -25.5101 -25.5101 -25.4978 -25.4978 -22.3895 -22.3895 -22.3735 -22.3735 -22.2894 -22.2894 -22.2735 -22.2735 -3.2952 -3.2952 -3.2916 -3.2916 -2.2941 -2.2941 -2.2552 -2.2552 -2.2504 -2.2504 10.1712 10.1712 13.1286 13.1286 13.9745 13.9745 14.4858 14.4858 15.1394 15.1394 15.4303 15.4303 16.1520 16.1520 16.2461 16.2461 16.3039 16.3039 16.7748 16.7748 16.9687 16.9687 17.4387 17.4387 18.1211 18.1211 18.2211 18.2211 18.6256 18.6256 19.0242 19.0242 19.0436 19.0436 19.7914 19.7914 19.9568 19.9568 k = 0.3750 0.2165 0.6124 ( 4882 PWs) bands (ev): -52.8986 -52.8986 -52.8944 -52.8944 -25.5101 -25.5101 -25.4978 -25.4978 -22.3895 -22.3895 -22.3735 -22.3735 -22.2894 -22.2894 -22.2735 -22.2735 -3.2952 -3.2952 -3.2916 -3.2916 -2.2941 -2.2941 -2.2552 -2.2552 -2.2504 -2.2504 10.1712 10.1712 13.1286 13.1286 13.9745 13.9745 14.4858 14.4858 15.1394 15.1394 15.4303 15.4303 16.1520 16.1520 16.2461 16.2461 16.3039 16.3039 16.7748 16.7748 16.9687 16.9687 17.4387 17.4387 18.1211 18.1211 18.2211 18.2211 18.6256 18.6256 19.0242 19.0242 19.0436 19.0436 19.7914 19.7914 19.9568 19.9568 k = 0.3681 0.2125 0.6010 ( 4872 PWs) bands (ev): -52.8982 -52.8982 -52.8948 -52.8948 -25.5090 -25.5090 -25.4987 -25.4987 -22.3873 -22.3873 -22.3739 -22.3739 -22.2891 -22.2891 -22.2757 -22.2757 -3.2952 -3.2952 -3.2915 -3.2915 -2.2940 -2.2940 -2.2551 -2.2551 -2.2504 -2.2504 10.1651 10.1651 13.1866 13.1866 13.9087 13.9087 14.4981 14.4981 15.0832 15.0832 15.4488 15.4488 16.1600 16.1600 16.2555 16.2555 16.3176 16.3176 16.7249 16.7249 16.9805 16.9805 17.3911 17.3911 18.1490 18.1490 18.2095 18.2095 18.6631 18.6631 19.0242 19.0242 19.0433 19.0433 19.8074 19.8074 20.0453 20.0453 k = 0.3611 0.2085 0.5897 ( 4876 PWs) bands (ev): -52.8979 -52.8979 -52.8951 -52.8951 -25.5079 -25.5079 -25.4997 -25.4997 -22.3851 -22.3851 -22.3742 -22.3742 -22.2887 -22.2887 -22.2781 -22.2781 -3.2951 -3.2951 -3.2914 -3.2914 -2.2939 -2.2939 -2.2550 -2.2550 -2.2505 -2.2505 10.1570 10.1570 13.2469 13.2469 13.8424 13.8424 14.5124 14.5124 15.0268 15.0268 15.4685 15.4685 16.1644 16.1644 16.2573 16.2573 16.3394 16.3394 16.6747 16.6747 16.9942 16.9942 17.3450 17.3450 18.1757 18.1757 18.1995 18.1995 18.7046 18.7046 19.0230 19.0230 19.0433 19.0433 19.8259 19.8259 20.1359 20.1359 k = 0.3542 0.2045 0.5784 ( 4876 PWs) bands (ev): -52.8976 -52.8976 -52.8954 -52.8954 -25.5068 -25.5068 -25.5008 -25.5008 -22.3828 -22.3828 -22.3746 -22.3746 -22.2883 -22.2883 -22.2805 -22.2805 -3.2951 -3.2951 -3.2913 -3.2913 -2.2938 -2.2938 -2.2548 -2.2548 -2.2506 -2.2506 10.1469 10.1469 13.3092 13.3092 13.7764 13.7764 14.5285 14.5285 14.9705 14.9705 15.4894 15.4894 16.1646 16.1646 16.2559 16.2559 16.3657 16.3657 16.6247 16.6247 17.0081 17.0081 17.3013 17.3013 18.1896 18.1896 18.2029 18.2029 18.7502 18.7502 19.0203 19.0203 19.0439 19.0439 19.8471 19.8471 20.2284 20.2284 k = 0.3472 0.2005 0.5670 ( 4860 PWs) bands (ev): -52.8972 -52.8972 -52.8958 -52.8958 -25.5056 -25.5056 -25.5018 -25.5018 -22.3803 -22.3803 -22.3750 -22.3750 -22.2879 -22.2879 -22.2830 -22.2830 -3.2951 -3.2951 -3.2912 -3.2912 -2.2937 -2.2937 -2.2548 -2.2548 -2.2506 -2.2506 10.1345 10.1345 13.3730 13.3730 13.7114 13.7114 14.5465 14.5465 14.9147 14.9147 15.5113 15.5113 16.1609 16.1609 16.2537 16.2537 16.3937 16.3937 16.5757 16.5757 17.0205 17.0205 17.2612 17.2612 18.1833 18.1833 18.2272 18.2272 18.7993 18.7993 19.0168 19.0168 19.0453 19.0453 19.8711 19.8711 20.3224 20.3224 k = 0.3403 0.1965 0.5557 ( 4860 PWs) bands (ev): -52.8969 -52.8969 -52.8962 -52.8962 -25.5045 -25.5045 -25.5029 -25.5029 -22.3779 -22.3779 -22.3753 -22.3753 -22.2875 -22.2875 -22.2855 -22.2855 -3.2951 -3.2951 -3.2910 -3.2910 -2.2936 -2.2936 -2.2547 -2.2547 -2.2507 -2.2507 10.1195 10.1195 13.4372 13.4372 13.6488 13.6488 14.5661 14.5661 14.8594 14.8594 15.5342 15.5342 16.1542 16.1542 16.2506 16.2506 16.4192 16.4192 16.5312 16.5312 17.0303 17.0303 17.2256 17.2256 18.1785 18.1785 18.2510 18.2510 18.8505 18.8505 19.0143 19.0143 19.0475 19.0475 19.8979 19.8979 20.4179 20.4179 k = 0.3333 0.1925 0.5443 ( 4862 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5039 -25.5039 -25.5033 -25.5033 -22.3761 -22.3761 -22.3749 -22.3749 -22.2884 -22.2884 -22.2869 -22.2869 -3.2951 -3.2951 -3.2909 -3.2909 -2.2935 -2.2935 -2.2546 -2.2546 -2.2507 -2.2507 10.1019 10.1019 13.4961 13.4961 13.5947 13.5947 14.5871 14.5871 14.8049 14.8049 15.5581 15.5581 16.1458 16.1458 16.2458 16.2458 16.4262 16.4262 16.5067 16.5067 17.0365 17.0365 17.1957 17.1957 18.1755 18.1755 18.2737 18.2737 18.8984 18.8984 19.0179 19.0179 19.0510 19.0510 19.9277 19.9277 20.5146 20.5146 k = 0.3264 0.1884 0.5330 ( 4856 PWs) bands (ev): -52.8969 -52.8969 -52.8961 -52.8961 -25.5051 -25.5051 -25.5020 -25.5020 -22.3763 -22.3763 -22.3725 -22.3725 -22.2910 -22.2910 -22.2865 -22.2865 -3.2951 -3.2951 -3.2908 -3.2908 -2.2934 -2.2934 -2.2545 -2.2545 -2.2507 -2.2507 10.0813 10.0813 13.5015 13.5015 13.5975 13.5975 14.6092 14.6092 14.7515 14.7515 15.5829 15.5829 16.1365 16.1365 16.2383 16.2383 16.3959 16.3959 16.5212 16.5212 17.0389 17.0389 17.1723 17.1723 18.1744 18.1744 18.2954 18.2954 18.9295 18.9295 19.0354 19.0354 19.0616 19.0616 19.9604 19.9604 20.6124 20.6124 k = 0.3194 0.1844 0.5217 ( 4856 PWs) bands (ev): -52.8973 -52.8973 -52.8957 -52.8957 -25.5063 -25.5063 -25.5007 -25.5007 -22.3767 -22.3767 -22.3698 -22.3698 -22.2938 -22.2938 -22.2860 -22.2860 -3.2950 -3.2950 -3.2906 -3.2906 -2.2933 -2.2933 -2.2544 -2.2544 -2.2508 -2.2508 10.0577 10.0577 13.4524 13.4524 13.6582 13.6582 14.6309 14.6309 14.7006 14.7006 15.6085 15.6085 16.1270 16.1270 16.2275 16.2275 16.3508 16.3508 16.5524 16.5524 17.0378 17.0378 17.1555 17.1555 18.1751 18.1751 18.3160 18.3160 18.9370 18.9370 19.0478 19.0478 19.1053 19.1053 19.9960 19.9960 20.7111 20.7111 k = 0.3125 0.1804 0.5103 ( 4866 PWs) bands (ev): -52.8977 -52.8977 -52.8953 -52.8953 -25.5075 -25.5075 -25.4995 -25.4995 -22.3772 -22.3772 -22.3671 -22.3671 -22.2966 -22.2966 -22.2856 -22.2856 -3.2950 -3.2950 -3.2905 -3.2905 -2.2932 -2.2932 -2.2543 -2.2543 -2.2508 -2.2508 10.0310 10.0310 13.3990 13.3990 13.7269 13.7269 14.6339 14.6339 14.6703 14.6703 15.6349 15.6349 16.1169 16.1169 16.2132 16.2132 16.3034 16.3034 16.5883 16.5883 17.0349 17.0349 17.1443 17.1443 18.1774 18.1774 18.3356 18.3356 18.9319 18.9319 19.0523 19.0523 19.1738 19.1738 20.0344 20.0344 20.8105 20.8105 k = 0.3056 0.1764 0.4990 ( 4862 PWs) bands (ev): -52.8981 -52.8981 -52.8949 -52.8949 -25.5087 -25.5087 -25.4981 -25.4981 -22.3776 -22.3776 -22.3642 -22.3642 -22.2995 -22.2995 -22.2851 -22.2851 -3.2950 -3.2950 -3.2903 -3.2903 -2.2931 -2.2931 -2.2543 -2.2543 -2.2508 -2.2508 10.0011 10.0011 13.3476 13.3476 13.7971 13.7971 14.5904 14.5904 14.6880 14.6880 15.6620 15.6620 16.1049 16.1049 16.1961 16.1961 16.2576 16.2576 16.6265 16.6265 17.0319 17.0319 17.1371 17.1371 18.1813 18.1813 18.3541 18.3541 18.9221 18.9221 19.0555 19.0555 19.2527 19.2527 20.0758 20.0758 20.9105 20.9105 k = 0.2986 0.1724 0.4876 ( 4872 PWs) bands (ev): -52.8986 -52.8986 -52.8945 -52.8945 -25.5100 -25.5100 -25.4968 -25.4968 -22.3781 -22.3781 -22.3614 -22.3614 -22.3025 -22.3025 -22.2846 -22.2846 -3.2949 -3.2949 -3.2901 -3.2901 -2.2930 -2.2930 -2.2542 -2.2542 -2.2508 -2.2508 9.9678 9.9678 13.2995 13.2995 13.8675 13.8675 14.5419 14.5419 14.7122 14.7122 15.6898 15.6898 16.0879 16.0879 16.1773 16.1773 16.2171 16.2171 16.6660 16.6660 17.0303 17.0303 17.1327 17.1327 18.1865 18.1865 18.3716 18.3716 18.9101 18.9101 19.0585 19.0585 19.3384 19.3384 20.1201 20.1201 21.0109 21.0109 k = 0.2917 0.1684 0.4763 ( 4872 PWs) bands (ev): -52.8990 -52.8990 -52.8941 -52.8941 -25.5113 -25.5113 -25.4954 -25.4954 -22.3786 -22.3786 -22.3584 -22.3584 -22.3054 -22.3054 -22.2840 -22.2840 -3.2949 -3.2949 -3.2900 -3.2900 -2.2929 -2.2929 -2.2541 -2.2541 -2.2508 -2.2508 9.9313 9.9313 13.2550 13.2550 13.9372 13.9372 14.4939 14.4939 14.7369 14.7369 15.7181 15.7181 16.0618 16.0618 16.1545 16.1545 16.1898 16.1898 16.7066 16.7066 17.0307 17.0307 17.1305 17.1305 18.1928 18.1928 18.3882 18.3882 18.8973 18.8973 19.0613 19.0613 19.4294 19.4294 20.1671 20.1671 21.1116 21.1116 k = 0.2847 0.1644 0.4649 ( 4872 PWs) bands (ev): -52.8994 -52.8994 -52.8936 -52.8936 -25.5126 -25.5126 -25.4940 -25.4940 -22.3791 -22.3791 -22.3554 -22.3554 -22.3085 -22.3085 -22.2835 -22.2835 -3.2948 -3.2948 -3.2898 -3.2898 -2.2927 -2.2927 -2.2541 -2.2541 -2.2508 -2.2508 9.8915 9.8915 13.2147 13.2147 14.0055 14.0055 14.4471 14.4471 14.7611 14.7611 15.7469 15.7469 16.0253 16.0253 16.1262 16.1262 16.1801 16.1801 16.7479 16.7479 17.0329 17.0329 17.1307 17.1307 18.2002 18.2002 18.4037 18.4037 18.8843 18.8843 19.0641 19.0641 19.5249 19.5249 20.2171 20.2171 21.2124 21.2124 k = 0.2778 0.1604 0.4536 ( 4870 PWs) bands (ev): -52.8999 -52.8999 -52.8932 -52.8932 -25.5139 -25.5139 -25.4925 -25.4925 -22.3797 -22.3797 -22.3524 -22.3524 -22.3115 -22.3115 -22.2829 -22.2829 -3.2947 -3.2947 -3.2897 -3.2897 -2.2926 -2.2926 -2.2540 -2.2540 -2.2508 -2.2508 9.8486 9.8486 13.1786 13.1786 14.0713 14.0713 14.4019 14.4019 14.7842 14.7842 15.7760 15.7760 15.9813 15.9813 16.0976 16.0976 16.1818 16.1818 16.7895 16.7895 17.0365 17.0365 17.1335 17.1335 18.2085 18.2085 18.4184 18.4184 18.8715 18.8715 19.0669 19.0669 19.6245 19.6245 20.2700 20.2700 21.3132 21.3132 k = 0.2708 0.1564 0.4423 ( 4868 PWs) bands (ev): -52.9003 -52.9003 -52.8928 -52.8928 -25.5152 -25.5152 -25.4911 -25.4911 -22.3801 -22.3801 -22.3493 -22.3493 -22.3146 -22.3146 -22.2824 -22.2824 -3.2946 -3.2946 -3.2895 -3.2895 -2.2924 -2.2924 -2.2540 -2.2540 -2.2508 -2.2508 9.8026 9.8026 13.1470 13.1470 14.1334 14.1334 14.3589 14.3589 14.8057 14.8057 15.8050 15.8050 15.9331 15.9331 16.0716 16.0716 16.1908 16.1908 16.8308 16.8308 17.0414 17.0414 17.1395 17.1395 18.2175 18.2175 18.4321 18.4321 18.8592 18.8592 19.0696 19.0696 19.7276 19.7276 20.3257 20.3257 21.4138 21.4138 k = 0.2639 0.1524 0.4309 ( 4856 PWs) bands (ev): -52.9007 -52.9007 -52.8923 -52.8923 -25.5165 -25.5165 -25.4897 -25.4897 -22.3806 -22.3806 -22.3462 -22.3462 -22.3176 -22.3176 -22.2818 -22.2818 -3.2945 -3.2945 -3.2894 -3.2894 -2.2923 -2.2923 -2.2539 -2.2539 -2.2507 -2.2507 9.7537 9.7537 13.1198 13.1198 14.1889 14.1889 14.3199 14.3199 14.8250 14.8250 15.8325 15.8325 15.8839 15.8839 16.0494 16.0494 16.2056 16.2056 16.8710 16.8710 17.0480 17.0480 17.1486 17.1486 18.2272 18.2272 18.4449 18.4449 18.8478 18.8478 19.0724 19.0724 19.8339 19.8339 20.3844 20.3844 21.5141 21.5141 k = 0.2569 0.1483 0.4196 ( 4860 PWs) bands (ev): -52.9012 -52.9012 -52.8919 -52.8919 -25.5178 -25.5178 -25.4882 -25.4882 -22.3812 -22.3812 -22.3431 -22.3431 -22.3207 -22.3207 -22.2812 -22.2812 -3.2944 -3.2944 -3.2892 -3.2892 -2.2921 -2.2921 -2.2539 -2.2539 -2.2507 -2.2507 9.7022 9.7022 13.0971 13.0971 14.2257 14.2257 14.2962 14.2962 14.8418 14.8418 15.8249 15.8249 15.8681 15.8681 16.0326 16.0326 16.2255 16.2255 16.9084 16.9084 17.0578 17.0578 17.1607 17.1607 18.2375 18.2375 18.4570 18.4570 18.8375 18.8375 19.0751 19.0751 19.9430 19.9430 20.4460 20.4460 21.6139 21.6139 k = 0.2500 0.1443 0.4082 ( 4852 PWs) bands (ev): -52.9016 -52.9016 -52.8915 -52.8915 -25.5192 -25.5192 -25.4867 -25.4867 -22.3817 -22.3817 -22.3399 -22.3399 -22.3238 -22.3238 -22.2805 -22.2805 -3.2943 -3.2943 -3.2891 -3.2891 -2.2919 -2.2919 -2.2538 -2.2538 -2.2507 -2.2507 9.6482 9.6482 13.0789 13.0789 14.2142 14.2142 14.3161 14.3161 14.8558 14.8558 15.7744 15.7744 15.8936 15.8936 16.0228 16.0228 16.2502 16.2502 16.9406 16.9406 17.0735 17.0735 17.1754 17.1754 18.2482 18.2482 18.4682 18.4682 18.8286 18.8286 19.0777 19.0777 20.0546 20.0546 20.5107 20.5107 21.7131 21.7131 k = 0.2431 0.1403 0.3969 ( 4858 PWs) bands (ev): -52.9021 -52.9021 -52.8910 -52.8910 -25.5206 -25.5206 -25.4852 -25.4852 -22.3823 -22.3823 -22.3368 -22.3368 -22.3270 -22.3270 -22.2799 -22.2799 -3.2941 -3.2941 -3.2890 -3.2890 -2.2918 -2.2918 -2.2538 -2.2538 -2.2507 -2.2507 9.5921 9.5921 13.0650 13.0650 14.1814 14.1814 14.3519 14.3519 14.8666 14.8666 15.7216 15.7216 15.9194 15.9194 16.0218 16.0218 16.2793 16.2793 16.9655 16.9655 17.0977 17.0977 17.1921 17.1921 18.2594 18.2594 18.4787 18.4787 18.8213 18.8213 19.0804 19.0804 20.1681 20.1681 20.5785 20.5785 21.8114 21.8114 k = 0.2361 0.1363 0.3856 ( 4858 PWs) bands (ev): -52.9025 -52.9025 -52.8906 -52.8906 -25.5219 -25.5219 -25.4838 -25.4838 -22.3828 -22.3828 -22.3336 -22.3336 -22.3301 -22.3301 -22.2793 -22.2793 -3.2940 -3.2940 -3.2889 -3.2889 -2.2916 -2.2916 -2.2537 -2.2537 -2.2507 -2.2507 9.5341 9.5341 13.0553 13.0553 14.1462 14.1462 14.3837 14.3837 14.8742 14.8742 15.6684 15.6684 15.9438 15.9438 16.0306 16.0306 16.3124 16.3124 16.9834 16.9834 17.1303 17.1303 17.2107 17.2107 18.2710 18.2710 18.4884 18.4884 18.8157 18.8157 19.0829 19.0829 20.2834 20.2834 20.6495 20.6495 21.9089 21.9089 k = 0.2292 0.1323 0.3742 ( 4850 PWs) bands (ev): -52.9030 -52.9030 -52.8901 -52.8901 -25.5233 -25.5233 -25.4823 -25.4823 -22.3834 -22.3834 -22.3331 -22.3331 -22.3304 -22.3304 -22.2787 -22.2787 -3.2938 -3.2938 -3.2887 -3.2887 -2.2914 -2.2914 -2.2537 -2.2537 -2.2507 -2.2507 9.4744 9.4744 13.0498 13.0498 14.1114 14.1114 14.4080 14.4080 14.8784 14.8784 15.6152 15.6152 15.9682 15.9682 16.0482 16.0482 16.3488 16.3488 16.9973 16.9973 17.1681 17.1681 17.2316 17.2316 18.2829 18.2829 18.4976 18.4976 18.8121 18.8121 19.0855 19.0855 20.4000 20.4000 20.7237 20.7237 22.0051 22.0051 k = 0.2222 0.1283 0.3629 ( 4846 PWs) bands (ev): -52.9034 -52.9034 -52.8897 -52.8897 -25.5246 -25.5246 -25.4808 -25.4808 -22.3839 -22.3839 -22.3362 -22.3362 -22.3273 -22.3273 -22.2781 -22.2781 -3.2936 -3.2936 -3.2886 -3.2886 -2.2912 -2.2912 -2.2537 -2.2537 -2.2508 -2.2508 9.4135 9.4135 13.0481 13.0481 14.0777 14.0777 14.4239 14.4239 14.8794 14.8794 15.5622 15.5622 15.9950 15.9950 16.0724 16.0724 16.3877 16.3877 17.0103 17.0103 17.2066 17.2066 17.2568 17.2568 18.2952 18.2952 18.5061 18.5061 18.8104 18.8104 19.0879 19.0879 20.5174 20.5174 20.8012 20.8012 22.1001 22.1001 k = 0.2153 0.1243 0.3515 ( 4846 PWs) bands (ev): -52.9039 -52.9039 -52.8893 -52.8893 -25.5260 -25.5260 -25.4793 -25.4793 -22.3845 -22.3845 -22.3393 -22.3393 -22.3241 -22.3241 -22.2774 -22.2774 -3.2934 -3.2934 -3.2885 -3.2885 -2.2910 -2.2910 -2.2536 -2.2536 -2.2508 -2.2508 9.3516 9.3516 13.0501 13.0501 14.0454 14.0454 14.4311 14.4311 14.8772 14.8772 15.5095 15.5095 16.0265 16.0265 16.1007 16.1007 16.4282 16.4282 17.0245 17.0245 17.2400 17.2400 17.2902 17.2902 18.3077 18.3077 18.5140 18.5140 18.8107 18.8107 19.0903 19.0903 20.6351 20.6351 20.8822 20.8822 22.1936 22.1936 k = 0.2083 0.1203 0.3402 ( 4848 PWs) bands (ev): -52.9043 -52.9043 -52.8889 -52.8889 -25.5273 -25.5273 -25.4778 -25.4778 -22.3850 -22.3850 -22.3423 -22.3423 -22.3210 -22.3210 -22.2768 -22.2768 -3.2932 -3.2932 -3.2884 -3.2884 -2.2908 -2.2908 -2.2536 -2.2536 -2.2508 -2.2508 9.2890 9.2890 13.0556 13.0556 14.0146 14.0146 14.4300 14.4300 14.8722 14.8722 15.4571 15.4571 16.0632 16.0632 16.1318 16.1318 16.4691 16.4691 17.0419 17.0419 17.2667 17.2667 17.3327 17.3327 18.3204 18.3204 18.5213 18.5213 18.8131 18.8131 19.0926 19.0926 20.7527 20.7527 20.9666 20.9666 22.2855 22.2855 k = 0.2014 0.1163 0.3289 ( 4834 PWs) bands (ev): -52.9047 -52.9047 -52.8884 -52.8884 -25.5286 -25.5286 -25.4763 -25.4763 -22.3856 -22.3856 -22.3453 -22.3453 -22.3178 -22.3178 -22.2761 -22.2761 -3.2930 -3.2930 -3.2883 -3.2883 -2.2906 -2.2906 -2.2535 -2.2535 -2.2508 -2.2508 9.2261 9.2261 13.0644 13.0644 13.9854 13.9854 14.4213 14.4213 14.8644 14.8644 15.4052 15.4052 16.1044 16.1044 16.1654 16.1654 16.5091 16.5091 17.0636 17.0636 17.2901 17.2901 17.3805 17.3805 18.3333 18.3333 18.5282 18.5282 18.8175 18.8175 19.0948 19.0948 20.8692 20.8692 21.0546 21.0546 22.3754 22.3754 k = 0.1944 0.1123 0.3175 ( 4844 PWs) bands (ev): -52.9052 -52.9052 -52.8880 -52.8880 -25.5299 -25.5299 -25.4750 -25.4750 -22.3861 -22.3861 -22.3483 -22.3483 -22.3148 -22.3148 -22.2755 -22.2755 -3.2928 -3.2928 -3.2882 -3.2882 -2.2904 -2.2904 -2.2535 -2.2535 -2.2509 -2.2509 9.1630 9.1630 13.0762 13.0762 13.9577 13.9577 14.4059 14.4059 14.8542 14.8542 15.3539 15.3539 16.1477 16.1477 16.2023 16.2023 16.5468 16.5468 17.0907 17.0907 17.3129 17.3129 17.4310 17.4310 18.3464 18.3464 18.5346 18.5346 18.8238 18.8238 19.0969 19.0969 20.9839 20.9839 21.1461 21.1461 22.4631 22.4631 k = 0.1875 0.1083 0.3062 ( 4852 PWs) bands (ev): -52.9056 -52.9056 -52.8876 -52.8876 -25.5313 -25.5313 -25.4735 -25.4735 -22.3867 -22.3867 -22.3512 -22.3512 -22.3118 -22.3118 -22.2749 -22.2749 -3.2926 -3.2926 -3.2882 -3.2882 -2.2902 -2.2902 -2.2534 -2.2534 -2.2509 -2.2509 9.1000 9.1000 13.0909 13.0909 13.9316 13.9316 14.3849 14.3849 14.8419 14.8419 15.3031 15.3031 16.1900 16.1900 16.2443 16.2443 16.5812 16.5812 17.1239 17.1239 17.3368 17.3368 17.4829 17.4829 18.3596 18.3596 18.5405 18.5405 18.8319 18.8319 19.0988 19.0988 21.0955 21.0955 21.2413 21.2413 22.5482 22.5482 k = 0.1806 0.1042 0.2948 ( 4850 PWs) bands (ev): -52.9060 -52.9060 -52.8872 -52.8872 -25.5326 -25.5326 -25.4721 -25.4721 -22.3873 -22.3873 -22.3541 -22.3541 -22.3088 -22.3088 -22.2742 -22.2742 -3.2923 -3.2923 -3.2881 -3.2881 -2.2899 -2.2899 -2.2534 -2.2534 -2.2510 -2.2510 9.0375 9.0375 13.1082 13.1082 13.9072 13.9072 14.3593 14.3593 14.8277 14.8277 15.2530 15.2530 16.2287 16.2287 16.2921 16.2921 16.6114 16.6114 17.1635 17.1635 17.3627 17.3627 17.5358 17.5358 18.3728 18.3728 18.5459 18.5459 18.8417 18.8417 19.1007 19.1007 21.2022 21.2022 21.3401 21.3401 22.6292 22.6292 k = 0.1736 0.1002 0.2835 ( 4844 PWs) bands (ev): -52.9064 -52.9064 -52.8868 -52.8868 -25.5338 -25.5338 -25.4708 -25.4708 -22.3878 -22.3878 -22.3568 -22.3568 -22.3058 -22.3058 -22.2736 -22.2736 -3.2921 -3.2921 -3.2880 -3.2880 -2.2897 -2.2897 -2.2534 -2.2534 -2.2510 -2.2510 8.9756 8.9756 13.1280 13.1280 13.8843 13.8843 14.3299 14.3299 14.8120 14.8120 15.2037 15.2037 16.2639 