Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:27:37 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: ./ZrNi2Sn.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 33 26 7 769 548 85 Max 34 27 8 773 559 90 Sum 1213 955 283 27725 19891 3143 bravais-lattice index = 14 lattice parameter (alat) = 8.3862 a.u. unit-cell volume = 417.0473 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.386230 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 Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 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 PseudoPot. # 3 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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 Zr 4.00 91.22400 Zr( 1.00) Sn 14.00 118.71000 Sn( 1.00) Ni 10.00 58.69340 Ni( 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= 337 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0098039 -0.0056603 0.0080049), wk = 0.0029674 k( 3) = ( 0.0196078 -0.0113206 0.0160097), wk = 0.0029674 k( 4) = ( 0.0294118 -0.0169809 0.0240146), wk = 0.0029674 k( 5) = ( 0.0392157 -0.0226412 0.0320195), wk = 0.0029674 k( 6) = ( 0.0490196 -0.0283015 0.0400243), wk = 0.0029674 k( 7) = ( 0.0588235 -0.0339618 0.0480292), wk = 0.0029674 k( 8) = ( 0.0686275 -0.0396221 0.0560341), wk = 0.0029674 k( 9) = ( 0.0784314 -0.0452824 0.0640389), wk = 0.0029674 k( 10) = ( 0.0882353 -0.0509427 0.0720438), wk = 0.0029674 k( 11) = ( 0.0980392 -0.0566030 0.0800487), wk = 0.0029674 k( 12) = ( 0.1078431 -0.0622633 0.0880536), wk = 0.0029674 k( 13) = ( 0.1176471 -0.0679236 0.0960584), wk = 0.0029674 k( 14) = ( 0.1274510 -0.0735839 0.1040633), wk = 0.0029674 k( 15) = ( 0.1372549 -0.0792442 0.1120682), wk = 0.0029674 k( 16) = ( 0.1470588 -0.0849044 0.1200730), wk = 0.0029674 k( 17) = ( 0.1568627 -0.0905648 0.1280779), wk = 0.0029674 k( 18) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0029674 k( 19) = ( 0.1764706 -0.1018853 0.1440876), wk = 0.0029674 k( 20) = ( 0.1862745 -0.1075456 0.1520925), wk = 0.0029674 k( 21) = ( 0.1960784 -0.1132059 0.1600974), wk = 0.0029674 k( 22) = ( 0.2058823 -0.1188662 0.1681022), wk = 0.0029674 k( 23) = ( 0.2156863 -0.1245265 0.1761071), wk = 0.0029674 k( 24) = ( 0.2254902 -0.1301868 0.1841120), wk = 0.0029674 k( 25) = ( 0.2352941 -0.1358471 0.1921168), wk = 0.0029674 k( 26) = ( 0.2450980 -0.1415074 0.2001217), wk = 0.0029674 k( 27) = ( 0.2549020 -0.1471677 0.2081266), wk = 0.0029674 k( 28) = ( 0.2647059 -0.1528280 0.2161314), wk = 0.0029674 k( 29) = ( 0.2745098 -0.1584883 0.2241363), wk = 0.0029674 k( 30) = ( 0.2843137 -0.1641486 0.2321412), wk = 0.0029674 k( 31) = ( 0.2941177 -0.1698089 0.2401461), wk = 0.0029674 k( 32) = ( 0.3039216 -0.1754692 0.2481509), wk = 0.0029674 k( 33) = ( 0.3137255 -0.1811295 0.2561558), wk = 0.0029674 k( 34) = ( 0.3235294 -0.1867898 0.2641607), wk = 0.0029674 k( 35) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0029674 k( 36) = ( 0.3431373 -0.1981104 0.2801704), wk = 0.0029674 k( 37) = ( 0.3529412 -0.2037707 0.2881753), wk = 0.0029674 k( 38) = ( 0.3627451 -0.2094310 0.2961801), wk = 0.0029674 k( 39) = ( 0.3725490 -0.2150913 0.3041850), wk = 0.0029674 k( 40) = ( 0.3823529 -0.2207516 0.3121899), wk = 0.0029674 k( 41) = ( 0.3921569 -0.2264119 0.3201947), wk = 0.0029674 k( 42) = ( 0.4019608 -0.2320722 0.3281996), wk = 0.0029674 k( 43) = ( 0.4117647 -0.2377325 0.3362045), wk = 0.0029674 k( 44) = ( 0.4215686 -0.2433928 0.3442093), wk = 0.0029674 k( 45) = ( 0.4313726 -0.2490531 0.3522142), wk = 0.0029674 k( 46) = ( 0.4411765 -0.2547134 0.3602191), wk = 0.0029674 k( 47) = ( 0.4509804 -0.2603736 0.3682239), wk = 0.0029674 k( 48) = ( 0.4607843 -0.2660339 0.3762288), wk = 0.0029674 k( 49) = ( 0.4705882 -0.2716942 0.3842337), wk = 0.0029674 k( 50) = ( 0.4803922 -0.2773545 0.3922386), wk = 0.0029674 k( 51) = ( 0.4901961 -0.2830148 0.4002434), wk = 0.0029674 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029674 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029674 k( 54) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0029674 k( 55) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0029674 k( 56) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0029674 k( 57) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0029674 k( 58) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0029674 k( 59) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0029674 k( 60) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0029674 k( 61) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0029674 k( 62) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0029674 k( 63) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0029674 k( 64) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0029674 k( 65) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0029674 k( 66) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0029674 k( 67) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0029674 k( 68) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0029674 k( 69) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0029674 k( 70) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0029674 k( 71) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0029674 k( 72) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0029674 k( 73) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0029674 k( 74) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0029674 k( 75) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0029674 k( 76) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0029674 k( 77) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0029674 k( 78) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0029674 k( 79) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029674 k( 80) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029674 k( 81) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0029674 k( 82) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0029674 k( 83) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0029674 k( 84) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0029674 k( 85) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0029674 k( 86) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0029674 k( 87) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0029674 k( 88) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0029674 k( 89) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0029674 k( 90) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0029674 k( 91) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0029674 k( 92) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0029674 k( 93) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0029674 k( 94) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0029674 k( 95) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0029674 k( 96) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0029674 k( 97) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0029674 k( 98) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029674 k( 99) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029674 k( 100) = ( 0.3680556 0.2124970 0.6010322), wk = 0.0029674 k( 101) = ( 0.3611111 0.2084876 0.5896920), wk = 0.0029674 k( 102) = ( 0.3541667 0.2044782 0.5783517), wk = 0.0029674 k( 103) = ( 0.3472222 0.2004688 0.5670115), wk = 0.0029674 k( 104) = ( 0.3402778 0.1964595 0.5556713), wk = 0.0029674 k( 105) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0029674 k( 106) = ( 0.3263889 0.1884407 0.5329908), wk = 0.0029674 k( 107) = ( 0.3194444 0.1844313 0.5216506), wk = 0.0029674 k( 108) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0029674 k( 109) = ( 0.3055556 0.1764126 0.4989701), wk = 0.0029674 k( 110) = ( 0.2986111 0.1724032 0.4876299), wk = 0.0029674 k( 111) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0029674 k( 112) = ( 0.2847222 0.1643845 0.4649494), wk = 0.0029674 k( 113) = ( 0.2777778 0.1603751 0.4536092), wk = 0.0029674 k( 114) = ( 0.2708333 0.1563657 0.4422690), wk = 0.0029674 k( 115) = ( 0.2638889 0.1523563 0.4309288), wk = 0.0029674 k( 116) = ( 0.2569444 0.1483469 0.4195885), wk = 0.0029674 k( 117) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0029674 k( 118) = ( 0.2430556 0.1403282 0.3969081), wk = 0.0029674 k( 119) = ( 0.2361111 0.1363188 0.3855678), wk = 0.0029674 k( 120) = ( 0.2291667 0.1323094 0.3742276), wk = 0.0029674 k( 121) = ( 0.2222222 0.1283001 0.3628874), wk = 0.0029674 k( 122) = ( 0.2152778 0.1242907 0.3515471), wk = 0.0029674 k( 123) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0029674 k( 124) = ( 0.2013889 0.1162719 0.3288667), wk = 0.0029674 k( 125) = ( 0.1944444 0.1122625 0.3175265), wk = 0.0029674 k( 126) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0029674 k( 127) = ( 0.1805556 0.1042438 0.2948460), wk = 0.0029674 k( 128) = ( 0.1736111 0.1002344 0.2835058), wk = 0.0029674 k( 129) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0029674 k( 130) = ( 0.1597222 0.0922157 0.2608253), wk = 0.0029674 k( 131) = ( 0.1527778 0.0882063 0.2494851), wk = 0.0029674 k( 132) = ( 0.1458333 0.0841969 0.2381448), wk = 0.0029674 k( 133) = ( 0.1388889 0.0801875 0.2268046), wk = 0.0029674 k( 134) = ( 0.1319444 0.0761782 0.2154644), wk = 0.0029674 k( 135) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0029674 k( 136) = ( 0.1180556 0.0681594 0.1927839), wk = 0.0029674 k( 137) = ( 0.1111111 0.0641500 0.1814437), wk = 0.0029674 k( 138) = ( 0.1041667 0.0601407 0.1701034), wk = 0.0029674 k( 139) = ( 0.0972222 0.0561313 0.1587632), wk = 0.0029674 k( 140) = ( 0.0902778 0.0521219 0.1474230), wk = 0.0029674 k( 141) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0029674 k( 142) = ( 0.0763889 0.0441031 0.1247425), wk = 0.0029674 k( 143) = ( 0.0694444 0.0400938 0.1134023), wk = 0.0029674 k( 144) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0029674 k( 145) = ( 0.0555556 0.0320750 0.0907218), wk = 0.0029674 k( 146) = ( 0.0486111 0.0280656 0.0793816), wk = 0.0029674 k( 147) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0029674 k( 148) = ( 0.0347222 0.0200469 0.0567011), wk = 0.0029674 k( 149) = ( 0.0277778 0.0160375 0.0453609), wk = 0.0029674 k( 150) = ( 0.0208333 0.0120281 0.0340207), wk = 0.0029674 k( 151) = ( 0.0138889 0.0080188 0.0226805), wk = 0.0029674 k( 152) = ( 0.0069444 0.0040094 0.0113402), wk = 0.0029674 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 155) = ( 0.0113636 0.0065608 0.0046392), wk = 0.0029674 k( 156) = ( 0.0227273 0.0131216 0.0092784), wk = 0.0029674 k( 157) = ( 0.0340909 0.0196824 0.0139176), wk = 0.0029674 k( 158) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0029674 k( 159) = ( 0.0568182 0.0328040 0.0231959), wk = 0.0029674 k( 160) = ( 0.0681818 0.0393648 0.0278351), wk = 0.0029674 k( 161) = ( 0.0795455 0.0459256 0.0324743), wk = 0.0029674 k( 162) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0029674 k( 163) = ( 0.1022727 0.0590472 0.0417527), wk = 0.0029674 k( 164) = ( 0.1136364 0.0656080 0.0463918), wk = 0.0029674 k( 165) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0029674 k( 166) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0029674 k( 167) = ( 0.1477273 0.0852904 0.0603094), wk = 0.0029674 k( 168) = ( 0.1590909 0.0918512 0.0649486), wk = 0.0029674 k( 169) = ( 0.1704546 0.0984120 0.0695878), wk = 0.0029674 k( 170) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0029674 k( 171) = ( 0.1931818 0.1115336 0.0788661), wk = 0.0029674 k( 172) = ( 0.2045454 0.1180944 0.0835053), wk = 0.0029674 k( 173) = ( 0.2159091 0.1246552 0.0881445), wk = 0.0029674 k( 174) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0029674 k( 175) = ( 0.2386364 0.1377768 0.0974229), wk = 0.0029674 k( 176) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0029674 k( 177) = ( 0.2613636 0.1508984 0.1067013), wk = 0.0029674 k( 178) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0029674 k( 179) = ( 0.2840909 0.1640200 0.1159796), wk = 0.0029674 k( 180) = ( 0.2954545 0.1705808 0.1206188), wk = 0.0029674 k( 181) = ( 0.3068182 0.1771416 0.1252580), wk = 0.0029674 k( 182) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0029674 k( 183) = ( 0.3295455 0.1902632 0.1345364), wk = 0.0029674 k( 184) = ( 0.3409091 0.1968240 0.1391756), wk = 0.0029674 k( 185) = ( 0.3522727 0.2033848 0.1438147), wk = 0.0029674 k( 186) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0029674 k( 187) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0029674 k( 188) = ( 0.3863636 0.2230672 0.1577323), wk = 0.0029674 k( 189) = ( 0.3977273 0.2296279 0.1623715), wk = 0.0029674 k( 190) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0029674 k( 191) = ( 0.4204545 0.2427495 0.1716499), wk = 0.0029674 k( 192) = ( 0.4318182 0.2493103 0.1762890), wk = 0.0029674 k( 193) = ( 0.4431818 0.2558711 0.1809282), wk = 0.0029674 k( 194) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0029674 k( 195) = ( 0.4659091 0.2689927 0.1902066), wk = 0.0029674 k( 196) = ( 0.4772727 0.2755535 0.1948458), wk = 0.0029674 k( 197) = ( 0.4886364 0.2821143 0.1994850), wk = 0.0029674 k( 198) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 199) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 200) = ( 0.5040323 0.2770350 0.2107088), wk = 0.0029674 k( 201) = ( 0.5080645 0.2653949 0.2172934), wk = 0.0029674 k( 202) = ( 0.5120968 0.2537548 0.2238781), wk = 0.0029674 k( 203) = ( 0.5161290 0.2421146 0.2304627), wk = 0.0029674 k( 204) = ( 0.5201613 0.2304745 0.2370474), wk = 0.0029674 k( 205) = ( 0.5241936 0.2188344 0.2436320), wk = 0.0029674 k( 206) = ( 0.5282258 0.2071943 0.2502167), wk = 0.0029674 k( 207) = ( 0.5322581 0.1955541 0.2568013), wk = 0.0029674 k( 208) = ( 0.5362903 0.1839140 0.2633860), wk = 0.0029674 k( 209) = ( 0.5403226 0.1722739 0.2699706), wk = 0.0029674 k( 210) = ( 0.5443548 0.1606337 0.2765553), wk = 0.0029674 k( 211) = ( 0.5483871 0.1489936 0.2831399), wk = 0.0029674 k( 212) = ( 0.5524193 0.1373535 0.2897246), wk = 0.0029674 k( 213) = ( 0.5564516 0.1257134 0.2963092), wk = 0.0029674 k( 214) = ( 0.5604839 0.1140732 0.3028939), wk = 0.0029674 k( 215) = ( 0.5645161 0.1024331 0.3094785), wk = 0.0029674 k( 216) = ( 0.5685484 0.0907930 0.3160632), wk = 0.0029674 k( 217) = ( 0.5725807 0.0791529 0.3226478), wk = 0.0029674 k( 218) = ( 0.5766129 0.0675127 0.3292325), wk = 0.0029674 k( 219) = ( 0.5806452 0.0558726 0.3358171), wk = 0.0029674 k( 220) = ( 0.5846774 0.0442325 0.3424018), wk = 0.0029674 k( 221) = ( 0.5887097 0.0325924 0.3489864), wk = 0.0029674 k( 222) = ( 0.5927419 0.0209522 0.3555711), wk = 0.0029674 k( 223) = ( 0.5967742 0.0093121 0.3621557), wk = 0.0029674 k( 224) = ( 0.6008064 -0.0023280 0.3687404), wk = 0.0029674 k( 225) = ( 0.6048387 -0.0139682 0.3753250), wk = 0.0029674 k( 226) = ( 0.6088710 -0.0256083 0.3819097), wk = 0.0029674 k( 227) = ( 0.6129032 -0.0372484 0.3884943), wk = 0.0029674 k( 228) = ( 0.6169355 -0.0488885 0.3950790), wk = 0.0029674 k( 229) = ( 0.6209677 -0.0605287 0.4016636), wk = 0.0029674 k( 230) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029674 k( 231) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029674 k( 232) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0029674 k( 233) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0029674 k( 234) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0029674 k( 235) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0029674 k( 236) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0029674 k( 237) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0029674 k( 238) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0029674 k( 239) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0029674 k( 240) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0029674 k( 241) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0029674 k( 242) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0029674 k( 243) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0029674 k( 244) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0029674 k( 245) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0029674 k( 246) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0029674 k( 247) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0029674 k( 248) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0029674 k( 249) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029674 k( 250) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029674 k( 251) = ( 0.5000000 0.0080187 0.6010322), wk = 0.0029674 k( 252) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0029674 k( 253) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0029674 k( 254) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0029674 k( 255) = ( 0.5000000 0.0400938 0.5556713), wk = 0.0029674 k( 256) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0029674 k( 257) = ( 0.5000000 0.0561313 0.5329908), wk = 0.0029674 k( 258) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0029674 k( 259) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0029674 k( 260) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0029674 k( 261) = ( 0.5000000 0.0882063 0.4876299), wk = 0.0029674 k( 262) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0029674 k( 263) = ( 0.5000000 0.1042438 0.4649494), wk = 0.0029674 k( 264) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0029674 k( 265) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0029674 k( 266) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0029674 k( 267) = ( 0.5000000 0.1363188 0.4195885), wk = 0.0029674 k( 268) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0029674 k( 269) = ( 0.5000000 0.1523563 0.3969081), wk = 0.0029674 k( 270) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0029674 k( 271) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0029674 k( 272) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0029674 k( 273) = ( 0.5000000 0.1844313 0.3515471), wk = 0.0029674 k( 274) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0029674 k( 275) = ( 0.5000000 0.2004688 0.3288667), wk = 0.0029674 k( 276) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0029674 k( 277) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0029674 k( 278) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0029674 k( 279) = ( 0.5000000 0.2325439 0.2835058), wk = 0.0029674 k( 280) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0029674 k( 281) = ( 0.5000000 0.2485814 0.2608253), wk = 0.0029674 k( 282) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0029674 k( 283) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0029674 k( 284) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0029674 k( 285) = ( 0.5000000 0.2806564 0.2154644), wk = 0.0029674 k( 286) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 287) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 288) = ( 0.4959677 0.2863471 0.2172935), wk = 0.0029674 k( 289) = ( 0.4919355 0.2840191 0.2304627), wk = 0.0029674 k( 290) = ( 0.4879032 0.2816911 0.2436320), wk = 0.0029674 k( 291) = ( 0.4838710 0.2793630 0.2568013), wk = 0.0029674 k( 292) = ( 0.4798387 0.2770350 0.2699706), wk = 0.0029674 k( 293) = ( 0.4758064 0.2747070 0.2831399), wk = 0.0029674 k( 294) = ( 0.4717742 0.2723790 0.2963092), wk = 0.0029674 k( 295) = ( 0.4677419 0.2700509 0.3094785), wk = 0.0029674 k( 296) = ( 0.4637097 0.2677229 0.3226478), wk = 0.0029674 k( 297) = ( 0.4596774 0.2653949 0.3358171), wk = 0.0029674 k( 298) = ( 0.4556452 0.2630669 0.3489864), wk = 0.0029674 k( 299) = ( 0.4516129 0.2607388 0.3621557), wk = 0.0029674 k( 300) = ( 0.4475807 0.2584108 0.3753250), wk = 0.0029674 k( 301) = ( 0.4435484 0.2560828 0.3884943), wk = 0.0029674 k( 302) = ( 0.4395161 0.2537548 0.4016636), wk = 0.0029674 k( 303) = ( 0.4354839 0.2514267 0.4148329), wk = 0.0029674 k( 304) = ( 0.4314516 0.2490987 0.4280022), wk = 0.0029674 k( 305) = ( 0.4274193 0.2467707 0.4411715), wk = 0.0029674 k( 306) = ( 0.4233871 0.2444427 0.4543408), wk = 0.0029674 k( 307) = ( 0.4193548 0.2421146 0.4675101), wk = 0.0029674 k( 308) = ( 0.4153226 0.2397866 0.4806794), wk = 0.0029674 k( 309) = ( 0.4112903 0.2374586 0.4938487), wk = 0.0029674 k( 310) = ( 0.4072581 0.2351306 0.5070180), wk = 0.0029674 k( 311) = ( 0.4032258 0.2328025 0.5201873), wk = 0.0029674 k( 312) = ( 0.3991936 0.2304745 0.5333566), wk = 0.0029674 k( 313) = ( 0.3951613 0.2281465 0.5465259), wk = 0.0029674 k( 314) = ( 0.3911290 0.2258185 0.5596952), wk = 0.0029674 k( 315) = ( 0.3870968 0.2234904 0.5728645), wk = 0.0029674 k( 316) = ( 0.3830645 0.2211624 0.5860338), wk = 0.0029674 k( 317) = ( 0.3790323 0.2188344 0.5992031), wk = 0.0029674 k( 318) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029674 k( 319) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029674 k( 320) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0029674 k( 321) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0029674 k( 322) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0029674 k( 323) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0029674 k( 324) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0029674 k( 325) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0029674 k( 326) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0029674 k( 327) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0029674 k( 328) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0029674 k( 329) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0029674 k( 330) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0029674 k( 331) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0029674 k( 332) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0029674 k( 333) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0029674 k( 334) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0029674 k( 335) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0029674 k( 336) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0029674 k( 337) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029674 