16.2639 16.3441 16.3441 16.6370 16.6370 17.2089 17.2089 17.3920 17.3920 17.5893 17.5893 18.3861 18.3861 18.5509 18.5509 18.8530 18.8530 19.1024 19.1024 21.3017 21.3017 21.4425 21.4425 22.6950 22.6950 k = 0.1667 0.0962 0.2722 ( 4848 PWs) bands (ev): -52.9068 -52.9068 -52.8864 -52.8864 -25.5350 -25.5350 -25.4695 -25.4695 -22.3883 -22.3883 -22.3596 -22.3596 -22.3030 -22.3030 -22.2730 -22.2730 -3.2918 -3.2918 -3.2880 -3.2880 -2.2895 -2.2895 -2.2533 -2.2533 -2.2511 -2.2511 8.9146 8.9146 13.1499 13.1499 13.8630 13.8630 14.2978 14.2978 14.7950 14.7950 15.1551 15.1551 16.2969 16.2969 16.3972 16.3972 16.6583 16.6583 17.2592 17.2592 17.4258 17.4258 17.6432 17.6432 18.3994 18.3994 18.5555 18.5555 18.8657 18.8657 19.1040 19.1040 21.3905 21.3905 21.5488 21.5488 22.6821 22.6821 k = 0.1597 0.0922 0.2608 ( 4852 PWs) bands (ev): -52.9072 -52.9072 -52.8860 -52.8860 -25.5362 -25.5362 -25.4682 -25.4682 -22.3888 -22.3888 -22.3623 -22.3623 -22.3002 -22.3002 -22.2724 -22.2724 -3.2916 -3.2916 -3.2879 -3.2879 -2.2893 -2.2893 -2.2533 -2.2533 -2.2511 -2.2511 8.8548 8.8548 13.1737 13.1737 13.8433 13.8433 14.2637 14.2637 14.7770 14.7770 15.1074 15.1074 16.3283 16.3283 16.4490 16.4490 16.6755 16.6755 17.3131 17.3131 17.4654 17.4654 17.6973 17.6973 18.4126 18.4126 18.5598 18.5598 18.8793 18.8793 19.1054 19.1054 21.4644 21.4644 21.6590 21.6590 22.6450 22.6450 k = 0.1528 0.0882 0.2495 ( 4850 PWs) bands (ev): -52.9076 -52.9076 -52.8857 -52.8857 -25.5374 -25.5374 -25.4669 -25.4669 -22.3893 -22.3893 -22.3649 -22.3649 -22.2974 -22.2974 -22.2718 -22.2718 -3.2913 -3.2913 -3.2879 -3.2879 -2.2890 -2.2890 -2.2532 -2.2532 -2.2512 -2.2512 8.7962 8.7962 13.1992 13.1992 13.8252 13.8252 14.2282 14.2282 14.7582 14.7582 15.0606 15.0606 16.3585 16.3585 16.4980 16.4980 16.6893 16.6893 17.3691 17.3691 17.5119 17.5119 17.7515 17.7515 18.4257 18.4257 18.5636 18.5636 18.8938 18.8938 19.1067 19.1067 21.5185 21.5185 21.7730 21.7730 22.6227 22.6227 k = 0.1458 0.0842 0.2381 ( 4846 PWs) bands (ev): -52.9079 -52.9079 -52.8853 -52.8853 -25.5385 -25.5385 -25.4656 -25.4656 -22.3898 -22.3898 -22.3674 -22.3674 -22.2947 -22.2947 -22.2712 -22.2712 -3.2911 -3.2911 -3.2878 -3.2878 -2.2888 -2.2888 -2.2532 -2.2532 -2.2513 -2.2513 8.7392 8.7392 13.2263 13.2263 13.8086 13.8086 14.1919 14.1919 14.7388 14.7388 15.0149 15.0149 16.3878 16.3878 16.5425 16.5425 16.7004 16.7004 17.4267 17.4267 17.5656 17.5656 17.8056 17.8056 18.4386 18.4386 18.5671 18.5671 18.9089 18.9089 19.1077 19.1077 21.5487 21.5487 21.8908 21.8908 22.6224 22.6224 k = 0.1389 0.0802 0.2268 ( 4846 PWs) bands (ev): -52.9083 -52.9083 -52.8850 -52.8850 -25.5397 -25.5397 -25.4644 -25.4644 -22.3903 -22.3903 -22.3698 -22.3698 -22.2921 -22.2921 -22.2707 -22.2707 -3.2908 -3.2908 -3.2878 -3.2878 -2.2886 -2.2886 -2.2531 -2.2531 -2.2514 -2.2514 8.6838 8.6838 13.2546 13.2546 13.7936 13.7936 14.1554 14.1554 14.7191 14.7191 14.9702 14.9702 16.4160 16.4160 16.5818 16.5818 16.7093 16.7093 17.4856 17.4856 17.6256 17.6256 17.8595 17.8595 18.4513 18.4513 18.5702 18.5702 18.9244 18.9244 19.1086 19.1086 21.5536 21.5536 22.0120 22.0120 22.6464 22.6464 k = 0.1319 0.0762 0.2155 ( 4850 PWs) bands (ev): -52.9086 -52.9086 -52.8846 -52.8846 -25.5407 -25.5407 -25.4633 -25.4633 -22.3908 -22.3908 -22.3722 -22.3722 -22.2896 -22.2896 -22.2701 -22.2701 -3.2905 -3.2905 -3.2878 -3.2878 -2.2884 -2.2884 -2.2531 -2.2531 -2.2514 -2.2514 8.6303 8.6303 13.2838 13.2838 13.7800 13.7800 14.1190 14.1190 14.6991 14.6991 14.9267 14.9267 16.4433 16.4433 16.6154 16.6154 16.7165 16.7165 17.5465 17.5465 17.6906 17.6906 17.9131 17.9131 18.4637 18.4637 18.5730 18.5730 18.9400 18.9400 19.1092 19.1092 21.5353 21.5353 22.1366 22.1366 22.6928 22.6928 k = 0.1250 0.0722 0.2041 ( 4858 PWs) bands (ev): -52.9090 -52.9090 -52.8843 -52.8843 -25.5418 -25.5418 -25.4622 -25.4622 -22.3912 -22.3912 -22.3744 -22.3744 -22.2872 -22.2872 -22.2696 -22.2696 -3.2903 -3.2903 -3.2877 -3.2877 -2.2882 -2.2882 -2.2530 -2.2530 -2.2515 -2.2515 8.5787 8.5787 13.3139 13.3139 13.7679 13.7679 14.0831 14.0831 14.6792 14.6792 14.8843 14.8843 16.4694 16.4694 16.6429 16.6429 16.7226 16.7226 17.6098 17.6098 17.7590 17.7590 17.9661 17.9661 18.4758 18.4758 18.5756 18.5756 18.9555 18.9555 19.1096 19.1096 21.4986 21.4986 22.2641 22.2641 22.7569 22.7569 k = 0.1181 0.0682 0.1928 ( 4850 PWs) bands (ev): -52.9093 -52.9093 -52.8840 -52.8840 -25.5427 -25.5427 -25.4611 -25.4611 -22.3916 -22.3916 -22.3766 -22.3766 -22.2848 -22.2848 -22.2691 -22.2691 -3.2901 -3.2901 -3.2877 -3.2877 -2.2880 -2.2880 -2.2530 -2.2530 -2.2516 -2.2516 8.5292 8.5292 13.3445 13.3445 13.7572 13.7572 14.0480 14.0480 14.6594 14.6594 14.8434 14.8434 16.4945 16.4945 16.6647 16.6647 16.7279 16.7279 17.6755 17.6755 17.8291 17.8291 18.0184 18.0184 18.4876 18.4876 18.5779 18.5779 18.9706 18.9706 19.1098 19.1098 21.4488 21.4488 22.3941 22.3941 22.8331 22.8331 k = 0.1111 0.0642 0.1814 ( 4850 PWs) bands (ev): -52.9096 -52.9096 -52.8837 -52.8837 -25.5437 -25.5437 -25.4601 -25.4601 -22.3920 -22.3920 -22.3787 -22.3787 -22.2826 -22.2826 -22.2686 -22.2686 -3.2898 -3.2898 -3.2877 -3.2877 -2.2878 -2.2878 -2.2530 -2.2530 -2.2517 -2.2517 8.4820 8.4820 13.3753 13.3753 13.7479 13.7479 14.0140 14.0140 14.6398 14.6398 14.8038 14.8038 16.5184 16.5184 16.6810 16.6810 16.7329 16.7329 17.7435 17.7435 17.8997 17.8997 18.0700 18.0700 18.4989 18.4989 18.5799 18.5799 18.9853 18.9853 19.1097 19.1097 21.3907 21.3907 22.5260 22.5260 22.9160 22.9160 k = 0.1042 0.0601 0.1701 ( 4846 PWs) bands (ev): -52.9099 -52.9099 -52.8834 -52.8834 -25.5446 -25.5446 -25.4591 -25.4591 -22.3924 -22.3924 -22.3806 -22.3806 -22.2805 -22.2805 -22.2681 -22.2681 -3.2896 -3.2896 -3.2877 -3.2877 -2.2876 -2.2876 -2.2529 -2.2529 -2.2518 -2.2518 8.4372 8.4372 13.4061 13.4061 13.7399 13.7399 13.9813 13.9813 14.6207 14.6207 14.7657 14.7657 16.5411 16.5411 16.6924 16.6924 16.7377 16.7377 17.8131 17.8131 17.9697 17.9697 18.1207 18.1207 18.5098 18.5098 18.5818 18.5818 18.9993 18.9993 19.1094 19.1094 21.3279 21.3279 22.6589 22.6589 23.0013 23.0013 k = 0.0972 0.0561 0.1588 ( 4859 PWs) bands (ev): -52.9101 -52.9101 -52.8832 -52.8832 -25.5455 -25.5455 -25.4582 -25.4582 -22.3929 -22.3929 -22.3825 -22.3825 -22.2785 -22.2785 -22.2676 -22.2676 -3.2894 -3.2894 -3.2877 -3.2877 -2.2874 -2.2874 -2.2529 -2.2529 -2.2518 -2.2518 8.3947 8.3947 13.4366 13.4366 13.7332 13.7332 13.9502 13.9502 14.6021 14.6021 14.7292 14.7292 16.5625 16.5625 16.6998 16.6998 16.7422 16.7422 17.8836 17.8836 18.0381 18.0381 18.1704 18.1704 18.5202 18.5202 18.5834 18.5834 19.0124 19.0124 19.1087 19.1087 21.2632 21.2632 22.7914 22.7914 23.0853 23.0853 k = 0.0903 0.0521 0.1474 ( 4867 PWs) bands (ev): -52.9104 -52.9104 -52.8829 -52.8829 -25.5463 -25.5463 -25.4573 -25.4573 -22.3932 -22.3932 -22.3842 -22.3842 -22.2767 -22.2767 -22.2673 -22.2673 -3.2891 -3.2891 -3.2877 -3.2877 -2.2873 -2.2873 -2.2528 -2.2528 -2.2519 -2.2519 8.3549 8.3549 13.4665 13.4665 13.7277 13.7277 13.9208 13.9208 14.5841 14.5841 14.6944 14.6944 16.5825 16.5825 16.7043 16.7043 16.7462 16.7462 17.9541 17.9541 18.1040 18.1040 18.2191 18.2191 18.5301 18.5301 18.5849 18.5849 19.0245 19.0245 19.1078 19.1078 21.1985 21.1985 22.9210 22.9210 23.1659 23.1659 k = 0.0833 0.0481 0.1361 ( 4867 PWs) bands (ev): -52.9106 -52.9106 -52.8827 -52.8827 -25.5470 -25.5470 -25.4565 -25.4565 -22.3935 -22.3935 -22.3859 -22.3859 -22.2749 -22.2749 -22.2669 -22.2669 -3.2889 -3.2889 -3.2877 -3.2877 -2.2871 -2.2871 -2.2528 -2.2528 -2.2520 -2.2520 8.3176 8.3176 13.4955 13.4955 13.7234 13.7234 13.8933 13.8933 14.5668 14.5668 14.6614 14.6614 16.6011 16.6011 16.7067 16.7067 16.7495 16.7495 18.0238 18.0238 18.1665 18.1665 18.2670 18.2670 18.5394 18.5394 18.5863 18.5863 19.0355 19.0355 19.1065 19.1065 21.1353 21.1353 23.0426 23.0426 23.2441 23.2441 k = 0.0764 0.0441 0.1247 ( 4879 PWs) bands (ev): -52.9108 -52.9108 -52.8825 -52.8825 -25.5477 -25.5477 -25.4558 -25.4558 -22.3939 -22.3939 -22.3874 -22.3874 -22.2733 -22.2733 -22.2665 -22.2665 -3.2887 -3.2887 -3.2877 -3.2877 -2.2869 -2.2869 -2.2527 -2.2527 -2.2521 -2.2521 8.2831 8.2831 13.5231 13.5231 13.7202 13.7202 13.8679 13.8679 14.5504 14.5504 14.6303 14.6303 16.6182 16.6182 16.7078 16.7078 16.7521 16.7521 18.0918 18.0918 18.2247 18.2247 18.3141 18.3141 18.5481 18.5481 18.5876 18.5876 19.0453 19.0453 19.1049 19.1049 21.0747 21.0747 23.1468 23.1468 23.3264 23.3264 k = 0.0694 0.0401 0.1134 ( 4875 PWs) bands (ev): -52.9110 -52.9110 -52.8823 -52.8823 -25.5484 -25.5484 -25.4551 -25.4551 -22.3942 -22.3942 -22.3888 -22.3888 -22.2718 -22.2718 -22.2661 -22.2661 -3.2886 -3.2886 -3.2877 -3.2877 -2.2868 -2.2868 -2.2527 -2.2527 -2.2521 -2.2521 8.2514 8.2514 13.5491 13.5491 13.7181 13.7181 13.8447 13.8447 14.5348 14.5348 14.6013 14.6013 16.6337 16.6337 16.7079 16.7079 16.7541 16.7541 18.1573 18.1573 18.2776 18.2776 18.3606 18.3606 18.5563 18.5563 18.5887 18.5887 19.0538 19.0538 19.1030 19.1030 21.0175 21.0175 23.2229 23.2229 23.4219 23.4219 k = 0.0625 0.0361 0.1021 ( 4869 PWs) bands (ev): -52.9112 -52.9112 -52.8821 -52.8821 -25.5489 -25.5489 -25.4545 -25.4545 -22.3944 -22.3944 -22.3900 -22.3900 -22.2704 -22.2704 -22.2658 -22.2658 -3.2884 -3.2884 -3.2877 -3.2877 -2.2867 -2.2867 -2.2527 -2.2527 -2.2522 -2.2522 8.2225 8.2225 13.5729 13.5729 13.7171 13.7171 13.8239 13.8239 14.5204 14.5204 14.5744 14.5744 16.6475 16.6475 16.7074 16.7074 16.7556 16.7556 18.2194 18.2194 18.3248 18.3248 18.4064 18.4064 18.5639 18.5639 18.5898 18.5898 19.0609 19.0609 19.1008 19.1008 20.9644 20.9644 23.2721 23.2721 23.5281 23.5281 k = 0.0556 0.0321 0.0907 ( 4877 PWs) bands (ev): -52.9114 -52.9114 -52.8820 -52.8820 -25.5494 -25.5494 -25.4539 -25.4539 -22.3946 -22.3946 -22.3912 -22.3912 -22.2692 -22.2692 -22.2656 -22.2656 -3.2883 -3.2883 -3.2877 -3.2877 -2.2866 -2.2866 -2.2526 -2.2526 -2.2523 -2.2523 8.1965 8.1965 13.5939 13.5939 13.7174 13.7174 13.8056 13.8056 14.5070 14.5070 14.5499 14.5499 16.6597 16.6597 16.7064 16.7064 16.7568 16.7568 18.2772 18.2772 18.3661 18.3661 18.4509 18.4509 18.5709 18.5709 18.5909 18.5909 19.0667 19.0667 19.0983 19.0983 20.9160 20.9160 23.3034 23.3034 23.6350 23.6350 k = 0.0486 0.0281 0.0794 ( 4877 PWs) bands (ev): -52.9115 -52.9115 -52.8818 -52.8818 -25.5499 -25.5499 -25.4534 -25.4534 -22.3949 -22.3949 -22.3922 -22.3922 -22.2680 -22.2680 -22.2653 -22.2653 -3.2881 -3.2881 -3.2877 -3.2877 -2.2865 -2.2865 -2.2526 -2.2526 -2.2523 -2.2523 8.1735 8.1735 13.6116 13.6116 13.7191 13.7191 13.7899 13.7899 14.4949 14.4949 14.5278 14.5278 16.6701 16.6701 16.7053 16.7053 16.7579 16.7579 18.3301 18.3301 18.4017 18.4017 18.4932 18.4932 18.5775 18.5775 18.5920 18.5920 19.0711 19.0711 19.0955 19.0955 20.8725 20.8725 23.3234 23.3234 23.7343 23.7343 k = 0.0417 0.0241 0.0680 ( 4897 PWs) bands (ev): -52.9117 -52.9117 -52.8817 -52.8817 -25.5504 -25.5504 -25.4530 -25.4530 -22.3951 -22.3951 -22.3931 -22.3931 -22.2671 -22.2671 -22.2651 -22.2651 -3.2880 -3.2880 -3.2877 -3.2877 -2.2864 -2.2864 -2.2526 -2.2526 -2.2524 -2.2524 8.1534 8.1534 13.6256 13.6256 13.7224 13.7224 13.7770 13.7770 14.4841 14.4841 14.5083 14.5083 16.6787 16.6787 16.7040 16.7040 16.7590 16.7590 18.3773 18.3773 18.4319 18.4319 18.5321 18.5321 18.5838 18.5838 18.5932 18.5932 19.0744 19.0744 19.0925 19.0925 20.8343 20.8343 23.3357 23.3357 23.8204 23.8204 k = 0.0347 0.0200 0.0567 ( 4905 PWs) bands (ev): -52.9118 -52.9118 -52.8816 -52.8816 -25.5507 -25.5507 -25.4526 -25.4526 -22.3952 -22.3952 -22.3939 -22.3939 -22.2663 -22.2663 -22.2649 -22.2649 -3.2879 -3.2879 -3.2877 -3.2877 -2.2863 -2.2863 -2.2526 -2.2526 -2.2524 -2.2524 8.1364 8.1364 13.6355 13.6355 13.7270 13.7270 13.7666 13.7666 14.4747 14.4747 14.4916 14.4916 16.6856 16.6856 16.7028 16.7028 16.7601 16.7601 18.4180 18.4180 18.4571 18.4571 18.5654 18.5654 18.5911 18.5911 18.5945 18.5945 19.0766 19.0766 19.0894 19.0894 20.8017 20.8017 23.3429 23.3429 23.8903 23.8903 k = 0.0278 0.0160 0.0454 ( 4917 PWs) bands (ev): -52.9119 -52.9119 -52.8815 -52.8815 -25.5510 -25.5510 -25.4524 -25.4524 -22.3954 -22.3954 -22.3945 -22.3945 -22.2657 -22.2657 -22.2648 -22.2648 -3.2878 -3.2878 -3.2877 -3.2877 -2.2862 -2.2862 -2.2525 -2.2525 -2.2524 -2.2524 8.1224 8.1224 13.6419 13.6419 13.7325 13.7325 13.7588 13.7588 14.4668 14.4668 14.4777 14.4777 16.6910 16.6910 16.7017 16.7017 16.7613 16.7613 18.4518 18.4518 18.4773 18.4773 18.5855 18.5855 18.5955 18.5955 18.6065 18.6065 19.0780 19.0780 19.0864 19.0864 20.7749 20.7749 23.3465 23.3465 23.9434 23.9434 k = 0.0208 0.0120 0.0340 ( 4913 PWs) bands (ev): -52.9119 -52.9119 -52.8814 -52.8814 -25.5513 -25.5513 -25.4521 -25.4521 -22.3955 -22.3955 -22.3950 -22.3950 -22.2652 -22.2652 -22.2647 -22.2647 -3.2878 -3.2878 -3.2877 -3.2877 -2.2862 -2.2862 -2.2525 -2.2525 -2.2525 -2.2525 8.1115 8.1115 13.6454 13.6454 13.7380 13.7380 13.7531 13.7531 14.4606 14.4606 14.4667 14.4667 16.6948 16.6948 16.7007 16.7007 16.7624 16.7624 18.4782 18.4782 18.4927 18.4927 18.5926 18.5926 18.5968 18.5968 18.6282 18.6282 19.0787 19.0787 19.0835 19.0835 20.7539 20.7539 23.3479 23.3479 23.9812 23.9813 k = 0.0139 0.0080 0.0227 ( 4909 PWs) bands (ev): -52.9120 -52.9120 -52.8814 -52.8814 -25.5514 -25.5514 -25.4519 -25.4519 -22.3955 -22.3955 -22.3953 -22.3953 -22.2648 -22.2648 -22.2646 -22.2646 -3.2877 -3.2877 -3.2877 -3.2877 -2.2862 -2.2862 -2.2525 -2.2525 -2.2525 -2.2525 8.1037 8.1037 13.6471 13.6471 13.7426 13.7426 13.7495 13.7495 14.4561 14.4561 14.4588 14.4588 16.6974 16.6974 16.7000 16.7000 16.7633 16.7633 18.4970 18.4970 18.5035 18.5035 18.5964 18.5964 18.5981 18.5981 18.6459 18.6459 19.0790 19.0790 19.0812 19.0812 20.7388 20.7388 23.3481 23.3481 24.0063 24.0073 k = 0.0069 0.0040 0.0113 ( 4909 PWs) bands (ev): -52.9120 -52.9120 -52.8814 -52.8814 -25.5515 -25.5515 -25.4518 -25.4518 -22.3956 -22.3956 -22.3955 -22.3955 -22.2646 -22.2646 -22.2645 -22.2645 -3.2877 -3.2877 -3.2877 -3.2877 -2.2861 -2.2861 -2.2525 -2.2525 -2.2525 -2.2525 8.0990 8.0990 13.6478 13.6478 13.7456 13.7456 13.7474 13.7474 14.4533 14.4533 14.4540 14.4540 16.6989 16.6989 16.6995 16.6995 16.7640 16.7640 18.5082 18.5082 18.5099 18.5099 18.5986 18.5986 18.5990 18.5990 18.6571 18.6571 19.0791 19.0791 19.0797 19.0797 20.7297 20.7297 23.3480 23.3480 24.0205 24.0211 k = 0.0000 0.0000 0.0000 ( 4909 PWs) bands (ev): -52.9120 -52.9120 -52.8813 -52.8813 -25.5515 -25.5515 -25.4518 -25.4518 -22.3956 -22.3956 -22.3956 -22.3956 -22.2645 -22.2645 -22.2645 -22.2645 -3.2877 -3.2877 -3.2877 -3.2877 -2.2861 -2.2861 -2.2525 -2.2525 -2.2525 -2.2525 8.0975 8.0975 13.6480 13.6480 13.7467 13.7467 13.7467 13.7467 14.4524 14.4524 14.4524 14.4524 16.6994 16.6994 16.6994 16.6994 16.7642 16.7642 18.5120 18.5120 18.5120 18.5120 18.5993 18.5993 18.5993 18.5993 18.6609 18.6609 19.0791 19.0791 19.0791 19.0791 20.7267 20.7267 23.3479 23.3479 24.0250 24.0250 k = 0.0000 0.0000 0.0000 ( 4909 PWs) bands (ev): -52.9120 -52.9120 -52.8813 -52.8813 -25.5515 -25.5515 -25.4518 -25.4518 -22.3956 -22.3956 -22.3956 -22.3956 -22.2645 -22.2645 -22.2645 -22.2645 -3.2877 -3.2877 -3.2877 -3.2877 -2.2861 -2.2861 -2.2525 -2.2525 -2.2525 -2.2525 8.0975 8.0975 13.6480 13.6480 13.7467 13.7467 13.7467 13.7467 14.4524 14.4524 14.4524 14.4524 16.6994 16.6994 16.6994 16.6994 16.7642 16.7642 18.5120 18.5120 18.5120 18.5120 18.5993 18.5993 18.5993 18.5993 18.6609 18.6609 19.0791 19.0791 19.0791 19.0791 20.7267 20.7267 23.3479 23.3479 24.0250 24.0250 k = 0.0114 0.0066 0.0046 ( 4909 PWs) bands (ev): -52.9120 -52.9120 -52.8814 -52.8814 -25.5515 -25.5515 -25.4518 -25.4518 -22.3956 -22.3956 -22.3956 -22.3956 -22.2645 -22.2645 -22.2645 -22.2645 -3.2877 -3.2877 -3.2877 -3.2877 -2.2861 -2.2861 -2.2525 -2.2525 -2.2525 -2.2525 8.0990 8.0990 13.6478 13.6478 13.7459 13.7459 13.7471 13.7471 14.4537 14.4537 14.4537 14.4537 16.6989 16.6989 16.6996 16.6996 16.7640 16.7640 18.5081 18.5081 18.5100 18.5100 18.5987 18.5987 18.5988 18.5988 18.6571 18.6571 19.0791 19.0791 19.0796 19.0796 20.7298 20.7298 23.3480 23.3480 24.0202 24.0205 k = 0.0227 0.0131 0.0093 ( 4909 PWs) bands (ev): -52.9120 -52.9120 -52.8814 -52.8814 -25.5514 -25.5514 -25.4519 -25.4519 -22.3954 -22.3954 -22.3954 -22.3954 -22.2647 -22.2647 -22.2647 -22.2647 -3.2877 -3.2877 -3.2877 -3.2877 -2.2862 -2.2862 -2.2525 -2.2525 -2.2525 -2.2525 8.1037 8.1037 13.6473 13.6473 13.7437 13.7437 13.7482 13.7482 14.4574 14.4574 14.4575 14.4575 16.6974 16.6974 16.7000 16.7000 16.7633 16.7633 18.4965 18.4965 18.5040 18.5040 18.5970 18.5970 18.5974 18.5974 18.6459 18.6459 19.0791 19.0791 19.0811 19.0811 20.7389 20.7389 23.3482 23.3482 24.0048 24.0049 k = 0.0341 0.0197 0.0139 ( 4915 PWs) bands (ev): -52.9119 -52.9119 -52.8814 -52.8814 -25.5513 -25.5513 -25.4521 -25.4521 -22.3952 -22.3952 -22.3952 -22.3952 -22.2650 -22.2650 -22.2649 -22.2649 -3.2878 -3.2878 -3.2877 -3.2877 -2.2862 -2.2862 -2.2525 -2.2525 -2.2525 -2.2525 8.1116 8.1116 13.6461 13.6461 13.7403 13.7403 13.7500 13.7500 14.4637 14.4637 14.4638 14.4638 16.6950 16.6950 16.7006 16.7006 16.7624 16.7624 18.4768 18.4768 18.4938 18.4938 18.5944 18.5944 18.5948 18.5948 18.6283 18.6283 19.0790 19.0790 19.0832 19.0832 20.7540 20.7540 23.3482 23.3482 23.9765 23.9765 k = 0.0455 0.0262 0.0186 ( 4909 PWs) bands (ev): -52.9119 -52.9119 -52.8815 -52.8815 -25.5510 -25.5510 -25.4523 -25.4523 -22.3949 -22.3949 -22.3949 -22.3949 -22.2653 -22.2653 -22.2652 -22.2652 -3.2878 -3.2878 -3.2877 -3.2877 -2.2862 -2.2862 -2.2525 -2.2525 -2.2524 -2.2524 8.1225 8.1225 13.6438 13.6438 13.7363 13.7363 13.7526 13.7526 14.4724 14.4724 14.4726 14.4726 16.6915 16.6915 16.7010 16.7010 16.7614 16.7614 18.4489 18.4489 18.4794 18.4794 18.5877 18.5877 18.5912 18.5912 18.6085 18.6085 19.0787 19.0787 19.0856 19.0856 20.7753 20.7753 23.3472 23.3472 23.9317 23.9317 k = 0.0568 0.0328 0.0232 ( 4909 PWs) bands (ev): -52.9118 -52.9118 -52.8816 -52.8816 -25.5507 -25.5507 -25.4527 -25.4527 -22.3946 -22.3946 -22.3945 -22.3945 -22.2657 -22.2657 -22.2656 -22.2656 -3.2879 -3.2879 -3.2876 -3.2876 -2.2863 -2.2863 -2.2526 -2.2526 -2.2524 -2.2524 8.1365 8.1365 13.6400 13.6400 13.7322 13.7322 13.7560 13.7560 14.4835 14.4835 14.4838 14.4838 16.6871 16.6871 16.7009 16.7009 16.7606 16.7606 18.4127 18.4127 18.4607 18.4607 18.5652 18.5652 18.5876 18.5876 18.5984 18.5984 19.0780 19.0780 19.0878 19.0878 20.8025 20.8025 23.3441 23.3441 23.8673 23.8673 k = 0.0682 0.0394 0.0278 ( 4888 PWs) bands (ev): -52.9117 -52.9117 -52.8817 -52.8817 -25.5503 -25.5503 -25.4530 -25.4530 -22.3941 -22.3941 -22.3940 -22.3940 -22.2662 -22.2662 -22.2660 -22.2660 -3.2880 -3.2880 -3.2876 -3.2876 -2.2864 -2.2864 -2.2526 -2.2526 -2.2523 -2.2523 8.1536 8.1536 13.6339 13.6339 13.7290 13.7290 13.7603 13.7603 14.4970 14.4970 14.4973 14.4973 16.6817 16.6817 16.6999 16.6999 16.7602 16.7602 18.3683 18.3683 18.4379 18.4379 18.5317 18.5317 18.5839 18.5839 18.5946 18.5946 19.0767 19.0767 19.0895 19.0895 20.8356 20.8356 23.3366 23.3366 23.7835 23.7835 k = 0.0795 0.0459 0.0325 ( 4876 PWs) bands (ev): -52.9115 -52.9115 -52.8818 -52.8818 -25.5499 -25.5499 -25.4534 -25.4534 -22.3936 -22.3936 -22.3934 -22.3934 -22.2669 -22.2669 -22.2665 -22.2665 -3.2882 -3.2882 -3.2876 -3.2876 -2.2865 -2.2865 -2.2526 -2.2526 -2.2523 -2.2523 8.1738 8.1738 13.6249 13.6249 13.7275 13.7275 13.7654 13.7654 14.5127 14.5127 14.5132 14.5132 16.6753 16.6753 16.6975 16.6975 16.7605 16.7605 18.3157 18.3157 18.4112 18.4112 18.4931 18.4931 18.5800 18.5800 18.5919 18.5919 19.0748 19.0748 19.0902 19.0902 20.8745 20.8745 23.3197 23.3197 23.6865 23.6865 k = 0.0909 0.0525 0.0371 ( 4873 PWs) bands (ev): -52.9114 -52.9114 -52.8820 -52.8820 -25.5494 -25.5494 -25.4539 -25.4539 -22.3929 -22.3929 -22.3928 -22.3928 -22.2676 -22.2676 -22.2671 -22.2671 -3.2883 -3.2883 -3.2876 -3.2876 -2.2866 -2.2866 -2.2527 -2.2527 -2.2522 -2.2522 8.1969 8.1969 13.6129 13.6129 13.7279 13.7279 13.7714 13.7714 14.5306 14.5306 14.5313 14.5313 16.6680 16.6680 16.6935 16.6935 16.7617 16.7617 18.2557 18.2557 18.3809 18.3809 18.4511 18.4511 18.5761 18.5761 18.5894 18.5894 19.0719 19.0719 19.0898 19.0898 20.9190 20.9190 23.2826 23.2826 23.5908 23.5908 k = 0.1023 0.0590 0.0418 ( 4873 PWs) bands (ev): -52.9112 -52.9112 -52.8821 -52.8821 -25.5489 -25.5489 -25.4545 -25.4545 -22.3922 -22.3922 -22.3921 -22.3921 -22.2684 -22.2684 -22.2679 -22.2679 -3.2885 -3.2885 -3.2876 -3.2876 -2.2867 -2.2867 -2.2527 -2.2527 -2.2522 -2.2522 8.2230 8.2230 13.5978 13.5978 13.7305 13.7305 13.7783 13.7783 14.5506 14.5506 14.5516 14.5516 16.6597 16.6597 16.6878 16.6878 16.7635 16.7635 18.1887 18.1887 18.3472 18.3472 18.4063 18.4063 18.5720 18.5720 18.5869 18.5869 19.0681 19.0681 19.0880 19.0880 20.9686 20.9686 23.2085 23.2085 23.5179 23.5179 k = 0.1136 0.0656 0.0464 ( 4870 PWs) bands (ev): -52.9110 -52.9110 -52.8823 -52.8823 -25.5483 -25.5483 -25.4551 -25.4551 -22.3915 -22.3915 -22.3913 -22.3913 -22.2693 -22.2693 -22.2687 -22.2687 -3.2886 -3.2886 -3.2876 -3.2876 -2.2868 -2.2868 -2.2528 -2.2528 -2.2521 -2.2521 8.2520 8.2520 13.5800 13.5800 13.7352 13.7352 13.7862 13.7862 14.5727 14.5727 14.5739 14.5739 16.6504 16.6504 16.6805 16.6805 16.7658 16.7658 18.1156 18.1156 18.3104 18.3104 18.3591 18.3591 18.5678 18.5678 18.5843 18.5843 19.0633 19.0633 19.0847 19.0847 21.0230 21.0230 23.0932 23.0932 23.4761 23.4761 k = 0.1250 0.0722 0.0510 ( 4864 PWs) bands (ev): -52.9108 -52.9108 -52.8825 -52.8825 -25.5477 -25.5477 -25.4558 -25.4558 -22.3906 -22.3906 -22.3905 -22.3905 -22.2703 -22.2703 -22.2695 -22.2695 -3.2888 -3.2888 -3.2876 -3.2876 -2.2869 -2.2869 -2.2528 -2.2528 -2.2520 -2.2520 8.2838 8.2838 13.5599 13.5599 13.7416 13.7416 13.7951 13.7951 14.5967 14.5967 14.5982 14.5982 16.6402 16.6402 16.6717 16.6717 16.7682 16.7682 18.0374 18.0374 18.2708 18.2708 18.3098 18.3098 18.5635 18.5635 18.5817 18.5817 19.0572 19.0572 19.0796 19.0796 21.0815 21.0815 22.9509 22.9509 23.4545 23.4545 k = 0.1364 0.0787 0.0557 ( 4864 PWs) bands (ev): -52.9106 -52.9106 -52.8827 -52.8827 -25.5470 -25.5470 -25.4565 -25.4565 -22.3897 -22.3897 -22.3896 -22.3896 -22.2714 -22.2714 -22.2705 -22.2705 -3.2890 -3.2890 -3.2875 -3.2875 -2.2871 -2.2871 -2.2528 -2.2528 -2.2519 -2.2519 8.3184 8.3184 13.5378 13.5378 13.7497 13.7497 13.8050 13.8050 14.6225 14.6225 14.6243 14.6243 16.6291 16.6291 16.6616 16.6616 16.7701 16.7701 17.9551 17.9551 18.2287 18.2287 18.2586 18.2586 18.5592 18.5592 18.5791 18.5791 19.0500 19.0500 19.0729 19.0729 21.1433 21.1433 22.7955 22.7955 23.4422 23.4422 k = 0.1477 0.0853 0.0603 ( 4864 PWs) bands (ev): -52.9104 -52.9104 -52.8830 -52.8830 -25.5462 -25.5462 -25.4574 -25.4574 -22.3887 -22.3887 -22.3886 -22.3886 -22.2726 -22.2726 -22.2715 -22.2715 -3.2893 -3.2893 -3.2875 -3.2875 -2.2872 -2.2872 -2.2529 -2.2529 -2.2518 -2.2518 8.3558 8.3558 13.5142 13.5142 13.7593 13.7593 13.8160 13.8160 14.6500 14.6500 14.6523 14.6523 16.6171 16.6171 16.6501 16.6501 16.7712 16.7712 17.8698 17.8698 18.1843 18.1843 18.2057 18.2057 18.5548 18.5548 18.5764 18.5764 19.0415 19.0415 19.0644 19.0644 21.2071 21.2071 22.6345 22.6345 23.4342 23.4342 k = 0.1591 0.0919 0.0649 ( 4858 PWs) bands (ev): -52.9101 -52.9101 -52.8832 -52.8832 -25.5454 -25.5454 -25.4582 -25.4582 -22.3877 -22.3877 -22.3875 -22.3875 -22.2738 -22.2738 -22.2726 -22.2726 -3.2895 -3.2895 -3.2875 -3.2875 -2.2874 -2.2874 -2.2530 -2.2530 -2.2517 -2.2517 8.3958 8.3958 13.4891 13.4891 13.7702 13.7702 13.8280 13.8280 14.6792 14.6792 14.6819 14.6819 16.6042 16.6042 16.6376 16.6376 16.7709 16.7709 17.7826 17.7826 18.1378 18.1378 18.1513 18.1513 18.5503 18.5503 18.5737 18.5737 19.0318 19.0318 19.0542 19.0542 21.2712 21.2712 22.4732 22.4732 23.4280 23.4280 k = 0.1705 0.0984 0.0696 ( 4858 PWs) bands (ev): -52.9098 -52.9098 -52.8835 -52.8835 -25.5445 -25.5445 -25.4592 -25.4592 -22.3865 -22.3865 -22.3864 -22.3864 -22.2751 -22.2751 -22.2738 -22.2738 -3.2897 -3.2897 -3.2875 -3.2875 -2.2876 -2.2876 -2.2530 -2.2530 -2.2516 -2.2516 8.4383 8.4383 13.4629 13.4629 13.7825 13.7825 13.8411 13.8411 14.7100 14.7100 14.7131 14.7131 16.5904 16.5904 16.6240 16.6240 16.7685 16.7685 17.6949 17.6949 18.0895 18.0895 18.0955 18.0955 18.5458 18.5458 18.5710 18.5710 19.0209 19.0209 19.0423 19.0423 21.3324 21.3324 22.3161 22.3161 23.4228 23.4228 k = 0.1818 0.1050 0.0742 ( 4846 PWs) bands (ev): -52.9095 -52.9095 -52.8838 -52.8838 -25.5435 -25.5435 -25.4602 -25.4602 -22.3852 -22.3852 -22.3852 -22.3852 -22.2765 -22.2765 -22.2750 -22.2750 -3.2900 -3.2900 -3.2875 -3.2875 -2.2878 -2.2878 -2.2531 -2.2531 -2.2515 -2.2515 8.4832 8.4832 13.4356 13.4356 13.7960 13.7960 13.8553 13.8553 14.7422 14.7422 14.7458 14.7458 16.5757 16.5757 16.6094 16.6094 16.7633 16.7633 17.6081 17.6081 18.0385 18.0385 18.0396 18.0396 18.5414 18.5414 18.5683 18.5683 19.0088 19.0088 19.0287 19.0287 21.3848 21.3848 22.1701 22.1701 23.4179 23.4179 k = 0.1932 0.1115 0.0789 ( 4846 PWs) bands (ev): -52.9092 -52.9092 -52.8841 -52.8841 -25.5425 -25.5425 -25.4612 -25.4612 -22.3840 -22.3840 -22.3839 -22.3839 -22.2780 -22.2780 -22.2764 -22.2764 -3.2903 -3.2903 -3.2874 -3.2874 -2.2880 -2.2880 -2.2531 -2.2531 -2.2514 -2.2514 8.5306 8.5306 13.4074 13.4074 13.8107 13.8107 13.8705 13.8705 14.7757 14.7757 14.7799 14.7799 16.5602 16.5602 16.5938 16.5938 16.7542 16.7542 17.5237 17.5237 17.9807 17.9807 17.9882 17.9882 18.5369 18.5369 18.5657 18.5657 18.9955 18.9955 19.0136 19.0136 21.4166 21.4166 22.0472 22.0472 23.4131 23.4131 k = 0.2045 0.1181 0.0835 ( 4849 PWs) bands (ev): -52.9089 -52.9089 -52.8844 -52.8844 -25.5415 -25.5415 -25.4623 -25.4623 -22.3826 -22.3826 -22.3826 -22.3826 -22.2796 -22.2796 -22.2778 -22.2778 -3.2905 -3.2905 -3.2874 -3.2874 -2.2882 -2.2882 -2.2532 -2.2532 -2.2513 -2.2513 8.5801 8.5801 13.3784 13.3784 13.8266 13.8266 13.8868 13.8868 14.8104 14.8104 14.8152 14.8152 16.5438 16.5438 16.5773 16.5773 16.7401 16.7401 17.4436 17.4436 17.9220 17.9220 17.9356 17.9356 18.5326 18.5326 18.5631 18.5631 18.9812 18.9812 18.9970 18.9970 21.4078 21.4078 21.9677 21.9677 23.4085 23.4085 k = 0.2159 0.1247 0.0881 ( 4843 PWs) bands (ev): -52.9085 -52.9085 -52.8847 -52.8847 -25.5404 -25.5404 -25.4635 -25.4635 -22.3812 -22.3812 -22.3811 -22.3811 -22.2812 -22.2812 -22.2792 -22.2792 -3.2908 -3.2908 -3.2874 -3.2874 -2.2884 -2.2884 -2.2532 -2.2532 -2.2512 -2.2512 8.6317 8.6317 13.3487 13.3487 13.8436 13.8436 13.9042 13.9042 14.8463 14.8463 14.8517 14.8517 16.5266 16.5266 16.5599 16.5599 16.7195 16.7195 17.3699 17.3699 17.8629 17.8629 17.8821 17.8821 18.5283 18.5283 18.5606 18.5606 18.9659 18.9659 18.9791 18.9791 21.3434 21.3434 21.9464 21.9464 23.4038 23.4038 k = 0.2273 0.1312 0.0928 ( 4864 PWs) bands (ev): -52.9082 -52.9082 -52.8851 -52.8851 -25.5394 -25.5394 -25.4647 -25.4647 -22.3798 -22.3798 -22.3797 -22.3797 -22.2829 -22.2829 -22.2808 -22.2808 -3.2911 -3.2911 -3.2874 -3.2874 -2.2886 -2.2886 -2.2533 -2.2533 -2.2511 -2.2511 8.6853 8.6853 13.3183 13.3183 13.8616 13.8616 13.9225 13.9225 14.8833 14.8833 14.8893 14.8893 16.5086 16.5086 16.5415 16.5415 16.6911 16.6911 17.3044 17.3044 17.8035 17.8035 17.8277 17.8277 18.5241 18.5241 18.5582 18.5582 18.9497 18.9497 18.9599 18.9599 21.2340 21.2340 21.9725 21.9725 23.3992 23.3992 k = 0.2386 0.1378 0.0974 ( 4858 PWs) bands (ev): -52.9078 -52.9078 -52.8854 -52.8854 -25.5382 -25.5382 -25.4660 -25.4660 -22.3782 -22.3782 -22.3782 -22.3782 -22.2846 -22.2846 -22.2824 -22.2824 -3.2914 -3.2914 -3.2873 -3.2873 -2.2888 -2.2888 -2.2534 -2.2534 -2.2509 -2.2509 8.7407 8.7407 13.2872 13.2872 13.8807 13.8807 13.9417 13.9417 14.9212 14.9212 14.9279 14.9279 16.4898 16.4898 16.5221 16.5221 16.6539 16.6539 17.2488 17.2488 17.7440 17.7440 17.7727 17.7727 18.5200 18.5200 18.5559 18.5559 18.9327 18.9327 18.9396 18.9396 21.1008 21.1008 22.0246 22.0246 23.3946 23.3946 k = 0.2500 0.1443 0.1021 ( 4858 PWs) bands (ev): -52.9074 -52.9074 -52.8858 -52.8858 -25.5369 -25.5369 -25.4673 -25.4673 -22.3767 -22.3767 -22.3766 -22.3766 -22.2864 -22.2864 -22.2840 -22.2840 -3.2917 -3.2917 -3.2873 -3.2873 -2.2890 -2.2890 -2.2534 -2.2534 -2.2508 -2.2508 8.7977 8.7977 13.2554 13.2554 13.9006 13.9006 13.9618 13.9618 14.9600 14.9600 14.9673 14.9673 16.4702 16.4702 16.5014 16.5014 16.6082 16.6082 17.2037 17.2037 17.6848 17.6848 17.7173 17.7173 18.5161 18.5161 18.5536 18.5536 18.9150 18.9150 18.9184 18.9184 20.9573 20.9573 22.0891 22.0891 23.3901 23.3901 k = 0.2614 0.1509 0.1067 ( 4849 PWs) bands (ev): -52.9070 -52.9070 -52.8862 -52.8862 -25.5357 -25.5357 -25.4685 -25.4685 -22.3751 -22.3751 -22.3750 -22.3750 -22.2881 -22.2881 -22.2857 -22.2857 -3.2920 -3.2920 -3.2873 -3.2873 -2.2892 -2.2892 -2.2535 -2.2535 -2.2507 -2.2507 8.8562 8.8562 13.2230 13.2230 13.9214 13.9214 13.9828 13.9828 14.9995 14.9995 15.0075 15.0075 16.4499 16.4499 16.4784 16.4784 16.5558 16.5558 17.1685 17.1685 17.6261 17.6261 17.6618 17.6618 18.5123 18.5123 18.5516 18.5516 18.8963 18.8963 18.8967 18.8967 20.8102 20.8102 22.1587 22.1587 23.3858 23.3858 k = 0.2727 0.1575 0.1113 ( 4852 PWs) bands (ev): -52.9066 -52.9066 -52.8866 -52.8866 -25.5344 -25.5344 -25.4699 -25.4699 -22.3734 -22.3734 -22.3732 -22.3732 -22.2900 -22.2900 -22.2875 -22.2875 -3.2923 -3.2923 -3.2873 -3.2873 -2.2895 -2.2895 -2.2535 -2.2535 -2.2506 -2.2506 8.9159 8.9159 13.1899 13.1899 13.9430 13.9430 14.0044 14.0044 15.0397 15.0397 15.0483 15.0483 16.4288 16.4288 16.4493 16.4493 16.5024 16.5024 17.1418 17.1418 17.5683 17.5683 17.6063 17.6063 18.5086 18.5086 18.5496 18.5496 18.8736 18.8736 18.8780 18.8780 20.6629 20.6629 22.2300 22.2300 23.3815 23.3815 k = 0.2841 0.1640 0.1160 ( 4858 PWs) bands (ev): -52.9062 -52.9062 -52.8870 -52.8870 -25.5331 -25.5331 -25.4713 -25.4713 -22.3718 -22.3718 -22.3715 -22.3715 -22.2920 -22.2920 -22.2893 -22.2893 -3.2926 -3.2926 -3.2873 -3.2873 -2.2897 -2.2897 -2.2536 -2.2536 -2.2505 -2.2505 8.9766 8.9766 13.1561 13.1561 13.9652 13.9652 14.0267 14.0267 15.0804 15.0804 15.0897 15.0897 16.4038 16.4038 16.4070 16.4070 16.4605 16.4605 17.1216 17.1216 17.5118 17.5118 17.5511 17.5511 18.5052 18.5052 18.5477 18.5477 18.8505 18.8505 18.8590 18.8590 20.5174 20.5174 22.3008 22.3008 23.3774 23.3774 k = 0.2955 0.1706 0.1206 ( 4852 PWs) bands (ev): -52.9058 -52.9058 -52.8874 -52.8874 -25.5317 -25.5317 -25.4727 -25.4727 -22.3700 -22.3700 -22.3697 -22.3697 -22.2939 -22.2939 -22.2912 -22.2912 -3.2929 -3.2929 -3.2872 -3.2872 -2.2899 -2.2899 -2.2536 -2.2536 -2.2504 -2.2504 9.0381 9.0381 13.1217 13.1217 13.9880 13.9880 14.0495 14.0495 15.1217 15.1217 15.1315 15.1315 16.3428 16.3428 16.3844 16.3844 16.4314 16.4314 17.1060 17.1060 17.4573 17.4573 17.4964 17.4964 18.5019 18.5019 18.5459 18.5459 18.8270 18.8270 18.8398 18.8398 20.3747 20.3747 22.3697 22.3697 23.3736 23.3736 k = 0.3068 0.1771 0.1253 ( 4849 PWs) bands (ev): -52.9053 -52.9053 -52.8879 -52.8879 -25.5303 -25.5303 -25.4742 -25.4742 -22.3682 -22.3682 -22.3678 -22.3678 -22.2959 -22.2959 -22.2931 -22.2931 -3.2932 -3.2932 -3.2872 -3.2872 -2.2901 -2.2901 -2.2537 -2.2537 -2.2503 -2.2503 9.1001 9.1001 13.0866 13.0866 14.0112 14.0112 14.0727 14.0727 15.1633 15.1633 15.1736 15.1736 16.2768 16.2768 16.3612 16.3612 16.4062 16.4062 17.0930 17.0930 17.4053 17.4053 17.4424 17.4424 18.4987 18.4987 18.5443 18.5443 18.8034 18.8034 18.8206 18.8206 20.2358 20.2358 22.4359 22.4359 23.3699 23.3699 k = 0.3182 0.1837 0.1299 ( 4864 PWs) bands (ev): -52.9048 -52.9048 -52.8883 -52.8883 -25.5289 -25.5289 -25.4758 -25.4758 -22.3664 -22.3664 -22.3658 -22.3658 -22.2980 -22.2980 -22.2951 -22.2951 -3.2934 -3.2934 -3.2872 -3.2872 -2.2903 -2.2903 -2.2537 -2.2537 -2.2501 -2.2501 9.1623 9.1623 13.0509 13.0509 14.0347 14.0347 14.0961 14.0961 15.2052 15.2052 15.2158 15.2158 16.2104 16.2104 16.3372 16.3372 16.3819 16.3819 17.0810 17.0810 17.3570 17.3570 17.3894 17.3894 18.4957 18.4957 18.5427 18.5427 18.7798 18.7798 18.8015 18.8015 20.1013 20.1013 22.4988 22.4988 23.3664 23.3664 k = 0.3295 0.1903 0.1345 ( 4867 PWs) bands (ev): -52.9044 -52.9044 -52.8888 -52.8888 -25.5274 -25.5274 -25.4774 -25.4774 -22.3645 -22.3645 -22.3639 -22.3639 -22.3001 -22.3001 -22.2971 -22.2971 -3.2937 -3.2937 -3.2872 -3.2872 -2.2905 -2.2905 -2.2538 -2.2538 -2.2500 -2.2500 9.2244 9.2244 13.0147 13.0147 14.0583 14.0583 14.1197 14.1197 15.2473 15.2473 15.2582 15.2582 16.1455 16.1455 16.3125 16.3125 16.3575 16.3575 17.0680 17.0680 17.3136 17.3136 17.3376 17.3376 18.4929 18.4929 18.5412 18.5412 18.7564 18.7564 18.7827 18.7827 19.9717 19.9717 22.5578 22.5578 23.3632 23.3632 k = 0.3409 0.1968 0.1392 ( 4867 PWs) bands (ev): -52.9039 -52.9039 -52.8893 -52.8893 -25.5259 -25.5259 -25.4790 -25.4790 -22.3626 -22.3626 -22.3618 -22.3618 -22.3022 -22.3022 -22.2992 -22.2992 -3.2940 -3.2940 -3.2871 -3.2871 -2.2907 -2.2907 -2.2538 -2.2538 -2.2499 -2.2499 9.2860 9.2860 12.9781 12.9781 14.0819 14.0819 14.1432 14.1432 15.2896 15.2896 15.3004 15.3004 16.0833 16.0833 16.2870 16.2870 16.3329 16.3329 17.0520 17.0520 17.2768 17.2768 17.2873 17.2873 18.4902 18.4902 18.5398 18.5398 18.7335 18.7335 18.7643 18.7643 19.8475 19.8475 22.6127 22.6127 23.3602 23.3602 k = 0.3523 0.2034 0.1438 ( 4855 PWs) bands (ev): -52.9034 -52.9034 -52.8897 -52.8897 -25.5244 -25.5244 -25.4805 -25.4805 -22.3606 -22.3606 -22.3598 -22.3598 -22.3043 -22.3043 -22.3012 -22.3012 -3.2942 -3.2942 -3.2871 -3.2871 -2.2909 -2.2909 -2.2538 -2.2538 -2.2498 -2.2498 9.3468 9.3468 12.9413 12.9413 14.1053 14.1053 14.1664 14.1664 15.3318 15.3318 15.3424 15.3424 16.0246 16.0246 16.2609 16.2609 16.3079 16.3079 17.0315 17.0315 17.2387 17.2387 17.2479 17.2479 18.4876 18.4876 18.5384 18.5384 18.7112 18.7112 18.7464 18.7464 19.7292 19.7292 22.6634 22.6634 23.3575 23.3575 k = 0.3636 0.2099 0.1485 ( 4858 PWs) bands (ev): -52.9029 -52.9029 -52.8902 -52.8902 -25.5228 -25.5228 -25.4821 -25.4821 -22.3587 -22.3587 -22.3577 -22.3577 -22.3064 -22.3064 -22.3033 -22.3033 -3.2944 -3.2944 -3.2871 -3.2871 -2.2911 -2.2911 -2.2539 -2.2539 -2.2497 -2.2497 9.4062 9.4062 12.9044 12.9044 14.1283 14.1283 14.1893 14.1893 15.3741 15.3741 15.3840 15.3840 15.9700 15.9700 16.2340 16.2340 16.2825 16.2825 17.0060 17.0060 17.1922 17.1922 17.2275 17.2275 18.4852 18.4852 18.5370 18.5370 18.6897 18.6897 18.7293 18.7293 19.6171 19.6171 22.7097 22.7097 23.3549 23.3549 k = 0.3750 0.2165 0.1531 ( 4859 PWs) bands (ev): -52.9024 -52.9024 -52.8907 -52.8907 -25.5212 -25.5212 -25.4837 -25.4837 -22.3567 -22.3567 -22.3556 -22.3556 -22.3086 -22.3086 -22.3055 -22.3055 -3.2947 -3.2947 -3.2871 -3.2871 -2.2912 -2.2912 -2.2539 -2.2539 -2.2497 -2.2497 9.4640 9.4640 12.8679 12.8679 14.1507 14.1507 14.2115 14.2115 15.4162 15.4162 15.4249 15.4249 15.9198 15.9198 16.2064 16.2064 16.2566 16.2566 16.9763 16.9763 17.1480 17.1480 17.2146 17.2146 18.4829 18.4829 18.5356 18.5356 18.6691 18.6691 18.7130 18.7130 19.5118 19.5118 22.7517 22.7517 23.3527 23.3527 k = 0.3864 0.2231 0.1577 ( 4871 PWs) bands (ev): -52.9019 -52.9019 -52.8912 -52.8912 -25.5196 -25.5196 -25.4854 -25.4854 -22.3546 -22.3546 -22.3535 -22.3535 -22.3108 -22.3108 -22.3077 -22.3077 -3.2949 -3.2949 -3.2871 -3.2871 -2.2914 -2.2914 -2.2539 -2.2539 -2.2496 -2.2496 9.5195 9.5195 12.8320 12.8320 14.1722 14.1722 14.2328 14.2328 15.4580 15.4580 15.4648 15.4648 15.8747 15.8747 16.1780 16.1780 16.2303 16.2303 16.9442 16.9442 17.1064 17.1064 17.2075 17.2075 18.4807 18.4807 18.5342 18.5342 18.6498 18.6498 18.6977 18.6977 19.4136 19.4136 22.7895 22.7895 23.3506 23.3506 k = 0.3977 0.2296 0.1624 ( 4883 PWs) bands (ev): -52.9014 -52.9014 -52.8917 -52.8917 -25.5181 -25.5181 -25.4871 -25.4871 -22.3527 -22.3527 -22.3513 -22.3513 -22.3130 -22.3130 -22.3100 -22.3100 -3.2951 -3.2951 -3.2871 -3.2871 -2.2916 -2.2916 -2.2539 -2.2539 -2.2495 -2.2495 9.5723 9.5723 12.7972 12.7972 14.1927 14.1927 14.2531 14.2531 15.4997 15.4997 15.5034 15.5034 15.8348 15.8348 16.1489 16.1489 16.2036 16.2036 16.9116 16.9116 17.0676 17.0676 17.2045 17.2045 18.4787 18.4787 18.5326 18.5326 18.6318 18.6318 18.6835 18.6835 19.3230 19.3230 22.8231 22.8231 23.3488 23.3488 k = 0.4091 0.2362 0.1670 ( 4877 PWs) bands (ev): -52.9009 -52.9009 -52.8923 -52.8923 -25.5164 -25.5164 -25.4888 -25.4888 -22.3506 -22.3506 -22.3491 -22.3491 -22.3152 -22.3152 -22.3122 -22.3122 -3.2952 -3.2952 -3.2871 -3.2871 -2.2917 -2.2917 -2.2540 -2.2540 -2.2494 -2.2494 9.6217 9.6217 12.7639 12.7639 14.2119 14.2119 14.2721 14.2721 15.5399 15.5399 15.5409 15.5409 15.8010 15.8010 16.1191 16.1191 16.1765 16.1765 16.8797 16.8797 17.0320 17.0320 17.2042 17.2042 18.4768 18.4768 18.5310 18.5310 18.6154 18.6154 18.6705 18.6705 19.2404 19.2404 22.8526 22.8526 23.3472 23.3472 k = 0.4205 0.2427 0.1716 ( 4865 PWs) bands (ev): -52.9003 -52.9003 -52.8928 -52.8928 -25.5147 -25.5147 -25.4905 -25.4905 -22.3484 -22.3484 -22.3468 -22.3468 -22.3174 -22.3174 -22.3145 -22.3145 -3.2954 -3.2954 -3.2870 -3.2870 -2.2918 -2.2918 -2.2540 -2.2540 -2.2494 -2.2494 9.6673 9.6673 12.7326 12.7326 14.2296 14.2296 14.2895 14.2895 15.5729 15.5729 15.5818 15.5818 15.7743 15.7743 16.0884 16.0884 16.1491 16.1491 16.8498 16.8498 16.9998 16.9998 17.2057 17.2057 18.4750 18.4750 18.5291 18.5291 18.6008 18.6008 18.6589 18.6589 19.1663 19.1663 22.8783 22.8783 23.3458 23.3458 k = 0.4318 0.2493 0.1763 ( 4865 PWs) bands (ev): -52.8998 -52.8998 -52.8933 -52.8933 -25.5130 -25.5130 -25.4922 -25.4922 -22.3463 -22.3463 -22.3445 -22.3445 -22.3197 -22.3197 -22.3167 -22.3167 -3.2955 -3.2955 -3.2870 -3.2870 -2.2919 -2.2919 -2.2540 -2.2540 -2.2493 -2.2493 9.7083 9.7083 12.7040 12.7040 14.2454 14.2454 14.3052 14.3052 15.6002 15.6002 15.6222 15.6222 15.7566 15.7566 16.0570 16.0570 16.1216 16.1216 16.8226 16.8226 16.9712 16.9712 17.2082 17.2082 18.4733 18.4733 18.5271 18.5271 18.5881 18.5881 18.6487 18.6487 19.1011 19.1011 22.9001 22.9001 23.3446 23.3446 k = 0.4432 0.2559 0.1809 ( 4865 PWs) bands (ev): -52.8993 -52.8993 -52.8938 -52.8938 -25.5113 -25.5113 -25.4939 -25.4939 -22.3442 -22.3442 -22.3423 -22.3423 -22.3219 -22.3219 -22.3190 -22.3190 -3.2956 -3.2956 -3.2870 -3.2870 -2.2920 -2.2920 -2.2540 -2.2540 -2.2493 -2.2493 9.7443 9.7443 12.6785 12.6785 14.2593 14.2593 14.3189 14.3189 15.6183 15.6183 15.6620 15.6620 15.7512 15.7512 16.0249 16.0249 16.0943 16.0943 16.7988 16.7988 16.9466 16.9466 17.2112 17.2112 18.4719 18.4719 18.5249 18.5249 18.5774 18.5774 18.6400 18.6400 19.0452 19.0452 22.9184 22.9184 23.3436 23.3436 k = 0.4545 0.2624 0.1856 ( 4865 PWs) bands (ev): -52.8987 -52.8987 -52.8944 -52.8944 -25.5096 -25.5096 -25.4957 -25.4957 -22.3420 -22.3420 -22.3400 -22.3400 -22.3241 -22.3241 -22.3213 -22.3213 -3.2957 -3.2957 -3.2870 -3.2870 -2.2921 -2.2921 -2.2540 -2.2540 -2.2492 -2.2492 9.7746 9.7746 12.6567 12.6567 14.2710 14.2710 14.3304 14.3304 15.6253 15.6253 15.7013 15.7013 15.7589 15.7589 15.9920 15.9920 16.0678 16.0678 16.7786 16.7786 16.9262 16.9262 17.2142 17.2142 18.4706 18.4706 18.5226 18.5226 18.5688 18.5688 18.6328 18.6328 18.9990 18.9990 22.9331 22.9331 23.3428 23.3428 k = 0.4659 0.2690 0.1902 ( 4871 PWs) bands (ev): -52.8982 -52.8982 -52.8949 -52.8949 -25.5079 -25.5079 -25.4974 -25.4974 -22.3399 -22.3399 -22.3377 -22.3377 -22.3263 -22.3263 -22.3237 -22.3237 -3.2958 -3.2958 -3.2870 -3.2870 -2.2921 -2.2921 -2.2540 -2.2540 -2.2492 -2.2492 9.7988 9.7988 12.6392 12.6392 14.2803 14.2803 14.3395 14.3395 15.6247 15.6247 15.7400 15.7400 15.7755 15.7755 15.9583 15.9583 16.0428 16.0428 16.7626 16.7626 16.9100 16.9100 17.2170 17.2170 18.4696 18.4696 18.5203 18.5203 18.5623 18.5623 18.6272 18.6272 18.9627 18.9627 22.9444 22.9444 23.3422 23.3422 k = 0.4773 0.2756 0.1948 ( 4874 PWs) bands (ev): -52.8976 -52.8976 -52.8955 -52.8955 -25.5062 -25.5062 -25.4992 -25.4992 -22.3377 -22.3377 -22.3353 -22.3353 -22.3286 -22.3286 -22.3260 -22.3260 -3.2959 -3.2959 -3.2870 -3.2870 -2.2922 -2.2922 -2.2540 -2.2540 -2.2492 -2.2492 9.8164 9.8164 12.6263 12.6263 14.2871 14.2871 14.3462 14.3462 15.6215 15.6215 15.7779 15.7779 15.7941 15.7941 15.9240 15.9240 16.0212 16.0212 16.7510 16.7510 16.8984 16.8984 17.2191 17.2191 18.4688 18.4688 18.5184 18.5184 18.5578 18.5578 18.6231 18.6231 18.9367 18.9367 22.9525 22.9525 23.3418 23.3418 k = 0.4886 0.2821 0.1995 ( 4874 PWs) bands (ev): -52.8971 -52.8971 -52.8960 -52.8960 -25.5045 -25.5045 -25.5009 -25.5009 -22.3356 -22.3356 -22.3330 -22.3330 -22.3307 -22.3307 -22.3283 -22.3283 -3.2959 -3.2959 -3.2870 -3.2870 -2.2922 -2.2922 -2.2540 -2.2540 -2.2492 -2.2492 9.8272 9.8272 12.6185 12.6185 14.2912 14.2912 14.3502 14.3502 15.6186 15.6186 15.8087 15.8087 15.8149 15.8149 15.8892 15.8892 16.0057 16.0057 16.7440 16.7440 16.8914 16.8914 17.2205 17.2205 18.4683 18.4683 18.5172 18.5172 18.5552 18.5552 18.6207 18.6207 18.9210 18.9210 22.9573 22.9573 23.3415 23.3415 k = 0.5000 0.2887 0.2041 ( 4850 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5030 -25.5030 -25.5022 -25.5022 -22.3341 -22.3341 -22.3320 -22.3320 -22.3309 -22.3309 -22.3304 -22.3304 -3.2959 -3.2959 -3.2870 -3.2870 -2.2922 -2.2922 -2.2540 -2.2540 -2.2492 -2.2492 9.8308 9.8308 12.6158 12.6158 14.2925 14.2925 14.3516 14.3516 15.6176 15.6176 15.8144 15.8144 15.8446 15.8446 15.8602 15.8602 15.9999 15.9999 16.7416 16.7416 16.8890 16.8890 17.2210 17.2210 18.4682 18.4682 18.5167 18.5167 18.5543 18.5543 18.6199 18.6199 18.9158 18.9158 22.9589 22.9589 23.3414 23.3414 k = 0.5000 0.2887 0.2041 ( 4850 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5030 -25.5030 -25.5022 -25.5022 -22.3341 -22.3341 -22.3320 -22.3320 -22.3309 -22.3309 -22.3304 -22.3304 -3.2959 -3.2959 -3.2870 -3.2870 -2.2922 -2.2922 -2.2540 -2.2540 -2.2492 -2.2492 9.8308 9.8308 12.6158 12.6158 14.2925 14.2925 14.3516 14.3516 15.6176 15.6176 15.8144 15.8144 15.8446 15.8446 15.8602 15.8602 15.9999 15.9999 16.7416 16.7416 16.8890 16.8890 17.2210 17.2210 18.4682 18.4682 18.5167 18.5167 18.5543 18.5543 18.6199 18.6199 18.9158 18.9158 22.9589 22.9589 23.3414 23.3414 k = 0.5039 0.2774 0.2105 ( 4860 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5030 -25.5030 -25.5023 -25.5023 -22.3351 -22.3351 -22.3337 -22.3337 -22.3294 -22.3294 -22.3293 -22.3293 -3.2959 -3.2959 -3.2870 -3.2870 -2.2922 -2.2922 -2.2540 -2.2540 -2.2492 -2.2492 9.8314 9.8314 12.6172 12.6172 14.2924 14.2924 14.3515 14.3515 15.6122 15.6122 15.8057 15.8057 15.8424 15.8424 15.8710 15.8710 16.0051 16.0051 16.7410 16.7410 16.8884 16.8884 17.2217 17.2217 18.4682 18.4682 18.5160 18.5160 18.5551 18.5551 18.6199 18.6199 18.9160 18.9160 22.9450 22.9450 23.3314 23.3314 k = 0.5078 0.2661 0.2169 ( 4868 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5031 -25.5031 -25.5023 -25.5023 -22.3370 -22.3370 -22.3358 -22.3358 -22.3276 -22.3276 -22.3272 -22.3272 -3.2959 -3.2959 -3.2870 -3.2870 -2.2922 -2.2922 -2.2540 -2.2540 -2.2492 -2.2492 9.8331 9.8331 12.6212 12.6212 14.2919 14.2919 14.3516 14.3516 15.5966 15.5966 15.7906 15.7906 15.8369 15.8369 15.8922 15.8922 16.0196 16.0196 16.7391 16.7391 16.8864 16.8864 17.2240 17.2240 18.4683 18.4683 18.5140 18.5140 18.5576 18.5576 18.6201 18.6201 18.9164 18.9164 22.9033 22.9033 23.2987 23.2987 k = 0.5117 0.2548 0.2233 ( 4867 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5031 -25.5031 -25.5023 -25.5023 -22.3390 -22.3390 -22.3380 -22.3380 -22.3256 -22.3256 -22.3250 -22.3250 -3.2959 -3.2959 -3.2871 -3.2871 -2.2922 -2.2922 -2.2540 -2.2540 -2.2492 -2.2492 9.8361 9.8361 12.6278 12.6278 14.2902 14.2902 14.3525 14.3525 15.5721 15.5721 15.7763 15.7763 15.8302 15.8302 15.9155 15.9155 16.0410 16.0410 16.7362 16.7362 16.8833 16.8833 17.2278 17.2278 18.4683 18.4683 18.5103 18.5103 18.5617 18.5617 18.6207 18.6207 18.9171 18.9171 22.8343 22.8343 23.2362 23.2362 k = 0.5156 0.2436 0.2296 ( 4864 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5031 -25.5031 -25.5023 -25.5023 -22.3410 -22.3410 -22.3401 -22.3401 -22.3235 -22.3235 -22.3229 -22.3229 -3.2959 -3.2959 -3.2871 -3.2871 -2.2922 -2.2922 -2.2540 -2.2540 -2.2493 -2.2493 9.8403 9.8403 12.6370 12.6370 14.2865 14.2865 14.3552 14.3552 15.5405 15.5405 15.7634 15.7634 15.8241 15.8241 15.9390 15.9390 16.0668 16.0668 16.7321 16.7321 16.8792 16.8792 17.2330 17.2330 18.4678 18.4678 18.5051 18.5051 18.5675 18.5675 18.6220 18.6220 18.9182 18.9182 22.7406 22.7406 23.1437 23.1437 k = 0.5195 0.2323 0.2360 ( 4872 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5031 -25.5031 -25.5024 -25.5024 -22.3431 -22.3431 -22.3422 -22.3422 -22.3214 -22.3214 -22.3208 -22.3208 -3.2959 -3.2959 -3.2872 -3.2872 -2.2923 -2.2923 -2.2540 -2.2540 -2.2493 -2.2493 9.8456 9.8456 12.6488 12.6488 14.2800 14.2800 14.3603 14.3603 15.5040 15.5040 15.7511 15.7511 15.8199 15.8199 15.9623 15.9623 16.0946 16.0946 16.7271 16.7271 16.8742 16.8742 17.2395 17.2395 18.4663 18.4663 18.4980 18.4980 18.5749 18.5749 18.6246 18.6246 18.9197 18.9197 22.6270 22.6270 23.0312 23.0312 k = 0.5234 0.2210 0.2424 ( 4866 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5031 -25.5031 -25.5024 -25.5024 -22.3452 -22.3452 -22.3443 -22.3443 -22.3193 -22.3193 -22.3187 -22.3187 -3.2959 -3.2959 -3.2873 -3.2873 -2.2923 -2.2923 -2.2541 -2.2541 -2.2494 -2.2494 9.8520 9.8520 12.6632 12.6632 14.2705 14.2705 14.3682 14.3682 15.4640 15.4640 15.7387 15.7387 15.8181 15.8181 15.9855 15.9855 16.1230 16.1230 16.7214 16.7214 16.8686 16.8686 17.2474 17.2474 18.4634 18.4634 18.4892 18.4892 18.5839 18.5839 18.6287 18.6287 18.9216 18.9216 22.4985 22.4985 22.9073 22.9073 k = 0.5273 0.2097 0.2488 ( 4863 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5031 -25.5031 -25.5024 -25.5024 -22.3472 -22.3472 -22.3463 -22.3463 -22.3173 -22.3173 -22.3166 -22.3166 -3.2958 -3.2958 -3.2874 -3.2874 -2.2923 -2.2923 -2.2541 -2.2541 -2.2494 -2.2494 9.8595 9.8595 12.6800 12.6800 14.2579 14.2579 14.3788 14.3788 15.4218 15.4218 15.7260 15.7260 15.8189 15.8189 16.0087 16.0087 16.1505 16.1505 16.7150 16.7150 16.8627 16.8627 17.2563 17.2563 18.4585 18.4585 18.4791 18.4791 18.5944 18.5944 18.6348 18.6348 18.9240 18.9240 22.3595 22.3595 22.7772 22.7772 k = 0.5312 0.1985 0.2552 ( 4867 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5032 -25.5032 -25.5025 -25.5025 -22.3493 -22.3493 -22.3484 -22.3484 -22.3152 -22.3152 -22.3145 -22.3145 -3.2958 -3.2958 -3.2876 -3.2876 -2.2924 -2.2924 -2.2541 -2.2541 -2.2495 -2.2495 9.8681 9.8681 12.6992 12.6992 14.2427 14.2427 14.3919 14.3919 15.3781 15.3781 15.7129 15.7129 15.8222 15.8222 16.0319 16.0319 16.1764 16.1764 16.7081 16.7081 16.8570 16.8570 17.2662 17.2662 18.4505 18.4505 18.4687 18.4687 18.6062 18.6062 18.6430 18.6430 18.9270 18.9270 22.2135 22.2135 22.6435 22.6435 k = 0.5352 0.1872 0.2615 ( 4867 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5032 -25.5032 -25.5025 -25.5025 -22.3513 -22.3513 -22.3503 -22.3503 -22.3132 -22.3132 -22.3125 -22.3125 -3.2958 -3.2958 -3.2877 -3.2877 -2.2924 -2.2924 -2.2541 -2.2541 -2.2496 -2.2496 9.8777 9.8777 12.7207 12.7207 14.2250 14.2250 14.4073 14.4073 15.3334 15.3334 15.6996 15.6996 15.8278 15.8278 16.0552 16.0552 16.1998 16.1998 16.7009 16.7009 16.8518 16.8518 17.2768 17.2768 18.4387 18.4387 18.4588 18.4588 18.6190 18.6190 18.6532 18.6532 18.9304 18.9304 22.0630 22.0630 22.5079 22.5079 k = 0.5391 0.1759 0.2679 ( 4863 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5032 -25.5032 -25.5025 -25.5025 -22.3533 -22.3533 -22.3523 -22.3523 -22.3113 -22.3113 -22.3104 -22.3104 -3.2958 -3.2958 -3.2878 -3.2878 -2.2925 -2.2925 -2.2541 -2.2541 -2.2497 -2.2497 9.8883 9.8883 12.7443 12.7443 14.2051 14.2051 14.4249 14.4249 15.2881 15.2881 15.6863 15.6863 15.8354 15.8354 16.0786 16.0786 16.2202 16.2202 16.6932 16.6932 16.8477 16.8477 17.2878 17.2878 18.4235 18.4235 18.4493 18.4493 18.6328 18.6328 18.6653 18.6653 18.9344 18.9344 21.9101 21.9101 22.3714 22.3714 k = 0.5430 0.1646 0.2743 ( 4867 PWs) bands (ev): -52.8966 -52.8966 -52.8964 -52.8964 -25.5033 -25.5033 -25.5025 -25.5025 -22.3553 -22.3553 -22.3541 -22.3541 -22.3094 -22.3094 -22.3084 -22.3084 -3.2957 -3.2957 -3.2880 -3.2880 -2.2925 -2.2925 -2.2541 -2.2541 -2.2498 -2.2498 9.8998 9.8998 12.7701 12.7701 14.1832 14.1832 14.4445 14.4445 15.2425 15.2425 15.6729 15.6729 15.8452 15.8452 16.1019 16.1019 16.2376 16.2376 16.6850 16.6850 16.8453 16.8453 17.2991 17.2991 18.4061 18.4061 18.4395 18.4395 18.6471 18.6471 18.6793 18.6793 18.9388 18.9388 21.7564 21.7564 22.2347 22.2347 k = 0.5469 0.1534 0.2807 ( 4866 PWs) bands (ev): -52.8967 -52.8967 -52.8964 -52.8964 -25.5034 -25.5034 -25.5025 -25.5025 -22.3573 -22.3573 -22.3559 -22.3559 -22.3075 -22.3075 -22.3064 -22.3064 -3.2957 -3.2957 -3.2882 -3.2882 -2.2926 -2.2926 -2.2541 -2.2541 -2.2499 -2.2499 9.9122 9.9122 12.7978 12.7978 14.1596 14.1596 14.4661 14.4661 15.1966 15.1966 15.6597 15.6597 15.8569 15.8569 16.1249 16.1249 16.2520 16.2520 16.6760 16.6760 16.8450 16.8450 17.3103 17.3103 18.3874 18.3874 18.4291 18.4291 18.6619 18.6619 18.6948 18.6948 18.9436 18.9436 21.6032 21.6032 22.0984 22.0984 k = 0.5508 0.1421 0.2870 ( 4864 PWs) bands (ev): -52.8967 -52.8967 -52.8964 -52.8964 -25.5035 -25.5035 -25.5025 -25.5025 -22.3592 -22.3592 -22.3577 -22.3577 -22.3057 -22.3057 -22.3045 -22.3045 -3.2957 -3.2957 -3.2884 -3.2884 -2.2926 -2.2926 -2.2541 -2.2541 -2.2500 -2.2500 9.9253 9.9253 12.8273 12.8273 14.1346 14.1346 14.4894 14.4894 15.1506 15.1506 15.6467 15.6467 15.8704 15.8704 16.1472 16.1472 16.2638 16.2638 16.6659 16.6659 16.8473 16.8473 17.3211 17.3211 18.3679 18.3679 18.4178 18.4178 18.6768 18.6768 18.7117 18.7117 18.9487 18.9487 21.4515 21.4515 21.9630 21.9630 k = 0.5547 0.1308 0.2934 ( 4868 PWs) bands (ev): -52.8967 -52.8967 -52.8963 -52.8963 -25.5037 -25.5037 -25.5025 -25.5025 -22.3611 -22.3611 -22.3594 -22.3594 -22.3040 -22.3040 -22.3025 -22.3025 -3.2956 -3.2956 -3.2886 -3.2886 -2.2927 -2.2927 -2.2541 -2.2541 -2.2500 -2.2500 9.9391 9.9391 12.8584 12.8584 14.1083 14.1083 14.5145 14.5145 15.1046 15.1046 15.6339 15.6339 15.8858 15.8858 16.1683 16.1683 16.2742 16.2742 16.6546 16.6546 16.8521 16.8521 17.3312 17.3312 18.3482 18.3482 18.4057 18.4057 18.6915 18.6915 18.7298 18.7298 18.9543 18.9543 21.3023 21.3023 21.8286 21.8286 k = 0.5586 0.1195 0.2998 ( 4867 PWs) bands (ev): -52.8968 -52.8968 -52.8963 -52.8963 -25.5038 -25.5038 -25.5024 -25.5024 -22.3630 -22.3630 -22.3610 -22.3610 -22.3024 -22.3024 -22.3006 -22.3006 -3.2956 -3.2956 -3.2888 -3.2888 -2.2928 -2.2928 -2.2541 -2.2541 -2.2501 -2.2501 9.9536 9.9536 12.8908 12.8908 14.0811 14.0811 14.5413 14.5413 15.0587 15.0587 15.6212 15.6212 15.9028 15.9028 16.1869 16.1869 16.2845 16.2845 16.6420 16.6420 16.8593 16.8593 17.3405 17.3405 18.3286 18.3286 18.3928 18.3928 18.7058 18.7058 18.7488 18.7488 18.9601 18.9601 21.1564 21.1564 21.6956 21.6956 k = 0.5625 0.1083 0.3062 ( 4874 PWs) bands (ev): -52.8968 -52.8968 -52.8962 -52.8962 -25.5040 -25.5040 -25.5024 -25.5024 -22.3649 -22.3649 -22.3625 -22.3625 -22.3009 -22.3009 -22.2987 -22.2987 -3.2955 -3.2955 -3.2890 -3.2890 -2.2929 -2.2929 -2.2542 -2.2542 -2.2502 -2.2502 9.9686 9.9686 12.9244 12.9244 14.0532 14.0532 14.5696 14.5696 15.0130 15.0130 15.6088 15.6088 15.9213 15.9213 16.2020 16.2020 16.2964 16.2964 16.6282 16.6282 16.8686 16.8686 17.3485 17.3485 18.3096 18.3096 18.3792 18.3792 18.7193 18.7193 18.7686 18.7686 18.9663 18.9663 21.0145 21.0145 21.5644 21.5644 k = 0.5664 0.0970 0.3126 ( 4868 PWs) bands (ev): -52.8969 -52.8969 -52.8962 -52.8962 -25.5042 -25.5042 -25.5022 -25.5022 -22.3667 -22.3667 -22.3639 -22.3639 -22.2994 -22.2994 -22.2968 -22.2968 -3.2955 -3.2955 -3.2892 -3.2892 -2.2929 -2.2929 -2.2542 -2.2542 -2.2503 -2.2503 9.9840 9.9840 12.9588 12.9588 14.0251 14.0251 14.5995 14.5995 14.9677 14.9677 15.5966 15.5966 15.9411 15.9411 16.2127 16.2127 16.3115 16.3115 16.6135 16.6135 16.8793 16.8793 17.3552 17.3552 18.2914 18.2914 18.3650 18.3650 18.7316 18.7316 18.7891 18.7891 18.9728 18.9728 20.8774 20.8774 21.4350 21.4350 k = 0.5703 0.0857 0.3189 ( 4875 PWs) bands (ev): -52.8969 -52.8969 -52.8961 -52.8961 -25.5045 -25.5045 -25.5021 -25.5021 -22.3685 -22.3685 -22.3653 -22.3653 -22.2980 -22.2980 -22.2950 -22.2950 -3.2955 -3.2955 -3.2894 -3.2894 -2.2930 -2.2930 -2.2542 -2.2542 -2.2504 -2.2504 9.9997 9.9997 12.9937 12.9937 13.9972 13.9972 14.6306 14.6306 14.9229 14.9229 15.5847 15.5847 15.9620 15.9620 16.2192 16.2192 16.3297 16.3297 16.5982 16.5982 16.8911 16.8911 17.3605 17.3605 18.2745 18.2745 18.3502 18.3502 18.7424 18.7424 18.8100 18.8100 18.9796 18.9796 20.7458 20.7458 21.3079 21.3079 k = 0.5742 0.0744 0.3253 ( 4876 PWs) bands (ev): -52.8970 -52.8970 -52.8960 -52.8960 -25.5047 -25.5047 -25.5020 -25.5020 -22.3703 -22.3703 -22.3665 -22.3665 -22.2967 -22.2967 -22.2932 -22.2932 -3.2954 -3.2954 -3.2896 -3.2896 -2.2931 -2.2931 -2.2543 -2.2543 -2.2504 -2.2504 10.0157 10.0157 13.0287 13.0287 13.9697 13.9697 14.6630 14.6630 14.8788 14.8788 15.5729 15.5729 15.9835 15.9835 16.2229 16.2229 16.3500 16.3500 16.5830 16.5830 16.9032 16.9032 17.3642 17.3642 18.2590 18.2590 18.3349 18.3349 18.7513 18.7513 18.8312 18.8312 18.9867 18.9867 20.6205 20.6205 21.1832 21.1832 k = 0.5781 0.0631 0.3317 ( 4868 PWs) bands (ev): -52.8971 -52.8971 -52.8960 -52.8960 -25.5050 -25.5050 -25.5018 -25.5018 -22.3720 -22.3720 -22.3677 -22.3677 -22.2955 -22.2955 -22.2915 -22.2915 -3.2954 -3.2954 -3.2898 -3.2898 -2.2932 -2.2932 -2.2543 -2.2543 -2.2505 -2.2505 10.0316 10.0316 13.0631 13.0631 13.9433 13.9433 14.6963 14.6963 14.8358 14.8358 15.5613 15.5613 16.0052 16.0052 16.2252 16.2252 16.3707 16.3707 16.5687 16.5687 16.9153 16.9153 17.3664 17.3664 18.2452 18.2452 18.3193 18.3193 18.7578 18.7578 18.8526 18.8526 18.9941 18.9941 20.5021 20.5021 21.0612 21.0612 k = 0.5820 0.0519 0.3381 ( 4869 PWs) bands (ev): -52.8972 -52.8972 -52.8959 -52.8959 -25.5053 -25.5053 -25.5016 -25.5016 -22.3737 -22.3737 -22.3687 -22.3687 -22.2944 -22.2944 -22.2897 -22.2897 -3.2953 -3.2953 -3.2900 -3.2900 -2.2933 -2.2933 -2.2544 -2.2544 -2.2505 -2.2505 10.0476 10.0476 13.0964 13.0964 13.9186 13.9186 14.7290 14.7290 14.7955 14.7955 15.5499 15.5499 16.0267 16.0267 16.2272 16.2272 16.3899 16.3899 16.5569 16.5569 16.9270 16.9270 17.3672 17.3672 18.2332 18.2332 18.3033 18.3033 18.7616 18.7616 18.8738 18.8738 19.0016 19.0016 20.3914 20.3914 20.9423 20.9423 k = 0.5859 0.0406 0.3445 ( 4861 PWs) bands (ev): -52.8972 -52.8972 -52.8958 -52.8958 -25.5056 -25.5056 -25.5014 -25.5014 -22.3753 -22.3753 -22.3697 -22.3697 -22.2934 -22.2934 -22.2880 -22.2880 -3.2953 -3.2953 -3.2902 -3.2902 -2.2934 -2.2934 -2.2544 -2.2544 -2.2506 -2.2506 10.0633 10.0633 13.1277 13.1277 13.8962 13.8962 14.7406 14.7406 14.7786 14.7786 15.5386 15.5386 16.0475 16.0475 16.2298 16.2298 16.4045 16.4045 16.5502 16.5502 16.9379 16.9379 17.3669 17.3669 18.2231 18.2231 18.2870 18.2870 18.7626 18.7626 18.8948 18.8948 19.0091 19.0091 20.2891 20.2891 20.8266 20.8266 k = 0.5898 0.0293 0.3508 ( 4859 PWs) bands (ev): -52.8973 -52.8973 -52.8957 -52.8957 -25.5059 -25.5059 -25.5012 -25.5012 -22.3769 -22.3769 -22.3705 -22.3705 -22.2925 -22.2925 -22.2864 -22.2864 -3.2953 -3.2953 -3.2904 -3.2904 -2.2934 -2.2934 -2.2545 -2.2545 -2.2506 -2.2506 10.0786 10.0786 13.1560 13.1560 13.8770 13.8770 14.7075 14.7075 14.8089 14.8089 15.5275 15.5275 16.0669 16.0669 16.2334 16.2334 16.4114 16.4114 16.5518 16.5518 16.9478 16.9478 17.3659 17.3659 18.2150 18.2150 18.2706 18.2706 18.7604 18.7604 18.9153 18.9153 19.0162 19.0162 20.1958 20.1958 20.7146 20.7146 k = 0.5938 0.0180 0.3572 ( 4859 PWs) bands (ev): -52.8974 -52.8974 -52.8956 -52.8956 -25.5063 -25.5063 -25.5009 -25.5009 -22.3785 -22.3785 -22.3713 -22.3713 -22.2917 -22.2917 -22.2848 -22.2848 -3.2952 -3.2952 -3.2906 -3.2906 -2.2935 -2.2935 -2.2546 -2.2546 -2.2506 -2.2506 10.0934 10.0934 13.1802 13.1802 13.8622 13.8622 14.6709 14.6709 14.8454 14.8454 15.5164 15.5164 16.0846 16.0846 16.2383 16.2383 16.4091 16.4091 16.5629 16.5629 16.9565 16.9565 17.3646 17.3646 18.2088 18.2088 18.2540 18.2540 18.7551 18.7551 18.9351 18.9351 19.0227 19.0227 20.1121 20.1121 20.6067 20.6067 k = 0.5977 0.0068 0.3636 ( 4859 PWs) bands (ev): -52.8975 -52.8975 -52.8955 -52.8955 -25.5067 -25.5067 -25.5006 -25.5006 -22.3800 -22.3800 -22.3720 -22.3720 -22.2910 -22.2910 -22.2832 -22.2832 -3.2952 -3.2952 -3.2908 -3.2908 -2.2936 -2.2936 -2.2547 -2.2547 -2.2506 -2.2506 10.1075 10.1075 13.1990 13.1990 13.8527 13.8527 14.6359 14.6359 14.8830 14.8830 15.5054 15.5054 16.1004 16.1004 16.2443 16.2443 16.3994 16.3994 16.5818 16.5818 16.9639 16.9639 17.3638 17.3638 18.2044 18.2044 18.2375 18.2375 18.7466 18.7466 18.9539 18.9539 19.0284 19.0284 20.0385 20.0385 20.5033 20.5033 k = 0.6016-0.0045 0.3700 ( 4857 PWs) bands (ev): -52.8977 -52.8977 -52.8953 -52.8953 -25.5071 -25.5071 -25.5003 -25.5003 -22.3815 -22.3815 -22.3725 -22.3725 -22.2904 -22.2904 -22.2817 -22.2817 -3.2952 -3.2952 -3.2910 -3.2910 -2.2937 -2.2937 -2.2547 -2.2547 -2.2506 -2.2506 10.1207 10.1207 13.2112 13.2112 13.8495 13.8495 14.6034 14.6034 14.9212 14.9212 15.4945 15.4945 16.1141 16.1141 16.2506 16.2506 16.3853 16.3853 16.6056 16.6056 16.9698 16.9698 17.3642 17.3642 18.2015 18.2015 18.2213 18.2213 18.7351 18.7351 18.9713 18.9713 19.0331 19.0331 19.9751 19.9751 20.4049 20.4049 k = 0.6055-0.0158 0.3764 ( 4863 PWs) bands (ev): -52.8978 -52.8978 -52.8952 -52.8952 -25.5075 -25.5075 -25.5000 -25.5000 -22.3829 -22.3829 -22.3730 -22.3730 -22.2900 -22.2900 -22.2802 -22.2802 -3.2952 -3.2952 -3.2911 -3.2911 -2.2938 -2.2938 -2.2548 -2.2548 -2.2505 -2.2505 10.1329 10.1329 13.2159 13.2159 13.8536 13.8536 14.5740 14.5740 14.9594 14.9594 15.4836 15.4836 16.1259 16.1259 16.2563 16.2563 16.3692 16.3692 16.6321 16.6321 16.9741 16.9741 17.3666 17.3666 18.1980 18.1980 18.2075 18.2075 18.7209 18.7209 18.9869 18.9869 19.0368 19.0368 19.9221 19.9221 20.3120 20.3120 k = 0.6094-0.0271 0.3827 ( 4869 PWs) bands (ev): -52.8979 -52.8979 -52.8951 -52.8951 -25.5080 -25.5080 -25.4996 -25.4996 -22.3844 -22.3844 -22.3733 -22.3733 -22.2896 -22.2896 -22.2788 -22.2788 -3.2952 -3.2952 -3.2912 -3.2912 -2.2939 -2.2939 -2.2549 -2.2549 -2.2505 -2.2505 10.1438 10.1438 13.2126 13.2126 13.8651 13.8651 14.5481 14.5481 14.9975 14.9975 15.4727 15.4727 16.1361 16.1361 16.2603 16.2603 16.3525 16.3525 16.6602 16.6602 16.9768 16.9768 17.3720 17.3720 18.1855 18.1855 18.2043 18.2043 18.7043 18.7043 19.0002 19.0002 19.0394 19.0394 19.8790 19.8790 20.2255 20.2255 k = 0.6133-0.0383 0.3891 ( 4871 PWs) bands (ev): -52.8981 -52.8981 -52.8949 -52.8949 -25.5085 -25.5085 -25.4992 -25.4992 -22.3857 -22.3857 -22.3735 -22.3735 -22.2894 -22.2894 -22.2774 -22.2774 -3.2952 -3.2952 -3.2913 -3.2913 -2.2939 -2.2939 -2.2550 -2.2550 -2.2505 -2.2505 10.1533 10.1533 13.2014 13.2014 13.8838 13.8838 14.5259 14.5259 15.0350 15.0350 15.4619 15.4619 16.1446 16.1446 16.2614 16.2614 16.3365 16.3365 16.6889 16.6889 16.9777 16.9777 17.3812 17.3812 18.1695 18.1695 18.2061 18.2061 18.6858 18.6858 19.0109 19.0109 19.0413 19.0413 19.8454 19.8454 20.1459 20.1459 k = 0.6172-0.0496 0.3955 ( 4874 PWs) bands (ev): -52.8982 -52.8982 -52.8948 -52.8948 -25.5090 -25.5090 -25.4988 -25.4988 -22.3870 -22.3870 -22.3736 -22.3736 -22.2893 -22.2893 -22.2761 -22.2761 -3.2952 -3.2952 -3.2914 -3.2914 -2.2940 -2.2940 -2.2550 -2.2550 -2.2505 -2.2505 10.1611 10.1611 13.1830 13.1830 13.9089 13.9089 14.5080 14.5080 15.0716 15.0716 15.4511 15.4511 16.1510 16.1510 16.2591 16.2591 16.3225 16.3225 16.7178 16.7178 16.9766 16.9766 17.3951 17.3951 18.1533 18.1533 18.2097 18.2097 18.6661 18.6661 19.0184 19.0184 19.0426 19.0426 19.8202 19.8202 20.0741 20.0741 k = 0.6211-0.0609 0.4019 ( 4876 PWs) bands (ev): -52.8984 -52.8984 -52.8946 -52.8946 -25.5095 -25.5095 -25.4983 -25.4983 -22.3883 -22.3883 -22.3736 -22.3736 -22.2893 -22.2893 -22.2748 -22.2748 -3.2952 -3.2952 -3.2915 -3.2915 -2.2940 -2.2940 -2.2551 -2.2551 -2.2504 -2.2504 10.1672 10.1672 13.1584 13.1584 13.9395 13.9395 14.4946 14.4946 15.1066 15.1066 15.4405 15.4405 16.1541 16.1541 16.2536 16.2536 16.3113 16.3113 16.7465 16.7465 16.9736 16.9736 17.4142 17.4142 18.1372 18.1372 18.2148 18.2148 18.6458 18.6458 19.0229 19.0229 19.0434 19.0434 19.8026 19.8026 20.0108 20.0108 k = 0.6250-0.0722 0.4082 ( 4882 PWs) bands (ev): -52.8986 -52.8986 -52.8944 -52.8944 -25.5101 -25.5101 -25.4978 -25.4978 -22.3895 -22.3895 -22.3735 -22.3735 -22.2894 -22.2894 -22.2735 -22.2735 -3.2952 -3.2952 -3.2916 -3.2916 -2.2941 -2.2941 -2.2552 -2.2552 -2.2504 -2.2504 10.1712 10.1712 13.1286 13.1286 13.9745 13.9745 14.4858 14.4858 15.1394 15.1394 15.4303 15.4303 16.1520 16.1520 16.2461 16.2461 16.3039 16.3039 16.7748 16.7748 16.9687 16.9687 17.4387 17.4387 18.1211 18.1211 18.2211 18.2211 18.6256 18.6256 19.0242 19.0242 19.0436 19.0436 19.7914 19.7914 19.9568 19.9568 k = 0.6250-0.0722 0.4082 ( 4882 PWs) bands (ev): -52.8986 -52.8986 -52.8944 -52.8944 -25.5101 -25.5101 -25.4978 -25.4978 -22.3895 -22.3895 -22.3735 -22.3735 -22.2894 -22.2894 -22.2735 -22.2735 -3.2952 -3.2952 -3.2916 -3.2916 -2.2941 -2.2941 -2.2552 -2.2552 -2.2504 -2.2504 10.1712 10.1712 13.1286 13.1286 13.9745 13.9745 14.4858 14.4858 15.1394 15.1394 15.4303 15.4303 16.1520 16.1520 16.2461 16.2461 16.3039 16.3039 16.7748 16.7748 16.9687 16.9687 17.4387 17.4387 18.1211 18.1211 18.2211 18.2211 18.6256 18.6256 19.0242 19.0242 19.0436 19.0436 19.7914 19.7914 19.9568 19.9568 k = 0.6181-0.0682 0.4196 ( 4871 PWs) bands (ev): -52.8986 -52.8986 -52.8944 -52.8944 -25.5100 -25.5100 -25.4978 -25.4978 -22.3894 -22.3894 -22.3735 -22.3735 -22.2894 -22.2894 -22.2735 -22.2735 -3.2952 -3.2952 -3.2916 -3.2916 -2.2941 -2.2941 -2.2552 -2.2552 -2.2504 -2.2504 10.1715 10.1715 13.1299 13.1299 13.9728 13.9728 14.4852 14.4852 15.1417 15.1417 15.4313 15.4313 16.1513 16.1513 16.2454 16.2454 16.3025 16.3025 16.7715 16.7715 16.9719 16.9719 17.4394 17.4394 18.1213 18.1213 18.2229 18.2229 18.6245 18.6245 19.0051 19.0051 19.0612 19.0612 19.7909 19.7909 19.9534 19.9534 k = 0.6111-0.0642 0.4309 ( 4873 PWs) bands (ev): -52.8985 -52.8985 -52.8945 -52.8945 -25.5100 -25.5100 -25.4979 -25.4979 -22.3894 -22.3894 -22.3736 -22.3736 -22.2893 -22.2893 -22.2736 -22.2736 -3.2952 -3.2952 -3.2916 -3.2916 -2.2941 -2.2941 -2.2552 -2.2552 -2.2504 -2.2504 10.1724 10.1724 13.1340 13.1340 13.9677 13.9677 14.4832 14.4832 15.1486 15.1486 15.4344 15.4344 16.1489 16.1489 16.2430 16.2430 16.2989 16.2989 16.7621 16.7621 16.9806 16.9806 17.4415 17.4415 18.1221 18.1221 18.2282 18.2282 18.6212 18.6212 18.9773 18.9773 19.0844 19.0844 19.7895 19.7895 19.9432 19.9432 k = 0.6042-0.0601 0.4423 ( 4871 PWs) bands (ev): -52.8985 -52.8985 -52.8945 -52.8945 -25.5099 -25.5099 -25.4980 -25.4980 -22.3893 -22.3893 -22.3737 -22.3737 -22.2892 -22.2892 -22.2737 -22.2737 -3.2952 -3.2952 -3.2916 -3.2916 -2.2941 -2.2941 -2.2551 -2.2551 -2.2504 -2.2504 10.1738 10.1738 13.1408 13.1408 13.9594 13.9594 14.4801 14.4801 15.1599 15.1599 15.4395 15.4395 16.1445 16.1445 16.2382 16.2382 16.2944 16.2944 16.7477 16.7477 16.9939 16.9939 17.4449 17.4449 18.1234 18.1234 18.2366 18.2366 18.6158 18.6158 18.9476 18.9476 19.1066 19.1066 19.7871 19.7871 19.9268 19.9268 k = 0.5972-0.0561 0.4536 ( 4870 PWs) bands (ev): -52.8985 -52.8985 -52.8945 -52.8945 -25.5097 -25.5097 -25.4981 -25.4981 -22.3891 -22.3891 -22.3740 -22.3740 -22.2890 -22.2890 -22.2738 -22.2738 -3.2951 -3.2951 -3.2916 -3.2916 -2.2941 -2.2941 -2.2551 -2.2551 -2.2505 -2.2505 10.1758 10.1758 13.1503 13.1503 13.9480 13.9480 14.4757 14.4757 15.1751 15.1751 15.4466 15.4466 16.1374 16.1374 16.2307 16.2307 16.2908 16.2908 16.7294 16.7294 17.0102 17.0102 17.4495 17.4495 18.1255 18.1255 18.2477 18.2477 18.6085 18.6085 18.9164 18.9164 19.1274 19.1274 19.7837 19.7837 19.9052 19.9052 k = 0.5903-0.0521 0.4649 ( 4866 PWs) bands (ev): -52.8984 -52.8984 -52.8946 -52.8946 -25.5096 -25.5096 -25.4983 -25.4983 -22.3889 -22.3889 -22.3742 -22.3742 -22.2887 -22.2887 -22.2740 -22.2740 -3.2951 -3.2951 -3.2917 -3.2917 -2.2941 -2.2941 -2.2551 -2.2551 -2.2505 -2.2505 10.1783 10.1783 13.1625 13.1625 13.9339 13.9339 14.4701 14.4701 15.1940 15.1940 15.4557 15.4557 16.1263 16.1263 16.2212 16.2212 16.2892 16.2892 16.7081 16.7081 17.0285 17.0285 17.4553 17.4553 18.1285 18.1285 18.2608 18.2608 18.5993 18.5993 18.8839 18.8839 19.1469 19.1469 19.7793 19.7793 19.8795 19.8795 k = 0.5833-0.0481 0.4763 ( 4864 PWs) bands (ev): -52.8983 -52.8983 -52.8947 -52.8947 -25.5093 -25.5093 -25.4985 -25.4985 -22.3887 -22.3887 -22.3745 -22.3745 -22.2884 -22.2884 -22.2742 -22.2742 -3.2950 -3.2950 -3.2918 -3.2918 -2.2941 -2.2941 -2.2550 -2.2550 -2.2506 -2.2506 10.1812 10.1812 13.1773 13.1773 13.9172 13.9172 14.4633 14.4633 15.2158 15.2158 15.4667 15.4667 16.1101 16.1101 16.2117 16.2117 16.2894 16.2894 16.6845 16.6845 17.0480 17.0480 17.4621 17.4621 18.1323 18.1323 18.2755 18.2755 18.5886 18.5886 18.8505 18.8505 19.1651 19.1651 19.7739 19.7739 19.8508 19.8508 k = 0.5764-0.0441 0.4876 ( 4867 PWs) bands (ev): -52.8982 -52.8982 -52.8948 -52.8948 -25.5091 -25.5091 -25.4987 -25.4987 -22.3884 -22.3884 -22.3749 -22.3749 -22.2880 -22.2880 -22.2745 -22.2745 -3.2950 -3.2950 -3.2918 -3.2918 -2.2941 -2.2941 -2.2550 -2.2550 -2.2506 -2.2506 10.1846 10.1846 13.1947 13.1947 13.8982 13.8982 14.4556 14.4556 15.2400 15.2400 15.4796 15.4796 16.0883 16.0883 16.2036 16.2036 16.2912 16.2912 16.6591 16.6591 17.0679 17.0679 17.4697 17.4697 18.1370 18.1370 18.2911 18.2911 18.5765 18.5765 18.8162 18.8162 19.1821 19.1821 19.7675 19.7675 19.8206 19.8206 k = 0.5694-0.0401 0.4990 ( 4862 PWs) bands (ev): -52.8981 -52.8981 -52.8949 -52.8949 -25.5088 -25.5088 -25.4990 -25.4990 -22.3881 -22.3881 -22.3754 -22.3754 -22.2876 -22.2876 -22.2748 -22.2748 -3.2949 -3.2949 -3.2919 -3.2919 -2.2941 -2.2941 -2.2549 -2.2549 -2.2507 -2.2507 10.1882 10.1882 13.2147 13.2147 13.8772 13.8772 14.4469 14.4469 15.2661 15.2661 15.4943 15.4943 16.0616 16.0616 16.1976 16.1976 16.2941 16.2941 16.6325 16.6325 17.0878 17.0878 17.4779 17.4779 18.1425 18.1425 18.3071 18.3071 18.5635 18.5635 18.7815 18.7815 19.1978 19.1978 19.7598 19.7598 19.7903 19.7903 k = 0.5625-0.0361 0.5103 ( 4862 PWs) bands (ev): -52.8980 -52.8980 -52.8950 -52.8950 -25.5085 -25.5085 -25.4994 -25.4994 -22.3877 -22.3877 -22.3758 -22.3758 -22.2871 -22.2871 -22.2752 -22.2752 -3.2949 -3.2949 -3.2920 -3.2920 -2.2941 -2.2941 -2.2549 -2.2549 -2.2508 -2.2508 10.1920 10.1920 13.2373 13.2373 13.8542 13.8542 14.4374 14.4374 15.2932 15.2932 15.5108 15.5108 16.0310 16.0310 16.1935 16.1935 16.2977 16.2977 16.6052 16.6052 17.1072 17.1072 17.4865 17.4865 18.1486 18.1486 18.3230 18.3230 18.5500 18.5500 18.7467 18.7467 19.2123 19.2123 19.7503 19.7503 19.7619 19.7619 k = 0.5556-0.0321 0.5217 ( 4868 PWs) bands (ev): -52.8979 -52.8979 -52.8951 -52.8951 -25.5081 -25.5081 -25.4997 -25.4997 -22.3873 -22.3873 -22.3764 -22.3764 -22.2866 -22.2866 -22.2756 -22.2756 -3.2948 -3.2948 -3.2921 -3.2921 -2.2941 -2.2941 -2.2548 -2.2548 -2.2508 -2.2508 10.1960 10.1960 13.2623 13.2623 13.8293 13.8293 14.4274 14.4274 15.3208 15.3208 15.5290 15.5290 15.9978 15.9978 16.1907 16.1907 16.3018 16.3018 16.5778 16.5778 17.1258 17.1258 17.4951 17.4951 18.1551 18.1551 18.3382 18.3382 18.5363 18.5363 18.7122 18.7122 19.2258 19.2258 19.7309 19.7309 19.7443 19.7443 k = 0.5486-0.0281 0.5330 ( 4872 PWs) bands (ev): -52.8978 -52.8978 -52.8952 -52.8952 -25.5078 -25.5078 -25.5001 -25.5001 -22.3869 -22.3869 -22.3770 -22.3770 -22.2860 -22.2860 -22.2760 -22.2760 -3.2947 -3.2947 -3.2922 -3.2922 -2.2941 -2.2941 -2.2548 -2.2548 -2.2509 -2.2509 10.2000 10.2000 13.2897 13.2897 13.8027 13.8027 14.4171 14.4171 15.3481 15.3481 15.5488 15.5488 15.9629 15.9629 16.1890 16.1890 16.3062 16.3062 16.5508 16.5508 17.1431 17.1431 17.5035 17.5035 18.1619 18.1619 18.3525 18.3525 18.5230 18.5230 18.6783 18.6783 19.2381 19.2381 19.7071 19.7071 19.7334 19.7334 k = 0.5417-0.0241 0.5443 ( 4866 PWs) bands (ev): -52.8976 -52.8976 -52.8954 -52.8954 -25.5073 -25.5073 -25.5006 -25.5006 -22.3864 -22.3864 -22.3776 -22.3776 -22.2854 -22.2854 -22.2765 -22.2765 -3.2947 -3.2947 -3.2923 -3.2923 -2.2941 -2.2941 -2.2547 -2.2547 -2.2510 -2.2510 10.2039 10.2039 13.3195 13.3195 13.7743 13.7743 14.4068 14.4068 15.3743 15.3743 15.5702 15.5702 15.9272 15.9272 16.1882 16.1882 16.3106 16.3106 16.5251 16.5251 17.1589 17.1589 17.5114 17.5114 18.1688 18.1688 18.3657 18.3657 18.5105 18.5105 18.6456 18.6456 19.2493 19.2493 19.6863 19.6863 19.7224 19.7224 k = 0.5347-0.0200 0.5557 ( 4870 PWs) bands (ev): -52.8975 -52.8975 -52.8955 -52.8955 -25.5069 -25.5069 -25.5011 -25.5011 -22.3858 -22.3858 -22.3783 -22.3783 -22.2847 -22.2847 -22.2771 -22.2771 -3.2946 -3.2946 -3.2923 -3.2923 -2.2941 -2.2941 -2.2547 -2.2547 -2.2510 -2.2510 10.2076 10.2076 13.3514 13.3514 13.7440 13.7440 14.3970 14.3970 15.3987 15.3987 15.5930 15.5930 15.8913 15.8913 16.1879 16.1879 16.3147 16.3147 16.5015 16.5015 17.1728 17.1728 17.5186 17.5186 18.1755 18.1755 18.3776 18.3776 18.4993 18.4993 18.6146 18.6146 19.2594 19.2594 19.6697 19.6697 19.7110 19.7110 k = 0.5278-0.0160 0.5670 ( 4871 PWs) bands (ev): -52.8973 -52.8973 -52.8957 -52.8957 -25.5064 -25.5064 -25.5016 -25.5016 -22.3852 -22.3852 -22.3790 -22.3790 -22.2840 -22.2840 -22.2777 -22.2777 -3.2946 -3.2946 -3.2924 -3.2924 -2.2941 -2.2941 -2.2546 -2.2546 -2.2511 -2.2511 10.2110 10.2110 13.3854 13.3854 13.7118 13.7118 14.3880 14.3880 15.4203 15.4203 15.6171 15.6171 15.8557 15.8557 16.1882 16.1882 16.3182 16.3182 16.4809 16.4809 17.1847 17.1847 17.5247 17.5247 18.1817 18.1817 18.3881 18.3881 18.4901 18.4901 18.5856 18.5856 19.2681 19.2681 19.6577 19.6577 19.6992 19.6992 k = 0.5208-0.0120 0.5784 ( 4871 PWs) bands (ev): -52.8971 -52.8971 -52.8959 -52.8959 -25.5058 -25.5058 -25.5021 -25.5021 -22.3846 -22.3846 -22.3797 -22.3797 -22.2833 -22.2833 -22.2783 -22.2783 -3.2945 -3.2945 -3.2925 -3.2925 -2.2941 -2.2941 -2.2546 -2.2546 -2.2511 -2.2511 10.2139 10.2139 13.4211 13.4211 13.6778 13.6778 14.3802 14.3802 15.4385 15.4385 15.6426 15.6426 15.8210 15.8210 16.1887 16.1887 16.3207 16.3207 16.4643 16.4643 17.1941 17.1941 17.5295 17.5295 18.1872 18.1872 18.3971 18.3971 18.4838 18.4838 18.5592 18.5592 19.2754 19.2754 19.6504 19.6504 19.6876 19.6876 k = 0.5139-0.0080 0.5897 ( 4883 PWs) bands (ev): -52.8969 -52.8969 -52.8961 -52.8961 -25.5053 -25.5053 -25.5027 -25.5027 -22.3839 -22.3839 -22.3805 -22.3805 -22.2826 -22.2826 -22.2791 -22.2791 -3.2945 -3.2945 -3.2925 -3.2925 -2.2941 -2.2941 -2.2546 -2.2546 -2.2512 -2.2512 10.2161 10.2161 13.4576 13.4576 13.6426 13.6426 14.3742 14.3742 15.4522 15.4522 15.6693 15.6693 15.7874 15.7874 16.1894 16.1894 16.3221 16.3221 16.4523 16.4523 17.2010 17.2010 17.5329 17.5329 18.1915 18.1915 18.4041 18.4041 18.4817 18.4817 18.5358 18.5358 19.2810 19.2810 19.6478 19.6478 19.6763 19.6763 k = 0.5069-0.0040 0.6010 ( 4888 PWs) bands (ev): -52.8967 -52.8967 -52.8963 -52.8963 -25.5047 -25.5047 -25.5034 -25.5034 -22.3832 -22.3832 -22.3812 -22.3812 -22.2818 -22.2818 -22.2798 -22.2798 -3.2944 -3.2944 -3.2926 -3.2926 -2.2941 -2.2941 -2.2546 -2.2546 -2.2512 -2.2512 10.2176 10.2176 13.4924 13.4924 13.6088 13.6088 14.3703 14.3703 15.4609 15.4609 15.6970 15.6970 15.7555 15.7555 16.1900 16.1900 16.3224 16.3224 16.4453 16.4453 17.2051 17.2051 17.5349 17.5349 18.1944 18.1944 18.4083 18.4083 18.4854 18.4854 18.5160 18.5160 19.2846 19.2846 19.6495 19.6495 19.6661 19.6661 k = 0.5000 0.0000 0.6124 ( 4888 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5041 -25.5041 -25.5039 -25.5039 -22.3828 -22.3828 -22.3817 -22.3817 -22.2814 -22.2814 -22.2802 -22.2802 -3.2944 -3.2944 -3.2926 -3.2926 -2.2941 -2.2941 -2.2546 -2.2546 -2.2512 -2.2512 10.2181 10.2181 13.5116 13.5116 13.5899 13.5899 14.3689 14.3689 15.4639 15.4639 15.7251 15.7251 15.7260 15.7260 16.1902 16.1902 16.3223 16.3223 16.4431 16.4431 17.2065 17.2065 17.5355 