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0098039 -0.0000000 0.0098039), wk = 0.0029674 k( 3) = ( 0.0196078 -0.0000000 0.0196078), wk = 0.0029674 k( 4) = ( 0.0294118 0.0000000 0.0294118), wk = 0.0029674 k( 5) = ( 0.0392157 0.0000000 0.0392157), wk = 0.0029674 k( 6) = ( 0.0490196 0.0000000 0.0490196), wk = 0.0029674 k( 7) = ( 0.0588235 -0.0000000 0.0588235), wk = 0.0029674 k( 8) = ( 0.0686275 0.0000000 0.0686275), wk = 0.0029674 k( 9) = ( 0.0784314 0.0000000 0.0784314), wk = 0.0029674 k( 10) = ( 0.0882353 -0.0000000 0.0882353), wk = 0.0029674 k( 11) = ( 0.0980392 0.0000000 0.0980392), wk = 0.0029674 k( 12) = ( 0.1078431 -0.0000000 0.1078431), wk = 0.0029674 k( 13) = ( 0.1176471 -0.0000000 0.1176471), wk = 0.0029674 k( 14) = ( 0.1274510 -0.0000000 0.1274510), wk = 0.0029674 k( 15) = ( 0.1372549 0.0000000 0.1372549), wk = 0.0029674 k( 16) = ( 0.1470588 0.0000000 0.1470588), wk = 0.0029674 k( 17) = ( 0.1568627 0.0000000 0.1568627), wk = 0.0029674 k( 18) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0029674 k( 19) = ( 0.1764706 -0.0000000 0.1764706), wk = 0.0029674 k( 20) = ( 0.1862745 0.0000000 0.1862745), wk = 0.0029674 k( 21) = ( 0.1960784 0.0000000 0.1960784), wk = 0.0029674 k( 22) = ( 0.2058823 0.0000000 0.2058823), wk = 0.0029674 k( 23) = ( 0.2156863 -0.0000000 0.2156863), wk = 0.0029674 k( 24) = ( 0.2254902 0.0000000 0.2254902), wk = 0.0029674 k( 25) = ( 0.2352941 -0.0000000 0.2352941), wk = 0.0029674 k( 26) = ( 0.2450980 -0.0000000 0.2450980), wk = 0.0029674 k( 27) = ( 0.2549020 -0.0000000 0.2549020), wk = 0.0029674 k( 28) = ( 0.2647059 0.0000000 0.2647059), wk = 0.0029674 k( 29) = ( 0.2745098 0.0000000 0.2745098), wk = 0.0029674 k( 30) = ( 0.2843137 0.0000000 0.2843137), wk = 0.0029674 k( 31) = ( 0.2941177 -0.0000000 0.2941177), wk = 0.0029674 k( 32) = ( 0.3039216 0.0000000 0.3039216), wk = 0.0029674 k( 33) = ( 0.3137255 0.0000000 0.3137255), wk = 0.0029674 k( 34) = ( 0.3235294 -0.0000000 0.3235294), wk = 0.0029674 k( 35) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0029674 k( 36) = ( 0.3431373 -0.0000000 0.3431373), wk = 0.0029674 k( 37) = ( 0.3529412 -0.0000000 0.3529412), wk = 0.0029674 k( 38) = ( 0.3627451 0.0000000 0.3627451), wk = 0.0029674 k( 39) = ( 0.3725490 0.0000000 0.3725490), wk = 0.0029674 k( 40) = ( 0.3823529 -0.0000000 0.3823529), wk = 0.0029674 k( 41) = ( 0.3921569 0.0000000 0.3921569), wk = 0.0029674 k( 42) = ( 0.4019608 -0.0000000 0.4019608), wk = 0.0029674 k( 43) = ( 0.4117647 -0.0000000 0.4117647), wk = 0.0029674 k( 44) = ( 0.4215686 -0.0000000 0.4215686), wk = 0.0029674 k( 45) = ( 0.4313726 0.0000000 0.4313726), wk = 0.0029674 k( 46) = ( 0.4411765 -0.0000000 0.4411765), wk = 0.0029674 k( 47) = ( 0.4509804 0.0000000 0.4509804), wk = 0.0029674 k( 48) = ( 0.4607843 -0.0000000 0.4607843), wk = 0.0029674 k( 49) = ( 0.4705882 -0.0000000 0.4705882), wk = 0.0029674 k( 50) = ( 0.4803922 -0.0000000 0.4803922), wk = 0.0029674 k( 51) = ( 0.4901961 -0.0000000 0.4901961), wk = 0.0029674 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 54) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0029674 k( 55) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0029674 k( 56) = ( 0.5000000 0.0288461 0.5288462), wk = 0.0029674 k( 57) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0029674 k( 58) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0029674 k( 59) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0029674 k( 60) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0029674 k( 61) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0029674 k( 62) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0029674 k( 63) = ( 0.5000000 0.0961538 0.5961538), wk = 0.0029674 k( 64) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0029674 k( 65) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0029674 k( 66) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0029674 k( 67) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0029674 k( 68) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0029674 k( 69) = ( 0.5000000 0.1538461 0.6538462), wk = 0.0029674 k( 70) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0029674 k( 71) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0029674 k( 72) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0029674 k( 73) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0029674 k( 74) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0029674 k( 75) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0029674 k( 76) = ( 0.5000000 0.2211538 0.7211538), wk = 0.0029674 k( 77) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0029674 k( 78) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0029674 k( 79) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 81) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0029674 k( 82) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0029674 k( 83) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0029674 k( 84) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0029674 k( 85) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0029674 k( 86) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0029674 k( 87) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0029674 k( 88) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0029674 k( 89) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0029674 k( 90) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0029674 k( 91) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0029674 k( 92) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0029674 k( 93) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0029674 k( 94) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0029674 k( 95) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0029674 k( 96) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0029674 k( 97) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0029674 k( 98) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029674 k( 99) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029674 k( 100) = ( 0.3680556 0.3680556 0.7361111), wk = 0.0029674 k( 101) = ( 0.3611111 0.3611111 0.7222222), wk = 0.0029674 k( 102) = ( 0.3541667 0.3541667 0.7083333), wk = 0.0029674 k( 103) = ( 0.3472222 0.3472222 0.6944444), wk = 0.0029674 k( 104) = ( 0.3402778 0.3402778 0.6805556), wk = 0.0029674 k( 105) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0029674 k( 106) = ( 0.3263889 0.3263889 0.6527778), wk = 0.0029674 k( 107) = ( 0.3194444 0.3194444 0.6388889), wk = 0.0029674 k( 108) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0029674 k( 109) = ( 0.3055556 0.3055556 0.6111111), wk = 0.0029674 k( 110) = ( 0.2986111 0.2986111 0.5972222), wk = 0.0029674 k( 111) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0029674 k( 112) = ( 0.2847222 0.2847222 0.5694444), wk = 0.0029674 k( 113) = ( 0.2777778 0.2777778 0.5555556), wk = 0.0029674 k( 114) = ( 0.2708333 0.2708333 0.5416667), wk = 0.0029674 k( 115) = ( 0.2638889 0.2638889 0.5277778), wk = 0.0029674 k( 116) = ( 0.2569444 0.2569444 0.5138889), wk = 0.0029674 k( 117) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0029674 k( 118) = ( 0.2430556 0.2430556 0.4861111), wk = 0.0029674 k( 119) = ( 0.2361111 0.2361111 0.4722222), wk = 0.0029674 k( 120) = ( 0.2291667 0.2291667 0.4583333), wk = 0.0029674 k( 121) = ( 0.2222222 0.2222222 0.4444444), wk = 0.0029674 k( 122) = ( 0.2152778 0.2152778 0.4305556), wk = 0.0029674 k( 123) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0029674 k( 124) = ( 0.2013889 0.2013889 0.4027778), wk = 0.0029674 k( 125) = ( 0.1944444 0.1944444 0.3888889), wk = 0.0029674 k( 126) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0029674 k( 127) = ( 0.1805556 0.1805556 0.3611111), wk = 0.0029674 k( 128) = ( 0.1736111 0.1736111 0.3472222), wk = 0.0029674 k( 129) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029674 k( 130) = ( 0.1597222 0.1597222 0.3194444), wk = 0.0029674 k( 131) = ( 0.1527778 0.1527778 0.3055556), wk = 0.0029674 k( 132) = ( 0.1458333 0.1458333 0.2916667), wk = 0.0029674 k( 133) = ( 0.1388889 0.1388889 0.2777778), wk = 0.0029674 k( 134) = ( 0.1319444 0.1319444 0.2638889), wk = 0.0029674 k( 135) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0029674 k( 136) = ( 0.1180556 0.1180556 0.2361111), wk = 0.0029674 k( 137) = ( 0.1111111 0.1111111 0.2222222), wk = 0.0029674 k( 138) = ( 0.1041667 0.1041667 0.2083333), wk = 0.0029674 k( 139) = ( 0.0972222 0.0972222 0.1944444), wk = 0.0029674 k( 140) = ( 0.0902778 0.0902778 0.1805556), wk = 0.0029674 k( 141) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0029674 k( 142) = ( 0.0763889 0.0763889 0.1527778), wk = 0.0029674 k( 143) = ( 0.0694444 0.0694444 0.1388889), wk = 0.0029674 k( 144) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0029674 k( 145) = ( 0.0555556 0.0555556 0.1111111), wk = 0.0029674 k( 146) = ( 0.0486111 0.0486111 0.0972222), wk = 0.0029674 k( 147) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0029674 k( 148) = ( 0.0347222 0.0347222 0.0694444), wk = 0.0029674 k( 149) = ( 0.0277778 0.0277778 0.0555556), wk = 0.0029674 k( 150) = ( 0.0208333 0.0208333 0.0416667), wk = 0.0029674 k( 151) = ( 0.0138889 0.0138889 0.0277778), wk = 0.0029674 k( 152) = ( 0.0069444 0.0069444 0.0138889), wk = 0.0029674 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 155) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0029674 k( 156) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0029674 k( 157) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0029674 k( 158) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0029674 k( 159) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0029674 k( 160) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0029674 k( 161) = ( 0.0795455 0.0795455 0.0795455), wk = 0.0029674 k( 162) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0029674 k( 163) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0029674 k( 164) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0029674 k( 165) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029674 k( 166) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0029674 k( 167) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0029674 k( 168) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0029674 k( 169) = ( 0.1704546 0.1704546 0.1704546), wk = 0.0029674 k( 170) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0029674 k( 171) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0029674 k( 172) = ( 0.2045454 0.2045455 0.2045455), wk = 0.0029674 k( 173) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0029674 k( 174) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0029674 k( 175) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0029674 k( 176) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029674 k( 177) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0029674 k( 178) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0029674 k( 179) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0029674 k( 180) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0029674 k( 181) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0029674 k( 182) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0029674 k( 183) = ( 0.3295455 0.3295455 0.3295455), wk = 0.0029674 k( 184) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0029674 k( 185) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0029674 k( 186) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0029674 k( 187) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029674 k( 188) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0029674 k( 189) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0029674 k( 190) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0029674 k( 191) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0029674 k( 192) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0029674 k( 193) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0029674 k( 194) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0029674 k( 195) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0029674 k( 196) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0029674 k( 197) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0029674 k( 198) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 200) = ( 0.5040323 0.4919355 0.5040323), wk = 0.0029674 k( 201) = ( 0.5080645 0.4838710 0.5080645), wk = 0.0029674 k( 202) = ( 0.5120968 0.4758065 0.5120968), wk = 0.0029674 k( 203) = ( 0.5161290 0.4677419 0.5161290), wk = 0.0029674 k( 204) = ( 0.5201613 0.4596774 0.5201613), wk = 0.0029674 k( 205) = ( 0.5241936 0.4516129 0.5241936), wk = 0.0029674 k( 206) = ( 0.5282258 0.4435484 0.5282258), wk = 0.0029674 k( 207) = ( 0.5322581 0.4354839 0.5322581), wk = 0.0029674 k( 208) = ( 0.5362903 0.4274193 0.5362903), wk = 0.0029674 k( 209) = ( 0.5403226 0.4193548 0.5403226), wk = 0.0029674 k( 210) = ( 0.5443548 0.4112903 0.5443548), wk = 0.0029674 k( 211) = ( 0.5483871 0.4032258 0.5483871), wk = 0.0029674 k( 212) = ( 0.5524193 0.3951613 0.5524193), wk = 0.0029674 k( 213) = ( 0.5564516 0.3870968 0.5564516), wk = 0.0029674 k( 214) = ( 0.5604839 0.3790323 0.5604839), wk = 0.0029674 k( 215) = ( 0.5645161 0.3709677 0.5645161), wk = 0.0029674 k( 216) = ( 0.5685484 0.3629032 0.5685484), wk = 0.0029674 k( 217) = ( 0.5725807 0.3548387 0.5725807), wk = 0.0029674 k( 218) = ( 0.5766129 0.3467742 0.5766129), wk = 0.0029674 k( 219) = ( 0.5806452 0.3387097 0.5806452), wk = 0.0029674 k( 220) = ( 0.5846774 0.3306452 0.5846774), wk = 0.0029674 k( 221) = ( 0.5887097 0.3225807 0.5887097), wk = 0.0029674 k( 222) = ( 0.5927419 0.3145161 0.5927419), wk = 0.0029674 k( 223) = ( 0.5967742 0.3064516 0.5967742), wk = 0.0029674 k( 224) = ( 0.6008064 0.2983871 0.6008064), wk = 0.0029674 k( 225) = ( 0.6048387 0.2903226 0.6048387), wk = 0.0029674 k( 226) = ( 0.6088710 0.2822581 0.6088710), wk = 0.0029674 k( 227) = ( 0.6129032 0.2741936 0.6129032), wk = 0.0029674 k( 228) = ( 0.6169355 0.2661290 0.6169355), wk = 0.0029674 k( 229) = ( 0.6209677 0.2580645 0.6209677), wk = 0.0029674 k( 230) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029674 k( 231) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029674 k( 232) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0029674 k( 233) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0029674 k( 234) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0029674 k( 235) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0029674 k( 236) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0029674 k( 237) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0029674 k( 238) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0029674 k( 239) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0029674 k( 240) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0029674 k( 241) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0029674 k( 242) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0029674 k( 243) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0029674 k( 244) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0029674 k( 245) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0029674 k( 246) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0029674 k( 247) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0029674 k( 248) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0029674 k( 249) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 250) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 251) = ( 0.5000000 0.2569444 0.7430556), wk = 0.0029674 k( 252) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0029674 k( 253) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0029674 k( 254) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0029674 k( 255) = ( 0.5000000 0.2847222 0.7152778), wk = 0.0029674 k( 256) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0029674 k( 257) = ( 0.5000000 0.2986111 0.7013889), wk = 0.0029674 k( 258) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0029674 k( 259) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0029674 k( 260) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0029674 k( 261) = ( 0.5000000 0.3263889 0.6736111), wk = 0.0029674 k( 262) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0029674 k( 263) = ( 0.5000000 0.3402778 0.6597222), wk = 0.0029674 k( 264) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0029674 k( 265) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0029674 k( 266) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0029674 k( 267) = ( 0.5000000 0.3680556 0.6319444), wk = 0.0029674 k( 268) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0029674 k( 269) = ( 0.5000000 0.3819444 0.6180556), wk = 0.0029674 k( 270) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0029674 k( 271) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0029674 k( 272) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0029674 k( 273) = ( 0.5000000 0.4097222 0.5902778), wk = 0.0029674 k( 274) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0029674 k( 275) = ( 0.5000000 0.4236111 0.5763889), wk = 0.0029674 k( 276) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0029674 k( 277) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0029674 k( 278) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0029674 k( 279) = ( 0.5000000 0.4513889 0.5486111), wk = 0.0029674 k( 280) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0029674 k( 281) = ( 0.5000000 0.4652778 0.5347222), wk = 0.0029674 k( 282) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0029674 k( 283) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0029674 k( 284) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0029674 k( 285) = ( 0.5000000 0.4930556 0.5069444), wk = 0.0029674 k( 286) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 288) = ( 0.4959677 0.4959677 0.5080645), wk = 0.0029674 k( 289) = ( 0.4919355 0.4919355 0.5161290), wk = 0.0029674 k( 290) = ( 0.4879032 0.4879032 0.5241936), wk = 0.0029674 k( 291) = ( 0.4838710 0.4838710 0.5322581), wk = 0.0029674 k( 292) = ( 0.4798387 0.4798387 0.5403226), wk = 0.0029674 k( 293) = ( 0.4758064 0.4758064 0.5483871), wk = 0.0029674 k( 294) = ( 0.4717742 0.4717742 0.5564516), wk = 0.0029674 k( 295) = ( 0.4677419 0.4677419 0.5645161), wk = 0.0029674 k( 296) = ( 0.4637097 0.4637097 0.5725807), wk = 0.0029674 k( 297) = ( 0.4596774 0.4596774 0.5806452), wk = 0.0029674 k( 298) = ( 0.4556452 0.4556452 0.5887097), wk = 0.0029674 k( 299) = ( 0.4516129 0.4516129 0.5967742), wk = 0.0029674 k( 300) = ( 0.4475807 0.4475807 0.6048387), wk = 0.0029674 k( 301) = ( 0.4435484 0.4435484 0.6129032), wk = 0.0029674 k( 302) = ( 0.4395161 0.4395161 0.6209677), wk = 0.0029674 k( 303) = ( 0.4354839 0.4354839 0.6290323), wk = 0.0029674 k( 304) = ( 0.4314516 0.4314516 0.6370968), wk = 0.0029674 k( 305) = ( 0.4274193 0.4274193 0.6451613), wk = 0.0029674 k( 306) = ( 0.4233871 0.4233871 0.6532258), wk = 0.0029674 k( 307) = ( 0.4193548 0.4193548 0.6612903), wk = 0.0029674 k( 308) = ( 0.4153226 0.4153226 0.6693548), wk = 0.0029674 k( 309) = ( 0.4112903 0.4112903 0.6774193), wk = 0.0029674 k( 310) = ( 0.4072581 0.4072581 0.6854839), wk = 0.0029674 k( 311) = ( 0.4032258 0.4032258 0.6935484), wk = 0.0029674 k( 312) = ( 0.3991936 0.3991936 0.7016129), wk = 0.0029674 k( 313) = ( 0.3951613 0.3951613 0.7096774), wk = 0.0029674 k( 314) = ( 0.3911290 0.3911290 0.7177419), wk = 0.0029674 k( 315) = ( 0.3870968 0.3870968 0.7258064), wk = 0.0029674 k( 316) = ( 0.3830645 0.3830645 0.7338710), wk = 0.0029674 k( 317) = ( 0.3790323 0.3790323 0.7419355), wk = 0.0029674 k( 318) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029674 k( 319) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029674 k( 320) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0029674 k( 321) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0029674 k( 322) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0029674 k( 323) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0029674 k( 324) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0029674 k( 325) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0029674 k( 326) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0029674 k( 327) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0029674 k( 328) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0029674 k( 329) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0029674 k( 330) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0029674 k( 331) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0029674 k( 332) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0029674 k( 333) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0029674 k( 334) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0029674 k( 335) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0029674 k( 336) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0029674 k( 337) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 Dense grid: 27725 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 19891 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 146, 46) NL pseudopotentials 0.13 Mb ( 73, 118) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 770) G-vector shells 0.00 Mb ( 243) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.41 Mb ( 146, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.17 Mb ( 118, 2, 46) The potential is recalculated from file : ./ZrNi2Sn.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 4.8 secs Computing kpt #: 7 total cpu time spent up to now is 5.1 secs Computing kpt #: 8 total cpu time spent up to now is 5.5 secs Computing kpt #: 9 total cpu time spent up to now is 5.8 secs Computing kpt #: 10 total cpu time spent up to now is 6.2 secs Computing kpt #: 11 total cpu time spent up to now is 6.5 secs Computing kpt #: 12 total cpu time spent up to now is 6.9 secs Computing kpt #: 13 total cpu time spent up to now is 7.2 secs Computing kpt #: 14 total cpu time spent up to now is 7.6 secs Computing kpt #: 15 total cpu time spent up to now is 7.9 secs Computing kpt #: 16 total cpu time spent up to now is 8.3 secs Computing kpt #: 17 total cpu time spent up to now is 8.6 secs Computing kpt #: 18 total cpu time spent up to now is 8.9 secs Computing kpt #: 19 total cpu time spent up to now is 9.3 secs Computing kpt #: 20 total cpu time spent up to now is 9.6 secs Computing kpt #: 21 total cpu time spent up to now is 10.0 secs Computing kpt #: 22 total cpu time spent up to now is 10.4 secs Computing kpt #: 23 total cpu time spent up to now is 10.7 secs Computing kpt #: 24 total cpu time spent up to now is 11.1 secs Computing kpt #: 25 total cpu time spent up to now is 11.4 secs Computing kpt #: 26 total cpu time spent up to now is 11.8 secs Computing kpt #: 27 total cpu time spent up to now is 12.2 secs Computing kpt #: 28 total cpu time spent up to now is 12.5 secs Computing kpt #: 29 total cpu time spent up to now is 12.9 secs Computing kpt #: 30 total cpu time spent up to now is 13.2 secs Computing kpt #: 31 total cpu time spent up to now is 13.6 secs Computing kpt #: 32 total cpu time spent up to now is 13.9 secs Computing kpt #: 33 total cpu time spent up to now is 14.4 secs Computing kpt #: 34 total cpu time spent up to now is 14.7 secs Computing kpt #: 35 total cpu time spent up to now is 15.1 secs Computing kpt #: 36 total cpu time spent up to now is 15.4 secs Computing kpt #: 37 total cpu time spent up to now is 15.8 secs Computing kpt #: 38 total cpu time spent up to now is 16.1 secs Computing kpt #: 39 total cpu time spent up to now is 16.4 secs Computing kpt #: 40 total cpu time spent up to now is 16.8 secs Computing kpt #: 41 total cpu time spent up to now is 17.1 secs Computing kpt #: 42 total cpu time spent up to now is 17.4 secs Computing kpt #: 43 total cpu time spent up to now is 17.7 secs Computing kpt #: 44 total cpu time spent up to now is 18.1 secs Computing kpt #: 45 total cpu time spent up to now is 18.4 secs Computing kpt #: 46 total cpu time spent up to now is 18.7 secs Computing kpt #: 47 total cpu time spent up to now is 19.0 secs Computing kpt #: 48 total cpu time spent up to now is 19.3 secs Computing kpt #: 49 total cpu time spent up to now is 19.6 secs Computing kpt #: 50 total cpu time spent up to now is 19.9 secs Computing kpt #: 51 total cpu time spent up to now is 20.2 secs Computing kpt #: 52 total cpu time spent up to now is 20.5 secs Computing kpt #: 53 total cpu time spent up to now is 20.8 secs Computing kpt #: 54 total cpu time spent up to now is 21.1 secs Computing kpt #: 55 total cpu time spent up to now is 21.4 secs Computing kpt #: 56 total cpu time spent up to now is 21.7 secs Computing kpt #: 57 total cpu time spent up to now is 22.0 secs Computing kpt #: 58 total cpu time spent up to now is 22.3 secs Computing kpt #: 59 total cpu time spent up to now is 22.6 secs Computing kpt #: 60 total cpu time spent up to now is 22.9 secs Computing kpt #: 61 total cpu time spent up to now is 23.3 secs Computing kpt #: 62 total cpu time spent up to now is 23.6 secs Computing kpt #: 63 total cpu time spent up to now is 23.9 secs Computing kpt #: 64 total cpu time spent up to now is 24.2 secs Computing kpt #: 65 total cpu time spent up to now is 24.5 secs Computing kpt #: 66 total cpu time spent up to now is 24.9 secs Computing kpt #: 67 total cpu time spent up to now is 25.2 secs Computing kpt #: 68 total cpu time spent up to now is 25.5 secs Computing kpt #: 69 total cpu time spent up to now is 25.8 secs Computing kpt #: 70 total cpu time spent up to now is 26.2 secs Computing kpt #: 71 total cpu time spent up to now is 26.5 secs Computing kpt #: 72 total cpu time spent up to now is 26.8 secs Computing kpt #: 73 total cpu time spent up to now is 27.1 secs Computing kpt #: 74 total cpu time spent up to now is 27.5 secs Computing kpt #: 75 total cpu time spent up to now is 27.8 secs Computing kpt #: 76 total cpu time spent up to now is 28.1 secs Computing kpt #: 77 total cpu time spent up to now is 28.5 secs Computing kpt #: 78 total cpu time spent up to now is 28.8 secs Computing kpt #: 79 total cpu time spent up to now is 29.1 secs Computing kpt #: 80 total cpu time spent up to now is 29.4 secs Computing kpt #: 81 total cpu time spent up to now is 29.8 secs Computing kpt #: 82 total cpu time spent up to now is 30.1 secs Computing kpt #: 83 total cpu time spent up to now is 30.4 secs Computing kpt #: 84 total cpu time spent up to now is 30.8 secs Computing kpt #: 85 total cpu time spent up to now is 31.1 secs Computing kpt #: 86 total cpu time spent up to now is 31.4 secs Computing kpt #: 87 total cpu time spent up to now is 31.8 secs Computing kpt #: 88 total cpu time spent up to now is 32.1 secs Computing kpt #: 89 total cpu time spent up to now is 32.4 secs Computing kpt #: 90 total cpu time spent up to now is 32.8 secs Computing kpt #: 91 total cpu time spent up to now is 33.1 secs Computing kpt #: 92 total cpu time spent up to now is 33.5 secs Computing kpt #: 93 total cpu time spent up to now is 33.8 secs Computing kpt #: 94 total cpu time spent up to now is 34.2 secs Computing kpt #: 95 total cpu time spent up to now is 34.6 secs Computing kpt #: 96 total cpu time spent up to now is 34.9 secs Computing kpt #: 97 total cpu time spent up to now is 35.3 secs Computing kpt #: 98 total cpu 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40.8 secs Computing kpt #: 114 total cpu time spent up to now is 41.2 secs Computing kpt #: 115 total cpu time spent up to now is 41.5 secs Computing kpt #: 116 total cpu time spent up to now is 41.9 secs Computing kpt #: 117 total cpu time spent up to now is 42.3 secs Computing kpt #: 118 total cpu time spent up to now is 42.6 secs Computing kpt #: 119 total cpu time spent up to now is 43.0 secs Computing kpt #: 120 total cpu time spent up to now is 43.4 secs Computing kpt #: 121 total cpu time spent up to now is 43.7 secs Computing kpt #: 122 total cpu time spent up to now is 44.1 secs Computing kpt #: 123 total cpu time spent up to now is 44.5 secs Computing kpt #: 124 total cpu time spent up to now is 44.9 secs Computing kpt #: 125 total cpu time spent up to now is 45.3 secs Computing kpt #: 126 total cpu time spent up to now is 45.7 secs Computing kpt #: 127 total cpu time spent up to now is 46.0 secs Computing kpt #: 128 total cpu time spent up to now is 46.4 secs Computing kpt #: 129 total cpu time spent up to now is 46.8 secs Computing kpt #: 130 total cpu time spent up to now is 47.1 secs Computing kpt #: 131 total cpu time spent up to now is 47.5 secs Computing kpt #: 132 total cpu time spent up to now is 47.8 secs Computing kpt #: 133 total cpu time spent up to now is 48.1 secs Computing kpt #: 134 total cpu time spent up to now is 48.5 secs Computing kpt #: 135 total cpu time spent up to now is 48.8 secs Computing kpt #: 136 total cpu time spent up to now is 49.2 secs Computing kpt #: 137 total cpu time spent up to now is 49.5 secs Computing kpt #: 138 total cpu time spent up to now is 49.9 secs Computing kpt #: 139 total cpu time spent up to now is 50.2 secs Computing kpt #: 140 total cpu time spent up to now is 50.6 secs Computing kpt #: 141 total cpu time spent up to now is 50.9 secs Computing kpt #: 142 total cpu time spent up to now is 51.2 secs Computing kpt #: 143 total cpu time spent up to now is 51.6 secs Computing kpt #: 144 total cpu time spent up to now is 51.9 secs Computing kpt #: 145 total cpu time spent up to now is 52.3 secs Computing kpt #: 146 total cpu time spent up to now is 52.6 secs Computing kpt #: 147 total cpu time spent up to now is 52.9 secs Computing kpt #: 148 total cpu time spent up to now is 53.3 secs Computing kpt #: 149 total cpu time spent up to now is 53.6 secs Computing kpt #: 150 total cpu time spent up to now is 54.0 secs Computing kpt #: 151 total cpu time spent up to now is 54.3 secs Computing kpt #: 152 total cpu time spent up to now is 54.7 secs Computing kpt #: 153 total cpu time spent up to now is 55.0 secs Computing kpt #: 154 total cpu time spent up to now is 55.3 secs Computing kpt #: 155 total cpu time spent up to now is 55.7 secs Computing kpt #: 156 total cpu time spent up to now is 56.1 secs Computing kpt #: 157 total cpu time spent up to now is 56.4 secs Computing kpt #: 158 total cpu time spent up to now is 56.8 secs Computing kpt #: 159 total cpu time spent up to now is 57.1 secs Computing kpt #: 160 total cpu time spent up to now is 57.5 secs Computing kpt #: 161 total cpu time spent up to now is 57.8 secs Computing kpt #: 162 total cpu time spent up to now is 58.2 secs Computing kpt #: 163 total cpu time spent up to now is 58.5 secs Computing kpt #: 164 total cpu time spent up to now is 58.9 secs Computing kpt #: 165 total cpu time spent up to now is 59.3 secs Computing kpt #: 166 total cpu time spent up to now is 59.6 secs Computing kpt #: 167 total cpu time spent up to now is 60.0 secs Computing kpt #: 168 total cpu time spent up to now is 60.4 secs Computing kpt #: 169 total cpu time spent up to now is 60.7 secs Computing kpt #: 170 total cpu time spent up to now is 61.1 secs Computing kpt #: 171 total cpu time spent up to now is 61.5 secs Computing kpt #: 172 total cpu time spent up to now is 61.9 secs Computing kpt #: 173 total cpu time spent up to now is 62.3 secs Computing kpt #: 174 total cpu time spent up to now is 62.7 secs Computing kpt #: 175 total cpu time spent up to now is 63.2 secs Computing kpt #: 176 total cpu time spent up to now is 63.7 secs Computing kpt #: 177 total cpu time spent up to now is 64.1 secs Computing kpt #: 178 total cpu time spent up to now is 64.5 secs Computing kpt #: 179 total cpu time spent up to now is 64.8 secs Computing kpt #: 180 total cpu time spent up to now is 65.2 secs Computing kpt #: 181 total cpu time spent up to now is 65.5 secs Computing kpt #: 182 total cpu time spent up to now is 65.8 secs Computing kpt #: 183 total cpu time spent up to now is 66.1 secs Computing kpt #: 184 total cpu time spent up to now is 66.4 secs Computing kpt #: 185 total cpu time spent up to now is 66.7 secs Computing kpt #: 186 total cpu time spent up to now is 67.0 secs Computing kpt #: 187 total cpu time spent up to now is 67.4 secs Computing kpt #: 188 total cpu time spent up to now is 67.7 secs Computing kpt #: 189 total cpu time spent up to now is 68.0 secs Computing kpt #: 190 total cpu time spent up to now is 68.3 secs Computing kpt #: 191 total cpu time spent up to now is 68.6 secs Computing kpt #: 192 total cpu time spent up to now is 68.9 secs Computing kpt #: 193 total cpu time spent up to now is 69.2 secs Computing kpt #: 194 total cpu time spent up to now is 69.5 secs Computing kpt #: 195 total cpu time spent up to now is 69.8 secs Computing kpt #: 196 total cpu time spent up to now is 70.1 secs Computing kpt #: 197 total cpu time spent up to now is 70.4 secs Computing kpt #: 198 total cpu time spent up to now is 70.7 secs Computing kpt #: 199 total cpu time spent up to now is 71.0 secs Computing kpt #: 200 total cpu time spent up to now is 71.3 secs Computing kpt #: 201 total cpu time spent up to now is 71.6 secs Computing kpt #: 202 total cpu time spent up to now is 71.9 secs Computing kpt #: 203 total cpu time spent up to now is 72.2 secs Computing kpt #: 204 total cpu time spent up to now is 72.5 secs Computing kpt #: 205 total cpu time spent up to now is 72.9 secs Computing kpt #: 206 total cpu time spent up to now is 73.2 secs Computing kpt #: 207 total cpu time spent up to now is 73.5 secs Computing kpt #: 208 total cpu time spent up to now is 73.9 secs Computing kpt #: 209 total cpu time spent up to now is 74.2 secs Computing kpt #: 210 total cpu time spent up to now is 74.6 secs Computing kpt #: 211 total cpu time spent up to now is 74.9 secs Computing kpt #: 212 total cpu time spent up to now is 75.3 secs Computing kpt #: 213 total cpu time spent up to now is 75.7 secs Computing kpt #: 214 total cpu time spent up to now is 76.0 secs Computing kpt #: 215 total cpu time spent up to now is 76.4 secs Computing kpt #: 216 total cpu time spent up to now is 76.8 secs Computing kpt #: 217 total cpu time spent up to now is 77.1 secs Computing kpt #: 218 total cpu time spent up to now is 77.5 secs Computing kpt #: 219 total cpu time spent up to now is 77.8 secs Computing kpt #: 220 total cpu time spent up to now is 78.2 secs Computing kpt #: 221 total cpu time spent up to now is 78.6 secs Computing kpt #: 222 total cpu time spent up to now is 78.9 secs Computing kpt #: 223 total cpu time spent up to now is 79.3 secs Computing kpt #: 224 total cpu time spent up to now is 79.7 secs Computing kpt #: 225 total cpu time spent up to now is 80.0 secs Computing kpt #: 226 total cpu time spent up to now is 80.4 secs Computing kpt #: 227 total cpu time spent up to now is 80.8 secs Computing kpt #: 228 total cpu time spent up to now is 81.2 secs Computing kpt #: 229 total cpu time spent up to now is 81.6 secs Computing kpt #: 230 total cpu time spent up to now is 81.9 secs Computing kpt #: 231 total cpu time spent up to now is 82.3 secs Computing kpt #: 232 total cpu time spent up to now is 82.6 secs Computing kpt #: 233 total cpu time spent up to now is 83.0 secs Computing kpt #: 234 total cpu time spent up to now is 83.3 secs Computing kpt #: 235 total cpu time spent up to now is 83.7 secs Computing kpt #: 236 total cpu time spent up to now is 84.1 secs Computing kpt #: 237 total cpu time spent up to now is 84.4 secs Computing kpt #: 238 total cpu time spent up to now is 84.7 secs Computing kpt #: 239 total cpu time spent up to now is 85.1 secs Computing kpt #: 240 total cpu time spent up to now is 85.4 secs Computing kpt #: 241 total cpu time spent up to now is 85.8 secs Computing kpt #: 242 total cpu time spent up to now is 86.1 secs Computing kpt #: 243 total cpu time spent up to now is 86.4 secs Computing kpt #: 244 total cpu time spent up to now is 86.8 secs Computing kpt #: 245 total cpu time spent up to now is 87.1 secs Computing kpt #: 246 total cpu time spent up to now is 87.4 secs Computing kpt #: 247 total cpu time spent up to now is 87.8 secs Computing kpt #: 248 total cpu time spent up to now is 88.1 secs Computing kpt #: 249 total cpu time spent up to now is 88.4 secs Computing kpt #: 250 total cpu time spent up to now is 88.8 secs Computing kpt #: 251 total cpu time spent up to now is 89.1 secs Computing kpt #: 252 total cpu time spent up to now is 89.4 secs Computing kpt #: 253 total cpu time spent up to now is 89.7 secs Computing kpt #: 254 total cpu time spent up to now is 90.1 secs Computing kpt #: 255 total cpu time spent up to now is 90.4 secs Computing kpt #: 256 total cpu time spent up to now is 90.7 secs Computing kpt #: 257 total cpu time spent up to now is 91.1 secs Computing kpt #: 258 total cpu time spent up to now is 91.4 secs Computing kpt #: 259 total cpu time spent up to now is 91.7 secs Computing kpt #: 260 total cpu time spent up to now is 92.1 secs Computing kpt #: 261 total cpu time spent up to now is 92.4 secs Computing kpt #: 262 total cpu time spent up to now is 92.8 secs Computing kpt #: 263 total cpu time spent up to now is 93.1 secs Computing kpt #: 264 total cpu time spent up to now is 93.5 secs Computing kpt #: 265 total cpu time spent up to now is 93.8 secs Computing kpt #: 266 total cpu time spent up to now is 94.2 secs Computing kpt #: 267 total cpu time spent up to now is 94.5 secs Computing kpt #: 268 total cpu time spent up to now is 94.9 secs Computing kpt #: 269 total cpu time spent up to now is 95.3 secs Computing kpt #: 270 total cpu time spent up to now is 95.7 secs Computing kpt #: 271 total cpu time spent up to now is 96.0 secs Computing kpt #: 272 total cpu time spent up to now is 96.4 secs Computing kpt #: 273 total cpu time spent up to now is 96.8 secs Computing kpt #: 274 total cpu time spent up to now is 97.1 secs Computing kpt #: 275 total cpu time spent up to now is 97.5 secs Computing kpt #: 276 total cpu time spent up to now is 97.8 secs Computing kpt #: 277 total cpu time spent up to now is 98.2 secs Computing kpt #: 278 total cpu time spent up to now is 98.5 secs Computing kpt #: 279 total cpu time spent up to now is 98.8 secs Computing kpt #: 280 total cpu time spent up to now is 99.1 secs Computing kpt #: 281 total cpu time spent up to now is 99.5 secs Computing kpt #: 282 total cpu time spent up to now is 99.8 secs Computing kpt #: 283 total cpu time spent up to now is 100.1 secs Computing kpt #: 284 total cpu time spent up to now is 100.4 secs Computing kpt #: 285 total cpu time spent up to now is 100.7 secs Computing kpt #: 286 total cpu time spent up to now is 101.0 secs Computing kpt #: 287 total cpu time spent up to now is 101.3 secs Computing kpt #: 288 total cpu time spent up to now is 101.6 secs Computing kpt #: 289 total cpu time spent up to now is 101.9 secs Computing kpt #: 290 total cpu time spent up to now is 102.2 secs Computing kpt #: 291 total cpu time spent up to now is 102.5 secs Computing kpt #: 292 total cpu time spent up to now is 102.8 secs Computing kpt #: 293 total cpu time spent up to now is 103.1 secs Computing kpt #: 294 total cpu time spent up to now is 103.4 secs Computing kpt #: 295 total cpu time spent up to now is 103.8 secs Computing kpt #: 296 total cpu time spent up to now is 104.1 secs Computing kpt #: 297 total cpu time spent up to now is 104.5 secs Computing kpt #: 298 total cpu time spent up to now is 104.8 secs Computing kpt #: 299 total cpu time spent up to now is 105.2 secs Computing kpt #: 300 total cpu time spent up to now is 105.5 secs Computing kpt #: 301 total cpu time spent up to now is 105.9 secs Computing kpt #: 302 total cpu time spent up to now is 106.3 secs Computing kpt #: 303 total cpu time spent up to now is 106.6 secs Computing kpt #: 304 total cpu time spent up to now is 107.0 secs Computing kpt #: 305 total cpu time spent up to now is 107.4 secs Computing kpt #: 306 total cpu time spent up to now is 107.7 secs Computing kpt #: 307 total cpu time spent up to now is 108.1 secs Computing kpt #: 308 total cpu time spent up to now is 108.4 secs Computing kpt #: 309 total cpu time spent up to now is 108.8 secs Computing kpt #: 310 total cpu time spent up to now is 109.2 secs Computing kpt #: 311 total cpu time spent up to now is 109.5 secs Computing kpt #: 312 total cpu time spent up to now is 110.0 secs Computing kpt #: 313 total cpu time spent up to now is 110.3 secs Computing kpt #: 314 total cpu time spent up to now is 110.7 secs Computing kpt #: 315 total cpu time spent up to now is 111.1 secs Computing kpt #: 316 total cpu time spent up to now is 111.5 secs Computing kpt #: 317 total cpu time spent up to now is 111.8 secs Computing kpt #: 318 total cpu time spent up to now is 112.2 secs Computing kpt #: 319 total cpu time spent up to now is 112.6 secs Computing kpt #: 320 total cpu time spent up to now is 112.9 secs Computing kpt #: 321 total cpu time spent up to now is 113.2 secs Computing kpt #: 322 total cpu time spent up to now is 113.5 secs Computing kpt #: 323 total cpu time spent up to now is 113.9 secs Computing kpt #: 324 total cpu time spent up to now is 114.2 secs Computing kpt #: 325 total cpu time spent up to now is 114.5 secs Computing kpt #: 326 total cpu time spent up to now is 114.8 secs Computing kpt #: 327 total cpu time spent up to now is 115.2 secs Computing kpt #: 328 total cpu time spent up to now is 115.5 secs Computing kpt #: 329 total cpu time spent up to now is 115.8 secs Computing kpt #: 330 total cpu time spent up to now is 116.1 secs Computing kpt #: 331 total cpu time spent up to now is 116.4 secs Computing kpt #: 332 total cpu time spent up to now is 116.7 secs Computing kpt #: 333 total cpu time spent up to now is 117.0 secs Computing kpt #: 334 total cpu time spent up to now is 117.3 secs Computing kpt #: 335 total cpu time spent up to now is 117.6 secs Computing kpt #: 336 total cpu time spent up to now is 117.9 secs Computing kpt #: 337 total cpu time spent up to now is 118.2 secs ethr = 2.63E-08, avg # of iterations = 15.8 total cpu time spent up to now is 118.