17.5355 18.1954 18.1954 18.4095 18.4095 18.4923 18.4923 18.5037 18.5037 19.2859 19.2859 19.6531 19.6531 19.6596 19.6596 k = 0.5000 0.0000 0.6124 ( 4888 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5041 -25.5041 -25.5039 -25.5039 -22.3828 -22.3828 -22.3817 -22.3817 -22.2814 -22.2814 -22.2802 -22.2802 -3.2944 -3.2944 -3.2926 -3.2926 -2.2941 -2.2941 -2.2546 -2.2546 -2.2512 -2.2512 10.2181 10.2181 13.5116 13.5116 13.5899 13.5899 14.3689 14.3689 15.4639 15.4639 15.7251 15.7251 15.7260 15.7260 16.1902 16.1902 16.3223 16.3223 16.4431 16.4431 17.2065 17.2065 17.5355 17.5355 18.1954 18.1954 18.4095 18.4095 18.4923 18.4923 18.5037 18.5037 19.2859 19.2859 19.6531 19.6531 19.6596 19.6596 k = 0.5000 0.0080 0.6010 ( 4888 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5041 -25.5041 -25.5039 -25.5039 -22.3828 -22.3828 -22.3816 -22.3816 -22.2814 -22.2814 -22.2803 -22.2803 -3.2944 -3.2944 -3.2926 -3.2926 -2.2941 -2.2941 -2.2546 -2.2546 -2.2512 -2.2512 10.2173 10.2173 13.5110 13.5110 13.5893 13.5893 14.3714 14.3714 15.4567 15.4567 15.7251 15.7251 15.7277 15.7277 16.1903 16.1903 16.3246 16.3246 16.4458 16.4458 17.2034 17.2034 17.5328 17.5328 18.1951 18.1951 18.4075 18.4075 18.4956 18.4956 18.5093 18.5093 19.2840 19.2840 19.6564 19.6564 19.6635 19.6635 k = 0.5000 0.0160 0.5897 ( 4886 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5041 -25.5041 -25.5039 -25.5039 -22.3826 -22.3826 -22.3815 -22.3815 -22.2816 -22.2816 -22.2804 -22.2804 -3.2945 -3.2945 -3.2925 -3.2925 -2.2941 -2.2941 -2.2546 -2.2546 -2.2512 -2.2512 10.2146 10.2146 13.5086 13.5086 13.5885 13.5885 14.3790 14.3790 15.4363 15.4363 15.7250 15.7250 15.7321 15.7321 16.1906 16.1906 16.3308 16.3308 16.4544 16.4544 17.1940 17.1940 17.5251 17.5251 18.1945 18.1945 18.4020 18.4020 18.5049 18.5049 18.5254 18.5254 19.2786 19.2786 19.6642 19.6642 19.6770 19.6770 k = 0.5000 0.0241 0.5784 ( 4876 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5040 -25.5040 -25.5039 -25.5039 -22.3824 -22.3824 -22.3812 -22.3812 -22.2818 -22.2818 -22.2806 -22.2806 -3.2945 -3.2945 -3.2924 -3.2924 -2.2941 -2.2941 -2.2545 -2.2545 -2.2512 -2.2512 10.2103 10.2103 13.5026 13.5026 13.5893 13.5893 14.3912 14.3912 15.4049 15.4049 15.7248 15.7248 15.7382 15.7382 16.1912 16.1912 16.3389 16.3389 16.4692 16.4692 17.1781 17.1781 17.5141 17.5141 18.1937 18.1937 18.3941 18.3941 18.5178 18.5178 18.5511 18.5511 19.2702 19.2702 19.6760 19.6760 19.7007 19.7007 k = 0.5000 0.0321 0.5670 ( 4866 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5040 -25.5040 -25.5038 -25.5038 -22.3820 -22.3820 -22.3809 -22.3809 -22.2821 -22.2821 -22.2809 -22.2809 -3.2945 -3.2945 -3.2923 -3.2923 -2.2941 -2.2941 -2.2545 -2.2545 -2.2512 -2.2512 10.2043 10.2043 13.4912 13.4912 13.5938 13.5938 14.4079 14.4079 15.3653 15.3653 15.7246 15.7246 15.7448 15.7448 16.1921 16.1921 16.3471 16.3471 16.4905 16.4905 17.1557 17.1557 17.5017 17.5017 18.1932 18.1932 18.3852 18.3852 18.5321 18.5321 18.5846 18.5846 19.2595 19.2595 19.6930 19.6930 19.7335 19.7335 k = 0.5000 0.0401 0.5557 ( 4872 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5040 -25.5040 -25.5038 -25.5038 -22.3816 -22.3816 -22.3805 -22.3805 -22.2825 -22.2825 -22.2814 -22.2814 -3.2946 -3.2946 -3.2922 -3.2922 -2.2940 -2.2940 -2.2545 -2.2545 -2.2512 -2.2512 10.1967 10.1967 13.4739 13.4739 13.6031 13.6031 14.4284 14.4284 15.3198 15.3198 15.7242 15.7242 15.7514 15.7514 16.1933 16.1933 16.3543 16.3543 16.5174 16.5174 17.1271 17.1271 17.4894 17.4894 18.1932 18.1932 18.3763 18.3763 18.5468 18.5468 18.6226 18.6226 19.2470 19.2470 19.7162 19.7162 19.7748 19.7748 k = 0.5000 0.0481 0.5443 ( 4862 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5039 -25.5039 -25.5038 -25.5038 -22.3811 -22.3811 -22.3800 -22.3800 -22.2830 -22.2830 -22.2819 -22.2819 -3.2947 -3.2947 -3.2921 -3.2921 -2.2940 -2.2940 -2.2545 -2.2545 -2.2511 -2.2511 10.1876 10.1876 13.4514 13.4514 13.6168 13.6168 14.4524 14.4524 15.2704 15.2704 15.7237 15.7237 15.7576 15.7576 16.1950 16.1950 16.3601 16.3601 16.5481 16.5481 17.0931 17.0931 17.4784 17.4784 18.1937 18.1937 18.3679 18.3679 18.5615 18.5615 18.6621 18.6621 19.2332 19.2332 19.7468 19.7468 19.8242 19.8242 k = 0.5000 0.0561 0.5330 ( 4866 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5039 -25.5039 -25.5038 -25.5038 -22.3804 -22.3804 -22.3794 -22.3794 -22.2837 -22.2837 -22.2825 -22.2825 -3.2947 -3.2947 -3.2919 -3.2919 -2.2939 -2.2939 -2.2545 -2.2545 -2.2511 -2.2511 10.1771 10.1771 13.4246 13.4246 13.6343 13.6343 14.4794 14.4794 15.2184 15.2184 15.7230 15.7230 15.7633 15.7633 16.1970 16.1970 16.3647 16.3647 16.5809 16.5809 17.0549 17.0549 17.4690 17.4690 18.1950 18.1950 18.3606 18.3606 18.5758 18.5758 18.7004 18.7004 19.2185 19.2185 19.7857 19.7857 19.8816 19.8816 k = 0.5000 0.0642 0.5217 ( 4868 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5039 -25.5039 -25.5037 -25.5037 -22.3798 -22.3798 -22.3787 -22.3787 -22.2844 -22.2844 -22.2833 -22.2833 -3.2948 -3.2948 -3.2917 -3.2917 -2.2939 -2.2939 -2.2545 -2.2545 -2.2511 -2.2511 10.1654 10.1654 13.3943 13.3943 13.6550 13.6550 14.5089 14.5089 15.1652 15.1652 15.7221 15.7221 15.7687 15.7687 16.1996 16.1996 16.3683 16.3683 16.6139 16.6139 17.0141 17.0141 17.4611 17.4611 18.1972 18.1972 18.3544 18.3544 18.5894 18.5894 18.7354 18.7354 19.2031 19.2031 19.8340 19.8340 19.9467 19.9467 k = 0.5000 0.0722 0.5103 ( 4870 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5039 -25.5039 -25.5037 -25.5037 -22.3790 -22.3790 -22.3779 -22.3779 -22.2852 -22.2852 -22.2841 -22.2841 -3.2949 -3.2949 -3.2915 -3.2915 -2.2938 -2.2938 -2.2544 -2.2544 -2.2511 -2.2511 10.1525 10.1525 13.3614 13.3614 13.6785 13.6785 14.5406 14.5406 15.1116 15.1116 15.7210 15.7210 15.7737 15.7737 16.2026 16.2026 16.3710 16.3710 16.6457 16.6457 16.9721 16.9721 17.4544 17.4544 18.2003 18.2003 18.3496 18.3496 18.6023 18.6023 18.7653 18.7653 19.1872 19.1872 19.8921 19.8921 20.0196 20.0196 k = 0.5000 0.0802 0.4990 ( 4876 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5038 -25.5038 -25.5037 -25.5037 -22.3781 -22.3781 -22.3770 -22.3770 -22.2861 -22.2861 -22.2850 -22.2850 -3.2949 -3.2949 -3.2913 -3.2913 -2.2937 -2.2937 -2.2544 -2.2544 -2.2510 -2.2510 10.1386 10.1386 13.3264 13.3264 13.7044 13.7044 14.5742 14.5742 15.0583 15.0583 15.7197 15.7197 15.7783 15.7783 16.2061 16.2061 16.3728 16.3728 16.6748 16.6748 16.9306 16.9306 17.4486 17.4486 18.2045 18.2045 18.3464 18.3464 18.6141 18.6141 18.7892 18.7892 19.1709 19.1709 19.9605 19.9605 20.1002 20.1002 k = 0.5000 0.0882 0.4876 ( 4876 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5038 -25.5038 -25.5036 -25.5036 -22.3771 -22.3771 -22.3761 -22.3761 -22.2871 -22.2871 -22.2860 -22.2860 -3.2950 -3.2950 -3.2911 -3.2911 -2.2936 -2.2936 -2.2544 -2.2544 -2.2510 -2.2510 10.1238 10.1238 13.2898 13.2898 13.7323 13.7323 14.6093 14.6093 15.0059 15.0059 15.7182 15.7182 15.7825 15.7825 16.2100 16.2100 16.3735 16.3735 16.7000 16.7000 16.8915 16.8915 17.4430 17.4430 18.2099 18.2099 18.3447 18.3447 18.6249 18.6249 18.8068 18.8068 19.1543 19.1543 20.0388 20.0388 20.1884 20.1884 k = 0.5000 0.0962 0.4763 ( 4880 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5038 -25.5038 -25.5036 -25.5036 -22.3761 -22.3761 -22.3750 -22.3750 -22.2882 -22.2882 -22.2871 -22.2871 -3.2951 -3.2951 -3.2909 -3.2909 -2.2936 -2.2936 -2.2543 -2.2543 -2.2509 -2.2509 10.1083 10.1083 13.2518 13.2518 13.7620 13.7620 14.6455 14.6455 14.9552 14.9552 15.7165 15.7165 15.7863 15.7863 16.2142 16.2142 16.3727 16.3727 16.7193 16.7193 16.8572 16.8572 17.4375 17.4375 18.2165 18.2165 18.3446 18.3446 18.6346 18.6346 18.8182 18.8182 19.1374 19.1374 20.1266 20.1266 20.2840 20.2840 k = 0.5000 0.1042 0.4649 ( 4872 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5037 -25.5037 -25.5035 -25.5035 -22.3749 -22.3749 -22.3739 -22.3739 -22.2893 -22.2893 -22.2883 -22.2883 -3.2951 -3.2951 -3.2907 -3.2907 -2.2935 -2.2935 -2.2543 -2.2543 -2.2509 -2.2509 10.0923 10.0923 13.2131 13.2131 13.7931 13.7931 14.6822 14.6822 14.9068 14.9068 15.7146 15.7146 15.7898 15.7898 16.2187 16.2187 16.3702 16.3702 16.7295 16.7295 16.8316 16.8316 17.4316 17.4316 18.2244 18.2244 18.3460 18.3460 18.6432 18.6432 18.8238 18.8238 19.1204 19.1204 20.2231 20.2231 20.3869 20.3869 k = 0.5000 0.1123 0.4536 ( 4868 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5037 -25.5037 -25.5034 -25.5034 -22.3737 -22.3737 -22.3727 -22.3727 -22.2905 -22.2905 -22.2895 -22.2895 -3.2952 -3.2952 -3.2905 -3.2905 -2.2934 -2.2934 -2.2543 -2.2543 -2.2508 -2.2508 10.0758 10.0758 13.1737 13.1737 13.8253 13.8253 14.7174 14.7174 14.8628 14.8628 15.7125 15.7125 15.7928 15.7928 16.2232 16.2232 16.3654 16.3654 16.7270 16.7270 16.8192 16.8192 17.4252 17.4252 18.2338 18.2338 18.3490 18.3490 18.6505 18.6505 18.8243 18.8243 19.1032 19.1032 20.3273 20.3273 20.4967 20.4967 k = 0.5000 0.1203 0.4423 ( 4866 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5036 -25.5036 -25.5033 -25.5033 -22.3724 -22.3724 -22.3714 -22.3714 -22.2918 -22.2918 -22.2909 -22.2909 -3.2952 -3.2952 -3.2902 -3.2902 -2.2933 -2.2933 -2.2543 -2.2543 -2.2507 -2.2507 10.0590 10.0590 13.1341 13.1341 13.8584 13.8584 14.7435 14.7435 14.8311 14.8311 15.7104 15.7104 15.7955 15.7955 16.2273 16.2273 16.3582 16.3582 16.7145 16.7145 16.8182 16.8182 17.4181 17.4181 18.2445 18.2445 18.3535 18.3535 18.6566 18.6566 18.8203 18.8203 19.0860 19.0860 20.4386 20.4386 20.6132 20.6132 k = 0.5000 0.1283 0.4309 ( 4866 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5036 -25.5036 -25.5033 -25.5033 -22.3710 -22.3710 -22.3700 -22.3700 -22.2932 -22.2932 -22.2923 -22.2923 -3.2953 -3.2953 -3.2900 -3.2900 -2.2932 -2.2932 -2.2542 -2.2542 -2.2507 -2.2507 10.0421 10.0421 13.0945 13.0945 13.8921 13.8921 14.7370 14.7370 14.8349 14.8349 15.7083 15.7083 15.7976 15.7976 16.2305 16.2305 16.3484 16.3484 16.6994 16.6994 16.8217 16.8217 17.4101 17.4101 18.2567 18.2567 18.3592 18.3592 18.6615 18.6615 18.8126 18.8126 19.0690 19.0690 20.5559 20.5559 20.7360 20.7360 k = 0.5000 0.1363 0.4196 ( 4878 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5036 -25.5036 -25.5032 -25.5032 -22.3696 -22.3696 -22.3686 -22.3686 -22.2947 -22.2947 -22.2938 -22.2938 -3.2954 -3.2954 -3.2898 -3.2898 -2.2931 -2.2931 -2.2542 -2.2542 -2.2506 -2.2506 10.0252 10.0252 13.0552 13.0552 13.9260 13.9260 14.7050 14.7050 14.8673 14.8673 15.7062 15.7062 15.7994 15.7994 16.2320 16.2320 16.3365 16.3365 16.6864 16.6864 16.8257 16.8257 17.4012 17.4012 18.2701 18.2701 18.3662 18.3662 18.6652 18.6652 18.8019 18.8019 19.0522 19.0522 20.6786 20.6786 20.8648 20.8648 k = 0.5000 0.1443 0.4082 ( 4882 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5035 -25.5035 -25.5032 -25.5032 -22.3681 -22.3681 -22.3671 -22.3671 -22.2963 -22.2963 -22.2954 -22.2954 -3.2954 -3.2954 -3.2895 -3.2895 -2.2930 -2.2930 -2.2542 -2.2542 -2.2505 -2.2505 10.0084 10.0084 13.0164 13.0164 13.9599 13.9599 14.6683 14.6683 14.9075 14.9075 15.7044 15.7044 15.8007 15.8007 16.2307 16.2307 16.3236 16.3236 16.6770 16.6770 16.8288 16.8288 17.3914 17.3914 18.2849 18.2849 18.3741 18.3741 18.6676 18.6676 18.7887 18.7887 19.0359 19.0359 20.8060 20.8060 20.9992 20.9992 k = 0.5000 0.1524 0.3969 ( 4878 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5035 -25.5035 -25.5031 -25.5031 -22.3665 -22.3665 -22.3656 -22.3656 -22.2979 -22.2979 -22.2970 -22.2970 -3.2955 -3.2955 -3.2893 -3.2893 -2.2930 -2.2930 -2.2542 -2.2542 -2.2504 -2.2504 9.9918 9.9918 12.9784 12.9784 13.9935 13.9935 14.6319 14.6319 14.9504 14.9504 15.7030 15.7030 15.8016 15.8016 16.2252 16.2252 16.3113 16.3113 16.6713 16.6713 16.8307 16.8307 17.3807 17.3807 18.3007 18.3007 18.3828 18.3828 18.6687 18.6687 18.7736 18.7736 19.0202 19.0202 20.9375 20.9375 21.1386 21.1386 k = 0.5000 0.1604 0.3856 ( 4876 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5035 -25.5035 -25.5030 -25.5030 -22.3648 -22.3648 -22.3639 -22.3639 -22.2995 -22.2995 -22.2987 -22.2987 -3.2955 -3.2955 -3.2891 -3.2891 -2.2929 -2.2929 -2.2541 -2.2541 -2.2503 -2.2503 9.9756 9.9756 12.9414 12.9414 14.0265 14.0265 14.5970 14.5970 14.9948 14.9948 15.7020 15.7020 15.8023 15.8023 16.2143 16.2143 16.3008 16.3008 16.6690 16.6690 16.8316 16.8316 17.3692 17.3692 18.3175 18.3175 18.3921 18.3921 18.6684 18.6684 18.7572 18.7572 19.0052 19.0052 21.0725 21.0725 21.2828 21.2828 k = 0.5000 0.1684 0.3742 ( 4876 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5034 -25.5034 -25.5029 -25.5029 -22.3631 -22.3631 -22.3622 -22.3622 -22.3013 -22.3013 -22.3004 -22.3004 -3.2956 -3.2956 -3.2889 -3.2889 -2.2928 -2.2928 -2.2541 -2.2541 -2.2502 -2.2502 9.9599 9.9599 12.9056 12.9056 14.0586 14.0586 14.5640 14.5640 15.0402 15.0402 15.7017 15.7017 15.8026 15.8026 16.1983 16.1983 16.2920 16.2920 16.6693 16.6693 16.8322 16.8322 17.3571 17.3571 18.3350 18.3350 18.4018 18.4018 18.6667 18.6667 18.7399 18.7399 18.9912 18.9912 21.2105 21.2105 21.4311 21.4311 k = 0.5000 0.1764 0.3629 ( 4870 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5034 -25.5034 -25.5028 -25.5028 -22.3613 -22.3613 -22.3604 -22.3604 -22.3030 -22.3030 -22.3022 -22.3022 -3.2956 -3.2956 -3.2887 -3.2887 -2.2927 -2.2927 -2.2541 -2.2541 -2.2501 -2.2501 9.9447 9.9447 12.8712 12.8712 14.0896 14.0896 14.5332 14.5332 15.0862 15.0862 15.7021 15.7021 15.8028 15.8028 16.1786 16.1786 16.2836 16.2836 16.6717 16.6717 16.8329 16.8329 17.3445 17.3445 18.3530 18.3530 18.4116 18.4116 18.6636 18.6636 18.7222 18.7222 18.9783 18.9783 21.3511 21.3511 21.5831 21.5831 k = 0.5000 0.1844 0.3515 ( 4868 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5033 -25.5033 -25.5028 -25.5028 -22.3595 -22.3595 -22.3586 -22.3586 -22.3049 -22.3049 -22.3041 -22.3041 -3.2956 -3.2956 -3.2884 -3.2884 -2.2927 -2.2927 -2.2541 -2.2541 -2.2500 -2.2500 9.9301 9.9301 12.8384 12.8384 14.1192 14.1192 14.5045 14.5045 15.1328 15.1328 15.7035 15.7035 15.8028 15.8028 16.1565 16.1565 16.2740 16.2740 16.6756 16.6756 16.8342 16.8342 17.3315 17.3315 18.3712 18.3712 18.4215 18.4215 18.6589 18.6589 18.7046 18.7046 18.9668 18.9668 21.4937 21.4937 21.7382 21.7382 k = 0.5000 0.1925 0.3402 ( 4870 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5033 -25.5033 -25.5027 -25.5027 -22.3576 -22.3576 -22.3568 -22.3568 -22.3068 -22.3068 -22.3060 -22.3060 -3.2957 -3.2957 -3.2883 -3.2883 -2.2926 -2.2926 -2.2541 -2.2541 -2.2499 -2.2499 9.9163 9.9163 12.8073 12.8073 14.1471 14.1471 14.4781 14.4781 15.1798 15.1798 15.7058 15.7058 15.8028 15.8028 16.1332 16.1332 16.2621 16.2621 16.6807 16.6807 16.8364 16.8364 17.3184 17.3184 18.3892 18.3892 18.4311 18.4311 18.6525 18.6525 18.6878 18.6878 18.9565 18.9565 21.6379 21.6379 21.8959 21.8959 k = 0.5000 0.2005 0.3289 ( 4866 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5032 -25.5032 -25.5026 -25.5026 -22.3557 -22.3557 -22.3548 -22.3548 -22.3087 -22.3087 -22.3079 -22.3079 -3.2957 -3.2957 -3.2881 -3.2881 -2.2925 -2.2925 -2.2541 -2.2541 -2.2498 -2.2498 9.9034 9.9034 12.7781 12.7781 14.1732 14.1732 14.4540 14.4540 15.2269 15.2269 15.7093 15.7093 15.8030 15.8030 16.1093 16.1093 16.2473 16.2473 16.6866 16.6866 16.8396 16.8396 17.3054 17.3054 18.4068 18.4068 18.4404 18.4404 18.6442 18.6442 18.6725 18.6725 18.9477 18.9477 21.7831 21.7831 22.0554 22.0554 k = 0.5000 0.2085 0.3175 ( 4866 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5032 -25.5032 -25.5026 -25.5026 -22.3537 -22.3537 -22.3529 -22.3529 -22.3107 -22.3107 -22.3100 -22.3100 -3.2957 -3.2957 -3.2879 -3.2879 -2.2925 -2.2925 -2.2541 -2.2541 -2.2497 -2.2497 9.8913 9.8913 12.7511 12.7511 14.1973 14.1973 14.4322 14.4322 15.2741 15.2741 15.7140 15.7140 15.8034 15.8034 16.0853 16.0853 16.2292 16.2292 16.6930 16.6930 16.8440 16.8440 17.2926 17.2926 18.4232 18.4232 18.4494 18.4494 18.6337 18.6337 18.6596 18.6596 18.9403 18.9403 21.9286 21.9286 22.2159 22.2159 k = 0.5000 0.2165 0.3062 ( 4868 PWs) bands (ev): -52.8965 -52.8965 -52.8965 -52.8965 -25.5032 -25.5032 -25.5025 -25.5025 -22.3517 -22.3517 -22.3509 -22.3509 -22.3127 -22.3127 -22.3120 -22.3120 -3.2958 -3.2958 -3.2877 -3.2877 -2.2924 -2.2924 -2.2541 -2.2541 -2.2496 -2.2496 9.8802 9.8802 12.7261 12.7261 14.2190 14.2190 14.4128 14.4128 15.3210 15.3210 15.7198 15.7198 15.8041 15.8041 16.0612 16.0612 16.2078 16.2078 16.6999 16.6999 16.8492 16.8492 17.2804 17.2804 18.4379 18.4379 18.4583 18.4583 18.6215 18.6215 18.6491 18.6491 18.9341 18.9341 22.0735 22.0735 22.3766 22.3766 k = 0.5000 0.2245 0.2948 ( 4870 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5032 -25.5032 -25.5025 -25.5025 -22.3497 -22.3497 -22.3488 -22.3488 -22.3148 -22.3148 -22.3141 -22.3141 -3.2958 -3.2958 -3.2876 -3.2876 -2.2924 -2.2924 -2.2541 -2.2541 -2.2495 -2.2495 9.8701 9.8701 12.7035 12.7035 14.2383 14.2383 14.3959 14.3959 15.3675 15.3675 15.7266 15.7266 15.8055 15.8055 16.0372 16.0372 16.1835 16.1835 16.7069 16.7069 16.8551 16.8551 17.2689 17.2689 18.4497 18.4497 18.4678 18.4678 18.6088 18.6088 18.6407 18.6407 18.9292 18.9292 22.2168 22.2168 22.5362 22.5362 k = 0.5000 0.2325 0.2835 ( 4866 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5031 -25.5031 -25.5024 -25.5024 -22.3476 -22.3476 -22.3467 -22.3467 -22.3169 -22.3169 -22.3162 -22.3162 -3.2958 -3.2958 -3.2875 -3.2875 -2.2923 -2.2923 -2.2541 -2.2541 -2.2495 -2.2495 9.8610 9.8610 12.6834 12.6834 14.2548 14.2548 14.3815 14.3815 15.4129 15.4129 15.7345 15.7345 15.8078 15.8078 16.0133 16.0133 16.1566 16.1566 16.7138 16.7138 16.8614 16.8614 17.2583 17.2583 18.4578 18.4578 18.4780 18.4780 18.5966 18.5966 18.6338 18.6338 18.9253 18.9253 22.3570 22.3570 22.6932 22.6932 k = 0.5000 0.2406 0.2722 ( 4862 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5031 -25.5031 -25.5024 -25.5024 -22.3455 -22.3455 -22.3446 -22.3446 -22.3190 -22.3190 -22.3183 -22.3183 -3.2958 -3.2958 -3.2873 -3.2873 -2.2923 -2.2923 -2.2541 -2.2541 -2.2494 -2.2494 