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2445 PWs) bands (ev): -8.5848 -8.5848 -8.5848 -8.5848 -7.5573 -7.5573 -7.5573 -7.5573 -7.5563 -7.5563 2.7809 2.7809 10.1483 10.1483 10.2728 10.2728 10.2728 10.2728 10.3249 10.3249 10.3249 10.3249 11.4191 11.4191 11.4191 11.4191 11.4854 11.4854 12.4219 12.4219 12.4219 12.4219 12.6311 12.6311 12.6311 12.6311 12.6873 12.6873 15.2871 15.2871 15.2871 15.2871 15.7379 15.7379 16.1900 16.1900 k = 0.0098-0.0057 0.0080 ( 2445 PWs) bands (ev): -8.5848 -8.5848 -8.5848 -8.5848 -7.5573 -7.5573 -7.5573 -7.5573 -7.5563 -7.5563 2.7825 2.7825 10.1439 10.1439 10.2564 10.2564 10.2732 10.2732 10.3254 10.3254 10.3435 10.3435 11.4181 11.4181 11.4194 11.4194 11.4849 11.4849 12.4141 12.4141 12.4218 12.4218 12.6286 12.6286 12.6346 12.6346 12.6883 12.6883 15.2720 15.2720 15.2865 15.2865 15.7433 15.7433 16.1629 16.1629 k = 0.0196-0.0113 0.0160 ( 2461 PWs) bands (ev): -8.5848 -8.5848 -8.5848 -8.5848 -7.5573 -7.5573 -7.5573 -7.5573 -7.5563 -7.5563 2.7872 2.7872 10.1284 10.1284 10.2329 10.2329 10.2741 10.2741 10.3271 10.3271 10.3758 10.3758 11.4150 11.4150 11.4202 11.4202 11.4836 11.4836 12.3929 12.3929 12.4217 12.4217 12.6212 12.6212 12.6395 12.6395 12.6946 12.6946 15.2289 15.2289 15.2848 15.2848 15.7579 15.7579 16.1157 16.1157 k = 0.0294-0.0170 0.0240 ( 2465 PWs) bands (ev): -8.5848 -8.5848 -8.5847 -8.5847 -7.5573 -7.5573 -7.5572 -7.5572 -7.5562 -7.5562 2.7950 2.7950 10.0990 10.0990 10.2175 10.2175 10.2758 10.2758 10.3300 10.3300 10.4094 10.4094 11.4092 11.4092 11.4215 11.4215 11.4820 11.4820 12.3640 12.3640 12.4215 12.4215 12.6091 12.6091 12.6366 12.6366 12.7108 12.7108 15.1636 15.1636 15.2819 15.2819 15.7787 15.7787 16.0776 16.0776 k = 0.0392-0.0226 0.0320 ( 2485 PWs) bands (ev): -8.5848 -8.5848 -8.5846 -8.5846 -7.5573 -7.5573 -7.5571 -7.5571 -7.5562 -7.5562 2.8058 2.8058 10.0577 10.0577 10.2104 10.2104 10.2781 10.2781 10.3339 10.3339 10.4424 10.4424 11.4000 11.4000 11.4233 11.4233 11.4806 11.4806 12.3307 12.3307 12.4210 12.4210 12.5924 12.5924 12.6248 12.6248 12.7345 12.7345 15.0825 15.0825 15.2779 15.2779 15.8020 15.8020 16.0563 16.0563 k = 0.0490-0.0283 0.0400 ( 2489 PWs) bands (ev): -8.5848 -8.5848 -8.5845 -8.5845 -7.5573 -7.5573 -7.5570 -7.5570 -7.5561 -7.5561 2.8198 2.8198 10.0086 10.0086 10.2083 10.2083 10.2812 10.2812 10.3390 10.3390 10.4743 10.4743 11.3866 11.3866 11.4257 11.4257 11.4800 11.4800 12.2956 12.2956 12.4206 12.4206 12.5714 12.5714 12.6068 12.6068 12.7611 12.7611 14.9914 14.9914 15.2728 15.2728 15.8247 15.8247 16.0534 16.0534 k = 0.0588-0.0340 0.0480 ( 2497 PWs) bands (ev): -8.5847 -8.5847 -8.5843 -8.5843 -7.5572 -7.5572 -7.5568 -7.5568 -7.5560 -7.5560 2.8368 2.8368 9.9540 9.9540 10.2090 10.2090 10.2850 10.2850 10.3451 10.3451 10.5050 10.5050 11.3686 11.3686 11.4286 11.4286 11.4806 11.4806 12.2604 12.2604 12.4200 12.4200 12.5467 12.5467 12.5841 12.5841 12.7883 12.7883 14.8948 14.8948 15.2665 15.2665 15.8442 15.8442 16.0686 16.0686 k = 0.0686-0.0396 0.0560 ( 2497 PWs) bands (ev): -8.5847 -8.5847 -8.5841 -8.5841 -7.5572 -7.5572 -7.5565 -7.5565 -7.5558 -7.5558 2.8568 2.8568 9.8954 9.8954 10.2112 10.2112 10.2894 10.2894 10.3524 10.3524 10.5344 10.5344 11.3457 11.3457 11.4320 11.4320 11.4823 11.4823 12.2261 12.2261 12.4191 12.4191 12.5187 12.5187 12.5577 12.5577 12.8149 12.8149 14.7959 14.7959 15.2591 15.2591 15.8600 15.8600 16.1001 16.1001 k = 0.0784-0.0453 0.0640 ( 2517 PWs) bands (ev): -8.5847 -8.5847 -8.5839 -8.5839 -7.5573 -7.5573 -7.5563 -7.5563 -7.5556 -7.5556 2.8799 2.8799 9.8332 9.8332 10.2146 10.2146 10.2945 10.2945 10.3607 10.3607 10.5626 10.5626 11.3179 11.3179 11.4360 11.4360 11.4852 11.4852 12.1934 12.1934 12.4175 12.4175 12.4880 12.4880 12.5280 12.5280 12.8402 12.8402 14.6968 14.6968 15.2506 15.2506 15.8733 15.8733 16.1444 16.1444 k = 0.0882-0.0509 0.0720 ( 2517 PWs) bands (ev): -8.5846 -8.5846 -8.5837 -8.5837 -7.5572 -7.5572 -7.5560 -7.5560 -7.5554 -7.5554 2.9059 2.9059 9.7680 9.7680 10.2190 10.2190 10.3004 10.3004 10.3701 10.3701 10.5897 10.5897 11.2852 11.2852 11.4406 11.4406 11.4891 11.4891 12.1631 12.1631 12.4143 12.4143 12.4564 12.4564 12.4954 12.4954 12.8641 12.8641 14.5991 14.5991 15.2410 15.2410 15.8858 15.8858 16.1983 16.1983 k = 0.0980-0.0566 0.0800 ( 2517 PWs) bands (ev): -8.5846 -8.5846 -8.5834 -8.5834 -7.5572 -7.5572 -7.5557 -7.5557 -7.5551 -7.5551 2.9349 2.9349 9.7002 9.7002 10.2241 10.2241 10.3068 10.3068 10.3805 10.3805 10.6158 10.6158 11.2479 11.2479 11.4457 11.4457 11.4939 11.4939 12.1355 12.1355 12.4020 12.4020 12.4316 12.4316 12.4605 12.4605 12.8862 12.8862 14.5037 14.5037 15.2304 15.2304 15.8987 15.8987 16.2590 16.2590 k = 0.1078-0.0623 0.0881 ( 2517 PWs) bands (ev): -8.5845 -8.5845 -8.5831 -8.5831 -7.5572 -7.5572 -7.5554 -7.5554 -7.5549 -7.5549 2.9667 2.9667 9.6299 9.6299 10.2300 10.2300 10.3139 10.3139 10.3920 10.3920 10.6411 10.6411 11.2062 11.2062 11.4515 11.4515 11.4996 11.4996 12.1108 12.1108 12.3712 12.3712 12.4234 12.4234 12.4235 12.4235 12.9066 12.9066 14.4110 14.4110 15.2187 15.2187 15.9124 15.9124 16.3246 16.3246 k = 0.1176-0.0679 0.0961 ( 2517 PWs) bands (ev): -8.5845 -8.5845 -8.5829 -8.5829 -7.5572 -7.5572 -7.5551 -7.5551 -7.5545 -7.5545 3.0013 3.0013 9.5574 9.5574 10.2365 10.2365 10.3217 10.3217 10.4044 10.4044 10.6655 10.6655 11.1605 11.1605 11.4577 11.4577 11.5062 11.5062 12.0889 12.0889 12.3332 12.3332 12.3849 12.3849 12.4209 12.4209 12.9252 12.9252 14.3215 14.3215 15.2059 15.2059 15.9275 15.9275 16.3933 16.3933 k = 0.1275-0.0736 0.1041 ( 2533 PWs) bands (ev): -8.5844 -8.5844 -8.5826 -8.5826 -7.5573 -7.5573 -7.5547 -7.5547 -7.5542 -7.5542 3.0387 3.0387 9.4832 9.4832 10.2435 10.2435 10.3300 10.3300 10.4178 10.4178 10.6890 10.6890 11.1111 11.1111 11.4645 11.4645 11.5134 11.5134 12.0697 12.0697 12.2928 12.2928 12.3450 12.3450 12.4195 12.4195 12.9420 12.9420 14.2353 14.2353 15.1922 15.1922 15.9440 15.9440 16.4636 16.4636 k = 0.1373-0.0792 0.1121 ( 2521 PWs) bands (ev): -8.5843 -8.5843 -8.5822 -8.5822 -7.5573 -7.5573 -7.5544 -7.5544 -7.5538 -7.5538 3.0788 3.0788 9.4075 9.4075 10.2512 10.2512 10.3390 10.3390 10.4323 10.4323 10.7118 10.7118 11.0587 11.0587 11.4720 11.4720 11.5215 11.5215 12.0534 12.0534 12.2513 12.2513 12.3041 12.3041 12.4184 12.4184 12.9572 12.9572 14.1524 14.1524 15.1775 15.1775 15.9620 15.9620 16.5341 16.5341 k = 0.1471-0.0849 0.1201 ( 2521 PWs) bands (ev): -8.5842 -8.5842 -8.5819 -8.5819 -7.5573 -7.5573 -7.5540 -7.5540 -7.5534 -7.5534 3.1215 3.1215 9.3306 9.3306 10.2594 10.2594 10.3486 10.3486 10.4475 10.4475 10.7340 10.7340 11.0036 11.0036 11.4800 11.4800 11.5303 11.5303 12.0394 12.0394 12.2090 12.2090 12.2627 12.2627 12.4174 12.4174 12.9707 12.9707 14.0727 14.0727 15.1619 15.1619 15.9815 15.9815 16.6032 16.6032 k = 0.1569-0.0906 0.1281 ( 2517 PWs) bands (ev): -8.5842 -8.5842 -8.5816 -8.5816 -7.5573 -7.5573 -7.5536 -7.5536 -7.5530 -7.5530 3.1668 3.1668 9.2529 9.2529 10.2682 10.2682 10.3587 10.3587 10.4635 10.4635 10.7553 10.7553 10.9464 10.9464 11.4886 11.4886 11.5398 11.5398 12.0275 12.0275 12.1664 12.1664 12.2209 12.2209 12.4165 12.4165 12.9826 12.9826 13.9961 13.9961 15.1453 15.1453 16.0024 16.0024 16.6692 16.6692 k = 0.1667-0.0962 0.1361 ( 2505 PWs) bands (ev): -8.5841 -8.5841 -8.5812 -8.5812 -7.5573 -7.5573 -7.5533 -7.5533 -7.5526 -7.5526 3.2145 3.2145 9.1746 9.1746 10.2775 10.2775 10.3694 10.3694 10.4804 10.4804 10.7760 10.7760 10.8877 10.8877 11.4978 11.4978 11.5499 11.5499 12.0175 12.0175 12.1237 12.1237 12.1792 12.1792 12.4157 12.4157 12.9931 12.9931 13.9224 13.9224 15.1278 15.1278 16.0248 16.0248 16.7304 16.7304 k = 0.1765-0.1019 0.1441 ( 2509 PWs) bands (ev): -8.5840 -8.5840 -8.5809 -8.5809 -7.5573 -7.5573 -7.5529 -7.5529 -7.5521 -7.5521 3.2646 3.2646 9.0962 9.0962 10.2872 10.2872 10.3805 10.3805 10.4979 10.4979 10.7958 10.7958 10.8277 10.8277 11.5075 11.5075 11.5607 11.5607 12.0087 12.0087 12.0812 12.0812 12.1379 12.1379 12.4148 12.4148 13.0020 13.0020 13.8515 13.8515 15.1095 15.1095 16.0485 16.0485 16.7846 16.7846 k = 0.1863-0.1075 0.1521 ( 2509 PWs) bands (ev): -8.5839 -8.5839 -8.5806 -8.5806 -7.5574 -7.5574 -7.5526 -7.5526 -7.5517 -7.5517 3.3168 3.3168 9.0179 9.0179 10.2974 10.2974 10.3920 10.3920 10.5161 10.5161 10.7672 10.7672 10.8148 10.8148 11.5177 11.5177 11.5721 11.5721 12.0007 12.0007 12.0391 12.0391 12.0978 12.0978 12.4140 12.4140 13.0096 13.0096 13.7832 13.7832 15.0905 15.0905 16.0736 16.0736 16.8302 16.8302 k = 0.1961-0.1132 0.1601 ( 2501 PWs) bands (ev): -8.5838 -8.5838 -8.5802 -8.5802 -7.5574 -7.5574 -7.5523 -7.5523 -7.5512 -7.5512 3.3713 3.3713 8.9401 8.9401 10.3081 10.3081 10.4039 10.4039 10.5348 10.5348 10.7067 10.7067 10.8328 10.8328 11.5284 11.5284 11.5840 11.5840 11.9919 11.9919 11.9976 11.9976 12.0604 12.0604 12.4132 12.4132 13.0161 13.0161 13.7171 13.7171 15.0706 15.0706 16.0999 16.0999 16.8651 16.8651 k = 0.2059-0.1189 0.1681 ( 2501 PWs) bands (ev): -8.5837 -8.5837 -8.5799 -8.5799 -7.5574 -7.5574 -7.5520 -7.5520 -7.5507 -7.5507 3.4276 3.4276 8.8631 8.8631 10.3190 10.3190 10.4158 10.4158 10.5531 10.5531 10.6474 10.6474 10.8499 10.8499 11.5394 11.5394 11.5962 11.5962 11.9570 11.9570 11.9781 11.9781 12.0300 12.0300 12.4123 12.4123 13.0214 13.0214 13.6533 13.6533 15.0501 15.0501 16.1275 16.1275 16.8878 16.8878 k = 0.2157-0.1245 0.1761 ( 2501 PWs) bands (ev): -8.5836 -8.5836 -8.5796 -8.5796 -7.5574 -7.5574 -7.5517 -7.5517 -7.5503 -7.5503 3.4859 3.4859 8.7872 8.7872 10.3304 10.3304 10.4273 10.4273 10.5633 10.5633 10.5980 10.5980 10.8658 10.8658 11.5507 11.5507 11.6085 11.6085 11.9175 11.9175 11.9535 11.9535 12.0126 12.0126 12.4115 12.4115 13.0257 13.0257 13.5914 13.5914 15.0289 15.0289 16.1562 16.1562 16.8973 16.8973 k = 0.2255-0.1302 0.1841 ( 2501 PWs) bands (ev): -8.5835 -8.5835 -8.5793 -8.5793 -7.5575 -7.5575 -7.5514 -7.5514 -7.5498 -7.5498 3.5458 3.5458 8.7126 8.7126 10.3420 10.3420 10.4361 10.4361 10.5246 10.5246 10.6014 10.6014 10.8804 10.8804 11.5620 11.5620 11.6206 11.6206 11.8795 11.8795 11.9217 11.9217 12.0051 12.0051 12.4107 12.4107 13.0290 13.0290 13.5313 13.5313 15.0071 15.0071 16.1860 16.1860 16.8931 16.8931 k = 0.2353-0.1358 0.1921 ( 2501 PWs) bands (ev): -8.5834 -8.5834 -8.5790 -8.5790 -7.5575 -7.5575 -7.5512 -7.5512 -7.5493 -7.5493 3.6072 3.6072 8.6397 8.6397 10.3540 10.3540 10.4291 10.4291 10.4873 10.4873 10.6208 10.6208 10.8937 10.8937 11.5730 11.5730 11.6318 11.6318 11.8433 11.8433 11.8887 11.8887 12.0018 12.0018 12.4098 12.4098 13.0314 13.0314 13.4729 13.4729 14.9848 14.9848 16.2168 16.2168 16.8754 16.8754 k = 0.2451-0.1415 0.2001 ( 2501 PWs) bands (ev): -8.5834 -8.5834 -8.5788 -8.5788 -7.5575 -7.5575 -7.5510 -7.5510 -7.5488 -7.5488 3.6700 3.6700 8.5687 8.5687 10.3662 10.3662 10.3872 10.3872 10.4849 10.4849 10.6420 10.6420 10.9054 10.9054 11.5829 11.5829 11.6409 11.6409 11.8098 11.8098 11.8581 11.8581 12.0005 12.0005 12.4090 12.4090 13.0331 13.0331 13.4160 13.4160 14.9621 14.9621 16.2484 16.2484 16.8451 16.8451 k = 0.2549-0.1472 0.2081 ( 2493 PWs) bands (ev): -8.5833 -8.5833 -8.5785 -8.5785 -7.5576 -7.5576 -7.5508 -7.5508 -7.5483 -7.5483 3.7339 3.7339 8.4999 8.4999 10.3334 10.3334 10.3786 10.3786 10.4955 10.4955 10.6636 10.6636 10.9154 10.9154 11.5907 11.5907 11.6462 11.6462 11.7802 11.7802 11.8324 11.8324 12.0006 12.0006 12.4083 12.4083 13.0340 13.0340 13.3607 13.3607 14.9390 14.9390 16.2808 16.2808 16.8036 16.8036 k = 0.2647-0.1528 0.2161 ( 2493 PWs) bands (ev): -8.5832 -8.5832 -8.5783 -8.5783 -7.5576 -7.5576 -7.5507 -7.5507 -7.5478 -7.5478 3.7987 3.7987 8.4335 8.4335 10.2782 10.2782 10.3912 10.3912 10.5090 10.5090 10.6858 10.6858 10.9234 10.9234 11.5944 11.5944 11.6449 11.6449 11.7563 11.7563 11.8146 11.8146 12.0014 12.0014 12.4076 12.4076 13.0343 13.0343 13.3067 13.3067 14.9155 14.9155 16.3137 16.3137 16.7527 16.7527 k = 0.2745-0.1585 0.2241 ( 2493 PWs) bands (ev): -8.5831 -8.5831 -8.5781 -8.5781 -7.5576 -7.5576 -7.5505 -7.5505 -7.5474 -7.5474 3.8642 3.8642 8.3697 8.3697 10.2236 10.2236 10.4039 10.4039 10.5235 10.5235 10.7082 10.7082 10.9294 10.9294 11.5914 11.5914 11.6348 11.6348 11.7409 11.7409 11.8068 11.8068 12.0030 12.0030 12.4068 12.4068 13.0340 13.0340 13.2542 13.2542 14.8919 14.8919 16.3468 16.3468 16.6942 16.6942 k = 0.2843-0.1641 0.2321 ( 2493 PWs) bands (ev): -8.5830 -8.5830 -8.5779 -8.5779 -7.5576 -7.5576 -7.5504 -7.5504 -7.5469 -7.5469 3.9301 3.9301 8.3088 8.3088 10.1703 10.1703 10.4167 10.4167 10.5386 10.5386 10.7307 10.7307 10.9331 10.9331 11.5801 11.5801 11.6165 11.6165 11.7354 11.7354 11.8089 11.8089 12.0051 12.0051 12.4061 12.4061 13.0332 13.0332 13.2032 13.2032 14.8681 14.8681 16.3792 16.3792 16.6306 16.6306 k = 0.2941-0.1698 0.2401 ( 2485 PWs) bands (ev): -8.5829 -8.5829 -8.5777 -8.5777 -7.5577 -7.5577 -7.5503 -7.5503 -7.5464 -7.5464 3.9963 3.9963 8.2509 8.2509 10.1184 10.1184 10.4296 10.4296 10.5540 10.5540 10.7532 10.7532 10.9344 10.9344 11.5618 11.5618 11.5923 11.5923 11.7388 11.7388 11.8182 11.8182 12.0078 12.0078 12.4054 12.4054 13.0319 13.0319 13.1539 13.1539 14.8443 14.8443 16.4084 16.4084 16.5658 16.5658 k = 0.3039-0.1755 0.2482 ( 2485 PWs) bands (ev): -8.5828 -8.5828 -8.5775 -8.5775 -7.5577 -7.5577 -7.5503 -7.5503 -7.5460 -7.5460 4.0623 4.0623 8.1962 8.1962 10.0683 10.0683 10.4424 10.4424 10.5697 10.5697 10.7757 10.7757 10.9330 10.9330 11.5391 11.5391 11.5650 11.5650 11.7483 11.7483 11.8320 11.8320 12.0111 12.0111 12.4047 12.4047 13.0302 13.0302 13.1060 13.1060 14.8205 14.8205 16.4206 16.4206 16.5148 16.5148 k = 0.3137-0.1811 0.2562 ( 2485 PWs) bands (ev): -8.5828 -8.5828 -8.5774 -8.5774 -7.5577 -7.5577 -7.5503 -7.5503 -7.5455 -7.5455 4.1280 4.1280 8.1448 8.1448 10.0200 10.0200 10.4552 10.4552 10.5855 10.5855 10.7980 10.7980 10.9288 10.9288 11.5142 11.5142 11.5361 11.5361 11.7617 11.7617 11.8488 11.8488 12.0149 12.0149 12.4039 12.4039 13.0282 13.0282 13.0600 13.0600 14.7969 14.7969 16.3809 16.3809 16.5134 16.5134 k = 0.3235-0.1868 0.2642 ( 2485 PWs) bands (ev): -8.5827 -8.5827 -8.5773 -8.5773 -7.5578 -7.5578 -7.5503 -7.5503 -7.5451 -7.5451 4.1929 4.1929 8.0969 8.0969 9.9737 9.9737 10.4679 10.4679 10.6015 10.6015 10.8201 10.8201 10.9218 10.9218 11.4886 11.4886 11.5067 11.5067 11.7774 11.7774 11.8671 11.8671 12.0192 12.0192 12.4033 12.4033 13.0158 13.0158 13.0260 13.0260 14.7735 14.7735 16.3121 16.3121 16.4333 16.4333 k = 0.3333-0.1925 0.2722 ( 2494 PWs) bands (ev): -8.5826 -8.5826 -8.5772 -8.5772 -7.5578 -7.5578 -7.5503 -7.5503 -7.5447 -7.5447 4.2569 4.2569 8.0525 8.0525 9.9295 9.9295 10.4803 10.4803 10.6175 10.6175 10.8417 10.8417 10.9118 10.9118 11.4631 11.4631 11.4773 11.4773 11.7945 11.7945 11.8862 11.8862 12.0242 12.0242 12.4028 12.4028 12.9738 12.9738 13.0234 13.0234 14.7505 14.7505 16.2373 16.2373 16.3492 16.3492 k = 0.3431-0.1981 0.2802 ( 2482 PWs) bands (ev): -8.5825 -8.5825 -8.5771 -8.5771 -7.5578 -7.5578 -7.5504 -7.5504 -7.5443 -7.5443 4.3195 4.3195 8.0118 8.0118 9.8874 9.8874 10.4926 10.4926 10.6336 10.6336 10.8630 10.8630 10.8990 10.8990 11.4382 11.4382 11.4484 11.4484 11.8127 11.8127 11.9056 11.9056 12.0301 12.0301 12.4024 12.4024 12.9340 12.9340 13.0208 13.0208 14.7280 14.7280 16.1615 16.1615 16.2661 16.2661 k = 0.3529-0.2038 0.2882 ( 2482 PWs) bands (ev): -8.5824 -8.5824 -8.5770 -8.5770 -7.5578 -7.5578 -7.5504 -7.5504 -7.5439 -7.5439 4.3804 4.3804 7.9749 7.9749 9.8476 9.8476 10.5046 10.5046 10.6495 10.6495 10.8833 10.8833 10.8836 10.8836 11.4140 11.4140 11.4200 11.4200 11.8314 11.8314 11.9245 11.9245 12.0370 12.0370 12.4019 12.4019 12.8967 12.8967 13.0180 13.0180 14.7060 14.7060 16.0864 16.0864 16.1845 16.1845 k = 0.3627-0.2094 0.2962 ( 2482 PWs) bands (ev): -8.5824 -8.5824 -8.5770 -8.5770 -7.5579 -7.5579 -7.5505 -7.5505 -7.5436 -7.5436 4.4393 4.4393 7.9416 7.9416 9.8101 9.8101 10.5163 10.5163 10.6654 10.6654 10.8649 10.8649 10.9036 10.9036 11.3909 11.3909 11.3925 11.3925 11.8504 11.8504 11.9424 11.9424 12.0454 12.0454 12.4016 12.4016 12.8619 12.8619 13.0152 13.0152 14.6847 14.6847 16.0128 16.0128 16.1050 16.1050 k = 0.3725-0.2151 0.3042 ( 2478 PWs) bands (ev): -8.5823 -8.5823 -8.5769 -8.5769 -7.5579 -7.5579 -7.5506 -7.5506 -7.5432 -7.5432 4.4959 4.4959 7.9120 7.9120 9.7749 9.7749 10.5275 10.5275 10.6812 10.6812 10.8441 10.8441 10.9228 10.9228 11.3659 11.3659 11.3689 11.3689 11.8694 11.8694 11.9585 11.9585 12.0554 12.0554 12.4012 12.4012 12.8298 12.8298 13.0124 13.0124 14.6643 14.6643 15.9415 15.9415 16.0282 16.0282 k = 0.3824-0.2208 0.3122 ( 2478 PWs) bands (ev): -8.5823 -8.5823 -8.5769 -8.5769 -7.5579 -7.5579 -7.5506 -7.5506 -7.5429 -7.5429 4.5497 4.5497 7.8861 7.8861 9.7422 9.7422 10.5383 10.5383 10.6967 10.6967 10.8212 10.8212 10.9411 10.9411 11.3402 11.3402 11.3482 11.3482 11.8883 11.8883 11.9724 11.9724 12.0674 12.0674 12.4010 12.4010 12.8005 12.8005 13.0096 13.0096 14.6448 14.6448 15.8731 15.8731 15.9547 15.9547 k = 0.3922-0.2264 0.3202 ( 2486 PWs) bands (ev): -8.5822 -8.5822 -8.5769 -8.5769 -7.5579 -7.5579 -7.5508 -7.5508 -7.5426 -7.5426 4.6005 4.6005 7.8636 7.8636 9.7119 9.7119 10.5486 10.5486 10.7119 10.7119 10.7966 10.7966 10.9585 10.9585 11.3156 11.3156 11.3287 11.3287 11.9067 11.9067 11.9839 11.9839 12.0812 12.0812 12.4007 12.4007 12.7738 12.7738 13.0069 13.0069 14.6263 14.6263 15.8082 15.8082 15.8849 15.8849 k = 0.4020-0.2321 0.3282 ( 2498 PWs) bands (ev): -8.5822 -8.5822 -8.5769 -8.5769 -7.5580 -7.5580 -7.5509 -7.5509 -7.5424 -7.5424 4.6479 4.6479 7.8446 7.8446 9.6841 9.6841 10.5583 10.5583 10.7267 10.7267 10.7708 10.7708 10.9748 10.9748 11.2922 11.2922 11.3106 11.3106 11.9245 11.9245 11.9932 11.9932 12.0965 12.0965 12.4005 12.4005 12.7498 12.7498 13.0042 13.0042 14.6089 14.6089 15.7471 15.7471 15.8193 15.8193 k = 0.4118-0.2377 0.3362 ( 2490 PWs) bands (ev): -8.5821 -8.5821 -8.5768 -8.5768 -7.5580 -7.5580 -7.5510 -7.5510 -7.5421 -7.5421 4.6918 4.6918 7.8286 7.8286 9.6589 9.6589 10.5673 10.5673 10.7411 10.7411 10.7445 10.7445 10.9900 10.9900 11.2701 11.2701 11.2942 11.2942 11.9415 11.9415 12.0006 12.0006 12.1125 12.1125 12.4005 12.4005 12.7287 12.7287 13.0017 13.0017 14.5929 14.5929 15.6904 15.6904 15.7584 15.7584 k = 0.4216-0.2434 0.3442 ( 2478 PWs) bands (ev): -8.5821 -8.5821 -8.5768 -8.5768 -7.5580 -7.5580 -7.5511 -7.5511 -7.5418 -7.5418 4.7317 4.7317 7.8156 7.8156 9.6362 9.6362 10.5757 10.5757 10.7184 10.7184 10.7548 10.7548 11.0039 11.0039 11.2494 11.2494 11.2792 11.2792 11.9575 11.9575 12.0066 12.0066 12.1287 12.1287 12.4004 12.4004 12.7103 12.7103 12.9994 12.9994 14.5782 14.5782 15.6385 15.6385 15.7025 15.7025 k = 0.4314-0.2491 0.3522 ( 2478 PWs) bands (ev): -8.5820 -8.5820 -8.5768 -8.5768 -7.5580 -7.5580 -7.5511 -7.5511 -7.5416 -7.5416 4.7674 4.7674 7.8052 7.8052 9.6162 9.6162 10.5833 10.5833 10.6930 10.6930 10.7678 10.7678 11.0165 11.0165 11.2302 11.2302 11.2658 11.2658 11.9722 11.9722 12.0113 12.0113 12.1442 12.1442 12.4003 12.4003 12.6945 12.6945 12.9972 12.9972 14.5649 14.5649 15.5917 15.5917 15.6522 15.6522 k = 0.4412-0.2547 0.3602 ( 2478 PWs) bands (ev): -8.5820 -8.5820 -8.5768 -8.5768 -7.5580 -7.5580 -7.5512 -7.5512 -7.5415 -7.5415 4.7988 4.7988 7.7971 7.7971 9.5988 9.5988 10.5900 10.5900 10.6692 10.6692 10.7798 10.7798 11.0277 11.0277 11.2126 11.2126 11.2540 11.2540 11.9854 11.9854 12.0152 12.0152 12.1587 12.1587 12.4003 12.4003 12.6811 12.6811 12.9953 12.9953 14.5532 14.5532 15.5504 15.5504 15.6077 15.6077 k = 0.4510-0.2604 0.3682 ( 2478 PWs) bands (ev): -8.5820 -8.5820 -8.5768 -8.5768 -7.5580 -7.5580 -7.5513 -7.5513 -7.5413 -7.5413 4.8257 4.8257 7.7910 7.7910 9.5840 9.5840 10.5958 10.5958 10.6477 10.6477 10.7907 10.7907 11.0374 11.0374 11.1970 11.1970 11.2440 11.2440 11.9969 11.9969 12.0182 12.0182 12.1716 12.1716 12.4003 12.4003 12.6700 12.6700 12.9937 12.9937 14.5432 14.5432 15.5148 15.5148 15.5694 15.5694 k = 0.4608-0.2660 0.3762 ( 2482 PWs) bands (ev): -8.5820 -8.5820 -8.5768 -8.5768 -7.5580 -7.5580 -7.5514 -7.5514 -7.5412 -7.5412 4.8478 4.8478 7.7866 7.7866 9.5718 9.5718 10.6006 10.6006 10.6291 10.6291 10.8001 10.8001 11.0456 11.0456 11.1835 11.1835 11.2357 11.2357 12.0065 12.0065 12.0205 12.0205 12.1827 12.1827 12.4003 12.4003 12.6611 12.6611 12.9923 12.9923 14.5349 14.5349 15.4853 15.4853 15.5376 15.5376 k = 0.4706-0.2717 0.3842 ( 2482 PWs) bands (ev): -8.5820 -8.5820 -8.5768 -8.5768 -7.5581 -7.5581 -7.5514 -7.5514 -7.5411 -7.5411 4.8652 4.8652 7.7835 7.7835 9.5624 9.5624 10.6043 10.6043 10.6140 10.6140 10.8079 10.8079 11.0522 11.0522 11.1725 11.1725 11.2292 11.2292 12.0143 12.0143 12.0224 12.0224 12.1916 12.1916 12.4003 12.4003 12.6544 12.6544 12.9912 12.9912 14.5283 14.5283 15.4621 15.4621 15.5126 15.5126 k = 0.4804-0.2774 0.3922 ( 2486 PWs) bands (ev): -8.5819 -8.5819 -8.5768 -8.5768 -7.5581 -7.5581 -7.5515 -7.5515 -7.5410 -7.5410 4.8776 4.8776 7.7815 7.7815 9.5557 9.5557 10.6024 10.6024 10.6075 10.6075 10.8136 10.8136 11.0571 11.0571 11.1642 11.1642 11.2245 11.2245 12.0198 12.0198 12.0236 12.0236 12.1981 12.1981 12.4003 12.4003 12.6495 12.6495 12.9904 12.9904 14.5236 14.5236 15.4454 15.4454 15.4945 15.4945 k = 0.4902-0.2830 0.4002 ( 2486 PWs) bands (ev): -8.5819 -8.5819 -8.5768 -8.5768 -7.5581 -7.5581 -7.5515 -7.5515 -7.5410 -7.5410 4.8851 4.8851 7.7803 7.7803 9.5516 9.5516 10.5956 10.5956 10.6090 10.6090 10.8172 10.8172 11.0601 11.0601 11.1591 11.1591 11.2217 11.2217 12.0232 12.0232 12.0244 12.0244 12.2021 12.2021 12.4003 12.4003 12.6466 12.6466 12.9899 12.9899 14.5208 14.5208 15.4353 15.4353 15.4836 15.4836 k = 0.5000-0.2887 0.4082 ( 2498 PWs) bands (ev): -8.5819 -8.5819 -8.5769 -8.5769 -7.5581 -7.5581 -7.5515 -7.5515 -7.5410 -7.5410 4.8876 4.8876 7.7800 7.7800 9.5502 9.5502 10.5933 10.5933 10.6096 10.6096 10.8184 10.8184 11.0611 11.0611 11.1573 11.1573 11.2207 11.2207 12.0244 12.0244 12.0246 12.0246 12.2034 12.2034 12.4003 12.4003 12.6457 12.6457 12.9896 12.9896 14.5199 14.5199 15.4319 15.4319 15.4800 15.4800 k = 0.5000-0.2887 0.4082 ( 2498 PWs) bands (ev): -8.5819 -8.5819 -8.5769 -8.5769 -7.5581 -7.5581 -7.5515 -7.5515 -7.5410 -7.5410 4.8876 4.8876 7.7800 7.7800 9.5502 9.5502 10.5933 10.5933 10.6096 10.6096 10.8184 10.8184 11.0611 11.0611 11.1573 11.1573 11.2207 11.2207 12.0244 12.0244 12.0246 12.0246 12.2034 12.2034 12.4003 12.4003 12.6457 12.6457 12.9896 12.9896 14.5199 14.5199 15.4319 15.4319 15.4800 15.4800 k = 0.5000-0.2776 0.4161 ( 2488 PWs) bands (ev): -8.5819 -8.5819 -8.5769 -8.5769 -7.5580 -7.5580 -7.5515 -7.5515 -7.5410 -7.5410 4.8882 4.8882 7.7809 7.7809 9.5458 9.5458 10.5806 10.5806 10.6213 10.6213 10.8190 10.8190 11.0596 11.0596 11.1590 11.1590 11.2216 11.2216 12.0222 12.0222 12.0241 12.0241 12.1988 12.1988 12.4052 12.4052 12.6458 12.6458 12.9923 12.9923 14.5235 14.5235 15.4314 15.4314 15.4794 15.4794 k = 0.5000-0.2665 0.4240 ( 2482 PWs) bands (ev): -8.5819 -8.5819 -8.5768 -8.5768 -7.5580 -7.5580 -7.5515 -7.5515 -7.5410 -7.5410 4.8901 4.8901 7.7836 7.7836 9.5326 9.5326 10.5602 10.5602 10.6386 10.6386 10.8208 10.8208 11.0557 11.0557 11.1635 11.1635 11.2242 11.2242 12.0155 12.0155 12.0224 12.0224 12.1866 12.1866 12.4183 12.4183 12.6459 12.6459 13.0001 13.0001 14.5342 14.5342 15.4294 15.4294 15.4779 15.4779 k = 0.5000-0.2554 0.4318 ( 2482 PWs) bands (ev): -8.5818 -8.5818 -8.5769 -8.5769 -7.5579 -7.5579 -7.5515 -7.5515 -7.5410 -7.5410 4.8931 4.8931 7.7880 7.7880 9.5113 9.5113 10.5360 10.5360 10.6567 10.6567 10.8245 10.8245 11.0500 11.0500 11.1700 11.1700 11.2286 11.2286 12.0045 12.0045 12.0197 12.0197 12.1697 12.1697 12.4365 12.4365 12.6461 12.6461 13.0131 13.0131 14.5516 14.5516 15.4255 15.4255 15.4761 15.4762 k = 0.5000-0.2443 0.4397 ( 2478 PWs) bands (ev): -8.5818 -8.5818 -8.5769 -8.5769 -7.5578 -7.5578 -7.5514 -7.5514 -7.5411 -7.5411 4.8974 4.8974 7.7943 7.7943 9.4827 9.4827 10.5075 10.5075 10.6746 10.6746 10.8307 10.8307 11.0433 11.0433 11.1774 11.1774 11.2350 11.2350 11.9894 11.9894 12.0161 12.0161 12.1511 12.1511 12.4570 12.4570 12.6465 12.6465 13.0315 13.0315 14.5748 14.5748 15.4186 15.4186 15.4749 15.4749 k = 0.5000-0.2332 0.4475 ( 2478 PWs) bands (ev): -8.5817 -8.5817 -8.5769 -8.5769 -7.5576 -7.5576 -7.5514 -7.5514 -7.5411 -7.5411 4.9027 4.9027 7.8023 7.8023 9.4478 9.4478 10.4744 10.4744 10.6912 10.6912 10.8405 10.8405 11.0363 11.0363 11.1851 11.1851 11.2435 11.2435 11.9703 11.9703 12.0114 12.0114 12.1325 12.1325 12.4780 12.4780 12.6469 12.6469 13.0554 13.0554 14.6031 14.6031 15.4081 15.4081 15.4749 15.4749 k = 0.5000-0.2221 0.4554 ( 2478 PWs) bands (ev): -8.5816 -8.5816 -8.5769 -8.5769 -7.5574 -7.5574 -7.5514 -7.5514 -7.5412 -7.5412 4.9091 4.9091 7.8121 7.8121 9.4077 9.4077 10.4365 10.4365 10.7056 10.7056 10.8544 10.8544 11.0295 11.0295 11.1927 11.1927 11.2540 11.2540 11.9480 11.9480 12.0060 12.0060 12.1148 12.1148 12.4982 12.4982 12.6475 12.6475 13.0849 13.0849 14.6352 14.6352 15.3937 15.3937 15.4763 15.4763 k = 0.5000-0.2110 0.4632 ( 2482 PWs) bands (ev): -8.5815 -8.5815 -8.5769 -8.5769 -7.5573 -7.5573 -7.5513 -7.5513 -7.5413 -7.5413 4.9165 4.9165 7.8237 7.8237 9.3632 9.3632 10.3943 10.3943 10.7169 10.7169 10.8725 10.8725 11.0230 11.0230 11.2000 11.2000 11.2663 11.2663 11.9231 11.9231 11.9998 11.9998 12.0984 12.0984 12.5170 12.5170 12.6481 12.6481 13.1199 13.1199 14.6702 14.6702 15.3755 15.3755 15.4789 15.4789 k = 0.5000-0.1999 0.4711 ( 2488 PWs) bands (ev): -8.5814 -8.5814 -8.5769 -8.5769 -7.5570 -7.5570 -7.5513 -7.5513 -7.5414 -7.5414 4.9248 4.9248 7.8370 7.8370 9.3152 9.3152 10.3482 10.3482 10.7254 10.7254 10.8940 10.8940 11.0173 11.0173 11.2071 11.2071 11.2799 11.2799 11.8964 11.8964 11.9931 11.9931 12.0834 12.0834 12.5338 12.5338 12.6489 12.6489 13.1603 13.1603 14.7072 14.7072 15.3536 15.3536 15.4825 15.4825 k = 0.5000-0.1887 0.4789 ( 2484 PWs) bands (ev): -8.5812 -8.5812 -8.5769 -8.5769 -7.5568 -7.5568 -7.5512 -7.5512 -7.5415 -7.5415 4.9339 4.9339 7.8522 7.8522 9.2646 9.2646 10.2988 10.2988 10.7315 10.7315 10.9176 10.9176 11.0123 11.0123 11.2142 11.2142 11.2945 11.2945 11.8687 11.8687 11.9861 11.9861 12.0695 12.0695 12.5489 12.5489 12.6498 12.6498 13.2060 13.2060 14.7451 14.7451 15.3281 15.3281 15.4869 15.4869 k = 0.5000-0.1776 0.4868 ( 2488 PWs) bands (ev): -8.5810 -8.5810 -8.5770 -8.5770 -7.5565 -7.5565 -7.5511 -7.5511 -7.5417 -7.5417 4.9437 4.9437 7.8691 7.8691 9.2121 9.2121 10.2471 10.2471 10.7359 10.7359 10.9420 10.9420 11.0083 11.0083 11.2213 11.2213 11.3097 11.3097 11.8404 11.8404 11.9787 11.9787 12.0567 12.0567 12.5619 12.5619 12.6508 12.6508 13.2564 13.2564 14.7833 14.7833 15.2991 15.2991 15.4918 15.4918 k = 0.5000-0.1665 0.4946 ( 2488 PWs) bands (ev): -8.5809 -8.5809 -8.5770 -8.5770 -7.5563 -7.5563 -7.5510 -7.5510 -7.5418 -7.5418 4.9541 4.9541 7.8877 7.8877 9.1580 9.1580 10.1936 10.1936 10.7391 10.7391 10.9661 10.9661 11.0055 11.0055 11.2286 11.2286 11.3254 11.3254 11.8124 11.8124 11.9712 11.9712 12.0448 12.0448 12.5731 12.5731 12.6519 12.6519 13.3114 13.3114 14.8212 14.8212 15.2668 15.2668 15.4972 15.4972 k = 0.5000-0.1554 0.5025 ( 2488 PWs) bands (ev): -8.5807 -8.5807 -8.5771 -8.5771 -7.5560 -7.5560 -7.5509 -7.5509 -7.5420 -7.5420 4.9648 4.9648 7.9081 7.9081 9.1030 9.1030 10.1394 10.1394 10.7416 10.7416 10.9884 10.9884 11.0043 11.0043 11.2359 11.2359 11.3413 11.3413 11.7849 11.7849 11.9638 11.9638 12.0338 12.0338 12.5827 12.5827 12.6532 12.6532 13.3703 13.3703 14.8582 14.8582 15.2311 15.2311 15.5028 15.5028 k = 0.5000-0.1443 0.5103 ( 2496 PWs) bands (ev): -8.5805 -8.5805 -8.5771 -8.5771 -7.5557 -7.5557 -7.5508 -7.5508 -7.5422 -7.5422 4.9759 4.9759 7.9303 7.9303 9.0474 9.0474 10.0851 10.0851 10.7434 10.7434 11.0000 11.0000 11.0131 11.0131 11.2435 11.2435 11.3570 11.3570 11.7582 11.7582 11.9562 11.9562 12.0235 12.0235 12.5908 12.5908 12.6546 12.6546 13.4330 13.4330 14.8940 14.8940 15.1922 15.1922 15.5085 15.5085 k = 0.5000-0.1332 0.5182 ( 2488 PWs) bands (ev): -8.5803 -8.5803 -8.5771 -8.5771 -7.5555 -7.5555 -7.5506 -7.5506 -7.5424 -7.5424 4.9871 4.9871 7.9541 7.9541 8.9915 8.9915 10.0315 10.0315 10.7449 10.7449 11.0012 11.0012 11.0313 11.0313 11.2512 11.2512 11.3726 11.3726 11.7328 11.7328 11.9490 11.9490 12.0140 12.0140 12.5977 12.5977 12.6562 12.6562 13.4989 13.4989 14.9282 14.9282 15.1501 15.1501 15.5143 15.5143 k = 0.5000-0.1221 0.5260 ( 2488 PWs) bands (ev): -8.5802 -8.5802 -8.5772 -8.5772 -7.5552 -7.5552 -7.5504 -7.5504 -7.5426 -7.5426 4.9982 4.9982 7.9797 7.9797 8.9358 8.9358 9.9794 9.9794 10.7461 10.7461 11.0025 11.0025 11.0479 11.0479 11.2588 11.2588 11.3878 11.3878 11.7088 11.7088 11.9418 11.9418 12.0052 12.0052 12.6034 12.6034 12.6577 12.6577 13.5676 13.5676 14.9603 14.9603 15.1052 15.1052 15.5201 15.5201 k = 0.5000-0.1110 0.5339 ( 2488 PWs) bands (ev): -8.5800 -8.5800 -8.5772 -8.5772 -7.5550 -7.5550 -7.5502 -7.5502 -7.5428 -7.5428 5.0091 5.0091 8.0070 8.0070 8.8803 8.8803 9.9295 9.9295 10.7472 10.7472 11.0047 11.0047 11.0618 11.0618 11.2662 11.2662 11.4025 11.4025 11.6865 11.6865 11.9348 11.9348 11.9972 11.9972 12.6082 12.6082 12.6593 12.6593 13.6387 13.6387 14.9882 14.9882 15.0594 15.0594 15.5256 15.5256 k = 0.5000-0.0999 0.5417 ( 2482 PWs) bands (ev): -8.5798 -8.5798 -8.5773 -8.5773 -7.5548 -7.5548 -7.5499 -7.5499 -7.5431 -7.5431 5.0197 5.0197 8.0360 8.0360 8.8253 8.8253 9.8824 9.8824 10.7481 10.7481 11.0079 11.0079 11.0732 11.0732 11.2734 11.2734 11.4165 11.4165 11.6660 11.6660 11.9282 11.9282 11.9901 11.9901 12.6122 12.6122 12.6609 12.6609 13.7120 13.7120 14.9895 14.9895 15.0350 15.0350 15.5309 15.5309 k = 0.5000-0.0888 0.5496 ( 2482 PWs) bands (ev): -8.5796 -8.5796 -8.5773 -8.5773 -7.5546 -7.5546 -7.5497 -7.5497 -7.5433 -7.5433 5.0297 5.0297 8.0667 8.0667 8.7710 8.7710 9.8386 9.8386 10.7488 10.7488 11.0120 11.0120 11.0817 11.0817 11.2800 11.2800 11.4298 11.4298 11.6475 11.6475 11.9218 11.9218 11.9837 11.9837 12.6155 12.6155 12.6624 12.6624 13.7869 13.7869 14.9420 14.9420 15.0542 15.0542 15.5358 15.5358 k = 0.5000-0.0777 0.5574 ( 2496 PWs) bands (ev): -8.5794 -8.5794 -8.5774 -8.5774 -7.5544 -7.5544 -7.5494 -7.5494 -7.5436 -7.5436 5.0390 5.0390 8.0990 8.0990 8.7176 8.7176 9.7987 9.7987 10.7493 10.7493 11.0168 11.0168 11.0876 11.0876 11.2860 11.2860 11.4421 11.4421 11.6309 11.6309 11.9157 11.9157 11.9781 11.9781 12.6182 12.6182 12.6638 12.6638 13.8632 13.8632 14.8852 14.8852 15.0774 15.0774 15.5402 15.5402 k = 0.5000-0.0666 0.5653 ( 2490 PWs) bands (ev): -8.5792 -8.5792 -8.5775 -8.5775 -7.5543 -7.5543 -7.5491 -7.5491 -7.5438 -7.5438 5.0474 5.0474 8.1330 8.1330 8.6651 8.6651 9.7632 9.7632 10.7499 10.7499 11.0226 11.0226 11.0910 11.0910 11.2915 11.2915 11.4535 11.4535 11.6164 11.6164 11.9102 11.9102 11.9734 11.9734 12.6204 12.6204 12.6652 12.6652 13.9404 13.9404 14.8246 14.8246 15.0990 15.0990 15.5442 15.5442 k = 0.5000-0.0555 0.5731 ( 2490 PWs) bands (ev): -8.5790 -8.5790 -8.5776 -8.5776 -7.5542 -7.5542 -7.5488 -7.5488 -7.5441 -7.5441 5.0548 5.0548 8.1685 8.1685 8.6139 8.6139 9.7324 9.7324 10.7503 10.7503 11.0288 11.0288 11.0922 11.0922 11.2962 11.2962 11.4638 11.4638 11.6039 11.6039 11.9053 11.9053 11.9695 11.9695 12.6222 12.6222 12.6663 12.6663 14.0181 14.0181 14.7611 14.7611 15.1181 15.1181 15.5476 15.5476 k = 0.5000-0.0444 0.5810 ( 2486 PWs) bands (ev): -8.5789 -8.5789 -8.5777 -8.5777 -7.5541 -7.5541 -7.5485 -7.5485 -7.5443 -7.5443 5.0610 5.0610 8.2055 8.2055 8.5638 8.5638 9.7068 9.7068 10.7507 10.7507 11.0354 11.0354 11.0913 11.0913 11.3000 11.3000 11.4728 11.4728 11.5934 11.5934 11.9011 11.9011 11.9663 11.9663 12.6236 12.6236 12.6674 12.6674 14.0961 14.0961 14.6949 14.6949 15.1343 15.1343 15.5504 15.5504 k = 0.5000-0.0333 0.5888 ( 2484 PWs) bands (ev): -8.5787 -8.5787 -8.5778 -8.5778 -7.5540 -7.5540 -7.5483 -7.5483 -7.5445 -7.5445 5.0660 5.0660 8.2438 8.2438 8.5154 8.5154 9.6865 9.6865 10.7510 10.7510 11.0422 11.0422 11.0890 11.0890 11.3031 11.3031 11.4804 11.4804 11.5849 11.5849 11.8977 11.8977 11.9639 11.9639 12.6246 12.6246 12.6682 12.6682 14.1738 14.1738 14.6265 14.6265 15.1472 15.1472 15.5527 15.5527 k = 0.5000-0.0222 0.5967 ( 2488 PWs) bands (ev): -8.5786 -8.5786 -8.5779 -8.5779 -7.5540 -7.5540 -7.5481 -7.5481 -7.5447 -7.5447 5.0697 5.0697 8.2830 8.2830 8.4688 8.4688 9.6719 9.6719 10.7511 10.7511 11.0485 11.0485 11.0856 11.0856 11.3052 11.3052 11.4863 11.4863 11.5786 11.5786 11.8952 11.8952 11.9622 11.9622 12.6253 12.6253 12.6687 12.6687 14.2506 14.2506 14.5564 14.5564 15.1567 15.1567 15.5542 15.5542 k = 0.5000-0.0111 0.6045 ( 2488 PWs) bands (ev): -8.5784 -8.5784 -8.5780 -8.5780 -7.5539 -7.5539 -7.5479 -7.5479 -7.5448 -7.5448 5.0719 5.0719 8.3214 8.3214 8.4261 8.4261 9.6630 9.6630 10.7513 10.7513 11.0536 11.0536 11.0823 11.0823 11.3065 11.3065 11.4900 11.4900 11.5746 11.5746 11.8937 11.8937 11.9612 11.9612 12.6257 12.6257 12.6691 12.6691 14.3250 14.3250 14.4860 14.4860 15.1625 15.1625 15.5552 15.5552 k = 0.5000 0.0000 0.6124 ( 2488 PWs) bands (ev): -8.5784 -8.5784 -8.5780 -8.5780 -7.5539 -7.5539 -7.5479 -7.5479 -7.5449 -7.5449 5.0726 5.0726 8.3452 8.3452 8.4008 8.4008 9.6601 9.6601 10.7513 10.7513 11.0557 11.0557 11.0808 11.0808 11.3069 11.3069 11.4913 11.4913 11.5732 11.5732 11.8932 11.8932 11.9608 11.9608 12.6259 12.6259 12.6692 12.6692 14.3776 14.3776 14.4347 14.4347 15.1644 15.1644 15.5555 15.5555 k = 0.5000 0.0000 0.6124 ( 2488 PWs) bands (ev): -8.5784 -8.5784 -8.5780 -8.5780 -7.5539 -7.5539 -7.5479 -7.5479 -7.5449 -7.5449 5.0726 5.0726 8.3452 8.3452 8.4008 8.4008 9.6601 9.6601 10.7513 10.7513 11.0557 11.0557 11.0808 11.0808 11.3069 11.3069 11.4913 11.4913 11.5732 11.5732 11.8932 11.8932 11.9608 11.9608 12.6259 12.6259 12.6692 12.6692 14.3776 14.3776 14.4347 14.4347 15.1644 15.1644 15.5555 15.5555 k = 0.4931 0.0120 0.6124 ( 2488 PWs) bands (ev): -8.5784 -8.5784 -8.5780 -8.5780 -7.5539 -7.5539 -7.5479 -7.5479 -7.5448 -7.5448 5.0719 5.0719 8.3311 8.3311 8.4141 8.4141 9.6629 9.6629 10.7506 10.7506 11.0545 11.0545 11.0821 11.0821 11.3070 11.3070 11.4909 11.4909 11.5743 11.5743 11.8931 11.8931 11.9604 11.9604 12.6263 12.6263 12.6697 12.6697 14.3440 14.3440 14.4677 14.4677 15.1654 15.1654 15.5557 15.5557 k = 0.4861 0.0241 0.6124 ( 2486 PWs) bands (ev): -8.5785 -8.5785 -8.5779 -8.5779 -7.5539 -7.5539 -7.5480 -7.5480 -7.5448 -7.5448 5.0701 5.0701 8.3062 8.3062 8.4364 8.4364 9.6717 9.6717 10.7483 10.7483 11.0506 11.0506 11.0862 11.0862 11.3074 11.3074 11.4895 11.4895 11.5776 11.5776 11.8928 11.8928 11.9591 11.9591 12.6274 12.6274 12.6714 12.6714 14.2904 14.2904 14.5193 14.5193 15.1691 15.1691 15.5561 15.5561 k = 0.4792 0.0361 0.6124 ( 2486 PWs) bands (ev): -8.5786 -8.5786 -8.5778 -8.5778 -7.5539 -7.5539 -7.5481 -7.5481 -7.5447 -7.5447 5.0672 5.0672 8.2805 8.2805 8.4574 8.4574 9.6864 9.6864 10.7443 10.7443 11.0444 11.0444 11.0928 11.0928 11.3084 11.3084 11.4873 11.4873 11.5829 11.5829 11.8921 11.8921 11.9567 11.9567 12.6294 12.6294 12.6744 12.6744 14.2329 14.2329 14.5731 14.5731 15.1762 15.1762 15.5563 15.5563 k = 0.4722 0.0481 0.6124 ( 2492 PWs) bands (ev): -8.5787 -8.5787 -8.5778 -8.5778 -7.5540 -7.5540 -7.5483 -7.5483 -7.5446 -7.5446 5.0636 5.0636 8.2559 8.2559 8.4750 8.4750 9.7069 9.7069 10.7386 10.7386 11.0367 11.0367 11.1008 11.1008 11.3102 11.3102 11.4842 11.4842 11.5900 11.5900 11.8911 11.8911 11.9532 11.9532 12.6318 12.6318 12.6790 12.6790 14.1732 14.1732 14.6276 14.6276 15.1871 15.1871 15.5561 15.5561 k = 0.4653 0.0601 0.6124 ( 2490 PWs) bands (ev): -8.5788 -8.5788 -8.5777 -8.5777 -7.5540 -7.5540 -7.5484 -7.5484 -7.5444 -7.5444 5.0595 5.0595 8.2326 8.2326 8.4889 8.4889 9.7328 9.7328 10.7311 10.7311 11.0278 11.0278 11.1099 11.1099 11.3128 11.3128 11.4806 11.4806 11.5989 11.5989 11.8898 11.8898 11.9487 11.9487 12.6346 12.6346 12.6859 12.6859 14.1121 14.1121 14.6822 14.6822 15.2023 15.2023 15.5550 15.5550 k = 0.4583 0.0722 0.6124 ( 2484 PWs) bands (ev): -8.5788 -8.5788 -8.5776 -8.5776 -7.5539 -7.5539 -7.5486 -7.5486 -7.5443 -7.5443 5.0549 5.0549 8.2111 8.2111 8.4991 8.4991 9.7636 9.7636 10.7219 10.7219 11.0183 11.0183 11.1195 11.1195 11.3163 11.3163 11.4765 11.4765 11.6093 11.6093 11.8881 11.8881 11.9431 11.9431 12.6371 12.6371 12.6953 12.6953 14.0499 14.0499 14.7365 14.7365 15.2218 15.2218 15.5530 15.5530 k = 0.4514 0.0842 0.6124 ( 2489 PWs) bands (ev): -8.5789 -8.5789 -8.5776 -8.5776 -7.5539 -7.5539 -7.5488 -7.5488 -7.5442 -7.5442 5.0502 5.0502 8.1912 8.1912 8.5060 8.5060 9.7983 9.7983 10.7110 10.7110 11.0083 11.0083 11.1293 11.1293 11.3205 11.3205 11.4719 11.4719 11.6209 11.6209 11.8859 11.8859 11.9364 11.9364 12.6393 12.6393 12.7075 12.7075 13.9871 13.9871 14.7901 14.7901 15.2457 15.2457 15.5496 15.5496 k = 0.4444 0.0962 0.6124 ( 2487 PWs) bands (ev): -8.5790 -8.5790 -8.5775 -8.5775 -7.5539 -7.5539 -7.5490 -7.5490 -7.5440 -7.5440 5.0453 5.0453 8.1731 8.1731 8.5100 8.5100 9.8361 9.8361 10.6986 10.6986 10.9982 10.9982 11.1389 11.1389 11.3255 11.3255 11.4670 11.4670 11.6337 11.6337 11.8834 11.8834 11.9290 11.9290 12.6411 12.6411 12.7226 12.7226 13.9244 13.9244 14.8429 14.8429 15.2739 15.2739 15.5448 15.5448 k = 0.4375 0.1083 0.6124 ( 2480 PWs) bands (ev): -8.5791 -8.5791 -8.5775 -8.5775 -7.5539 -7.5539 -7.5492 -7.5492 -7.5439 -7.5439 5.0406 5.0406 8.1567 8.1567 8.5118 8.5118 9.8760 9.8760 10.6849 10.6849 10.9883 10.9883 11.1482 11.1482 11.3311 11.3311 11.4617 11.4617 11.6473 11.6473 11.8803 11.8803 11.9209 11.9209 12.6424 12.6424 12.7405 12.7405 13.8623 13.8623 14.8944 14.8944 15.3059 15.3059 15.5384 15.5384 k = 0.4306 0.1203 0.6124 ( 2492 PWs) bands (ev): -8.5792 -8.5792 -8.5774 -8.5774 -7.5539 -7.5539 -7.5494 -7.5494 -7.5437 -7.5437 5.0360 5.0360 8.1421 8.1421 8.5118 8.5118 9.9169 9.9169 10.6700 10.6700 10.9788 10.9788 11.1567 11.1567 11.3371 11.3371 11.4561 11.4561 11.6616 11.6616 11.8764 11.8764 11.9125 11.9125 12.6434 12.6434 12.7607 12.7607 13.8015 13.8015 14.9443 14.9443 15.3413 15.3413 15.5303 15.5303 k = 0.4236 0.1323 0.6124 ( 2492 PWs) bands (ev): -8.5792 -8.5792 -8.5774 -8.5774 -7.5539 -7.5539 -7.5496 -7.5496 -7.5436 -7.5436 5.0317 5.0317 8.1292 8.1292 8.5106 8.5106 9.9578 9.9578 10.6541 10.6541 10.9699 10.9699 11.1645 11.1645 11.3436 11.3436 11.4504 11.4504 11.6764 11.6764 11.8715 11.8715 11.9045 11.9045 12.6441 12.6441 12.7828 12.7828 13.7427 13.7427 14.9923 14.9923 15.3794 15.3794 15.5206 15.5206 k = 0.4167 0.1443 0.6124 ( 2490 PWs) bands (ev): -8.5793 -8.5793 -8.5774 -8.5774 -7.5538 -7.5538 -7.5497 -7.5497 -7.5435 -7.5435 5.0278 5.0278 8.1181 8.1181 8.5086 8.5086 9.9976 9.9976 10.6377 10.6377 10.9618 10.9618 11.1714 11.1714 11.3504 11.3504 11.4444 11.4444 11.6916 11.6916 11.8651 11.8651 11.8974 11.8974 12.6447 12.6447 12.8063 12.8063 13.6869 13.6869 15.0377 15.0377 15.4190 15.4190 15.5096 15.5096 k = 0.4097 0.1564 0.6124 ( 2485 PWs) bands (ev): -8.5793 -8.5793 -8.5773 -8.5773 -7.5538 -7.5538 -7.5499 -7.5499 -7.5434 -7.5434 5.0244 5.0244 8.1087 8.1087 8.5063 8.5063 10.0351 10.0351 10.6212 10.6212 10.9547 10.9547 11.1774 11.1774 11.3574 11.3574 11.4383 11.4383 11.7068 11.7068 11.8568 11.8568 11.8918 11.8918 12.6452 12.6452 12.8303 12.8303 13.6351 13.6351 15.0801 15.0801 15.4573 15.4573 15.4993 15.4993 k = 0.4028 0.1684 0.6124 ( 2491 PWs) bands (ev): -8.5794 -8.5794 -8.5773 -8.5773 -7.5538 -7.5538 -7.5500 -7.5500 -7.5433 -7.5433 5.0215 5.0215 8.1010 8.1010 8.5039 8.5039 10.0690 10.0690 10.6052 10.6052 10.9486 10.9486 11.1822 11.1822 11.3643 11.3643 11.4320 11.4320 11.7218 11.7218 11.8469 11.8469 11.8877 11.8877 12.6455 12.6455 12.8536 12.8536 13.5887 13.5887 15.1185 15.1185 15.4739 15.4739 15.5089 15.5089 k = 0.3958 0.1804 0.6124 ( 2492 PWs) bands (ev): -8.5794 -8.5794 -8.5773 -8.5773 -7.5538 -7.5538 -7.5501 -7.5501 -7.5433 -7.5433 5.0192 5.0192 8.0950 8.0950 8.5018 8.5018 10.0979 10.0979 10.5909 10.5909 10.9438 10.9438 11.1860 11.1860 11.3710 11.3710 11.4260 11.4260 11.7363 11.7363 11.8360 11.8360 11.8849 11.8849 12.6457 12.6457 12.8748 12.8748 13.5494 13.5494 15.1519 15.1519 15.4638 15.4638 15.5420 15.5420 k = 0.3889 0.1925 0.6124 ( 2492 PWs) bands (ev): -8.5794 -8.5794 -8.5773 -8.5773 -7.5538 -7.5538 -7.5502 -7.5502 -7.5432 -7.5432 5.0176 5.0176 8.0908 8.0908 8.5002 8.5002 10.1201 10.1201 10.5793 10.5793 10.9403 10.9403 11.1888 11.1888 11.3771 11.3771 11.4204 11.4204 11.7496 11.7496 11.8251 11.8251 11.8830 11.8830 12.6459 12.6459 12.8920 12.8920 13.5190 13.5190 15.1785 15.1785 15.4520 15.4520 15.5721 15.5721 k = 0.3819 0.2045 0.6124 ( 2492 PWs) bands (ev): -8.5794 -8.5794 -8.5773 -8.5773 -7.5538 -7.5538 -7.5502 -7.5502 -7.5432 -7.5432 5.0165 5.0165 8.0882 8.0882 8.4992 8.4992 10.1343 10.1343 10.5716 10.5716 10.9382 10.9382 11.1904 11.1904 11.3817 11.3817 11.4160 11.4160 11.7603 11.7603 11.8158 11.8158 11.8819 11.8819 12.6460 12.6460 12.9034 12.9034 13.4997 13.4997 15.1960 15.1960 15.4431 15.4431 15.5929 15.5929 k = 0.3750 0.2165 0.6124 ( 2502 PWs) bands (ev): -8.5795 -8.5795 -8.5773 -8.5773 -7.5538 -7.5538 -7.5502 -7.5502 -7.5432 -7.5432 5.0162 5.0162 8.0873 8.0873 8.4988 8.4988 10.1392 10.1392 10.5689 10.5689 10.9375 10.9375 11.1909 11.1909 11.3836 11.3836 11.4142 11.4142 11.7648 11.7648 11.8117 11.8117 11.8816 11.8816 12.6460 12.6460 12.9074 12.9074 13.4931 13.4931 15.2022 15.2022 15.4398 15.4398 15.6004 15.6004 k = 0.3750 0.2165 0.6124 ( 2502 PWs) bands (ev): -8.5795 -8.5795 -8.5773 -8.5773 -7.5538 -7.5538 -7.5502 -7.5502 -7.5432 -7.5432 5.0162 5.0162 8.0873 8.0873 8.4988 8.4988 10.1392 10.1392 10.5689 10.5689 10.9375 10.9375 11.1909 11.1909 11.3836 11.3836 11.4142 11.4142 11.7648 11.7648 11.8117 11.8117 11.8816 11.8816 12.6460 12.6460 12.9074 12.9074 13.4931 13.4931 15.2022 15.2022 15.4398 15.4398 15.6004 15.6004 k = 0.3681 0.2125 0.6010 ( 2494 PWs) bands (ev): -8.5793 -8.5793 -8.5773 -8.5773 -7.5535 -7.5535 -7.5500 -7.5500 -7.5434 -7.5434 5.0194 5.0194 8.1221 8.1221 8.4251 8.4251 10.0963 10.0963 10.5785 10.5785 10.9338 10.9338 11.2102 11.2102 11.3953 11.3953 11.4310 11.4310 11.7503 11.7503 11.8033 11.8033 11.8659 11.8659 12.6459 12.6459 12.9383 12.9383 13.5453 13.5453 15.1738 15.1738 15.4516 15.4516 15.7057 15.7057 k = 0.3611 0.2085 0.5897 ( 2490 PWs) bands (ev): -8.5791 -8.5791 -8.5773 -8.5773 -7.5532 -7.5532 -7.5498 -7.5498 -7.5436 -7.5436 5.0200 5.0200 8.1575 8.1575 8.3567 8.3567 10.0542 10.0542 10.5884 10.5884 10.9307 10.9307 11.2282 11.2282 11.4053 11.4053 11.4477 11.4477 11.7342 11.7342 11.7972 11.7972 11.8512 11.8512 12.6454 12.6454 12.9691 12.9691 13.6015 13.6015 15.1436 15.1436 15.4657 15.4657 15.8143 15.8143 k = 0.3542 0.2045 0.5784 ( 2484 PWs) bands (ev): -8.5789 -8.5789 -8.5773 -8.5773 -7.5530 -7.5530 -7.5496 -7.5496 -7.5439 -7.5439 5.0176 5.0176 8.1892 8.1892 8.2987 8.2987 10.0131 10.0131 10.5983 10.5983 10.9283 10.9283 11.2449 11.2449 11.4133 11.4133 11.4643 11.4643 11.7170 11.7170 11.7926 11.7926 11.8385 11.8385 12.6448 12.6448 13.0000 13.0000 13.6621 13.6621 15.1116 15.1116 15.4827 15.4827 15.8685 15.8685 k = 0.3472 0.2005 0.5670 ( 2488 PWs) bands (ev): -8.5788 -8.5788 -8.5773 -8.5773 -7.5528 -7.5528 -7.5494 -7.5494 -7.5441 -7.5441 5.0117 5.0117 8.1924 8.1924 8.2766 8.2766 9.9731 9.9731 10.6083 10.6083 10.9265 10.9265 11.2607 11.2607 11.4187 11.4187 11.4805 11.4805 11.6990 11.6990 11.7882 11.7882 11.8282 11.8282 12.6438 12.6438 13.0309 13.0309 13.7274 13.7274 15.0780 15.0780 15.5026 15.5026 15.8372 15.8372 k = 0.3403 0.1965 0.5557 ( 2496 PWs) bands (ev): -8.5787 -8.5787 -8.5774 -8.5774 -7.5527 -7.5527 -7.5492 -7.5492 -7.5444 -7.5444 5.0018 5.0018 8.1537 8.1537 8.3046 8.3046 9.9344 9.9344 10.6181 10.6181 10.9254 10.9254 11.2755 11.2755 11.4212 11.4212 11.4963 11.4963 11.6805 11.6805 11.7837 11.7837 11.8210 11.8210 12.6424 12.6424 13.0618 13.0618 13.7975 13.7975 15.0428 15.0428 15.5255 15.5255 15.8054 15.8054 k = 0.3333 0.1925 0.5443 ( 2492 PWs) bands (ev): -8.5786 -8.5786 -8.5773 -8.5773 -7.5526 -7.5526 -7.5489 -7.5489 -7.5446 -7.5446 4.9877 4.9877 8.1096 8.1096 8.3469 8.3469 9.8972 9.8972 10.6278 10.6278 10.9249 10.9249 11.2896 11.2896 11.4203 11.4203 11.5115 11.5115 11.6619 11.6619 11.7793 11.7793 11.8166 11.8166 12.6407 12.6407 13.0930 13.0930 13.8726 13.8726 15.0060 15.0060 15.5511 15.5511 15.7739 15.7739 k = 0.3264 0.1884 0.5330 ( 2504 PWs) bands (ev): -8.5787 -8.5787 -8.5773 -8.5773 -7.5525 -7.5525 -7.5487 -7.5487 -7.5449 -7.5449 4.9690 4.9690 8.0701 8.0701 8.3939 8.3939 9.8616 9.8616 10.6371 10.6371 10.9252 10.9252 11.3030 11.3030 11.4157 11.4157 11.5259 11.5259 11.6434 11.6434 11.7758 11.7758 11.8140 11.8140 12.6387 12.6387 13.1242 13.1242 13.9527 13.9527 14.9676 14.9676 15.5789 15.5789 15.7436 15.7436 k = 0.3194 0.1844 0.5217 ( 2500 PWs) bands (ev): -8.5787 -8.5787 -8.5772 -8.5772 -7.5524 -7.5524 -7.5485 -7.5485 -7.5451 -7.5451 4.9454 4.9454 8.0374 8.0374 8.4439 8.4439 9.8277 9.8277 10.6461 10.6461 10.9261 10.9261 11.3160 11.3160 11.4073 11.4073 11.5388 11.5388 11.6260 11.6260 11.7742 11.7742 11.8121 11.8121 12.6363 12.6363 13.1556 13.1556 14.0380 14.0380 14.9278 14.9278 15.6065 15.6065 15.7172 15.7172 k = 0.3125 0.1804 0.5103 ( 2492 PWs) bands (ev): -8.5787 -8.5787 -8.5771 -8.5771 -7.5524 -7.5524 -7.5483 -7.5483 -7.5453 -7.5453 4.9167 4.9167 8.0123 8.0123 8.4963 8.4963 9.7957 9.7957 10.6547 10.6547 10.9277 10.9277 11.3284 11.3284 11.3952 11.3952 11.5483 11.5483 11.6118 11.6118 11.7746 11.7746 11.8105 11.8105 12.6336 12.6336 13.1874 13.1874 14.1285 14.1285 14.8865 14.8865 15.6250 15.6250 15.7038 15.7038 k = 0.3056 0.1764 0.4990 ( 2492 PWs) bands (ev): -8.5788 -8.5788 -8.5771 -8.5771 -7.5523 -7.5523 -7.5481 -7.5481 -7.5455 -7.5455 4.8830 4.8830 7.9953 7.9953 8.5511 8.5511 9.7655 9.7655 10.6628 10.6628 10.9300 10.9300 11.3399 11.3399 11.3798 11.3798 11.5501 11.5501 11.6051 11.6051 11.7770 11.7770 11.8087 11.8087 12.6305 12.6305 13.2194 13.2194 14.2239 14.2239 14.8438 14.8438 15.6184 15.6184 15.7195 15.7195 k = 0.2986 0.1724 0.4876 ( 2492 PWs) bands (ev): -8.5789 -8.5789 -8.5770 -8.5770 -7.5523 -7.5523 -7.5481 -7.5481 -7.5456 -7.5456 4.8443 4.8443 7.9864 7.9864 8.6080 8.6080 9.7372 9.7372 10.6704 10.6704 10.9330 10.9330 11.3475 11.3475 11.3647 11.3647 11.5419 11.5419 11.6086 11.6086 11.7808 11.7808 