9.8531 9.8531 12.6657 12.6657 14.2684 14.2684 14.3699 14.3699 15.4569 15.4569 15.7433 15.7433 15.8112 15.8112 15.9895 15.9895 16.1280 16.1280 16.7204 16.7204 16.8676 16.8676 17.2488 17.2488 18.4630 18.4630 18.4881 18.4881 18.5856 18.5856 18.6285 18.6285 18.9223 18.9223 22.4919 22.4919 22.8453 22.8453 k = 0.5000 0.2486 0.2608 ( 4866 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5031 -25.5031 -25.5024 -25.5024 -22.3434 -22.3434 -22.3425 -22.3425 -22.3211 -22.3211 -22.3205 -22.3205 -3.2959 -3.2959 -3.2872 -3.2872 -2.2923 -2.2923 -2.2540 -2.2540 -2.2493 -2.2493 9.8464 9.8464 12.6506 12.6506 14.2788 14.2788 14.3612 14.3612 15.4986 15.4986 15.7528 15.7528 15.8159 15.8159 15.9657 15.9657 16.0986 16.0986 16.7264 16.7264 16.8734 16.8734 17.2405 17.2405 18.4661 18.4661 18.4971 18.4971 18.5760 18.5760 18.6246 18.6246 18.9200 18.9200 22.6185 22.6185 22.9892 22.9892 k = 0.5000 0.2566 0.2495 ( 4860 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5031 -25.5031 -25.5023 -25.5023 -22.3413 -22.3413 -22.3403 -22.3403 -22.3233 -22.3233 -22.3227 -22.3227 -3.2959 -3.2959 -3.2872 -3.2872 -2.2922 -2.2922 -2.2540 -2.2540 -2.2493 -2.2493 9.8408 9.8408 12.6381 12.6381 14.2859 14.2859 14.3556 14.3556 15.5367 15.5367 15.7635 15.7635 15.8220 15.8220 15.9416 15.9416 16.0697 16.0697 16.7316 16.7316 16.8787 16.8787 17.2336 17.2336 18.4677 18.4677 18.5044 18.5044 18.5682 18.5682 18.6221 18.6221 18.9183 18.9183 22.7325 22.7325 23.1191 23.1191 k = 0.5000 0.2646 0.2381 ( 4862 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5031 -25.5031 -25.5023 -25.5023 -22.3391 -22.3391 -22.3381 -22.3381 -22.3254 -22.3254 -22.3248 -22.3248 -3.2959 -3.2959 -3.2871 -3.2871 -2.2922 -2.2922 -2.2540 -2.2540 -2.2492 -2.2492 9.8364 9.8364 12.6284 12.6284 14.2900 14.2900 14.3527 14.3527 15.5698 15.5698 15.7756 15.7756 15.8292 15.8292 15.9174 15.9174 16.0430 16.0430 16.7359 16.7359 16.8830 16.8830 17.2281 17.2281 18.4683 18.4683 18.5100 18.5100 18.5621 18.5621 18.6207 18.6207 18.9172 18.9172 22.8285 22.8285 23.2252 23.2252 k = 0.5000 0.2726 0.2268 ( 4866 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5031 -25.5031 -25.5023 -25.5023 -22.3371 -22.3371 -22.3359 -22.3359 -22.3275 -22.3275 -22.3271 -22.3271 -3.2959 -3.2959 -3.2870 -3.2870 -2.2922 -2.2922 -2.2540 -2.2540 -2.2492 -2.2492 9.8333 9.8333 12.6214 12.6214 14.2918 14.2918 14.3516 14.3516 15.5955 15.5955 15.7898 15.7898 15.8365 15.8365 15.8934 15.8934 16.0206 16.0206 16.7390 16.7390 16.8863 16.8863 17.2242 17.2242 18.4684 18.4684 18.5138 18.5138 18.5577 18.5577 18.6201 18.6201 18.9164 18.9164 22.9005 22.9005 23.2956 23.2956 k = 0.5000 0.2807 0.2155 ( 4860 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5030 -25.5030 -25.5023 -25.5023 -22.3352 -22.3352 -22.3338 -22.3338 -22.3294 -22.3294 -22.3292 -22.3292 -3.2959 -3.2959 -3.2870 -3.2870 -2.2922 -2.2922 -2.2540 -2.2540 -2.2492 -2.2492 9.8314 9.8314 12.6172 12.6172 14.2924 14.2924 14.3515 14.3515 15.6119 15.6119 15.8053 15.8053 15.8423 15.8423 15.8715 15.8715 16.0053 16.0053 16.7409 16.7409 16.8883 16.8883 17.2218 17.2218 18.4682 18.4682 18.5160 18.5160 18.5552 18.5552 18.6199 18.6199 18.9160 18.9160 22.9443 22.9443 23.3308 23.3308 k = 0.5000 0.2887 0.2041 ( 4850 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5030 -25.5030 -25.5022 -25.5022 -22.3341 -22.3341 -22.3320 -22.3320 -22.3309 -22.3309 -22.3304 -22.3304 -3.2959 -3.2959 -3.2870 -3.2870 -2.2922 -2.2922 -2.2540 -2.2540 -2.2492 -2.2492 9.8308 9.8308 12.6158 12.6158 14.2925 14.2925 14.3516 14.3516 15.6176 15.6176 15.8144 15.8144 15.8446 15.8446 15.8602 15.8602 15.9999 15.9999 16.7416 16.7416 16.8890 16.8890 17.2210 17.2210 18.4682 18.4682 18.5167 18.5167 18.5543 18.5543 18.6199 18.6199 18.9158 18.9158 22.9589 22.9589 23.3414 23.3414 k = 0.5000 0.2887 0.2041 ( 4850 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5030 -25.5030 -25.5022 -25.5022 -22.3341 -22.3341 -22.3320 -22.3320 -22.3309 -22.3309 -22.3304 -22.3304 -3.2959 -3.2959 -3.2870 -3.2870 -2.2922 -2.2922 -2.2540 -2.2540 -2.2492 -2.2492 9.8308 9.8308 12.6158 12.6158 14.2925 14.2925 14.3516 14.3516 15.6176 15.6176 15.8144 15.8144 15.8446 15.8446 15.8602 15.8602 15.9999 15.9999 16.7416 16.7416 16.8890 16.8890 17.2210 17.2210 18.4682 18.4682 18.5167 18.5167 18.5543 18.5543 18.6199 18.6199 18.9158 18.9158 22.9589 22.9589 23.3414 23.3414 k = 0.4961 0.2864 0.2169 ( 4860 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5030 -25.5030 -25.5023 -25.5023 -22.3351 -22.3351 -22.3337 -22.3337 -22.3294 -22.3294 -22.3293 -22.3293 -3.2959 -3.2959 -3.2870 -3.2870 -2.2922 -2.2922 -2.2540 -2.2540 -2.2492 -2.2492 9.8314 9.8314 12.6172 12.6172 14.2924 14.2924 14.3515 14.3515 15.6122 15.6122 15.8057 15.8057 15.8424 15.8424 15.8710 15.8710 16.0051 16.0051 16.7410 16.7410 16.8884 16.8884 17.2217 17.2217 18.4682 18.4682 18.5160 18.5160 18.5551 18.5551 18.6199 18.6199 18.9160 18.9160 22.9450 22.9450 23.3314 23.3314 k = 0.4922 0.2842 0.2296 ( 4868 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5031 -25.5031 -25.5023 -25.5023 -22.3370 -22.3370 -22.3358 -22.3358 -22.3276 -22.3276 -22.3272 -22.3272 -3.2959 -3.2959 -3.2870 -3.2870 -2.2922 -2.2922 -2.2540 -2.2540 -2.2492 -2.2492 9.8331 9.8331 12.6212 12.6212 14.2919 14.2919 14.3516 14.3516 15.5966 15.5966 15.7906 15.7906 15.8369 15.8369 15.8922 15.8922 16.0196 16.0196 16.7391 16.7391 16.8864 16.8864 17.2240 17.2240 18.4683 18.4683 18.5140 18.5140 18.5576 18.5576 18.6201 18.6201 18.9164 18.9164 22.9033 22.9033 23.2987 23.2987 k = 0.4883 0.2819 0.2424 ( 4867 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5031 -25.5031 -25.5023 -25.5023 -22.3390 -22.3390 -22.3380 -22.3380 -22.3256 -22.3256 -22.3250 -22.3250 -3.2959 -3.2959 -3.2871 -3.2871 -2.2922 -2.2922 -2.2540 -2.2540 -2.2492 -2.2492 9.8361 9.8361 12.6278 12.6278 14.2902 14.2902 14.3525 14.3525 15.5721 15.5721 15.7763 15.7763 15.8302 15.8302 15.9155 15.9155 16.0410 16.0410 16.7362 16.7362 16.8833 16.8833 17.2278 17.2278 18.4683 18.4683 18.5103 18.5103 18.5617 18.5617 18.6207 18.6207 18.9171 18.9171 22.8343 22.8343 23.2362 23.2362 k = 0.4844 0.2797 0.2552 ( 4864 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5031 -25.5031 -25.5023 -25.5023 -22.3410 -22.3410 -22.3401 -22.3401 -22.3235 -22.3235 -22.3229 -22.3229 -3.2959 -3.2959 -3.2871 -3.2871 -2.2922 -2.2922 -2.2540 -2.2540 -2.2493 -2.2493 9.8403 9.8403 12.6370 12.6370 14.2865 14.2865 14.3552 14.3552 15.5405 15.5405 15.7634 15.7634 15.8241 15.8241 15.9390 15.9390 16.0668 16.0668 16.7321 16.7321 16.8792 16.8792 17.2330 17.2330 18.4678 18.4678 18.5051 18.5051 18.5675 18.5675 18.6220 18.6220 18.9182 18.9182 22.7406 22.7406 23.1437 23.1437 k = 0.4805 0.2774 0.2679 ( 4872 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5031 -25.5031 -25.5024 -25.5024 -22.3431 -22.3431 -22.3422 -22.3422 -22.3214 -22.3214 -22.3208 -22.3208 -3.2959 -3.2959 -3.2872 -3.2872 -2.2923 -2.2923 -2.2540 -2.2540 -2.2493 -2.2493 9.8456 9.8456 12.6488 12.6488 14.2800 14.2800 14.3603 14.3603 15.5040 15.5040 15.7511 15.7511 15.8199 15.8199 15.9623 15.9623 16.0946 16.0946 16.7271 16.7271 16.8742 16.8742 17.2395 17.2395 18.4663 18.4663 18.4980 18.4980 18.5749 18.5749 18.6246 18.6246 18.9197 18.9197 22.6270 22.6270 23.0312 23.0312 k = 0.4766 0.2751 0.2807 ( 4866 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5031 -25.5031 -25.5024 -25.5024 -22.3452 -22.3452 -22.3443 -22.3443 -22.3193 -22.3193 -22.3187 -22.3187 -3.2959 -3.2959 -3.2873 -3.2873 -2.2923 -2.2923 -2.2541 -2.2541 -2.2494 -2.2494 9.8520 9.8520 12.6632 12.6632 14.2705 14.2705 14.3681 14.3681 15.4640 15.4640 15.7387 15.7387 15.8181 15.8181 15.9855 15.9855 16.1230 16.1230 16.7214 16.7214 16.8686 16.8686 17.2474 17.2474 18.4634 18.4634 18.4892 18.4892 18.5839 18.5839 18.6287 18.6287 18.9216 18.9216 22.4985 22.4985 22.9073 22.9073 k = 0.4727 0.2729 0.2934 ( 4863 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5031 -25.5031 -25.5024 -25.5024 -22.3472 -22.3472 -22.3463 -22.3463 -22.3173 -22.3173 -22.3166 -22.3166 -3.2958 -3.2958 -3.2874 -3.2874 -2.2923 -2.2923 -2.2541 -2.2541 -2.2494 -2.2494 9.8595 9.8595 12.6800 12.6800 14.2579 14.2579 14.3788 14.3788 15.4218 15.4218 15.7260 15.7260 15.8189 15.8189 16.0087 16.0087 16.1505 16.1505 16.7150 16.7150 16.8627 16.8627 17.2563 17.2563 18.4585 18.4585 18.4791 18.4791 18.5944 18.5944 18.6348 18.6348 18.9240 18.9240 22.3595 22.3595 22.7772 22.7772 k = 0.4688 0.2706 0.3062 ( 4867 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5032 -25.5032 -25.5025 -25.5025 -22.3493 -22.3493 -22.3484 -22.3484 -22.3152 -22.3152 -22.3145 -22.3145 -3.2958 -3.2958 -3.2876 -3.2876 -2.2924 -2.2924 -2.2541 -2.2541 -2.2495 -2.2495 9.8681 9.8681 12.6992 12.6992 14.2427 14.2427 14.3919 14.3919 15.3781 15.3781 15.7129 15.7129 15.8222 15.8222 16.0319 16.0319 16.1764 16.1764 16.7081 16.7081 16.8570 16.8570 17.2662 17.2662 18.4505 18.4505 18.4687 18.4687 18.6062 18.6062 18.6430 18.6430 18.9270 18.9270 22.2135 22.2135 22.6435 22.6435 k = 0.4648 0.2684 0.3189 ( 4867 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5032 -25.5032 -25.5025 -25.5025 -22.3513 -22.3513 -22.3503 -22.3503 -22.3132 -22.3132 -22.3125 -22.3125 -3.2958 -3.2958 -3.2877 -3.2877 -2.2924 -2.2924 -2.2541 -2.2541 -2.2496 -2.2496 9.8777 9.8777 12.7207 12.7207 14.2250 14.2250 14.4073 14.4073 15.3334 15.3334 15.6996 15.6996 15.8278 15.8278 16.0552 16.0552 16.1998 16.1998 16.7009 16.7009 16.8518 16.8518 17.2768 17.2768 18.4387 18.4387 18.4588 18.4588 18.6190 18.6190 18.6532 18.6532 18.9304 18.9304 22.0630 22.0630 22.5079 22.5079 k = 0.4609 0.2661 0.3317 ( 4863 PWs) bands (ev): -52.8966 -52.8966 -52.8965 -52.8965 -25.5032 -25.5032 -25.5025 -25.5025 -22.3533 -22.3533 -22.3523 -22.3523 -22.3113 -22.3113 -22.3104 -22.3104 -3.2958 -3.2958 -3.2878 -3.2878 -2.2925 -2.2925 -2.2541 -2.2541 -2.2497 -2.2497 9.8883 9.8883 12.7443 12.7443 14.2051 14.2051 14.4249 14.4249 15.2881 15.2881 15.6863 15.6863 15.8354 15.8354 16.0786 16.0786 16.2202 16.2202 16.6932 16.6932 16.8477 16.8477 17.2878 17.2878 18.4235 18.4235 18.4493 18.4493 18.6328 18.6328 18.6653 18.6653 18.9344 18.9344 21.9101 21.9101 22.3714 22.3714 k = 0.4570 0.2639 0.3445 ( 4867 PWs) bands (ev): -52.8966 -52.8966 -52.8964 -52.8964 -25.5033 -25.5033 -25.5025 -25.5025 -22.3553 -22.3553 -22.3541 -22.3541 -22.3094 -22.3094 -22.3084 -22.3084 -3.2957 -3.2957 -3.2880 -3.2880 -2.2925 -2.2925 -2.2541 -2.2541 -2.2498 -2.2498 9.8998 9.8998 12.7701 12.7701 14.1832 14.1832 14.4445 14.4445 15.2425 15.2425 15.6729 15.6729 15.8452 15.8452 16.1019 16.1019 16.2376 16.2376 16.6850 16.6850 16.8453 16.8453 17.2991 17.2991 18.4061 18.4061 18.4395 18.4395 18.6471 18.6471 18.6793 18.6793 18.9388 18.9388 21.7564 21.7564 22.2347 22.2347 k = 0.4531 0.2616 0.3572 ( 4866 PWs) bands (ev): -52.8967 -52.8967 -52.8964 -52.8964 -25.5034 -25.5034 -25.5025 -25.5025 -22.3573 -22.3573 -22.3559 -22.3559 -22.3075 -22.3075 -22.3064 -22.3064 -3.2957 -3.2957 -3.2882 -3.2882 -2.2926 -2.2926 -2.2541 -2.2541 -2.2499 -2.2499 9.9122 9.9122 12.7978 12.7978 14.1596 14.1596 14.4661 14.4661 15.1966 15.1966 15.6597 15.6597 15.8569 15.8569 16.1249 16.1249 16.2520 16.2520 16.6760 16.6760 16.8450 16.8450 17.3103 17.3103 18.3874 18.3874 18.4291 18.4291 18.6619 18.6619 18.6948 18.6948 18.9436 18.9436 21.6032 21.6032 22.0984 22.0984 k = 0.4492 0.2594 0.3700 ( 4864 PWs) bands (ev): -52.8967 -52.8967 -52.8964 -52.8964 -25.5035 -25.5035 -25.5025 -25.5025 -22.3592 -22.3592 -22.3577 -22.3577 -22.3057 -22.3057 -22.3045 -22.3045 -3.2957 -3.2957 -3.2884 -3.2884 -2.2926 -2.2926 -2.2541 -2.2541 -2.2500 -2.2500 9.9253 9.9253 12.8273 12.8273 14.1346 14.1346 14.4894 14.4894 15.1506 15.1506 15.6467 15.6467 15.8704 15.8704 16.1472 16.1472 16.2638 16.2638 16.6659 16.6659 16.8473 16.8473 17.3211 17.3211 18.3679 18.3679 18.4178 18.4178 18.6768 18.6768 18.7117 18.7117 18.9487 18.9487 21.4515 21.4515 21.9630 21.9630 k = 0.4453 0.2571 0.3827 ( 4868 PWs) bands (ev): -52.8967 -52.8967 -52.8963 -52.8963 -25.5037 -25.5037 -25.5025 -25.5025 -22.3611 -22.3611 -22.3594 -22.3594 -22.3040 -22.3040 -22.3025 -22.3025 -3.2956 -3.2956 -3.2886 -3.2886 -2.2927 -2.2927 -2.2541 -2.2541 -2.2500 -2.2500 9.9391 9.9391 12.8584 12.8584 14.1083 14.1083 14.5145 14.5145 15.1046 15.1046 15.6339 15.6339 15.8858 15.8858 16.1683 16.1683 16.2742 16.2742 16.6546 16.6546 16.8521 16.8521 17.3312 17.3312 18.3482 18.3482 18.4057 18.4057 18.6915 18.6915 18.7297 18.7297 18.9543 18.9543 21.3023 21.3023 21.8286 21.8286 k = 0.4414 0.2548 0.3955 ( 4867 PWs) bands (ev): -52.8968 -52.8968 -52.8963 -52.8963 -25.5038 -25.5038 -25.5024 -25.5024 -22.3630 -22.3630 -22.3610 -22.3610 -22.3024 -22.3024 -22.3006 -22.3006 -3.2956 -3.2956 -3.2888 -3.2888 -2.2928 -2.2928 -2.2541 -2.2541 -2.2501 -2.2501 9.9536 9.9536 12.8908 12.8908 14.0811 14.0811 14.5413 14.5413 15.0587 15.0587 15.6212 15.6212 15.9028 15.9028 16.1869 16.1869 16.2845 16.2845 16.6420 16.6420 16.8593 16.8593 17.3405 17.3405 18.3286 18.3286 18.3928 18.3928 18.7058 18.7058 18.7488 18.7488 18.9601 18.9601 21.1564 21.1564 21.6956 21.6956 k = 0.4375 0.2526 0.4082 ( 4874 PWs) bands (ev): -52.8968 -52.8968 -52.8962 -52.8962 -25.5040 -25.5040 -25.5024 -25.5024 -22.3649 -22.3649 -22.3625 -22.3625 -22.3009 -22.3009 -22.2987 -22.2987 -3.2955 -3.2955 -3.2890 -3.2890 -2.2929 -2.2929 -2.2542 -2.2542 -2.2502 -2.2502 9.9686 9.9686 12.9244 12.9244 14.0532 14.0532 14.5696 14.5696 15.0130 15.0130 15.6088 15.6088 15.9213 15.9213 16.2020 16.2020 16.2964 16.2964 16.6282 16.6282 16.8686 16.8686 17.3485 17.3485 18.3096 18.3096 18.3792 18.3792 18.7193 18.7193 18.7686 18.7686 18.9663 18.9663 21.0145 21.0145 21.5644 21.5644 k = 0.4336 0.2503 0.4210 ( 4868 PWs) bands (ev): -52.8969 -52.8969 -52.8962 -52.8962 -25.5042 -25.5042 -25.5022 -25.5022 -22.3667 -22.3667 -22.3639 -22.3639 -22.2994 -22.2994 -22.2968 -22.2968 -3.2955 -3.2955 -3.2892 -3.2892 -2.2929 -2.2929 -2.2542 -2.2542 -2.2503 -2.2503 9.9840 9.9840 12.9588 12.9588 14.0252 14.0252 14.5995 14.5995 14.9677 14.9677 15.5966 15.5966 15.9411 15.9411 16.2127 16.2127 16.3115 16.3115 16.6135 16.6135 16.8793 16.8793 17.3552 17.3552 18.2914 18.2914 18.3650 18.3650 18.7316 18.7316 18.7891 18.7891 18.9728 18.9728 20.8774 20.8774 21.4350 21.4350 k = 0.4297 0.2481 0.4338 ( 4875 PWs) bands (ev): -52.8969 -52.8969 -52.8961 -52.8961 -25.5045 -25.5045 -25.5021 -25.5021 -22.3685 -22.3685 -22.3653 -22.3653 -22.2980 -22.2980 -22.2950 -22.2950 -3.2955 -3.2955 -3.2894 -3.2894 -2.2930 -2.2930 -2.2542 -2.2542 -2.2504 -2.2504 9.9997 9.9997 12.9937 12.9937 13.9972 13.9972 14.6306 14.6306 14.9229 14.9229 15.5847 15.5847 15.9620 15.9620 16.2192 16.2192 16.3297 16.3297 16.5982 16.5982 16.8911 16.8911 17.3605 17.3605 18.2745 18.2745 18.3502 18.3502 18.7424 18.7424 18.8100 18.8100 18.9796 18.9796 20.7458 20.7458 21.3079 21.3079 k = 0.4258 0.2458 0.4465 ( 4876 PWs) bands (ev): -52.8970 -52.8970 -52.8960 -52.8960 -25.5047 -25.5047 -25.5020 -25.5020 -22.3703 -22.3703 -22.3665 -22.3665 -22.2967 -22.2967 -22.2932 -22.2932 -3.2954 -3.2954 -3.2896 -3.2896 -2.2931 -2.2931 -2.2543 -2.2543 -2.2504 -2.2504 10.0157 10.0157 13.0287 13.0287 13.9697 13.9697 14.6630 14.6630 14.8788 14.8788 15.5729 15.5729 15.9835 15.9835 16.2229 16.2229 16.3500 16.3500 16.5830 16.5830 16.9032 16.9032 17.3642 17.3642 18.2590 18.2590 18.3349 18.3349 18.7513 18.7513 18.8312 18.8312 18.9867 18.9867 20.6205 20.6205 21.1832 21.1832 k = 0.4219 0.2436 0.4593 ( 4868 PWs) bands (ev): -52.8971 -52.8971 -52.8960 -52.8960 -25.5050 -25.5050 -25.5018 -25.5018 -22.3720 -22.3720 -22.3677 -22.3677 -22.2955 -22.2955 -22.2915 -22.2915 -3.2954 -3.2954 -3.2898 -3.2898 -2.2932 -2.2932 -2.2543 -2.2543 -2.2505 -2.2505 10.0316 10.0316 13.0631 13.0631 13.9433 13.9433 14.6963 14.6963 14.8358 14.8358 15.5613 15.5613 16.0052 16.0052 16.2252 16.2252 16.3707 16.3707 16.5687 16.5687 16.9153 16.9153 17.3664 17.3664 18.2452 18.2452 18.3193 18.3193 18.7578 18.7578 18.8526 18.8526 18.9941 18.9941 20.5021 20.5021 21.0612 21.0612 k = 0.4180 0.2413 0.4720 ( 4869 PWs) bands (ev): -52.8972 -52.8972 -52.8959 -52.8959 -25.5053 -25.5053 -25.5016 -25.5016 -22.3737 -22.3737 -22.3687 -22.3687 -22.2944 -22.2944 -22.2897 -22.2897 -3.2953 -3.2953 -3.2900 -3.2900 -2.2933 -2.2933 -2.2544 -2.2544 -2.2505 -2.2505 10.0476 10.0476 13.0964 13.0964 13.9186 13.9186 14.7290 14.7290 14.7955 14.7955 15.5499 15.5499 16.0267 16.0267 16.2272 16.2272 16.3899 16.3899 16.5569 16.5569 16.9270 16.9270 17.3672 17.3672 18.2332 18.2332 18.3033 18.3033 18.7616 18.7616 18.8738 18.8738 19.0016 19.0016 20.3914 20.3914 20.9423 20.9423 k = 0.4141 0.2391 0.4848 ( 4861 PWs) bands (ev): -52.8972 -52.8972 -52.8958 -52.8958 -25.5056 -25.5056 -25.5014 -25.5014 -22.3753 -22.3753 -22.3697 -22.3697 -22.2934 -22.2934 -22.2880 -22.2880 -3.2953 -3.2953 -3.2902 -3.2902 -2.2934 -2.2934 -2.2544 -2.2544 -2.2506 -2.2506 10.0633 10.0633 13.1277 13.1277 13.8962 13.8962 14.7406 14.7406 14.7786 14.7786 15.5386 15.5386 16.0475 16.0475 16.2298 16.2298 16.4045 16.4045 16.5502 16.5502 16.9379 16.9379 17.3669 17.3669 18.2231 18.2231 18.2870 18.2870 18.7626 18.7626 18.8948 18.8948 19.0091 19.0091 20.2891 20.2891 20.8266 20.8266 k = 0.4102 0.2368 0.4976 ( 4859 PWs) bands (ev): -52.8973 -52.8973 -52.8957 -52.8957 -25.5059 -25.5059 -25.5012 -25.5012 -22.3769 -22.3769 -22.3705 -22.3705 -22.2925 -22.2925 -22.2864 -22.2864 -3.2953 -3.2953 -3.2904 -3.2904 -2.2934 -2.2934 -2.2545 -2.2545 -2.2506 -2.2506 10.0786 10.0786 13.1560 13.1560 13.8770 13.8770 14.7075 14.7075 14.8089 14.8089 15.5275 15.5275 16.0669 16.0669 16.2334 16.2334 16.4114 16.4114 16.5518 16.5518 16.9478 16.9478 17.3659 17.3659 18.2150 18.2150 18.2706 18.2706 18.7604 18.7604 18.9153 18.9153 19.0162 19.0162 20.1958 20.1958 20.7146 20.7146 k = 0.4062 0.2345 0.5103 ( 4859 PWs) bands (ev): -52.8974 -52.8974 -52.8956 -52.8956 -25.5063 -25.5063 -25.5009 -25.5009 -22.3785 -22.3785 -22.3713 -22.3713 -22.2917 -22.2917 -22.2848 -22.2848 -3.2952 -3.2952 -3.2906 -3.2906 -2.2935 -2.2935 -2.2546 -2.2546 -2.2506 -2.2506 10.0934 10.0934 13.1802 13.1802 13.8622 13.8622 14.6709 14.6709 14.8454 14.8454 15.5164 15.5164 16.0846 16.0846 16.2383 16.2383 16.4091 16.4091 16.5629 16.5629 16.9565 16.9565 17.3646 17.3646 18.2088 18.2088 18.2540 18.2540 18.7551 18.7551 18.9351 18.9351 19.0227 19.0227 20.1121 20.1121 20.6067 20.6067 k = 0.4023 0.2323 0.5231 ( 4859 PWs) bands (ev): -52.8975 -52.8975 -52.8955 -52.8955 -25.5067 -25.5067 -25.5006 -25.5006 -22.3800 -22.3800 -22.3720 -22.3720 -22.2910 -22.2910 -22.2832 -22.2832 -3.2952 -3.2952 -3.2908 -3.2908 -2.2936 -2.2936 -2.2547 -2.2547 -2.2506 -2.2506 10.1075 10.1075 13.1990 13.1990 13.8527 13.8527 14.6359 14.6359 14.8830 14.8830 15.5054 15.5054 16.1004 16.1004 16.2443 16.2443 16.3994 16.3994 16.5818 16.5818 16.9639 16.9639 17.3638 17.3638 18.2044 18.2044 18.2375 18.2375 18.7466 18.7466 18.9539 18.9539 19.0284 19.0284 20.0385 20.0385 20.5033 20.5033 k = 0.3984 0.2300 0.5358 ( 4857 PWs) bands (ev): -52.8977 -52.8977 -52.8953 -52.8953 -25.5071 -25.5071 -25.5003 -25.5003 -22.3815 -22.3815 -22.3725 -22.3725 -22.2904 -22.2904 -22.2817 -22.2817 -3.2952 -3.2952 -3.2910 -3.2910 -2.2937 -2.2937 -2.2547 -2.2547 -2.2506 -2.2506 10.1207 10.1207 13.2112 13.2112 13.8495 13.8495 14.6034 14.6034 14.9212 14.9212 15.4945 15.4945 16.1141 16.1141 16.2506 16.2506 16.3853 16.3853 16.6056 16.6056 16.9698 16.9698 17.3642 17.3642 18.2015 18.2015 18.2213 18.2213 18.7351 18.7351 18.9713 18.9713 19.0331 19.0331 19.9751 19.9751 20.4049 20.4049 k = 0.3945 0.2278 0.5486 ( 4863 PWs) bands (ev): -52.8978 -52.8978 -52.8952 -52.8952 -25.5075 -25.5075 -25.5000 -25.5000 -22.3829 -22.3829 -22.3730 -22.3730 -22.2900 -22.2900 -22.2802 -22.2802 -3.2952 -3.2952 -3.2911 -3.2911 -2.2938 -2.2938 -2.2548 -2.2548 -2.2505 -2.2505 10.1329 10.1329 13.2159 13.2159 13.8536 13.8536 14.5740 14.5740 14.9594 14.9594 15.4836 15.4836 16.1259 16.1259 16.2563 16.2563 16.3692 16.3692 16.6321 16.6321 16.9741 16.9741 17.3666 17.3666 18.1980 18.1980 18.2075 18.2075 18.7209 18.7209 18.9869 18.9869 19.0368 19.0368 19.9221 19.9221 20.3120 20.3120 k = 0.3906 0.2255 0.5613 ( 4869 PWs) bands (ev): -52.8979 -52.8979 -52.8951 -52.8951 -25.5080 -25.5080 -25.4996 -25.4996 -22.3844 -22.3844 -22.3733 -22.3733 -22.2896 -22.2896 -22.2788 -22.2788 -3.2952 -3.2952 -3.2912 -3.2912 -2.2939 -2.2939 -2.2549 -2.2549 -2.2505 -2.2505 10.1438 10.1438 13.2126 13.2126 13.8651 13.8651 14.5481 14.5481 14.9975 14.9975 15.4727 15.4727 16.1361 16.1361 16.2603 16.2603 16.3525 16.3525 16.6602 16.6602 16.9768 16.9768 17.3720 17.3720 18.1855 18.1855 18.2043 18.2043 18.7043 18.7043 19.0002 19.0002 19.0394 19.0394 19.8790 19.8790 20.2255 20.2255 k = 0.3867 0.2233 0.5741 ( 4871 PWs) bands (ev): -52.8981 -52.8981 -52.8949 -52.8949 -25.5085 -25.5085 -25.4992 -25.4992 -22.3857 -22.3857 -22.3735 -22.3735 -22.2894 -22.2894 -22.2774 -22.2774 -3.2952 -3.2952 -3.2913 -3.2913 -2.2939 -2.2939 -2.2550 -2.2550 -2.2505 -2.2505 10.1533 10.1533 13.2014 13.2014 13.8838 13.8838 14.5259 14.5259 15.0350 15.0350 15.4619 15.4619 16.1446 16.1446 16.2614 16.2614 16.3365 16.3365 16.6889 16.6889 16.9777 16.9777 17.3812 17.3812 18.1695 18.1695 18.2061 18.2061 18.6858 18.6858 19.0109 19.0109 19.0413 19.0413 19.8454 19.8454 20.1459 20.1459 k = 0.3828 0.2210 0.5869 ( 4874 PWs) bands (ev): -52.8982 -52.8982 -52.8948 -52.8948 -25.5090 -25.5090 -25.4988 -25.4988 -22.3870 -22.3870 -22.3736 -22.3736 -22.2893 -22.2893 -22.2761 -22.2761 -3.2952 -3.2952 -3.2914 -3.2914 -2.2940 -2.2940 -2.2550 -2.2550 -2.2505 -2.2505 10.1611 10.1611 13.1830 13.1830 13.9089 13.9089 14.5080 14.5080 15.0716 15.0716 15.4511 15.4511 16.1510 16.1510 16.2591 16.2591 16.3225 16.3225 16.7178 16.7178 16.9766 16.9766 17.3951 17.3951 18.1533 18.1533 18.2097 18.2097 18.6661 18.6661 19.0184 19.0184 19.0426 19.0426 19.8202 19.8202 20.0741 20.0741 k = 0.3789 0.2188 0.5996 ( 4876 PWs) bands (ev): -52.8984 -52.8984 -52.8946 -52.8946 -25.5095 -25.5095 -25.4983 -25.4983 -22.3883 -22.3883 -22.3736 -22.3736 -22.2893 -22.2893 -22.2748 -22.2748 -3.2952 -3.2952 -3.2915 -3.2915 -2.2940 -2.2940 -2.2551 -2.2551 -2.2504 -2.2504 10.1672 10.1672 13.1584 13.1584 13.9395 13.9395 14.4946 14.4946 15.1066 15.1066 15.4405 15.4405 16.1541 16.1541 16.2536 16.2536 16.3113 16.3113 16.7465 16.7465 16.9736 16.9736 17.4142 17.4142 18.1372 18.1372 18.2148 18.2148 18.6458 18.6458 19.0229 19.0229 19.0434 19.0434 19.8026 19.8026 20.0108 20.0108 k = 0.3750 0.2165 0.6124 ( 4882 PWs) bands (ev): -52.8986 -52.8986 -52.8944 -52.8944 -25.5101 -25.5101 -25.4978 -25.4978 -22.3895 -22.3895 -22.3735 -22.3735 -22.2894 -22.2894 -22.2735 -22.2735 -3.2952 -3.2952 -3.2916 -3.2916 -2.2941 -2.2941 -2.2552 -2.2552 -2.2504 -2.2504 10.1712 10.1712 13.1286 13.1286 13.9745 13.9745 14.4858 14.4858 15.1394 15.1394 15.4303 15.4303 16.1520 16.1520 16.2461 16.2461 16.3039 16.3039 16.7748 16.7748 16.9687 16.9687 17.4387 17.4387 18.1211 18.1211 18.2211 18.2211 18.6256 18.6256 19.0242 19.0242 19.0436 19.0436 19.7914 19.7914 19.9568 19.9568 k = 0.6250-0.0722 0.4082 ( 4882 PWs) bands (ev): -52.8986 -52.8986 -52.8944 -52.8944 -25.5101 -25.5101 -25.4978 -25.4978 -22.3895 -22.3895 -22.3735 -22.3735 -22.2894 -22.2894 -22.2735 -22.2735 -3.2952 -3.2952 -3.2916 -3.2916 -2.2941 -2.2941 -2.2552 -2.2552 -2.2504 -2.2504 10.1712 10.1712 13.1286 13.1286 13.9745 13.9745 14.4858 14.4858 15.1394 15.1394 15.4303 15.4303 16.1520 16.1520 16.2461 16.2461 16.3039 16.3039 16.7748 16.7748 16.9687 16.9687 17.4387 17.4387 18.1211 18.1211 18.2211 18.2211 18.6256 18.6256 19.0242 19.0242 19.0436 19.0436 19.7914 19.7914 19.9568 19.9568 k = 0.6181-0.0842 0.4082 ( 4872 PWs) bands (ev): -52.8989 -52.8989 -52.8941 -52.8941 -25.5110 -25.5110 -25.4969 -25.4969 -22.3915 -22.3915 -22.3732 -22.3732 -22.2898 -22.2898 -22.2713 -22.2713 -3.2952 -3.2952 -3.2916 -3.2916 -2.2942 -2.2942 -2.2553 -2.2553 -2.2503 -2.2503 10.1757 10.1757 13.0729 13.0729 14.0395 14.0395 14.4754 14.4754 15.1950 15.1950 15.4134 15.4134 16.1413 16.1413 16.2290 16.2290 16.2968 16.2968 16.8242 16.8242 16.9608 16.9608 17.4871 17.4871 18.0923 18.0923 18.2338 18.2338 18.5920 18.5920 19.0233 19.0233 19.0437 19.0437 19.7777 19.7777 19.8708 19.8708 k = 0.6111-0.0962 0.4082 ( 4878 PWs) bands (ev): -52.8992 -52.8992 -52.8938 -52.8938 -25.5120 -25.5120 -25.4960 -25.4960 -22.3935 -22.3935 -22.3728 -22.3728 -22.2901 -22.2901 -22.2693 -22.2693 -3.2953 -3.2953 -3.2917 -3.2917 -2.2943 -2.2943 -2.2554 -2.2554 -2.2502 -2.2502 10.1786 10.1786 13.0199 13.0199 14.1031 14.1031 14.4670 14.4670 15.2489 15.2489 15.3988 15.3988 16.1286 16.1286 16.2083 16.2083 16.2905 16.2905 16.8729 16.8729 16.9585 16.9585 17.5355 17.5355 18.0626 18.0626 18.2473 18.2473 18.5620 18.5620 19.0220 19.0220 19.0430 19.0430 19.7640 19.7640 19.7894 19.7894 k = 0.6042-0.1083 0.4082 ( 4894 PWs) bands (ev): -52.8994 -52.8994 -52.8936 -52.8936 -25.5129 -25.5129 -25.4953 -25.4953 -22.3953 -22.3953 -22.3726 -22.3726 -22.2904 -22.2904 -22.2674 -22.2674 -3.2953 -3.2953 -3.2917 -3.2917 -2.2943 -2.2943 -2.2555 -2.2555 -2.2501 -2.2501 10.1804 10.1804 12.9695 12.9695 14.1647 14.1647 14.4606 14.4606 15.2981 15.2981 15.3896 15.3896 16.1146 16.1146 16.1870 16.1870 16.2806 16.2806 16.9208 16.9208 16.9634 16.9634 17.5835 17.5835 18.0322 18.0322 18.2613 18.2613 18.5353 18.5353 19.0205 19.0205 19.0416 19.0416 19.7036 19.7036 19.7596 19.7596 k = 0.5972-0.1203 0.4082 ( 4894 PWs) bands (ev): -52.8997 -52.8997 -52.8933 -52.8933 -25.5137 -25.5137 -25.4946 -25.4946 -22.3971 -22.3971 -22.3723 -22.3723 -22.2907 -22.2907 -22.2656 -22.2656 -3.2953 -3.2953 -3.2917 -3.2917 -2.2944 -2.2944 -2.2556 -2.2556 -2.2500 -2.2500 10.1810 10.1810 12.9219 12.9219 14.2237 14.2237 14.4564 14.4564 15.3296 15.3296 15.3981 15.3981 16.0998 16.0998 16.1665 16.1665 16.2654 16.2654 16.9674 16.9674 16.9766 16.9766 17.6303 17.6303 18.0011 18.0011 18.2754 18.2754 18.5115 18.5115 19.0188 19.0188 19.0395 19.0395 19.6262 19.6262 19.7516 19.7516 k = 0.5903-0.1323 0.4082 ( 4882 PWs) bands (ev): -52.8999 -52.8999 -52.8931 -52.8931 -25.5144 -25.5144 -25.4938 -25.4938 -22.3987 -22.3987 -22.3720 -22.3720 -22.2909 -22.2909 -22.2638 -22.2638 -3.2954 -3.2954 -3.2917 -3.2917 -2.2945 -2.2945 -2.2557 -2.2557 -2.2499 -2.2499 10.1808 10.1808 12.8773 12.8773 14.2795 14.2795 14.4547 14.4547 15.3323 15.3323 15.4352 15.4352 16.0845 16.0845 16.1471 16.1471 16.2446 16.2446 16.9970 16.9970 17.0139 17.0139 17.6757 17.6757 17.9695 17.9695 18.2892 18.2892 18.4905 18.4905 19.0170 19.0170 19.0366 19.0366 19.5517 19.5517 19.7456 19.7456 k = 0.5833-0.1443 0.4082 ( 4870 PWs) bands (ev): -52.9002 -52.9002 -52.8928 -52.8928 -25.5151 -25.5151 -25.4931 -25.4931 -22.4001 -22.4001 -22.3718 -22.3718 -22.2911 -22.2911 -22.2622 -22.2622 -3.2955 -3.2955 -3.2917 -3.2917 -2.2945 -2.2945 -2.2558 -2.2558 -2.2498 -2.2498 10.1799 10.1799 12.8356 12.8356 14.3304 14.3304 14.4566 14.4566 15.3243 15.3243 15.4826 15.4826 16.0690 16.0690 16.1291 16.1291 16.2187 16.2187 17.0253 17.0253 17.0584 17.0584 17.7191 17.7191 17.9376 17.9376 18.3025 18.3025 18.4719 18.4719 19.0150 19.0150 19.0332 19.0332 19.4807 19.4807 19.7411 19.7411 k = 0.5764-0.1564 0.4082 ( 4874 PWs) bands (ev): -52.9004 -52.9004 -52.8926 -52.8926 -25.5158 -25.5158 -25.4925 -25.4925 -22.4016 -22.4016 -22.3715 -22.3715 -22.2914 -22.2914 -22.2607 -22.2607 -3.2955 -3.2955 -3.2917 -3.2917 -2.2946 -2.2946 -2.2559 -2.2559 -2.2497 -2.2497 10.1784 10.1784 12.7970 12.7970 14.3731 14.3731 14.4653 14.4653 15.3144 15.3144 15.5309 15.5309 16.0536 16.0536 16.1125 16.1125 16.1891 16.1891 17.0596 17.0596 17.1016 17.1016 17.7600 17.7600 17.9058 17.9058 18.3150 18.3150 18.4554 18.4554 19.0129 19.0129 19.0293 19.0293 19.4139 19.4139 19.7377 19.7377 k = 0.5694-0.1684 0.4082 ( 4870 PWs) bands (ev): -52.9006 -52.9006 -52.8924 -52.8924 -25.5164 -25.5164 -25.4919 -25.4919 -22.4028 -22.4028 -22.3713 -22.3713 -22.2916 -22.2916 -22.2593 -22.2593 -3.2956 -3.2956 -3.2917 -3.2917 -2.2947 -2.2947 -2.2560 -2.2560 -2.2496 -2.2496 10.1766 10.1766 12.7616 12.7616 14.4016 14.4016 14.4861 14.4861 15.3045 15.3045 15.5776 15.5776 16.0384 16.0384 16.0974 16.0974 16.1573 16.1573 17.0984 17.0984 17.1433 17.1433 17.7975 17.7975 17.8749 17.8749 18.3263 18.3263 18.4410 18.4410 19.0105 19.0105 19.0252 19.0252 19.3516 19.3516 19.7353 19.7353 k = 0.5625-0.1804 0.4082 ( 4878 PWs) bands (ev): -52.9007 -52.9007 -52.8923 -52.8923 -25.5170 -25.5170 -25.4914 -25.4914 -22.4040 -22.4040 -22.3711 -22.3711 -22.2918 -22.2918 -22.2581 -22.2581 -3.2956 -3.2956 -3.2917 -3.2917 -2.2947 -2.2947 -2.2561 -2.2561 -2.2496 -2.2496 10.1745 10.1745 12.7294 12.7294 14.4158 14.4158 14.5189 14.5189 15.2952 15.2952 15.6215 15.6215 16.0235 16.0235 16.0836 16.0836 16.1252 16.1252 17.1401 17.1401 17.1833 17.1833 17.8236 17.8236 17.8528 17.8528 18.3362 18.3362 18.4285 18.4285 19.0073 19.0073 19.0212 19.0212 19.2944 19.2944 19.7335 19.7335 k = 0.5556-0.1925 0.4082 ( 4870 PWs) bands (ev): -52.9009 -52.9009 -52.8921 -52.8921 -25.5175 -25.5175 -25.4909 -25.4909 -22.4051 -22.4051 -22.3710 -22.3710 -22.2919 -22.2919 -22.2569 -22.2569 -3.2957 -3.2957 -3.2917 -3.2917 -2.2948 -2.2948 -2.2561 -2.2561 -2.2495 -2.2495 10.1723 10.1723 12.7004 12.7004 14.4227 14.4227 14.5562 14.5562 15.2867 15.2867 15.6617 15.6617 16.0090 16.0090 16.0707 16.0707 16.0949 16.0949 17.1830 17.1830 17.2214 17.2214 17.8054 17.8054 17.8726 17.8726 18.3445 18.3445 18.4178 18.4178 19.0028 19.0028 19.0177 19.0177 19.2430 19.2430 19.7323 19.7323 k = 0.5486-0.2045 0.4082 ( 4872 PWs) bands (ev): -52.9010 -52.9010 -52.8920 -52.8920 -25.5180 -25.5180 -25.4905 -25.4905 -22.4060 -22.4060 -22.3708 -22.3708 -22.2921 -22.2921 -22.2559 -22.2559 -3.2957 -3.2957 -3.2917 -3.2917 -2.2948 -2.2948 -2.2562 -2.2562 -2.2494 -2.2494 10.1700 10.1700 12.6747 12.6747 14.4268 14.4268 14.5932 14.5932 15.2791 15.2791 15.6971 15.6971 15.9948 15.9948 16.0568 16.0568 16.0701 16.0701 17.2256 17.2256 17.2574 17.2574 17.7765 17.7765 17.9006 17.9006 18.3509 18.3509 18.4090 18.4090 18.9965 18.9965 19.0149 19.0149 19.1981 19.1981 19.7315 19.7315 k = 0.5417-0.2165 0.4082 ( 4868 PWs) bands (ev): -52.9011 -52.9011 -52.8918 -52.8918 -25.5183 -25.5183 -25.4902 -25.4902 -22.4068 -22.4068 -22.3707 -22.3707 -22.2922 -22.2922 -22.2551 -22.2551 -3.2958 -3.2958 -3.2916 -3.2916 -2.2948 -2.2948 -2.2563 -2.2563 -2.2493 -2.2493 10.1679 10.1679 12.6524 12.6524 14.4298 14.4298 14.6276 14.6276 15.2724 15.2724 15.7265 15.7265 15.9814 15.9814 16.0384 16.0384 16.0557 16.0557 17.2660 17.2660 17.2912 17.2912 17.7479 17.7479 17.9262 17.9262 18.3552 18.3552 18.4022 18.4022 18.9882 18.9882 19.0129 19.0129 19.1605 19.1605 19.7310 19.7310 k = 0.5347-0.2285 0.4082 ( 4856 PWs) bands (ev): -52.9013 -52.9013 -52.8917 -52.8917 -25.5187 -25.5187 -25.4898 -25.4898 -22.4075 -22.4075 -22.3705 -22.3705 -22.2923 -22.2923 -22.2543 -22.2543 -3.2958 -3.2958 -3.2916 -3.2916 -2.2949 -2.2949 -2.2563 -2.2563 -2.2493 -2.2493 10.1660 10.1660 12.6334 12.6334 14.4321 14.4321 14.6585 14.6585 15.2666 15.2666 15.7487 15.7487 15.9701 15.9701 16.0210 16.0210 16.0467 16.0467 17.3028 17.3028 17.3226 17.3226 17.7210 17.7210 17.9484 17.9484 18.3572 18.3572 18.3976 18.3976 18.9779 18.9779 19.0114 19.0114 19.1307 19.1307 19.7307 19.7307 k = 0.5278-0.2406 0.4082 ( 4850 PWs) bands (ev): -52.9013 -52.9013 -52.8917 -52.8917 -25.5189 -25.5189 -25.4895 -25.4895 -22.4081 -22.4081 -22.3704 -22.3704 -22.2924 -22.2924 -22.2536 -22.2536 -3.2959 -3.2959 -3.2916 -3.2916 -2.2949 -2.2949 -2.2564 -2.2564 -2.2492 -2.2492 10.1643 10.1643 12.6179 12.6179 14.4340 14.4340 14.6849 14.6849 15.2619 15.2619 15.7631 15.7631 15.9623 15.9623 16.0076 16.0076 16.0400 16.0400 17.3344 17.3344 17.3512 17.3512 17.6964 17.6964 17.9668 17.9668 18.3573 18.3573 18.3951 18.3951 18.9664 18.9664 19.0102 19.0102 19.1085 19.1085 19.7305 19.7305 k = 0.5208-0.2526 0.4082 ( 4854 PWs) bands (ev): -52.9014 -52.9014 -52.8916 -52.8916 -25.5191 -25.5191 -25.4894 -25.4894 -22.4085 -22.4085 -22.3704 -22.3704 -22.2924 -22.2924 -22.2532 -22.2532 -3.2959 -3.2959 -3.2916 -3.2916 -2.2949 -2.2949 -2.2564 -2.2564 -2.2492 -2.2492 10.1629 10.1629 12.6058 12.6058 14.4355 14.4355 14.7063 14.7063 15.2582 15.2582 15.7702 15.7702 15.9590 15.9590 15.9977 15.9977 16.0348 16.0348 17.3599 17.3599 17.3759 17.3759 17.6752 17.6752 17.9814 17.9814 18.3561 18.3561 18.3939 18.3939 18.9550 18.9550 19.0094 19.0094 19.0933 19.0933 19.7305 19.7305 k = 0.5139-0.2646 0.4082 ( 4854 PWs) bands (ev): -52.9014 -52.9014 -52.8915 -52.8915 -25.5193 -25.5193 -25.4892 -25.4892 -22.4088 -22.4088 -22.3703 -22.3703 -22.2925 -22.2925 -22.2528 -22.2528 -3.2959 -3.2959 -3.2916 -3.2916 -2.2949 -2.2949 -2.2564 -2.2564 -2.2492 -2.2492 10.1619 10.1619 12.5971 12.5971 14.4366 14.4366 14.7221 14.7221 15.2555 15.2555 15.7724 15.7724 15.9591 15.9591 15.9908 15.9908 16.0312 16.0312 17.3790 17.3790 17.3951 17.3951 17.6584 17.6584 17.9918 17.9918 18.3546 18.3546 18.3936 18.3936 18.9453 18.9453 19.0088 19.0088 19.0836 19.0836 19.7304 19.7304 k = 0.5069-0.2766 0.4082 ( 4870 PWs) bands (ev): -52.9015 -52.9015 -52.8915 -52.8915 -25.5195 -25.5195 -25.4891 -25.4891 -22.4091 -22.4091 -22.3703 -22.3703 -22.2926 -22.2926 -22.2526 -22.2526 -3.2959 -3.2959 -3.2916 -3.2916 -2.2950 -2.2950 -2.2564 -2.2564 -2.2492 -2.2492 10.1612 10.1612 12.5919 12.5919 14.4372 14.4372 14.7318 14.7318 15.2539 15.2539 15.7723 15.7723 15.9605 15.9605 15.9865 15.9865 16.0290 16.0290 17.3910 17.3910 17.4072 17.4072 17.6475 17.6475 17.9982 17.9982 18.3534 18.3534 18.3936 18.3936 18.9389 18.9389 19.0085 19.0085 19.0783 19.0783 19.7304 19.7304 k = 0.5000-0.2887 0.4082 ( 4880 PWs) bands (ev): -52.9015 -52.9015 -52.8915 -52.8915 -25.5195 -25.5195 -25.4891 -25.4891 -22.4092 -22.4092 -22.3703 -22.3703 -22.2926 -22.2926 -22.2526 -22.2526 -3.2959 -3.2959 -3.2916 -3.2916 -2.2950 -2.2950 -2.2565 -2.2565 -2.2491 -2.2491 10.1610 10.1610 12.5902 12.5902 14.4375 14.4375 14.7350 14.7350 15.2533 15.2533 15.7720 15.7720 15.9613 15.9613 15.9850 15.9850 16.0283 16.0283 17.3951 17.3951 17.4114 17.4114 17.6436 17.6436 18.0003 18.0003 18.3530 18.3530 18.3936 18.3936 18.9367 18.9367 19.0083 19.0083 19.0766 19.0766 19.7304 19.7304 Writing output data file FeSnRu2.save init_run : 0.20s CPU 0.35s WALL ( 1 calls) electrons : 183.70s CPU 186.43s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 183.70s CPU 186.42s WALL ( 1 calls) v_of_rho : 0.00s 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 : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.09s WALL ( 339 calls) cegterg : 165.99s CPU 168.03s WALL ( 415 calls) Called by sum_band: Called by *egterg: h_psi : 105.27s CPU 107.09s WALL ( 6419 calls) s_psi : 4.03s CPU 4.17s WALL ( 6419 calls) g_psi : 0.24s CPU 0.28s WALL ( 5665 calls) cdiaghg : 50.89s CPU 51.60s WALL ( 6004 calls) cegterg:over : 7.54s CPU 7.45s WALL ( 5665 calls) cegterg:upda : 6.03s CPU 6.00s WALL ( 5665 calls) cegterg:last : 3.92s CPU 3.84s WALL ( 1093 calls) cdiaghg:chol : 2.95s CPU 2.90s WALL ( 6004 calls) cdiaghg:inve : 2.13s CPU 2.00s WALL ( 6004 calls) cdiaghg:para : 3.00s CPU 3.24s WALL ( 12008 calls) Called by h_psi: h_psi:vloc : 92.56s CPU 94.37s WALL ( 6419 calls) h_psi:vnl : 12.38s CPU 12.42s WALL ( 6419 calls) add_vuspsi : 6.45s CPU 6.76s WALL ( 6419 calls) General routines calbec : 5.91s CPU 5.65s WALL ( 6419 calls) fft : 0.01s CPU 0.00s WALL ( 15 calls) fftw : 87.61s CPU 89.22s WALL ( 840728 calls) davcio : 0.19s CPU 0.29s WALL ( 678 calls) Parallel routines fft_scatter : 29.37s CPU 30.63s WALL ( 840743 calls) PWSCF : 3m24.68s CPU 3m40.54s WALL This run was terminated on: 18:21:13 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=