11.8068 11.8068 12.6270 12.6270 13.2517 13.2517 14.3241 14.3241 14.7997 14.7997 15.5961 15.5961 15.7551 15.7551 k = 0.2917 0.1684 0.4763 ( 2496 PWs) bands (ev): -8.5790 -8.5790 -8.5770 -8.5770 -7.5523 -7.5523 -7.5481 -7.5481 -7.5458 -7.5458 4.8007 4.8007 7.9856 7.9856 8.6670 8.6670 9.7110 9.7110 10.6775 10.6775 10.9366 10.9366 11.3344 11.3344 11.3668 11.3668 11.5282 11.5282 11.6179 11.6179 11.7852 11.7852 11.8055 11.8055 12.6232 12.6232 13.2844 13.2844 14.4287 14.4287 14.7544 14.7544 15.5704 15.5704 15.7986 15.7986 k = 0.2847 0.1644 0.4649 ( 2492 PWs) bands (ev): -8.5791 -8.5791 -8.5769 -8.5769 -7.5524 -7.5524 -7.5481 -7.5481 -7.5458 -7.5458 4.7525 4.7525 7.9929 7.9929 8.7280 8.7280 9.6869 9.6869 10.6840 10.6840 10.9409 10.9409 11.3112 11.3112 11.3754 11.3754 11.5136 11.5136 11.6291 11.6291 11.7881 11.7881 11.8063 11.8063 12.6191 12.6191 13.3176 13.3176 14.5371 14.5371 14.7080 14.7080 15.5449 15.5449 15.8467 15.8467 k = 0.2778 0.1604 0.4536 ( 2491 PWs) bands (ev): -8.5792 -8.5792 -8.5769 -8.5769 -7.5524 -7.5524 -7.5482 -7.5482 -7.5459 -7.5459 4.7001 4.7001 8.0079 8.0079 8.7910 8.7910 9.6649 9.6649 10.6898 10.6898 10.9458 10.9458 11.2856 11.2856 11.3824 11.3824 11.5007 11.5007 11.6405 11.6405 11.7879 11.7879 11.8109 11.8109 12.6148 12.6148 13.3512 13.3512 14.6427 14.6427 14.6664 14.6664 15.5213 15.5213 15.8981 15.8981 k = 0.2708 0.1564 0.4423 ( 2501 PWs) bands (ev): -8.5794 -8.5794 -8.5769 -8.5769 -7.5525 -7.5525 -7.5484 -7.5484 -7.5459 -7.5459 4.6437 4.6437 8.0303 8.0303 8.8559 8.8559 9.6450 9.6450 10.6950 10.6950 10.9513 10.9513 11.2584 11.2584 11.3852 11.3852 11.4918 11.4918 11.6511 11.6511 11.7859 11.7859 11.8181 11.8181 12.6101 12.6101 13.3852 13.3852 14.6095 14.6095 14.7642 14.7642 15.5011 15.5011 15.9522 15.9522 k = 0.2639 0.1524 0.4309 ( 2497 PWs) bands (ev): -8.5795 -8.5795 -8.5770 -8.5770 -7.5525 -7.5525 -7.5487 -7.5487 -7.5460 -7.5460 4.5839 4.5839 8.0597 8.0597 8.9226 8.9226 9.6274 9.6274 10.6995 10.6995 10.9574 10.9574 11.2303 11.2303 11.3818 11.3818 11.4894 11.4894 11.6602 11.6602 11.7839 11.7839 11.8264 11.8264 12.6053 12.6053 13.4198 13.4198 14.5598 14.5598 14.8769 14.8769 15.4869 15.4869 16.0086 16.0086 k = 0.2569 0.1483 0.4196 ( 2497 PWs) bands (ev): -8.5797 -8.5797 -8.5770 -8.5770 -7.5526 -7.5526 -7.5489 -7.5489 -7.5460 -7.5460 4.5212 4.5212 8.0957 8.0957 8.9910 8.9910 9.6120 9.6120 10.7032 10.7032 10.9640 10.9640 11.2019 11.2019 11.3719 11.3719 11.4938 11.4938 11.6670 11.6670 11.7831 11.7831 11.8352 11.8352 12.6004 12.6004 13.4550 13.4550 14.5087 14.5087 14.9847 14.9847 15.4830 15.4830 16.0667 16.0667 k = 0.2500 0.1443 0.4082 ( 2493 PWs) bands (ev): -8.5798 -8.5798 -8.5771 -8.5771 -7.5527 -7.5527 -7.5492 -7.5492 -7.5460 -7.5460 4.4560 4.4560 8.1378 8.1378 9.0610 9.0610 9.5990 9.5990 10.7061 10.7061 10.9710 10.9710 11.1734 11.1734 11.3571 11.3571 11.5037 11.5037 11.6707 11.6707 11.7846 11.7846 11.8441 11.8441 12.5954 12.5954 13.4907 13.4907 14.4566 14.4566 15.0784 15.0784 15.4982 15.4982 16.1261 16.1261 k = 0.2431 0.1403 0.3969 ( 2501 PWs) bands (ev): -8.5800 -8.5800 -8.5772 -8.5772 -7.5528 -7.5528 -7.5495 -7.5495 -7.5461 -7.5461 4.3887 4.3887 8.1855 8.1855 9.1324 9.1324 9.5883 9.5883 10.7082 10.7082 10.9782 10.9782 11.1456 11.1456 11.3390 11.3390 11.5169 11.5169 11.6710 11.6710 11.7887 11.7887 11.8528 11.8528 12.5903 12.5903 13.5271 13.5271 14.4036 14.4036 15.1455 15.1455 15.5442 15.5442 16.1863 16.1863 k = 0.2361 0.1363 0.3856 ( 2497 PWs) bands (ev): -8.5802 -8.5802 -8.5773 -8.5773 -7.5529 -7.5529 -7.5498 -7.5498 -7.5462 -7.5462 4.3198 4.3198 8.2384 8.2384 9.2049 9.2049 9.5801 9.5801 10.7094 10.7094 10.9850 10.9850 11.1191 11.1191 11.3189 11.3189 11.5326 11.5326 11.6683 11.6683 11.7956 11.7956 11.8613 11.8613 12.5852 12.5852 13.5642 13.5642 14.3498 14.3498 15.1800 15.1800 15.6265 15.6265 16.2465 16.2465 k = 0.2292 0.1323 0.3742 ( 2493 PWs) bands (ev): -8.5803 -8.5803 -8.5774 -8.5774 -7.5530 -7.5530 -7.5501 -7.5501 -7.5464 -7.5464 4.2498 4.2498 8.2958 8.2958 9.2781 9.2781 9.5745 9.5745 10.7097 10.7097 10.9907 10.9907 11.0952 11.0952 11.2975 11.2975 11.5498 11.5498 11.6632 11.6632 11.8048 11.8048 11.8696 11.8696 12.5802 12.5802 13.6020 13.6020 14.2953 14.2953 15.1897 15.1897 15.7360 15.7360 16.3061 16.3061 k = 0.2222 0.1283 0.3629 ( 2491 PWs) bands (ev): -8.5805 -8.5805 -8.5775 -8.5775 -7.5532 -7.5532 -7.5503 -7.5503 -7.5465 -7.5465 4.1790 4.1790 8.3574 8.3574 9.3514 9.3514 9.5722 9.5722 10.7089 10.7089 10.9929 10.9929 11.0761 11.0761 11.2750 11.2750 11.5679 11.5679 11.6570 11.6570 11.8155 11.8155 11.8777 11.8777 12.5753 12.5753 13.6406 13.6406 14.2401 14.2401 15.1853 15.1853 15.8592 15.8592 16.3636 16.3636 k = 0.2153 0.1243 0.3515 ( 2491 PWs) bands (ev): -8.5807 -8.5807 -8.5777 -8.5777 -7.5533 -7.5533 -7.5506 -7.5506 -7.5467 -7.5467 4.1079 4.1079 8.4227 8.4227 9.4230 9.4230 9.5744 9.5744 10.7072 10.7072 10.9885 10.9885 11.0656 11.0656 11.2518 11.2518 11.5855 11.5855 11.6515 11.6515 11.8274 11.8274 11.8854 11.8854 12.5705 12.5705 13.6799 13.6799 14.1844 14.1844 15.1735 15.1735 15.9827 15.9827 16.4138 16.4138 k = 0.2083 0.1203 0.3402 ( 2501 PWs) bands (ev): -8.5809 -8.5809 -8.5779 -8.5779 -7.5535 -7.5535 -7.5510 -7.5510 -7.5470 -7.5470 4.0367 4.0367 8.4912 8.4912 9.4876 9.4876 9.5863 9.5863 10.7044 10.7044 10.9765 10.9765 11.0649 11.0649 11.2279 11.2279 11.5991 11.5991 11.6503 11.6503 11.8399 11.8399 11.8929 11.8929 12.5659 12.5659 13.7201 13.7201 14.1281 14.1281 15.1579 15.1579 16.0850 16.0850 16.4334 16.4334 k = 0.2014 0.1163 0.3289 ( 2507 PWs) bands (ev): -8.5811 -8.5811 -8.5781 -8.5781 -7.5537 -7.5537 -7.5513 -7.5513 -7.5473 -7.5473 3.9658 3.9658 8.5625 8.5625 9.5305 9.5305 9.6222 9.6222 10.7006 10.7006 10.9601 10.9601 11.0711 11.0711 11.2034 11.2034 11.6032 11.6032 11.6597 11.6597 11.8528 11.8528 11.9003 11.9003 12.5615 12.5615 13.7610 13.7610 14.0715 14.0715 15.1401 15.1401 16.1308 16.1308 16.4736 16.4736 k = 0.1944 0.1123 0.3175 ( 2507 PWs) bands (ev): -8.5813 -8.5813 -8.5784 -8.5784 -7.5538 -7.5538 -7.5516 -7.5516 -7.5476 -7.5476 3.8954 3.8954 8.6361 8.6361 9.5496 9.5496 9.6835 9.6835 10.6956 10.6956 10.9431 10.9431 11.0809 11.0809 11.1783 11.1783 11.5988 11.5988 11.6788 11.6788 11.8658 11.8658 11.9078 11.9078 12.5575 12.5575 13.8027 13.8027 14.0147 14.0147 15.1211 15.1211 16.1182 16.1182 16.5433 16.5433 k = 0.1875 0.1083 0.3062 ( 2505 PWs) bands (ev): -8.5815 -8.5815 -8.5786 -8.5786 -7.5540 -7.5540 -7.5519 -7.5519 -7.5479 -7.5479 3.8259 3.8259 8.7115 8.7115 9.5612 9.5612 9.7535 9.7535 10.6897 10.6897 10.9273 10.9273 11.0929 11.0929 11.1528 11.1528 11.5907 11.5907 11.7029 11.7029 11.8786 11.8786 11.9159 11.9159 12.5538 12.5538 13.8447 13.8447 13.9583 13.9583 15.1014 15.1014 16.0797 16.0797 16.5942 16.5942 k = 0.1806 0.1042 0.2948 ( 2505 PWs) bands (ev): -8.5817 -8.5817 -8.5789 -8.5789 -7.5542 -7.5542 -7.5522 -7.5522 -7.5483 -7.5483 3.7575 3.7575 8.7884 8.7884 9.5718 9.5718 9.8247 9.8247 10.6825 10.6825 10.9142 10.9142 11.1063 11.1063 11.1267 11.1267 11.5815 11.5815 11.7296 11.7296 11.8911 11.8911 11.9248 11.9248 12.5504 12.5504 13.8785 13.8785 13.9110 13.9110 15.0813 15.0813 16.0338 16.0338 16.6305 16.6305 k = 0.1736 0.1002 0.2835 ( 2505 PWs) bands (ev): -8.5819 -8.5819 -8.5792 -8.5792 -7.5543 -7.5543 -7.5524 -7.5524 -7.5487 -7.5487 3.6903 3.6903 8.8664 8.8664 9.5832 9.5832 9.8946 9.8946 10.6744 10.6744 10.9048 10.9048 11.1000 11.1000 11.1207 11.1207 11.5719 11.5719 11.7580 11.7580 11.9031 11.9031 11.9350 11.9350 12.5474 12.5474 13.8381 13.8381 13.9387 13.9387 15.0612 15.0612 15.9870 15.9870 16.6573 16.6573 k = 0.1667 0.0962 0.2722 ( 2511 PWs) bands (ev): -8.5821 -8.5821 -8.5795 -8.5795 -7.5545 -7.5545 -7.5527 -7.5527 -7.5491 -7.5491 3.6247 3.6247 8.9449 8.9449 9.5960 9.5960 9.9613 9.9613 10.6651 10.6651 10.9002 10.9002 11.0729 11.0729 11.1357 11.1357 11.5624 11.5624 11.7875 11.7875 11.9149 11.9149 11.9467 11.9467 12.5448 12.5448 13.7816 13.7816 13.9836 13.9836 15.0413 15.0413 15.9420 15.9420 16.6756 16.6756 k = 0.1597 0.0922 0.2608 ( 2507 PWs) bands (ev): -8.5823 -8.5823 -8.5797 -8.5797 -7.5547 -7.5547 -7.5530 -7.5530 -7.5495 -7.5495 3.5606 3.5606 9.0236 9.0236 9.6104 9.6104 10.0236 10.0236 10.6549 10.6549 10.9013 10.9013 11.0453 11.0453 11.1515 11.1515 11.5531 11.5531 11.8173 11.8173 11.9278 11.9278 11.9597 11.9597 12.5426 12.5426 13.7242 13.7242 14.0305 14.0305 15.0218 15.0218 15.8999 15.8999 16.6860 16.6860 k = 0.1528 0.0882 0.2495 ( 2507 PWs) bands (ev): -8.5824 -8.5824 -8.5801 -8.5801 -7.5549 -7.5549 -7.5533 -7.5533 -7.5499 -7.5499 3.4985 3.4985 9.1021 9.1021 9.6265 9.6265 10.0800 10.0800 10.6438 10.6438 10.9091 10.9091 11.0172 11.0172 11.1677 11.1677 11.5442 11.5442 11.8460 11.8460 11.9434 11.9434 11.9739 11.9739 12.5409 12.5409 13.6667 13.6667 14.0788 14.0788 15.0031 15.0031 15.8612 15.8612 16.6885 16.6885 k = 0.1458 0.0842 0.2381 ( 2503 PWs) bands (ev): -8.5826 -8.5826 -8.5804 -8.5804 -7.5551 -7.5551 -7.5535 -7.5535 -7.5504 -7.5504 3.4382 3.4382 9.1799 9.1799 9.6443 9.6443 10.1292 10.1292 10.6319 10.6319 10.9244 10.9244 10.9887 10.9887 11.1843 11.1843 11.5357 11.5357 11.8720 11.8720 11.9640 11.9640 11.9890 11.9890 12.5395 12.5395 13.6093 13.6093 14.1284 14.1284 14.9856 14.9856 15.8262 15.8262 16.6837 16.6837 k = 0.1389 0.0802 0.2268 ( 2511 PWs) bands (ev): -8.5828 -8.5828 -8.5807 -8.5807 -7.5553 -7.5553 -7.5538 -7.5538 -7.5509 -7.5509 3.3801 3.3801 9.2565 9.2565 9.6637 9.6637 10.1705 10.1705 10.6192 10.6192 10.9469 10.9469 10.9605 10.9605 11.2011 11.2011 11.5276 11.5276 11.8942 11.8942 11.9909 11.9909 12.0048 12.0048 12.5386 12.5386 13.5521 13.5521 14.1793 14.1793 14.9696 14.9696 15.7948 15.7948 16.6720 16.6720 k = 0.1319 0.0762 0.2155 ( 2515 PWs) bands (ev): -8.5830 -8.5830 -8.5810 -8.5810 -7.5554 -7.5554 -7.5541 -7.5541 -7.5513 -7.5513 3.3242 3.3242 9.3318 9.3318 9.6849 9.6849 10.2035 10.2035 10.6058 10.6058 10.9294 10.9294 10.9792 10.9792 11.2182 11.2182 11.5199 11.5199 11.9131 11.9131 12.0204 12.0204 12.0251 12.0251 12.5381 12.5381 13.4952 13.4952 14.2315 14.2315 14.9557 14.9557 15.7673 15.7673 16.6543 16.6543 k = 0.1250 0.0722 0.2041 ( 2521 PWs) bands (ev): -8.5832 -8.5832 -8.5814 -8.5814 -7.5556 -7.5556 -7.5543 -7.5543 -7.5518 -7.5518 3.2706 3.2706 9.4051 9.4051 9.7076 9.7076 10.2285 10.2285 10.5918 10.5918 10.8994 10.8994 11.0167 11.0167 11.2353 11.2353 11.5127 11.5127 11.9308 11.9308 12.0379 12.0379 12.0628 12.0628 12.5379 12.5379 13.4386 13.4386 14.2850 14.2850 14.9443 14.9443 15.7433 15.7433 16.6309 16.6309 k = 0.1181 0.0682 0.1928 ( 2507 PWs) bands (ev): -8.5833 -8.5833 -8.5816 -8.5816 -7.5558 -7.5558 -7.5545 -7.5545 -7.5523 -7.5523 3.2195 3.2195 9.4763 9.4763 9.7321 9.7321 10.2464 10.2464 10.5775 10.5775 10.8689 10.8689 11.0593 11.0593 11.2525 11.2525 11.5059 11.5059 11.9491 11.9491 12.0557 12.0557 12.1043 12.1043 12.5384 12.5384 13.3826 13.3826 14.3398 14.3398 14.9361 14.9361 15.7228 15.7228 16.6027 16.6027 k = 0.1111 0.0642 0.1814 ( 2507 PWs) bands (ev): -8.5835 -8.5835 -8.5820 -8.5820 -7.5560 -7.5560 -7.5548 -7.5548 -7.5527 -7.5527 3.1708 3.1708 9.5447 9.5447 9.7582 9.7582 10.2582 10.2582 10.5627 10.5627 10.8378 10.8378 11.1049 11.1049 11.2695 11.2695 11.4995 11.4995 11.9695 11.9695 12.0740 12.0740 12.1481 12.1481 12.5393 12.5393 13.3272 13.3272 14.3960 14.3960 14.9315 14.9315 15.7056 15.7056 16.5700 16.5700 k = 0.1042 0.0601 0.1701 ( 2507 PWs) bands (ev): -8.5836 -8.5836 -8.5823 -8.5823 -7.5561 -7.5561 -7.5550 -7.5550 -7.5532 -7.5532 3.1248 3.1248 9.6101 9.6101 9.7861 9.7861 10.2653 10.2653 10.5476 10.5476 10.8062 10.8062 11.1513 11.1513 11.2863 11.2863 11.4936 11.4936 11.9930 11.9930 12.0929 12.0929 12.1932 12.1932 12.5405 12.5405 13.2723 13.2723 14.4534 14.4534 14.9312 14.9312 15.6916 15.6916 16.5336 16.5336 k = 0.0972 0.0561 0.1588 ( 2513 PWs) bands (ev): -8.5838 -8.5838 -8.5826 -8.5826 -7.5563 -7.5563 -7.5552 -7.5552 -7.5537 -7.5537 3.0814 3.0814 9.6720 9.6720 9.8158 9.8158 10.2686 10.2686 10.5323 10.5323 10.7741 10.7741 11.1965 11.1965 11.3028 11.3028 11.4882 11.4882 12.0202 12.0202 12.1126 12.1126 12.2390 12.2390 12.5424 12.5424 13.2181 13.2181 14.5122 14.5122 14.9357 14.9357 15.6807 15.6807 16.4937 16.4937 k = 0.0903 0.0521 0.1474 ( 2517 PWs) bands (ev): -8.5839 -8.5839 -8.5829 -8.5829 -7.5564 -7.5564 -7.5554 -7.5554 -7.5541 -7.5541 3.0408 3.0408 9.7299 9.7299 9.8475 9.8475 10.2694 10.2694 10.5169 10.5169 10.7415 10.7415 11.2388 11.2388 11.3190 11.3190 11.4832 11.4832 12.0516 12.0516 12.1332 12.1332 12.2847 12.2847 12.5448 12.5448 13.1648 13.1648 14.5722 14.5722 14.9454 14.9454 15.6727 15.6727 16.4510 16.4510 k = 0.0833 0.0481 0.1361 ( 2517 PWs) bands (ev): -8.5841 -8.5841 -8.5832 -8.5832 -7.5566 -7.5566 -7.5556 -7.5556 -7.5545 -7.5545 3.0029 3.0029 9.7834 9.7834 9.8815 9.8815 10.2684 10.2684 10.5013 10.5013 10.7086 10.7086 11.2767 11.2767 11.3348 11.3348 11.4788 11.4788 12.0873 12.0873 12.1545 12.1545 12.3298 12.3298 12.5481 12.5481 13.1124 13.1124 14.6334 14.6334 14.9606 14.9606 15.6677 15.6677 16.4058 16.4058 k = 0.0764 0.0441 0.1247 ( 2503 PWs) bands (ev): -8.5842 -8.5842 -8.5834 -8.5834 -7.5567 -7.5567 -7.5558 -7.5558 -7.5548 -7.5548 2.9679 2.9679 9.8322 9.8322 9.9178 9.9178 10.2662 10.2662 10.4858 10.4858 10.6753 10.6753 11.3092 11.3092 11.3502 11.3502 11.4751 11.4751 12.1266 12.1266 12.1769 12.1769 12.3736 12.3736 12.5523 12.5523 13.0610 13.0610 14.6957 14.6957 14.9816 14.9816 15.6659 15.6659 16.3587 16.3587 k = 0.0694 0.0401 0.1134 ( 2503 PWs) bands (ev): -8.5843 -8.5843 -8.5836 -8.5836 -7.5568 -7.5568 -7.5560 -7.5560 -7.5551 -7.5551 2.9358 2.9358 9.8764 9.8764 9.9560 9.9560 10.2633 10.2633 10.4701 10.4701 10.6415 10.6415 11.3357 11.3357 11.3654 11.3654 11.4721 11.4721 12.1684 12.1684 12.2003 12.2003 12.4152 12.4152 12.5577 12.5577 13.0108 13.0108 14.7589 14.7589 15.0081 15.0081 15.6674 15.6674 16.3102 16.3102 k = 0.0625 0.0361 0.1021 ( 2509 PWs) bands (ev): -8.5844 -8.5844 -8.5839 -8.5839 -7.5569 -7.5569 -7.5562 -7.5562 -7.5554 -7.5554 2.9066 2.9066 9.9169 9.9169 9.9952 9.9952 10.2601 10.2601 10.4543 10.4543 10.6075 10.6075 11.3562 11.3562 11.3800 11.3800 11.4701 11.4701 12.2107 12.2107 12.2253 12.2253 12.4539 12.4539 12.5648 12.5648 12.9618 12.9618 14.8229 14.8229 15.0397 15.0397 15.6725 15.6725 16.2611 16.2611 k = 0.0556 0.0321 0.0907 ( 2509 PWs) bands (ev): -8.5845 -8.5845 -8.5841 -8.5841 -7.5570 -7.5570 -7.5564 -7.5564 -7.5557 -7.5557 2.8804 2.8804 9.9546 9.9546 10.0341 10.0341 10.2570 10.2570 10.4385 10.4385 10.5732 10.5732 11.3718 11.3718 11.3931 11.3931 11.4693 11.4693 12.2460 12.2460 12.2576 12.2576 12.4891 12.4891 12.5739 12.5739 12.9143 12.9143 14.8874 14.8874 15.0756 15.0756 15.6817 15.6817 16.2123 16.2123 k = 0.0486 0.0281 0.0794 ( 2497 PWs) bands (ev): -8.5846 -8.5846 -8.5842 -8.5842 -7.5571 -7.5571 -7.5566 -7.5566 -7.5559 -7.5559 2.8572 2.8572 9.9902 9.9902 10.0720 10.0720 10.2544 10.2544 10.4226 10.4226 10.5387 10.5387 11.3841 11.3841 11.4034 11.4034 11.4700 11.4700 12.2731 12.2731 12.2964 12.2964 12.5202 12.5202 12.5857 12.5857 12.8685 12.8685 14.9522 14.9522 15.1142 15.1142 15.6953 15.6953 16.1654 16.1654 k = 0.0417 0.0241 0.0680 ( 2497 PWs) bands (ev): -8.5846 -8.5846 -8.5844 -8.5844 -7.5572 -7.5572 -7.5568 -7.5568 -7.5560 -7.5560 2.8370 2.8370 10.0242 10.0242 10.1080 10.1080 10.2525 10.2525 10.4066 10.4066 10.5042 10.5042 11.3940 11.3940 11.4105 11.4105 11.4720 11.4720 12.2997 12.2997 12.3319 12.3319 12.5470 12.5470 12.5997 12.5997 12.8248 12.8248 15.0167 15.0167 15.1534 15.1534 15.7131 15.7131 16.1225 16.1225 k = 0.0347 0.0200 0.0567 ( 2489 PWs) bands (ev): -8.5847 -8.5847 -8.5845 -8.5845 -7.5572 -7.5572 -7.5570 -7.5570 -7.5561 -7.5561 2.8199 2.8199 10.0563 10.0563 10.1420 10.1420 10.2517 10.2517 10.3905 10.3905 10.4697 10.4697 11.4020 11.4020 11.4149 11.4149 11.4749 11.4749 12.3265 12.3265 12.3618 12.3618 12.5701 12.5701 12.6149 12.6149 12.7838 12.7838 15.0800 15.0800 15.1909 15.1909 15.7333 15.7333 16.0880 16.0880 k = 0.0278 0.0160 0.0454 ( 2489 PWs) bands (ev): -8.5847 -8.5847 -8.5847 -8.5847 -7.5573 -7.5573 -7.5571 -7.5571 -7.5562 -7.5562 2.8059 2.8059 10.0858 10.0858 10.1739 10.1739 10.2527 10.2527 10.3743 10.3743 10.4355 10.4355 11.4083 11.4083 11.4172 11.4172 11.4782 11.4782 12.3528 12.3528 12.3851 12.3851 12.5900 12.5900 12.6290 12.6290 12.7467 12.7467 15.1407 15.1407 15.2242 15.2242 15.7509 15.7509 16.0689 16.0689 k = 0.0208 0.0120 0.0340 ( 2471 PWs) bands (ev): -8.5848 -8.5848 -8.5847 -8.5847 -7.5573 -7.5573 -7.5572 -7.5572 -7.5562 -7.5562 2.7950 2.7950 10.1115 10.1115 10.2040 10.2040 10.2560 10.2560 10.3583 10.3583 10.4019 10.4019 11.4131 11.4131 11.4184 11.4184 11.4811 11.4811 12.3780 12.3780 12.4021 12.4021 12.6070 12.6070 12.6390 12.6390 12.7158 12.7158 15.1963 15.1963 15.2514 15.2514 15.7585 15.7585 16.0748 16.0748 k = 0.0139 0.0080 0.0227 ( 2457 PWs) bands (ev): -8.5848 -8.5848 -8.5848 -8.5848 -7.5573 -7.5573 -7.5573 -7.5573 -7.5563 -7.5563 2.7872 2.7872 10.1315 10.1315 10.2324 10.2324 10.2618 10.2618 10.3430 10.3430 10.3695 10.3695 11.4164 11.4164 11.4189 11.4189 11.4834 11.4834 12.4001 12.4001 12.4134 12.4134 12.6200 12.6200 12.6409 12.6409 12.6957 12.6957 15.2431 15.2431 15.2712 15.2712 15.7534 15.7534 16.1090 16.1090 k = 0.0069 0.0040 0.0113 ( 2445 PWs) bands (ev): -8.5848 -8.5848 -8.5848 -8.5848 -7.5573 -7.5573 -7.5573 -7.5573 -7.5563 -7.5563 2.7825 2.7825 10.1441 10.1441 10.2584 10.2584 10.2691 10.2691 10.3304 10.3304 10.3404 10.3404 11.4184 11.4184 11.4191 11.4191 11.4849 11.4849 12.4160 12.4160 12.4198 12.4198 12.6283 12.6283 12.6350 12.6350 12.6884 12.6884 15.2754 15.2754 15.2831 15.2831 15.7430 15.7430 16.1599 16.1599 k = 0.0000 0.0000 0.0000 ( 2445 PWs) bands (ev): -8.5848 -8.5848 -8.5848 -8.5848 -7.5573 -7.5573 -7.5573 -7.5573 -7.5563 -7.5563 2.7809 2.7809 10.1483 10.1483 10.2728 10.2728 10.2728 10.2728 10.3249 10.3249 10.3249 10.3249 11.4191 11.4191 11.4191 11.4191 11.4854 11.4854 12.4219 12.4219 12.4219 12.4219 12.6311 12.6311 12.6311 12.6311 12.6873 12.6873 15.2871 15.2871 15.2871 15.2871 15.7379 15.7379 16.1900 16.1900 k = 0.0000 0.0000 0.0000 ( 2445 PWs) bands (ev): -8.5848 -8.5848 -8.5848 -8.5848 -7.5573 -7.5573 -7.5573 -7.5573 -7.5563 -7.5563 2.7809 2.7809 10.1483 10.1483 10.2728 10.2728 10.2728 10.2728 10.3249 10.3249 10.3249 10.3249 11.4191 11.4191 11.4191 11.4191 11.4854 11.4854 12.4219 12.4219 12.4219 12.4219 12.6311 12.6311 12.6311 12.6311 12.6873 12.6873 15.2871 15.2871 15.2871 15.2871 15.7379 15.7379 16.1900 16.1900 k = 0.0114 0.0066 0.0046 ( 2445 PWs) bands (ev): -8.5848 -8.5848 -8.5848 -8.5848 -7.5573 -7.5573 -7.5573 -7.5573 -7.5563 -7.5563 2.7825 2.7825 10.1441 10.1441 10.2599 10.2599 10.2669 10.2669 10.3333 10.3333 10.3381 10.3381 11.4187 11.4187 11.4188 11.4188 11.4849 11.4849 12.4176 12.4176 12.4181 12.4181 12.6278 12.6278 12.6356 12.6356 12.6884 12.6884 15.2775 15.2775 15.2809 15.2809 15.7429 15.7429 16.1590 16.1590 k = 0.0227 0.0131 0.0093 ( 2454 PWs) bands (ev): -8.5848 -8.5848 -8.5848 -8.5848 -7.5573 -7.5573 -7.5573 -7.5573 -7.5563 -7.5563 2.7872 2.7872 10.1323 10.1323 10.2356 10.2356 10.2542 10.2542 10.3526 10.3526 10.3634 10.3634 11.4174 11.4174 11.4180 11.4180 11.4834 11.4834 12.4058 12.4058 12.4075 12.4075 12.6148 12.6148 12.6479 12.6479 12.6942 12.6942 15.2513 15.2513 15.2632 15.2632 15.7513 15.7513 16.1083 16.1083 k = 0.0341 0.0197 0.0139 ( 2472 PWs) bands (ev): -8.5847 -8.5847 -8.5847 -8.5847 -7.5573 -7.5573 -7.5572 -7.5572 -7.5562 -7.5562 2.7951 2.7951 10.1148 10.1148 10.2091 10.2091 10.2392 10.2392 10.3767 10.3767 10.3915 10.3915 11.4153 11.4153 11.4165 11.4165 11.4808 11.4808 12.3884 12.3884 12.3913 12.3913 12.5891 12.5891 12.6661 12.6661 12.7068 12.7068 15.2136 15.2136 15.2358 15.2358 15.7474 15.7474 16.0814 16.0814 k = 0.0455 0.0262 0.0186 ( 2484 PWs) bands (ev): -8.5847 -8.5847 -8.5847 -8.5847 -7.5573 -7.5573 -7.5571 -7.5571 -7.5562 -7.5562 2.8060 2.8060 10.0935 10.0935 10.1823 10.1823 10.2222 10.2222 10.4034 10.4034 10.4207 10.4207 11.4124 11.4124 11.4142 11.4142 11.4770 11.4770 12.3676 12.3676 12.3715 12.3715 12.5513 12.5513 12.6882 12.6882 12.7250 12.7250 15.1694 15.1694 15.2012 15.2012 15.7200 15.7200 16.0938 16.0938 k = 0.0568 0.0328 0.0232 ( 2499 PWs) bands (ev): -8.5847 -8.5847 -8.5846 -8.5846 -7.5573 -7.5573 -7.5570 -7.5570 -7.5561 -7.5561 2.8201 2.8201 10.0696 10.0696 10.1555 10.1555 10.2025 10.2025 10.4315 10.4315 10.4504 10.4504 11.4086 11.4086 11.4110 11.4110 11.4720 11.4720 12.3447 12.3447 12.3492 12.3492 12.5039 12.5039 12.7126 12.7126 12.7466 12.7466 15.1223 15.1223 15.1616 15.1616 15.6750 15.6750 16.1389 16.1389 k = 0.0682 0.0394 0.0278 ( 2511 PWs) bands (ev): -8.5846 -8.5846 -8.5845 -8.5845 -7.5572 -7.5572 -7.5568 -7.5568 -7.5561 -7.5561 2.8373 2.8373 10.0443 10.0443 10.1290 10.1290 10.1799 10.1799 10.4606 10.4606 10.4803 10.4803 11.4041 11.4041 11.4065 11.4065 11.4655 11.4655 12.3207 12.3207 12.3253 12.3253 12.4489 12.4489 12.7386 12.7386 12.7702 12.7702 15.0743 15.0743 15.1192 15.1192 15.6236 15.6236 16.2042 16.2042 k = 0.0795 0.0459 0.0325 ( 2511 PWs) bands (ev): -8.5845 -8.5845 -8.5843 -8.5843 -7.5571 -7.5571 -7.5566 -7.5566 -7.5559 -7.5559 2.8575 2.8575 10.0178 10.0178 10.1030 10.1030 10.1539 10.1539 10.4903 10.4903 10.5104 10.5104 11.3989 11.3989 11.4004 11.4004 11.4575 11.4575 12.2961 12.2961 12.3004 12.3004 12.3887 12.3887 12.7655 12.7655 12.7952 12.7952 15.0269 15.0269 15.0754 15.0754 15.5727 15.5727 16.2815 16.2815 k = 0.0909 0.0525 0.0371 ( 2508 PWs) bands (ev): -8.5844 -8.5844 -8.5842 -8.5842 -7.5570 -7.5570 -7.5563 -7.5563 -7.5558 -7.5558 2.8809 2.8809 9.9904 9.9904 10.0775 10.0775 10.1246 10.1246 10.5203 10.5203 10.5406 10.5406 11.3920 11.3920 11.3931 11.3931 11.4482 11.4482 12.2713 12.2713 12.2744 12.2744 12.3259 12.3259 12.7929 12.7929 12.8209 12.8209 14.9810 14.9810 15.0315 15.0315 15.5252 15.5252 16.3665 16.3665 k = 0.1023 0.0590 0.0418 ( 2508 PWs) bands (ev): -8.5843 -8.5843 -8.5840 -8.5840 -7.5569 -7.5569 -7.5560 -7.5560 -7.5556 -7.5556 2.9072 2.9072 9.9620 9.9620 10.0525 10.0525 10.0918 10.0918 10.5505 10.5505 10.5707 10.5707 11.3804 11.3804 11.3866 11.3866 11.4377 11.4377 12.2434 12.2434 12.2465 12.2465 12.2669 12.2669 12.8204 12.8204 12.8468 12.8468 14.9371 14.9371 14.9884 14.9884 15.4820 15.4820 16.4572 16.4572 k = 0.1136 0.0656 0.0464 ( 2508 PWs) bands (ev): -8.5841 -8.5841 -8.5838 -8.5838 -7.5568 -7.5568 -7.5556 -7.5556 -7.5555 -7.5555 2.9365 2.9365 9.9319 9.9319 10.0280 10.0280 10.0560 10.0560 10.5806 10.5806 10.6006 10.6006 11.3643 11.3643 11.3796 11.3796 11.4269 11.4269 12.1916 12.1916 12.2219 12.2219 12.2303 12.2303 12.8479 12.8479 12.8728 12.8728 14.8958 14.8958 14.9468 14.9468 15.4435 15.4435 16.5522 16.5522 k = 0.1250 0.0722 0.0510 ( 2508 PWs) bands (ev): -8.5840 -8.5840 -8.5835 -8.5835 -7.5567 -7.5567 -7.5553 -7.5553 -7.5553 -7.5553 2.9689 2.9689 9.8992 9.8992 10.0041 10.0041 10.0178 10.0178 10.6105 10.6105 10.6302 10.6302 11.3426 11.3426 11.3722 11.3722 11.4164 11.4164 12.1336 12.1336 12.1976 12.1976 12.2037 12.2037 12.8751 12.8751 12.8984 12.8984 14.8573 14.8573 14.9074 14.9074 15.4095 15.4095 16.6507 16.6507 k = 0.1364 0.0787 0.0557 ( 2508 PWs) bands (ev): -8.5838 -8.5838 -8.5833 -8.5833 -7.5566 -7.5566 -7.5551 -7.5551 -7.5549 -7.5549 3.0041 3.0041 9.8620 9.8620 9.9788 9.9788 9.9807 9.9807 10.6401 10.6401 10.6595 10.6595 11.3148 11.3148 11.3644 11.3644 11.4068 11.4068 12.0797 12.0797 12.1736 12.1736 12.1786 12.1786 12.9017 12.9017 12.9236 12.9236 14.8219 14.8219 14.8705 14.8705 15.3795 15.3795 16.7520 16.7520 k = 0.1477 0.0853 0.0603 ( 2505 PWs) bands (ev): -8.5837 -8.5837 -8.5831 -8.5831 -7.5564 -7.5564 -7.5548 -7.5548 -7.5545 -7.5545 3.0422 3.0422 9.8180 9.8180 9.9410 9.9410 9.9580 9.9580 10.6691 10.6691 10.6884 10.6884 11.2815 11.2815 11.3564 11.3564 11.3979 11.3979 12.0321 12.0321 12.1501 12.1501 12.1542 12.1542 12.9278 12.9278 12.9482 12.9482 14.7899 14.7899 14.8366 14.8366 15.3532 15.3532 16.8558 16.8558 k = 0.1591 0.0919 0.0649 ( 2511 PWs) bands (ev): -8.5835 -8.5835 -8.5828 -8.5828 -7.5563 -7.5563 -7.5546 -7.5546 -7.5541 -7.5541 3.0832 3.0832 9.7650 9.7650 9.9063 9.9063 9.9358 9.9358 10.6974 10.6974 10.7167 10.7167 11.2436 11.2436 11.3482 11.3482 11.3896 11.3896 11.9911 11.9911 12.1270 12.1270 12.1304 12.1304 12.9530 12.9530 12.9720 12.9720 14.7615 14.7615 14.8060 14.8060 15.3302 15.3302 16.9617 16.9617 k = 0.1705 0.0984 0.0696 ( 2517 PWs) bands (ev): -8.5833 -8.5833 -8.5825 -8.5825 -7.5562 -7.5562 -7.5544 -7.5544 -7.5536 -7.5536 3.1269 3.1269 9.7022 9.7022 9.8753 9.8753 9.9142 9.9142 10.7249 10.7249 10.7443 10.7443 11.2030 11.2030 11.3399 11.3399 11.3820 11.3820 11.9566 11.9566 12.1044 12.1044 12.1073 12.1073 12.9772 12.9772 12.9948 12.9948 14.7369 14.7369 14.7791 14.7791 15.3099 15.3099 17.0694 17.0694 k = 0.1818 0.1050 0.0742 ( 2517 PWs) bands (ev): -8.5831 -8.5831 -8.5822 -8.5822 -7.5560 -7.5560 -7.5541 -7.5541 -7.5532 -7.5532 3.1734 3.1734 9.6299 9.6299 9.8474 9.8474 9.8933 9.8933 10.7514 10.7514 10.7711 10.7711 11.1612 11.1612 11.3318 11.3318 11.3750 11.3750 11.9282 11.9282 12.0824 12.0824 12.0848 12.0848 13.0003 13.0003 13.0165 13.0165 14.7163 14.7163 14.7560 14.7560 15.2920 15.2920 17.1785 17.1785 k = 0.1932 0.1115 0.0789 ( 2517 PWs) bands (ev): -8.5829 -8.5829 -8.5819 -8.5819 -7.5559 -7.5559 -7.5538 -7.5538 -7.5527 -7.5527 3.2226 3.2226 9.5491 9.5491 9.8220 9.8220 9.8730 9.8730 10.7767 10.7767 10.7970 10.7970 11.1200 11.1200 11.3240 11.3240 11.3686 11.3686 11.9048 11.9048 12.0609 12.0609 12.0631 12.0631 13.0221 13.0221 13.0371 13.0371 14.6998 14.6998 14.7371 14.7371 15.2762 15.2762 17.2887 17.2887 k = 0.2045 0.1181 0.0835 ( 2520 PWs) bands (ev): -8.5827 -8.5827 -8.5816 -8.5816 -7.5557 -7.5557 -7.5536 -7.5536 -7.5522 -7.5522 3.2743 3.2743 9.4605 9.4605 9.7983 9.7983 9.8533 9.8533 10.8006 10.8006 10.8219 10.8219 11.0809 11.0809 11.3166 11.3166 11.3631 11.3631 11.8853 11.8853 12.0399 12.0399 12.0422 12.0422 13.0425 13.0425 13.0563 13.0563 14.6876 14.6876 14.7225 14.7225 15.2621 15.2621 17.3995 17.3995 k = 0.2159 0.1247 0.0881 ( 2514 PWs) bands (ev): -8.5825 -8.5825 -8.5813 -8.5813 -7.5556 -7.5556 -7.5533 -7.5533 -7.5517 -7.5517 3.3285 3.3285 9.3651 9.3651 9.7760 9.7760 9.8342 9.8342 10.8229 10.8229 10.8456 10.8456 11.0451 11.0451 11.3097 11.3097 11.3585 11.3585 11.8688 11.8688 12.0195 12.0195 12.0222 12.0222 13.0614 13.0614 13.0742 13.0742 14.6797 14.6797 14.7124 14.7124 15.2496 15.2496 17.5103 17.5103 k = 0.2273 0.1312 0.0928 ( 2514 PWs) bands (ev): -8.5823 -8.5823 -8.5810 -8.5810 -7.5554 -7.5554 -7.5530 -7.5530 -7.5512 -7.5512 3.3852 3.3852 9.2635 9.2635 9.7549 9.7549 9.8158 9.8158 10.8432 10.8432 10.8680 10.8680 11.0134 11.0134 11.3036 11.3036 11.3551 11.3551 11.8545 11.8545 11.9996 11.9996 12.0031 12.0031 13.0785 13.0785 13.0905 13.0905 14.6763 14.6763 14.7068 14.7068 15.2383 15.2383 17.6167 17.6167 k = 0.2386 0.1378 0.0974 ( 2511 PWs) bands (ev): -8.5821 -8.5821 -8.5806 -8.5806 -7.5553 -7.5553 -7.5527 -7.5527 -7.5506 -7.5506 3.4442 3.4442 9.1567 9.1567 9.7348 9.7348 9.7980 9.7980 10.8610 10.8610 10.8889 10.8889 10.9867 10.9867 11.2984 11.2984 11.3528 11.3528 11.8416 11.8416 11.9802 11.9802 11.9851 11.9851 13.0940 13.0940 13.1053 13.1053 14.6773 14.6773 14.7060 14.7060 15.2282 15.2282 17.5999 17.5999 k = 0.2500 0.1443 0.1021 ( 2502 PWs) bands (ev): -8.5819 -8.5819 -8.5803 -8.5803 -7.5551 -7.5551 -7.5523 -7.5523 -7.5501 -7.5501 3.5054 3.5054 9.0455 9.0455 9.7156 9.7156 9.7809 9.7809 10.8756 10.8756 10.9082 10.9082 10.9659 10.9659 11.2942 11.2942 11.3518 11.3518 11.8297 11.8297 11.9614 11.9614 11.9681 11.9681 13.1077 13.1077 13.1185 13.1185 14.6828 14.6828 14.7098 14.7098 15.2191 15.2191 17.4498 17.4498 k = 0.2614 0.1509 0.1067 ( 2502 PWs) bands (ev): -8.5817 -8.5817 -8.5800 -8.5800 -7.5549 -7.5549 -7.5520 -7.5520 -7.5496 -7.5496 3.5688 3.5688 8.9306 8.9306 9.6973 9.6973 9.7645 9.7645 10.8852 10.8852 10.9257 10.9257 10.9525 10.9525 11.2912 11.2912 11.3522 11.3522 11.8181 11.8181 11.9431 11.9431 11.9523 11.9523 13.1195 13.1195 13.1301 13.1301 14.6927 14.6927 14.7184 14.7184 15.2108 15.2108 17.2954 17.2954 k = 0.2727 0.1575 0.1113 ( 2496 PWs) bands (ev): -8.5814 -8.5814 -8.5796 -8.5796 -7.5548 -7.5548 -7.5517 -7.5517 -7.5490 -7.5490 3.6341 3.6341 8.8131 8.8131 9.6798 9.6798 9.7487 9.7487 10.8884 10.8884 10.9413 10.9413 10.9479 10.9479 11.2896 11.2896 11.3539 11.3539 11.8065 11.8065 11.9254 11.9254 11.9377 11.9377 13.1297 13.1297 13.1403 13.1403 14.7069 14.7069 14.7315 14.7315 15.2033 15.2033 17.1423 17.1423 k = 0.2841 0.1640 0.1160 ( 2496 PWs) bands (ev): -8.5812 -8.5812 -8.5793 -8.5793 -7.5546 -7.5546 -7.5515 -7.5515 -7.5485 -7.5485 3.7012 3.7012 8.6936 8.6936 9.6631 9.6631 9.7335 9.7335 10.8864 10.8864 10.9508 10.9508 10.9550 10.9550 11.2893 11.2893 11.3570 11.3570 11.7947 11.7947 11.9083 11.9083 11.9242 11.9242 13.1382 13.1382 13.1489 13.1489 14.7252 14.7252 14.7491 14.7491 15.1964 15.1964 16.9920 16.9920 k = 0.2955 0.1706 0.1206 ( 2491 PWs) bands (ev): -8.5810 -8.5810 -8.5790 -8.5790 -7.5545 -7.5545 -7.5512 -7.5512 -7.5480 -7.5480 3.7699 3.7699 8.5728 8.5728 9.6472 9.6472 9.7191 9.7191 10.8829 10.8829 10.9571 10.9571 10.9668 10.9668 11.2903 11.2903 11.3613 11.3613 11.7826 11.7826 11.8918 11.8918 11.9118 11.9118 13.1450 13.1450 13.1561 13.1561 14.7475 14.7475 14.7709 14.7709 15.1902 15.1902 16.8453 16.8453 k = 0.3068 0.1771 0.1253 ( 2491 PWs) bands (ev): -8.5808 -8.5808 -8.5787 -8.5787 -7.5543 -7.5543 -7.5509 -7.5509 -7.5475 -7.5475 3.8401 3.8401 8.4515 8.4515 9.6321 9.6321 9.7053 9.7053 10.8804 10.8804 10.9645 10.9645 10.9768 10.9768 11.2927 11.2927 11.3667 11.3667 11.7703 11.7703 11.8758 11.8758 11.9004 11.9004 13.1504 13.1504 13.1621 13.1621 14.7735 14.7735 14.7968 14.7968 15.1845 15.1845 16.7031 16.7031 k = 0.3182 0.1837 0.1299 ( 2473 PWs) bands (ev): -8.5806 -8.5806 -8.5783 -8.5783 -7.5542 -7.5542 -7.5506 -7.5506 -7.5470 -7.5470 3.9116 3.9116 8.3303 8.3303 9.6177 9.6177 9.6923 9.6923 10.8797 10.8797 10.9719 10.9719 10.9850 10.9850 11.2963 11.2963 11.3729 11.3729 11.7579 11.7579 11.8605 11.8605 11.8899 11.8899 13.1544 13.1544 13.1668 13.1668 14.8029 14.8029 14.8263 14.8263 15.1794 15.1794 16.5657 16.5657 k = 0.3295 0.1903 0.1345 ( 2473 PWs) bands (ev): -8.5804 -8.5804 -8.5781 -8.5781 -7.5540 -7.5540 -7.5503 -7.5503 -7.5465 -7.5465 3.9840 3.9840 8.2098 8.2098 9.6042 9.6042 9.6799 9.6799 10.8808 10.8808 10.9791 10.9791 10.9915 10.9915 11.3009 11.3009 11.3797 11.3797 11.7452 11.7452 11.8458 11.8458 11.8799 11.8799 13.1572 13.1572 13.1705 13.1705 14.8354 14.8354 14.8592 14.8592 15.1748 15.1748 16.4337 16.4337 k = 0.3409 0.1968 0.1392 ( 2473 PWs) bands (ev): -8.5802 -8.5802 -8.5778 -8.5778 -7.5539 -7.5539 -7.5500 -7.5500 -7.5461 -7.5461 4.0571 4.0571 8.0907 8.0907 9.5915 9.5915 9.6683 9.6683 10.8837 10.8837 10.9860 10.9860 10.9967 10.9967 11.3064 11.3064 11.3869 11.3869 11.7326 11.7326 11.8318 11.8318 11.8705 11.8705 13.1590 13.1590 13.1732 13.1732 14.8706 14.8706 14.8949 14.8949 15.1707 15.1707 16.3076 16.3076 k = 0.3523 0.2034 0.1438 ( 2473 PWs) bands (ev): -8.5800 -8.5800 -8.5775 -8.5775 -7.5538 -7.5538 -7.5498 -7.5498 -7.5457 -7.5457 4.1305 4.1305 7.9736 7.9736 9.5795 9.5795 9.6574 9.6574 10.8880 10.8880 10.9930 10.9930 11.0006 11.0006 11.3124 11.3124 11.3943 11.3943 11.7202 11.7202 11.8186 11.8186 11.8615 11.8615 13.1599 13.1599 13.1752 13.1752 14.9080 14.9080 14.9332 14.9332 15.1673 15.1673 16.1878 16.1878 k = 0.3636 0.2099 0.1485 ( 2482 PWs) bands (ev): -8.5799 -8.5799 -8.5773 -8.5773 -7.5536 -7.5536 -7.5496 -7.5496 -7.5453 -7.5453 4.2039 4.2039 7.8592 7.8592 9.5684 9.5684 9.6472 9.6472 10.8933 10.8933 11.0002 11.0002 11.0035 11.0035 11.3188 11.3188 11.4015 11.4015 11.7081 11.7081 11.8061 11.8061 11.8528 11.8528 13.1601 13.1601 13.1764 13.1764 14.9471 14.9471 14.9734 14.9734 15.1644 15.1644 16.0747 16.0747 k = 0.3750 0.2165 0.1531 ( 2482 PWs) bands (ev): -8.5797 -8.5797 -8.5770 -8.5770 -7.5535 -7.5535 -7.5493 -7.5493 -7.5449 -7.5449 4.2767 4.2767 7.7480 7.7480 9.5581 9.5581 9.6378 9.6378 10.8992 10.8992 11.0056 11.0056 11.0080 11.0080 11.3253 11.3253 11.4085 11.4085 11.6965 11.6965 11.7944 11.7944 11.8443 11.8443 13.1597 13.1597 13.1771 13.1771 14.9874 14.9874 15.0149 15.0149 15.1623 15.1623 15.9686 15.9686 k = 0.3864 0.2231 0.1577 ( 2476 PWs) bands (ev): -8.5796 -8.5796 -8.5768 -8.5768 -7.5534 -7.5534 -7.5491 -7.5491 -7.5445 -7.5445 4.3483 4.3483 7.6409 7.6409 9.5487 9.5487 9.6292 9.6292 10.9051 10.9051 11.0072 11.0072 11.0164 11.0164 11.3318 11.3318 11.4149 11.4149 11.6856 11.6856 11.7837 11.7837 11.8361 11.8361 13.1589 13.1589 13.1774 13.1774 15.0279 15.0279 15.0573 15.0573 15.1611 15.1611 15.8699 15.8699 k = 0.3977 0.2296 0.1624 ( 2479 PWs) bands (ev): -8.5794 -8.5794 -8.5766 -8.5766 -7.5533 -7.5533 -7.5489 -7.5489 -7.5442 -7.5442 4.4182 4.4182 7.5386 7.5386 9.5401 9.5401 9.6213 9.6213 10.9108 10.9108 11.0082 11.0082 11.0256 11.0256 11.3380 11.3380 11.4207 11.4207 11.6754 11.6754 11.7738 11.7738 11.8281 11.8281 13.1578 13.1578 13.1773 13.1773 15.0675 15.0675 15.0997 15.0997 15.1616 15.1616 15.7790 15.7790 k = 0.4091 0.2362 0.1670 ( 2479 PWs) bands (ev): -8.5793 -8.5793 -8.5764 -8.5764 -7.5533 -7.5533 -7.5488 -7.5488 -7.5439 -7.5439 4.4854 4.4854 7.4421 7.4421 9.5324 9.5324 9.6142 9.6142 10.9161 10.9161 11.0089 11.0089 11.0355 11.0355 11.3439 11.3439 11.4257 11.4257 11.6660 11.6660 11.7648 11.7648 11.8205 11.8205 13.1565 13.1565 13.1769 13.1769 15.1037 15.1037 15.1414 15.1414 15.1654 15.1654 15.6961 15.6961 k = 0.4205 0.2427 0.1716 ( 2485 PWs) bands (ev): -8.5792 -8.5792 -8.5763 -8.5763 -7.5532 -7.5532 -7.5486 -7.5486 -7.5436 -7.5436 4.5491 4.5491 7.3524 7.3524 9.5256 9.5256 9.6080 9.6080 10.9206 10.9206 11.0094 11.0094 11.0459 11.0459 11.3493 11.3493 11.4299 11.4299 11.6575 11.6575 11.7568 11.7568 11.8132 11.8132 13.1551 13.1551 13.1765 13.1765 15.1299 15.1299 15.1783 15.1783 15.1815 15.1815 15.6215 15.6215 k = 0.4318 0.2493 0.1763 ( 2482 PWs) bands (ev): -8.5791 -8.5791 -8.5761 -8.5761 -7.5531 -7.5531 -7.5485 -7.5485 -7.5434 -7.5434 4.6082 4.6082 7.2706 7.2706 9.5196 9.5196 9.6025 9.6025 10.9245 10.9245 11.0097 11.0097 11.0564 11.0564 11.3541 11.3541 11.4333 11.4333 11.6501 11.6501 11.7499 11.7499 11.8065 11.8065 13.1538 13.1538 13.1759 13.1759 15.1419 15.1419 15.2039 15.2039 15.2192 15.2192 15.5555 15.5555 k = 0.4432 0.2559 0.1809 ( 2482 PWs) bands (ev): -8.5790 -8.5790 -8.5760 -8.5760 -7.5530 -7.5530 -7.5484 -7.5484 -7.5432 -7.5432 4.6616 4.6616 7.1980 7.1980 9.5145 9.5145 9.5979 9.5979 10.9276 10.9276 11.0099 11.0099 11.0665 11.0665 11.3582 11.3582 11.4359 11.4359 11.6437 11.6437 11.7439 11.7439 11.8005 11.8005 13.1525 13.1525 13.1753 13.1753 15.1470 15.1470 15.2337 15.2337 15.2535 15.2535 15.4983 15.4983 k = 0.4545 0.2624 0.1856 ( 2482 PWs) bands (ev): -8.5790 -8.5790 -8.5759 -8.5759 -7.5530 -7.5530 -7.5483 -7.5483 -7.5430 -7.5430 4.7078 4.7078 7.1360 7.1360 9.5104 9.5104 9.5941 9.5941 10.9300 10.9300 11.0100 11.0100 11.0758 11.0758 11.3616 11.3616 11.4377 11.4377 11.6385 11.6385 11.7390 11.7390 11.7953 11.7953 13.1514 13.1514 13.1748 13.1748 15.1504 15.1504 15.2618 15.2618 15.2833 15.2833 15.4502 15.4502 k = 0.4659 0.2690 0.1902 ( 2488 PWs) bands (ev): -8.5789 -8.5789 -8.5758 -8.5758 -7.5530 -7.5530 -7.5482 -7.5482 -7.5429 -7.5429 4.7456 4.7456 7.0858 7.0858 9.5072 9.5072 9.5911 9.5911 10.9318 10.9318 11.0100 11.0100 11.0837 11.0837 11.3643 11.3643 11.4389 11.4389 11.6344 11.6344 11.7352 11.7352 11.7911 11.7911 13.1505 13.1505 13.1743 13.1743 15.1533 15.1533 15.2857 15.2857 15.3078 15.3078 15.4114 15.4114 k = 0.4773 0.2756 0.1948 ( 2494 PWs) bands (ev): -8.5789 -8.5789 -8.5758 -8.5758 -7.5529 -7.5529 -7.5482 -7.5482 -7.5428 -7.5428 4.7737 4.7737 7.0489 7.0489 9.5048 9.5048 9.5890 9.5890 10.9331 10.9331 11.0100 11.0100 11.0897 11.0897 11.3662 11.3662 11.4396 11.4396 11.6314 11.6314 11.7325 11.7325 11.7879 11.7879 13.1498 13.1498 13.1739 13.1739 15.1558 15.1558 15.3045 15.3045 15.3260 15.3260 15.3822 15.3822 k = 0.4886 0.2821 0.1995 ( 2488 PWs) bands (ev): -8.5789 -8.5789 -8.5757 -8.5757 -7.5529 -7.5529 -7.5481 -7.5481 -7.5427 -7.5427 4.7911 4.7911 7.0262 7.0262 9.5035 9.5035 9.5877 9.5877 10.9338 10.9338 11.0101 11.0101 11.0935 11.0935 11.3674 11.3674 11.4400 11.4400 11.6296 11.6296 11.7308 11.7308 11.7860 11.7860 13.1494 13.1494 13.1737 13.1737 15.1576 15.1576 15.3174 15.3174 15.3372 15.3372 15.3629 15.3629 k = 0.5000 0.2887 0.2041 ( 2488 PWs) bands (ev): -8.5788 -8.5788 -8.5757 -8.5757 -7.5529 -7.5529 -7.5481 -7.5481 -7.5427 -7.5427 4.7970 4.7970 7.0186 7.0186 9.5030 9.5030 9.5873 9.5873 10.9341 10.9341 11.0101 11.0101 11.0947 11.0947 11.3678 11.3678 11.4401 11.4401 11.6290 11.6290 11.7303 11.7303 11.7854 11.7854 13.1493 13.1493 13.1736 13.1736 15.1583 15.1583 15.3225 15.3225 15.3410 15.3410 15.3556 15.3556 k = 0.5000 0.2887 0.2041 ( 2488 PWs) bands (ev): -8.5788 -8.5788 -8.5757 -8.5757 -7.5529 -7.5529 -7.5481 -7.5481 -7.5427 -7.5427 4.7970 4.7970 7.0186 7.0186 9.5030 9.5030 9.5873 9.5873 10.9341 10.9341 11.0101 11.0101 11.0947 11.0947 11.3678 11.3678 11.4401 11.4401 11.6290 11.6290 11.7303 11.7303 11.7854 11.7854 13.1493 13.1493 13.1736 13.1736 15.1583 15.1583 15.3225 15.3225 15.3410 15.3410 15.3556 15.3556 k = 0.5040 0.2770 0.2107 ( 2488 PWs) bands (ev): -8.5788 -8.5788 -8.5757 -8.5757 -7.5529 -7.5529 -7.5481 -7.5481 -7.5427 -7.5427 4.7974 4.7974 7.0203 7.0203 9.5022 9.5022 9.5866 9.5866 10.9338 10.9338 11.0099 11.0099 11.0937 11.0937 11.3689 11.3689 11.4410 11.4410 11.6291 11.6291 11.7299 11.7299 11.7855 11.7855 13.1479 13.1479 13.1725 13.1725 15.1554 15.1554 15.2931 15.2931 15.3313 15.3313 15.3997 15.3997 k = 0.5081 0.2654 0.2173 ( 2496 PWs) bands (ev): -8.5789 -8.5789 -8.5757 -8.5757 -7.5529 -7.5529 -7.5481 -7.5481 -7.5428 -7.5428 4.7987 4.7987 7.0255 7.0255 9.4993 9.4993 9.5848 9.5848 10.9329 10.9329 11.0095 11.0095 11.0906 11.0906 11.3720 11.3720 11.4435 11.4435 11.6294 11.6294 11.7287 11.7287 11.7861 11.7861 13.1434 13.1434 13.1696 13.1696 15.1463 15.1463 15.2525 15.2525 15.3274 15.3274 15.4592 15.4592 k = 0.5121 0.2538 0.2239 ( 2496 PWs) bands (ev): -8.5789 -8.5789 -8.5758 -8.5758 -7.5529 -7.5529 -7.5481 -7.5481 -7.5428 -7.5428 4.8009 4.8009 7.0341 7.0341 9.4935 9.4935 9.5830 9.5830 10.9315 10.9315 11.0087 11.0087 11.0859 11.0859 11.3770 11.3770 11.4477 11.4477 11.6297 11.6297 11.7268 11.7268 11.7871 11.7871 13.1348 13.1348 13.1662 13.1662 15.1298 15.1298 15.2178 15.2178 15.3219 15.3219 15.5257 15.5257 k = 0.5161 0.2421 0.2305 ( 2494 PWs) bands (ev): -8.5789 -8.5789 -8.5758 -8.5758 -7.5529 -7.5529 -7.5481 -7.5481 -7.5429 -7.5429 4.8039 4.8039 7.0462 7.0462 9.4833 9.4833 9.5826 9.5826 10.9293 10.9293 11.0076 11.0076 11.0803 11.0803 11.3835 11.3835 11.4534 11.4534 11.6300 11.6300 11.7242 11.7242 11.7887 11.7887 13.1218 13.1218 13.1630 13.1630 15.1040 15.1040 15.1912 15.1912 15.3144 15.3144 15.5987 15.5987 k = 0.5202 0.2305 0.2370 ( 2492 PWs) bands (ev): -8.5788 -8.5788 -8.5758 -8.5758 -7.5528 -7.5528 -7.5481 -7.5481 -7.5430 -7.5430 4.8077 4.8077 7.0617 7.0617 9.4678 9.4678 9.5846 9.5846 10.9261 10.9261 11.0058 11.0058 11.0747 11.0747 11.3910 11.3910 11.4604 11.4604 11.6301 11.6301 11.7209 11.7209 11.7909 11.7909 13.1048 13.1048 13.1600 13.1600 15.0685 15.0685 15.1729 15.1729 15.3053 15.3053 15.6779 15.6779 k = 0.5242 0.2188 0.2436 ( 2493 PWs) bands (ev): -8.5789 -8.5789 -8.5759 -8.5759 -7.5528 -7.5528 -7.5481 -7.5481 -7.5431 -7.5431 4.8124 4.8124 7.0805 7.0805 9.4468 9.4468 9.5894 9.5894 10.9219 10.9219 11.0031 11.0031 11.0701 11.0701 11.3993 11.3993 11.4685 11.4685 11.6297 11.6297 11.7172 11.7172 11.7938 11.7938 13.0845 13.0845 13.1569 13.1569 15.0251 15.0251 15.1609 15.1609 15.2946 15.2946 15.7628 15.7628 k = 0.5282 0.2072 0.2502 ( 2488 PWs) bands (ev): -8.5788 -8.5788 -8.5759 -8.5759 -7.5528 -7.5528 -7.5481 -7.5481 -7.5432 -7.5432 4.8179 4.8179 7.1027 7.1027 9.4204 9.4204 9.5970 9.5970 10.9164 10.9164 10.9993 10.9993 11.0674 11.0674 11.4080 11.4080 11.4774 11.4774 11.6287 11.6287 11.7131 11.7131 11.7975 11.7975 13.0618 13.0618 13.1537 13.1537 14.9752 14.9752 15.1535 15.1535 15.2827 15.2827 15.8526 15.8526 k = 0.5323 0.1956 0.2568 ( 2489 PWs) bands (ev): -8.5788 -8.5788 -8.5760 -8.5760 -7.5527 -7.5527 -7.5480 -7.5480 -7.5434 -7.5434 4.8242 4.8242 7.1281 7.1281 9.3893 9.3893 9.6070 9.6070 10.9093 10.9093 10.9941 10.9941 11.0673 11.0673 11.4170 11.4170 11.4867 11.4867 11.6269 11.6269 11.7088 11.7088 11.8020 11.8020 13.0371 13.0371 13.1501 13.1501 14.9199 14.9199 15.1497 15.1497 15.2697 15.2697 15.9466 15.9466 k = 0.5363 0.1839 0.2634 ( 2486 PWs) bands (ev): -8.5788 -8.5788 -8.5760 -8.5760 -7.5527 -7.5527 -7.5480 -7.5480 -7.5435 -7.5435 4.8312 4.8312 7.1568 7.1568 9.3539 9.3539 9.6191 9.6191 10.9006 10.9006 10.9880 10.9880 11.0699 11.0699 11.4260 11.4260 11.4961 11.4961 11.6245 11.6245 11.7046 11.7046 11.8072 11.8072 13.0112 13.0112 13.1462 13.1462 14.8597 14.8597 15.1491 15.1491 15.2562 15.2562 16.0433 16.0433 k = 0.5403 0.1723 0.2700 ( 2484 PWs) bands (ev): -8.5788 -8.5788 -8.5761 -8.5761 -7.5526 -7.5526 -7.5480 -7.5480 -7.5437 -7.5437 4.8389 4.8389 7.1886 7.1886 9.3146 9.3146 9.6331 9.6331 10.8903 10.8903 10.9814 10.9814 11.0752 11.0752 11.4349 11.4349 11.5051 11.5051 11.6215 11.6215 11.7006 11.7006 11.8130 11.8130 12.9846 12.9846 13.1418 13.1418 14.7951 14.7951 15.1511 15.1511 15.2424 15.2424 16.1411 16.1411 k = 0.5444 0.1606 0.2766 ( 2488 PWs) bands (ev): -8.5788 -8.5788 -8.5762 -8.5762 -7.5526 -7.5526 -7.5480 -7.5480 -7.5438 -7.5438 4.8474 4.8474 7.2234 7.2234 9.2720 9.2720 9.6487 9.6487 10.8782 10.8782 10.9747 10.9747 11.0827 11.0827 11.4434 11.4434 11.5133 11.5133 11.6182 11.6182 11.6970 11.6970 11.8193 11.8193 12.9576 12.9576 13.1369 13.1369 14.7267 14.7267 15.1552 15.1552 15.2291 15.2291 16.2373 16.2373 k = 0.5484 0.1490 0.2831 ( 2488 PWs) bands (ev): -8.5788 -8.5788 -8.5762 -8.5762 -7.5526 -7.5526 -7.5480 -7.5480 -7.5440 -7.5440 4.8564 4.8564 7.2612 7.2612 9.2263 9.2263 9.6659 9.6659 10.8646 10.8646 10.9683 10.9683 11.0921 11.0921 11.4512 11.4512 11.5203 11.5203 11.6150 11.6150 11.6942 11.6942 11.8258 11.8258 12.9307 12.9307 13.1315 13.1315 14.6551 14.6551 15.1604 15.1604 15.2172 15.2172 16.3270 16.3270 k = 0.5524 0.1374 0.2897 ( 2485 PWs) bands (ev): -8.5788 -8.5788 -8.5763 -8.5763 -7.5526 -7.5526 -7.5480 -7.5480 -7.5441 -7.5441 4.8661 4.8661 7.3019 7.3019 9.1781 9.1781 9.6846 9.6846 10.8497 10.8497 10.9623 10.9623 11.1031 11.1031 11.4580 11.4580 11.5256 11.5256 11.6125 11.6125 11.6924 11.6924 11.8324 11.8324 12.9042 12.9042 13.1255 13.1255 14.5810 14.5810 15.1642 15.1642 15.2094 15.2094 16.4015 16.4015 k = 0.5565 0.1257 0.2963 ( 2485 PWs) bands (ev): -8.5788 -8.5788 -8.5764 -8.5764 -7.5526 -7.5526 -7.5479 -7.5479 -7.5443 -7.5443 4.8762 4.8762 7.3453 7.3453 9.1276 9.1276 9.7045 9.7045 10.8337 10.8337 10.9567 10.9567 11.1155 11.1155 11.4632 11.4632 11.5291 11.5291 11.6112 11.6112 11.6916 11.6916 11.8390 11.8390 12.8783 12.8783 13.1189 13.1189 14.5051 14.5051 15.1628 15.1628 15.2094 15.2094 16.4473 16.4473 k = 0.5605 0.1141 0.3029 ( 2482 PWs) bands (ev): -8.5788 -8.5788 -8.5765 -8.5765 -7.5525 -7.5525 -7.5479 -7.5479 -7.5444 -7.5444 4.8868 4.8868 7.3914 7.3914 9.0752 9.0752 9.7256 9.7256 10.8168 10.8168 10.9517 10.9517 11.1288 11.1288 11.4664 11.4664 11.5306 11.5306 11.6116 11.6116 11.6923 11.6923 11.8451 11.8451 12.8533 12.8533 13.1118 13.1118 14.4280 14.4280 15.1558 15.1558 15.2178 15.2178 16.4548 16.4548 k = 0.5645 0.1024 0.3095 ( 2480 PWs) bands (ev): -8.5788 -8.5788 -8.5765 -8.5765 -7.5525 -7.5525 -7.5480 -7.5480 -7.5445 -7.5445 4.8978 4.8978 7.4399 7.4399 9.0214 9.0214 9.7478 9.7478 10.7992 10.7992 10.9471 10.9471 11.1429 11.1429 11.4673 11.4673 11.5305 11.5305 11.6138 11.6138 11.6943 11.6943 11.8508 11.8508 12.8293 12.8293 13.1040 13.1040 14.3506 14.3506 15.1466 15.1466 15.2312 15.2312 16.4311 16.4311 k = 0.5685 0.0908 0.3161 ( 2488 PWs) bands (ev): -8.5788 -8.5788 -8.5767 -8.5767 -7.5526 -7.5526 -7.5480 -7.5480 -7.5446 -7.5446 4.9090 4.9090 7.4907 7.4907 8.9664 8.9664 9.7711 9.7711 10.7809 10.7809 10.9430 10.9430 11.1572 11.1572 11.4655 11.4655 11.5289 11.5289 11.6178 11.6178 11.6978 11.6978 11.8557 11.8557 12.8064 12.8064 13.0955 13.0955 14.2735 14.2735 15.1373 15.1373 15.2475 15.2475 16.3898 16.3898 k = 0.5726 0.0792 0.3226 ( 2488 PWs) bands (ev): -8.5788 -8.5788 -8.5767 -8.5767 -7.5526 -7.5526 -7.5481 -7.5481 -7.5447 -7.5447 4.9204 4.9204 7.5436 7.5436 8.9106 8.9106 9.7952 9.7952 10.7624 10.7624 10.9395 10.9395 11.1715 11.1715 11.4615 11.4615 11.5260 11.5260 11.6237 11.6237 11.7025 11.7025 11.8600 11.8600 12.7849 12.7849 13.0864 13.0864 14.1974 14.1974 15.1290 15.1290 15.2658 15.2658 16.3406 16.3406 k = 0.5766 0.0675 0.3292 ( 2493 PWs) bands (ev): -8.5788 -8.5788 -8.5768 -8.5768 -7.5526 -7.5526 -7.5482 -7.5482 -7.5447 -7.5447 4.9319 4.9319 7.5985 7.5985 8.8545 8.8545 9.8201 9.8201 10.7436 10.7436 10.9364 10.9364 11.1852 11.1852 11.4559 11.4559 11.5218 11.5218 11.6312 11.6312 11.7083 11.7083 11.8635 11.8635 12.7648 12.7648 13.0766 13.0766 14.1228 14.1228 15.1221 15.1221 15.2854 15.2854 16.2882 16.2882 k = 0.5806 0.0559 0.3358 ( 2491 PWs) bands (ev): -8.5788 -8.5788 -8.5769 -8.5769 -7.5527 -7.5527 -7.5484 -7.5484 -7.5446 -7.5446 4.9434 4.9434 7.6549 7.6549 8.7983 8.7983 9.8457 9.8457 10.7249 10.7249 10.9339 10.9339 11.1980 11.1980 11.4492 11.4492 11.5164 11.5164 11.6402 11.6402 11.7150 11.7150 11.8661 11.8661 12.7461 12.7461 13.0662 13.0662 14.0505 14.0505 15.1169 15.1169 15.3060 15.3060 16.2355 16.2355 k = 0.5847 0.0442 0.3424 ( 2489 PWs) bands (ev): -8.5788 -8.5788 -8.5770 -8.5770 -7.5527 -7.5527 -7.5485 -7.5485 -7.5446 -7.5446 4.9546 4.9546 7.7127 7.7127 8.7426 8.7426 9.8719 9.8719 10.7062 10.7062 10.9319 10.9319 11.2093 11.2093 11.4420 11.4420 11.5098 11.5098 11.6504 11.6504 11.7223 11.7223 11.8679 11.8679 12.7290 12.7290 13.0551 13.0551 13.9808 13.9808 15.1137 15.1137 15.3272 15.3272 16.1838 16.1838 k = 0.5887 0.0326 0.3490 ( 2491 PWs) bands (ev): -8.5788 -8.5788 -8.5771 -8.5771 -7.5528 -7.5528 -7.5487 -7.5487 -7.5445 -7.5445 4.9655 4.9655 7.7713 7.7713 8.6878 8.6878 9.8986 9.8986 10.6878 10.6878 10.9304 10.9304 11.2187 11.2187 11.4350 11.4350 11.5023 11.5023 11.6614 11.6614 11.7303 11.7303 11.8688 11.8688 12.7133 12.7133 13.0433 13.0433 13.9144 13.9144 15.1126 15.1126 15.3485 15.3485 16.1343 16.1343 k = 0.5927 0.0210 0.3556 ( 2501 PWs) bands (ev): -8.5789 -8.5789 -8.5771 -8.5771 -7.5528 -7.5528 -7.5489 -7.5489 -7.5444 -7.5444 4.9759 4.9759 7.8303 7.8303 8.6346 8.6346 9.9255 9.9255 10.6699 10.6699 10.9293 10.9293 11.2257 11.2257 11.4283 11.4283 11.4938 11.4938 11.6732 11.6732 11.7388 11.7388 11.8690 11.8690 12.6992 12.6992 13.0308 13.0308 13.8514 13.8514 15.1138 15.1138 15.3694 15.3694 16.0879 16.0879 k = 0.5968 0.0093 0.3622 ( 2497 PWs) bands (ev): -8.5789 -8.5789 -8.5772 -8.5772 -7.5529 -7.5529 -7.5491 -7.5491 -7.5442 -7.5442 4.9856 4.9856 7.8889 7.8889 8.5837 8.5837 9.9527 9.9527 10.6527 10.6527 10.9289 10.9289 11.2299 11.2299 11.4223 11.4223 11.4847 11.4847 11.6855 11.6855 11.7479 11.7479 11.8687 11.8687 12.6867 12.6867 13.0177 13.0177 13.7923 13.7923 15.1174 15.1174 15.3894 15.3894 16.0450 16.0450 k = 0.6008-0.0023 0.3687 ( 2491 PWs) bands (ev): -8.5789 -8.5789 -8.5772 -8.5772 -7.5530 -7.5530 -7.5493 -7.5493 -7.5441 -7.5441 4.9944 4.9944 7.9460 7.9460 8.5364 8.5364 9.9801 9.9801 10.6364 10.6364 10.9289 10.9289 11.2313 11.2313 11.4170 11.4170 11.4752 11.4752 11.6980 11.6980 11.7574 11.7574 11.8680 11.8680 12.6759 12.6759 13.0039 13.0039 13.7372 13.7372 15.1233 15.1233 15.4075 15.4075 16.0033 16.0033 k = 0.6048-0.0140 0.3753 ( 2493 PWs) bands (ev): -8.5790 -8.5790 -8.5773 -8.5773 -7.5531 -7.5531 -7.5495 -7.5495 -7.5439 -7.5439 5.0022 5.0022 7.9996 7.9996 8.4946 8.4946 10.0073 10.0073 10.6211 10.6211 10.9293 10.9293 11.2299 11.2299 11.4121 11.4121 11.4652 11.4652 11.7105 11.7105 11.7674 11.7674 11.8671 11.8671 12.6668 12.6668 12.9894 12.9894 13.6862 13.6862 15.1316 15.1316 15.4231 15.4231 15.9444 15.9444 k = 0.6089-0.0256 0.3819 ( 2493 PWs) bands (ev): -8.5791 -8.5791 -8.5773 -8.5773 -7.5532 -7.5532 -7.5497 -7.5497 -7.5438 -7.5438 5.0086 5.0086 8.0468 8.0468 8.4614 8.4614 10.0345 10.0345 10.6072 10.6072 10.9303 10.9303 11.2259 11.2259 11.4073 11.4073 11.4550 11.4550 11.7228 11.7228 11.7776 11.7776 11.8666 11.8666 12.6593 12.6593 12.9742 12.9742 13.6395 13.6395 15.1423 15.1423 15.4351 15.4351 15.8728 15.8728 k = 0.6129-0.0372 0.3885 ( 2491 PWs) bands (ev): -8.5791 -8.5791 -8.5773 -8.5773 -7.5533 -7.5533 -7.5498 -7.5498 -7.5436 -7.5436 5.0134 5.0134 8.0826 8.0826 8.4417 8.4417 10.0613 10.0613 10.5948 10.5948 10.9316 10.9316 11.2197 11.2197 11.4022 11.4022 11.4447 11.4447 11.7346 11.7346 11.7878 11.7878 11.8670 11.8670 12.6535 12.6535 12.9585 12.9585 13.5970 13.5970 15.1551 15.1551 15.4428 15.4428 15.8007 15.8007 k = 0.6169-0.0489 0.3951 ( 2494 PWs) bands (ev): -8.5792 -8.5792 -8.5773 -8.5773 -7.5535 -7.5535 -7.5500 -7.5500 -7.5435 -7.5435 5.0165 5.0165 8.1016 8.1016 8.4409 8.4409 10.0878 10.0878 10.5842 10.5842 10.9333 10.9333 11.2116 11.2116 11.3967 11.3967 11.4344 11.4344 11.7458 11.7458 11.7972 11.7972 11.8691 11.8691 12.6493 12.6493 12.9421 12.9421 13.5586 13.5586 15.1698 15.1698 15.4460 15.4460 15.7305 15.7305 k = 0.6210-0.0605 0.4017 ( 2494 PWs) bands (ev): -8.5793 -8.5793 -8.5773 -8.5773 -7.5536 -7.5536 -7.5501 -7.5501 -7.5433 -7.5433 5.0175 5.0175 8.1019 8.1019 8.4613 8.4613 10.1138 10.1138 10.5755 10.5755 10.9353 10.9353 11.2019 11.2019 11.3905 11.3905 11.4242 11.4242 11.7560 11.7560 11.8053 11.8053 11.8738 11.8738 12.6468 12.6468 12.9250 12.9250 13.5240 13.5240 15.1859 15.1859 15.4447 15.4447 15.6632 15.6632 k = 0.6250-0.0722 0.4082 ( 2502 PWs) bands (ev): -8.5795 -8.5795 -8.5773 -8.5773 -7.5538 -7.5538 -7.5502 -7.5502 -7.5432 -7.5432 5.0162 5.0162 8.0873 8.0873 8.4988 8.4988 10.1392 10.1392 10.5689 10.5689 10.9375 10.9375 11.1909 11.1909 11.3836 11.3836 11.4142 11.4142 11.7648 11.7648 11.8117 11.8117 11.8816 11.8816 12.6460 12.6460 12.9074 12.9074 13.4931 13.4931 15.2022 15.2022 15.4398 15.4398 15.6004 15.6004 k = 0.6250-0.0722 0.4082 ( 2502 PWs) bands (ev): -8.5795 -8.5795 -8.5773 -8.5773 -7.5538 -7.5538 -7.5502 -7.5502 -7.5432 -7.5432 5.0162 5.0162 8.0873 8.0873 8.4988 8.4988 10.1392 10.1392 10.5689 10.5689 10.9375 10.9375 11.1909 11.1909 11.3836 11.3836 11.4142 11.4142 11.7648 11.7648 11.8117 11.8117 11.8816 11.8816 12.6460 12.6460 12.9074 12.9074 13.4931 13.4931 15.2022 15.2022 15.4398 15.4398 15.6004 15.6004 k = 0.6181-0.0682 0.4196 ( 2492 PWs) bands (ev): -8.5794 -8.5794 -8.5773 -8.5773 -7.5538 -7.5538 -7.5502 -7.5502 -7.5432 -7.5432 5.0165 5.0165 8.0882 8.0882 8.4992 8.4992 10.1343 10.1343 10.5716 10.5716 10.9382 10.9382 11.1904 11.1904 11.3817 11.3817 11.4160 11.4160 11.7603 11.7603 11.8158 11.8158 11.8819 11.8819 12.6460 12.6460 12.9034 12.9034 13.4997 13.4997 15.1960 15.1960 15.4431 15.4431 15.5929 15.5929 k = 0.6111-0.0642 0.4309 ( 2492 PWs) bands (ev): -8.5794 -8.5794 -8.5773 -8.5773 -7.5538 -7.5538 -7.5502 -7.5502 -7.5432 -7.5432 5.0176 5.0176 8.0908 8.0908 8.5002 8.5002 10.1201 10.1201 10.5793 10.5793 10.9403 10.9403 11.1888 11.1888 11.3771 11.3771 11.4204 11.4204 11.7496 11.7496 11.8251 11.8251 11.8830 11.8830 12.6459 12.6459 12.8920 12.8920 13.5190 13.5190 15.1785 15.1785 15.4520 15.4520 15.5721 15.5721 k = 0.6042-0.0601 0.4423 ( 2492 PWs) bands (ev): -8.5794 -8.5794 -8.5773 -8.5773 -7.5538 -7.5538 -7.5501 -7.5501 -7.5433 -7.5433 5.0192 5.0192 8.0950 8.0950 8.5018 8.5018 10.0979 10.0979 10.5909 10.5909 10.9438 10.9438 11.1860 11.1860 11.3710 11.3710 11.4260 11.4260 11.7363 11.7363 11.8360 11.8360 11.8849 11.8849 12.6457 12.6457 12.8748 12.8748 13.5494 13.5494 15.1519 15.1519 15.4638 15.4638 15.5420 15.5420 k = 0.5972-0.0561 0.4536 ( 2491 PWs) bands (ev): -8.5794 -8.5794 -8.5773 -8.5773 -7.5538 -7.5538 -7.5500 -7.5500 -7.5433 -7.5433 5.0215 5.0215 8.1010 8.1010 8.5039 8.5039 10.0690 10.0690 10.6052 10.6052 10.9486 10.9486 11.1822 11.1822 11.3643 11.3643 11.4320 11.4320 11.7218 11.7218 11.8469 11.8469 11.8877 11.8877 12.6455 12.6455 12.8536 12.8536 13.5887 13.5887 15.1185 15.1185 15.4739 15.4739 15.5089 15.5089 k = 0.5903-0.0521 0.4649 ( 2485 PWs) bands (ev): -8.5793 -8.5793 -8.5773 -8.5773 -7.5538 -7.5538 -7.5499 -7.5499 -7.5434 -7.5434 5.0244 5.0244 8.1087 8.1087 8.5063 8.5063 10.0351 10.0351 10.6212 10.6212 10.9547 10.9547 11.1774 11.1774 11.3574 11.3574 11.4383 11.4383 11.7068 11.7068 11.8568 11.8568 11.8918 11.8918 12.6452 12.6452 12.8303 12.8303 13.6351 13.6351 15.0801 15.0801 15.4573 15.4573 15.4993 15.4993 k = 0.5833-0.0481 0.4763 ( 2490 PWs) bands (ev): -8.5793 -8.5793 -8.5774 -8.5774 -7.5538 -7.5538 -7.5497 -7.5497 -7.5435 -7.5435 5.0278 5.0278 8.1181 8.1181 8.5086 8.5086 9.9976 9.9976 10.6377 10.6377 10.9618 10.9618 11.1714 11.1714 11.3504 11.3504 11.4444 11.4444 11.6916 11.6916 11.8651 11.8651 11.8974 11.8974 12.6447 12.6447 12.8063 12.8063 13.6869 13.6869 15.0377 15.0377 15.4190 15.4190 15.5096 15.5096 k = 0.5764-0.0441 0.4876 ( 2492 PWs) bands (ev): -8.5792 -8.5792 -8.5774 -8.5774 -7.5539 -7.5539 -7.5496 -7.5496 -7.5436 -7.5436 5.0317 5.0317 8.1292 8.1292 8.5106 8.5106 9.9578 9.9578 10.6541 10.6541 10.9699 10.9699 11.1645 11.1645 11.3436 11.3436 11.4504 11.4504 11.6764 11.6764 11.8715 11.8715 11.9045 11.9045 12.6441 12.6441 12.7828 12.7828 13.7427 13.7427 14.9923 14.9923 15.3794 15.3794 15.5206 15.5206 k = 0.5694-0.0401 0.4990 ( 2492 PWs) bands (ev): -8.5792 -8.5792 -8.5774 -8.5774 -7.5539 -7.5539 -7.5494 -7.5494 -7.5437 -7.5437 5.0360 5.0360 8.1421 8.1421 8.5118 8.5118 9.9169 9.9169 10.6700 10.6700 10.9788 10.9788 11.1567 11.1567 11.3371 11.3371 11.4561 11.4561 11.6616 11.6616 11.8764 11.8764 11.9125 11.9125 12.6434 12.6434 12.7607 12.7607 13.8015 13.8015 14.9443 14.9443 15.3413 15.3413 15.5303 15.5303 k = 0.5625-0.0361 0.5103 ( 2480 PWs) bands (ev): -8.5791 -8.5791 -8.5775 -8.5775 -7.5539 -7.5539 -7.5492 -7.5492 -7.5439 -7.5439 5.0406 5.0406 8.1567 8.1567 8.5118 8.5118 9.8760 9.8760 10.6849 10.6849 10.9883 10.9883 11.1482 11.1482 11.3311 11.3311 11.4617 11.4617 11.6473 11.6473 11.8803 11.8803 11.9209 11.9209 12.6424 12.6424 12.7405 12.7405 13.8623 13.8623 14.8944 14.8944 15.3059 15.3059 15.5384 15.5384 k = 0.5556-0.0321 0.5217 ( 2487 PWs) bands (ev): -8.5790 -8.5790 -8.5775 -8.5775 -7.5539 -7.5539 -7.5490 -7.5490 -7.5440 -7.5440 5.0453 5.0453 8.1731 8.1731 8.5100 8.5100 9.8361 9.8361 10.6986 10.6986 10.9982 10.9982 11.1389 11.1389 11.3255 11.3255 11.4670 11.4670 11.6337 11.6337 11.8834 11.8834 11.9290 11.9290 12.6411 12.6411 12.7226 12.7226 13.9244 13.9244 14.8429 14.8429 15.2739 15.2739 15.5448 15.5448 k = 0.5486-0.0281 0.5330 ( 2489 PWs) bands (ev): -8.5789 -8.5789 -8.5776 -8.5776 -7.5539 -7.5539 -7.5488 -7.5488 -7.5442 -7.5442 5.0502 5.0502 8.1912 8.1912 8.5060 8.5060 9.7983 9.7983 10.7110 10.7110 11.0083 11.0083 11.1293 11.1293 11.3205 11.3205 11.4719 11.4719 11.6209 11.6209 11.8859 11.8859 11.9364 11.9364 12.6393 12.6393 12.7075 12.7075 13.9871 13.9871 14.7901 14.7901 15.2457 15.2457 15.5496 15.5496 k = 0.5417-0.0241 0.5443 ( 2484 PWs) bands (ev): -8.5788 -8.5788 -8.5776 -8.5776 -7.5539 -7.5539 -7.5486 -7.5486 -7.5443 -7.5443 5.0549 5.0549 8.2111 8.2111 8.4991 8.4991 9.7636 9.7636 10.7219 10.7219 11.0183 11.0183 11.1195 11.1195 11.3163 11.3163 11.4765 11.4765 11.6093 11.6093 11.8881 11.8881 11.9431 11.9431 12.6371 12.6371 12.6953 12.6953 14.0499 14.0499 14.7365 14.7365 15.2218 15.2218 15.5530 15.5530 k = 0.5347-0.0200 0.5557 ( 2490 PWs) bands (ev): -8.5788 -8.5788 -8.5777 -8.5777 -7.5540 -7.5540 -7.5484 -7.5484 -7.5444 -7.5444 5.0595 5.0595 8.2326 8.2326 8.4889 8.4889 9.7328 9.7328 10.7311 10.7311 11.0278 11.0278 11.1099 11.1099 11.3128 11.3128 11.4806 11.4806 11.5989 11.5989 11.8898 11.8898 11.9487 11.9487 12.6346 12.6346 12.6859 12.6859 14.1121 14.1121 14.6822 14.6822 15.2023 15.2023 15.5550 15.5550 k = 0.5278-0.0160 0.5670 ( 2492 PWs) bands (ev): -8.5787 -8.5787 -8.5778 -8.5778 -7.5540 -7.5540 -7.5483 -7.5483 -7.5446 -7.5446 5.0636 5.0636 8.2559 8.2559 8.4750 8.4750 9.7069 9.7069 10.7386 10.7386 11.0367 11.0367 11.1008 11.1008 11.3102 11.3102 11.4842 11.4842 11.5900 11.5900 11.8911 11.8911 11.9532 11.9532 12.6318 12.6318 12.6790 12.6790 14.1732 14.1732 14.6276 14.6276 15.1871 15.1871 15.5561 15.5561 k = 0.5208-0.0120 0.5784 ( 2486 PWs) bands (ev): -8.5786 -8.5786 -8.5778 -8.5778 -7.5539 -7.5539 -7.5481 -7.5481 -7.5447 -7.5447 5.0672 5.0672 8.2805 8.2805 8.4574 8.4574 9.6864 9.6864 10.7443 10.7443 11.0444 11.0444 11.0928 11.0928 11.3084 11.3084 11.4873 11.4873 11.5829 11.5829 11.8921 11.8921 11.9567 11.9567 12.6294 12.6294 12.6744 12.6744 14.2329 14.2329 14.5731 14.5731 15.1762 15.1762 15.5563 15.5563 k = 0.5139-0.0080 0.5897 ( 2486 PWs) bands (ev): -8.5785 -8.5785 -8.5779 -8.5779 -7.5539 -7.5539 -7.5480 -7.5480 -7.5448 -7.5448 5.0701 5.0701 8.3062 8.3062 8.4364 8.4364 9.6717 9.6717 10.7483 10.7483 11.0506 11.0506 11.0862 11.0862 11.3074 11.3074 11.4895 11.4895 11.5776 11.5776 11.8928 11.8928 11.9591 11.9591 12.6274 12.6274 12.6714 12.6714 14.2904 14.2904 14.5193 14.5193 15.1691 15.1691 15.5561 15.5561 k = 0.5069-0.0040 0.6010 ( 2488 PWs) bands (ev): -8.5784 -8.5784 -8.5780 -8.5780 -7.5539 -7.5539 -7.5479 -7.5479 -7.5448 -7.5448 5.0719 5.0719 8.3311 8.3311 8.4141 8.4141 9.6629 9.6629 10.7506 10.7506 11.0545 11.0545 11.0821 11.0821 11.3070 11.3070 11.4909 11.4909 11.5743 11.5743 11.8931 11.8931 11.9604 11.9604 12.6263 12.6263 12.6697 12.6697 14.3440 14.3440 14.4677 14.4677 15.1654 15.1654 15.5557 15.5557 k = 0.5000 0.0000 0.6124 ( 2488 PWs) bands (ev): -8.5784 -8.5784 -8.5780 -8.5780 -7.5539 -7.5539 -7.5479 -7.5479 -7.5449 -7.5449 5.0726 5.0726 8.3452 8.3452 8.4008 8.4008 9.6601 9.6601 10.7513 10.7513 11.0557 11.0557 11.0808 11.0808 11.3069 11.3069 11.4913 11.4913 11.5732 11.5732 11.8932 11.8932 11.9608 11.9608 12.6259 12.6259 12.6692 12.6692 14.3776 14.3776 14.4347 14.4347 15.1644 15.1644 15.5555 15.5555 k = 0.5000 0.0000 0.6124 ( 2488 PWs) bands (ev): -8.5784 -8.5784 -8.5780 -8.5780 -7.5539 -7.5539 -7.5479 -7.5479 -7.5449 -7.5449 5.0726 5.0726 8.3452 8.3452 8.4008 8.4008 9.6601 9.6601 10.7513 10.7513 11.0557 11.0557 11.0808 11.0808 11.3069 11.3069 11.4913 11.4913 11.5732 11.5732 11.8932 11.8932 11.9608 11.9608 12.6259 12.6259 12.6692 12.6692 14.3776 14.3776 14.4347 14.4347 15.1644 15.1644 15.5555 15.5555 k = 0.5000 0.0080 0.6010 ( 2488 PWs) bands (ev): -8.5784 -8.5784 -8.5780 -8.5780 -7.5539 -7.5539 -7.5479 -7.5479 -7.5449 -7.5449 5.0720 5.0720 8.3434 8.3434 8.3998 8.3998 9.6626 9.6626 10.7500 10.7500 11.0560 11.0560 11.0812 11.0812 11.3074 11.3074 11.4918 11.4918 11.5739 11.5739 11.8925 11.8925 11.9597 11.9597 12.6267 12.6267 12.6704 12.6704 14.3778 14.3778 14.4347 14.4347 15.1682 15.1682 15.5564 15.5564 k = 0.5000 0.0160 0.5897 ( 2486 PWs) bands (ev): -8.5784 -8.5784 -8.5780 -8.5780 -7.5539 -7.5539 -7.5479 -7.5479 -7.5449 -7.5449 5.0700 5.0700 8.3358 8.3358 8.3993 8.3993 9.6698 9.6698 10.7463 10.7463 11.0569 11.0569 11.0827 11.0827 11.3089 11.3089 11.4933 11.4933 11.5760 11.5760 11.8903 11.8903 11.9564 11.9564 12.6292 12.6292 12.6739 12.6739 14.3781 14.3781 14.4352 14.4352 15.1792 15.1792 15.5591 15.5591 k = 0.5000 0.0241 0.5784 ( 2490 PWs) bands (ev): -8.5784 -8.5784 -8.5779 -8.5779 -7.5539 -7.5539 -7.5479 -7.5479 -7.5449 -7.5449 5.0668 5.0668 8.3185 8.3185 8.4038 8.4038 9.6812 9.6812 10.7405 10.7405 11.0579 11.0579 11.0851 11.0851 11.3116 11.3116 11.4955 11.4955 11.5794 11.5794 11.8862 11.8862 11.9514 11.9514 12.6333 12.6333 12.6798 12.6798 14.3773 14.3773 14.4376 14.4376 15.1967 15.1967 15.5641 15.5641 k = 0.5000 0.0321 0.5670 ( 2492 PWs) bands (ev): -8.5785 -8.5785 -8.5779 -8.5779 -7.5538 -7.5538 -7.5478 -7.5478 -7.5450 -7.5450 5.0624 5.0624 8.2908 8.2908 8.4148 8.4148 9.6957 9.6957 10.7332 10.7332 11.0587 11.0587 11.0882 11.0882 11.3154 11.3154 11.4985 11.4985 11.5842 11.5842 11.8799 11.8799 11.9454 11.9454 12.6390 12.6390 12.6879 12.6879 14.3745 14.3745 14.4435 14.4435 15.2191 15.2191 15.5721 15.5721 k = 0.5000 0.0401 0.5557 ( 2492 PWs) bands (ev): -8.5785 -8.5785 -8.5778 -8.5778 -7.5538 -7.5538 -7.5478 -7.5478 -7.5450 -7.5450 5.0568 5.0568 8.2545 8.2545 8.4314 8.4314 9.7122 9.7122 10.7253 10.7253 11.0591 11.0591 11.0918 11.0918 11.3207 11.3207 11.5020 11.5020 11.5900 11.5900 11.8708 11.8708 11.9392 11.9392 12.6462 12.6462 12.6982 12.6982 14.3699 14.3699 14.4534 14.4534 15.2447 15.2447 15.5841 15.5841 k = 0.5000 0.0481 0.5443 ( 2496 PWs) bands (ev): -8.5785 -8.5785 -8.5778 -8.5778 -7.5537 -7.5537 -7.5478 -7.5478 -7.5451 -7.5451 5.0501 5.0501 8.2115 8.2115 8.4527 8.4527 9.7295 9.7295 10.7173 10.7173 11.0590 11.0590 11.0954 11.0954 11.3275 11.3275 11.5057 11.5057 11.5969 11.5969 11.8588 11.8588 11.9335 11.9335 12.6548 12.6548 12.7109 12.7109 14.3641 14.3641 14.4672 14.4672 15.2712 15.2712 15.6015 15.6015 k = 0.5000 0.0561 0.5330 ( 2490 PWs) bands (ev): -8.5785 -8.5785 -8.5777 -8.5777 -7.5536 -7.5536 -7.5477 -7.5477 -7.5451 -7.5451 5.0424 5.0424 8.1634 8.1634 8.4782 8.4782 9.7464 9.7464 10.7100 10.7100 11.0584 11.0584 11.0985 11.0985 11.3358 11.3358 11.5097 11.5097 11.6044 11.6044 11.8439 11.8439 11.9285 11.9285 12.6646 12.6646 12.7259 12.7259 14.3585 14.3585 14.4843 14.4843 15.2962 15.2962 15.6259 15.6259 k = 0.5000 0.0642 0.5217 ( 2486 PWs) bands (ev): -8.5785 -8.5785 -8.5776 -8.5776 -7.5535 -7.5535 -7.5477 -7.5477 -7.5452 -7.5452 5.0337 5.0337 8.1113 8.1113 8.5075 8.5075 9.7618 9.7618 10.7040 10.7040 11.0574 11.0574 11.1008 11.1008 11.3456 11.3456 11.5138 11.5138 11.6123 11.6123 11.8266 11.8266 11.9240 11.9240 12.6753 12.6753 12.7433 12.7433 14.3538 14.3538 14.5042 14.5042 15.3178 15.3178 15.6586 15.6586 k = 0.5000 0.0722 0.5103 ( 2492 PWs) bands (ev): -8.5786 -8.5786 -8.5776 -8.5776 -7.5534 -7.5534 -7.5477 -7.5477 -7.5452 -7.5452 5.0243 5.0243 8.0562 8.0562 8.5402 8.5402 9.7749 9.7749 10.6998 10.6998 11.0560 11.0560 11.1021 11.1021 11.3567 11.3567 11.5179 11.5179 11.6201 11.6201 11.8076 11.8076 11.9200 11.9200 12.6867 12.6867 12.7630 12.7630 14.3511 14.3511 14.5263 14.5263 15.3348 15.3348 15.7001 15.7001 k = 0.5000 0.0802 0.4990 ( 2486 PWs) bands (ev): -8.5786 -8.5786 -8.5775 -8.5775 -7.5533 -7.5533 -7.5476 -7.5476 -7.5453 -7.5453 5.0142 5.0142 7.9991 7.9991 8.5762 8.5762 9.7852 9.7852 10.6977 10.6977 11.0542 11.0542 11.1025 11.1025 11.3689 11.3689 11.5220 11.5220 11.6276 11.6276 11.7876 11.7876 11.9161 11.9161 12.6987 12.6987 12.7852 12.7852 14.3510 14.3510 14.5504 14.5504 15.3469 15.3469 15.7500 15.7500 k = 0.5000 0.0882 0.4876 ( 2484 PWs) bands (ev): -8.5786 -8.5786 -8.5774 -8.5774 -7.5532 -7.5532 -7.5476 -7.5476 -7.5453 -7.5453 5.0034 5.0034 7.9407 7.9407 8.6150 8.6150 9.7920 9.7920 10.6980 10.6980 11.0520 11.0520 11.1019 11.1019 11.3819 11.3819 11.5261 11.5261 11.6342 11.6342 11.7672 11.7672 11.9122 11.9122 12.7112 12.7112 12.8095 12.8095 14.3542 14.3542 14.5760 14.5760 15.3547 15.3547 15.8074 15.8074 k = 0.5000 0.0962 0.4763 ( 2476 PWs) bands (ev): -8.5786 -8.5786 -8.5773 -8.5773 -7.5531 -7.5531 -7.5475 -7.5475 -7.5453 -7.5453 4.9922 4.9922 7.8816 7.8816 8.6564 8.6564 9.7954 9.7954 10.7009 10.7009 11.0494 11.0494 11.1005 11.1005 11.3954 11.3954 11.5301 11.5301 11.6397 11.6397 11.7470 11.7470 11.9080 11.9080 12.7242 12.7242 12.8356 12.8356 14.3610 14.3610 14.6029 14.6029 15.3591 15.3591 15.8710 15.8710 k = 0.5000 0.1042 0.4649 ( 2480 PWs) bands (ev): -8.5786 -8.5786 -8.5772 -8.5772 -7.5530 -7.5530 -7.5475 -7.5475 -7.5453 -7.5453 4.9806 4.9806 7.8223 7.8223 8.7001 8.7001 9.7952 9.7952 10.7062 10.7062 11.0463 11.0463 11.0984 11.0984 11.4091 11.4091 11.5338 11.5338 11.6433 11.6433 11.7279 11.7279 11.9035 11.9035 12.7376 12.7376 12.8631 12.8631 14.3719 14.3719 14.6306 14.6306 15.3607 15.3607 15.9396 15.9396 k = 0.5000 0.1123 0.4536 ( 2482 PWs) bands (ev): -8.5787 -8.5787 -8.5771 -8.5771 -7.5529 -7.5529 -7.5475 -7.5475 -7.5453 -7.5453 4.9687 4.9687 7.7633 7.7633 8.7458 8.7458 9.7917 9.7917 10.7138 10.7138 11.0430 11.0430 11.0958 11.0958 11.4226 11.4226 11.5374 11.5374 11.6445 11.6445 11.7109 11.7109 11.8986 11.8986 12.7517 12.7517 12.8913 12.8913 14.3874 14.3874 14.6591 14.6591 15.3604 15.3604 16.0122 16.0122 k = 0.5000 0.1203 0.4423 ( 2478 PWs) bands (ev): -8.5787 -8.5787 -8.5770 -8.5770 -7.5528 -7.5528 -7.5475 -7.5475 -7.5453 -7.5453 4.9567 4.9567 7.7050 7.7050 8.7932 8.7932 9.7852 9.7852 10.7236 10.7236 11.0393 11.0393 11.0927 11.0927 11.4355 11.4355 11.5406 11.5406 11.6421 11.6421 11.6976 11.6976 11.8933 11.8933 12.7665 12.7665 12.9199 12.9199 14.4076 14.4076 14.6880 14.6880 15.3585 15.3585 16.0878 16.0878 k = 0.5000 0.1283 0.4309 ( 2476 PWs) bands (ev): -8.5787 -8.5787 -8.5769 -8.5769 -7.5528 -7.5528 -7.5475 -7.5475 -7.5452 -7.5452 4.9446 4.9446 7.6478 7.6478 8.8419 8.8419 9.7759 9.7759 10.7352 10.7352 11.0353 11.0353 11.0893 11.0893 11.4475 11.4475 11.5433 11.5433 11.6357 11.6357 11.6890 11.6890 11.8875 11.8875 12.7821 12.7821 12.9480 12.9480 14.4327 14.4327 14.7171 14.7171 15.3556 15.3556 16.1658 16.1658 k = 0.5000 0.1363 0.4196 ( 2484 PWs) bands (ev): -8.5787 -8.5787 -8.5768 -8.5768 -7.5527 -7.5527 -7.5476 -7.5476 -7.5451 -7.5451 4.9325 4.9325 7.5919 7.5919 8.8916 8.8916 9.7645 9.7645 10.7483 10.7483 11.0311 11.0311 11.0856 11.0856 11.4578 11.4578 11.5455 11.5455 11.6263 11.6263 11.6845 11.6845 11.8812 11.8812 12.7985 12.7985 12.9753 12.9753 14.4627 14.4627 14.7462 14.7462 15.3519 15.3519 16.2454 16.2454 k = 0.5000 0.1443 0.4082 ( 2494 PWs) bands (ev): -8.5788 -8.5788 -8.5768 -8.5768 -7.5527 -7.5527 -7.5476 -7.5476 -7.5450 -7.5450 4.9205 4.9205 7.5377 7.5377 8.9418 8.9418 9.7513 9.7513 10.7627 10.7627 11.0266 11.0266 11.0818 11.0818 11.4659 11.4659 11.5468 11.5468 11.6165 11.6165 11.6825 11.6825 11.8745 11.8745 12.8159 12.8159 13.0011 13.0011 14.4976 14.4976 14.7752 14.7752 15.3476 15.3476 16.3257 16.3257 k = 0.5000 0.1524 0.3969 ( 2486 PWs) bands (ev): -8.5787 -8.5787 -8.5767 -8.5767 -7.5526 -7.5526 -7.5477 -7.5477 -7.5449 -7.5449 4.9088 4.9088 7.4854 7.4854 8.9924 8.9924 9.7368 9.7368 10.7781 10.7781 11.0222 11.0222 11.0780 11.0780 11.4713 11.4713 11.5471 11.5471 11.6084 11.6084 11.6820 11.6820 11.8673 11.8673 12.8345 12.8345 13.0252 13.0252 14.5371 14.5371 14.8039 14.8039 15.3431 15.3431 16.4048 16.4048 k = 0.5000 0.1604 0.3856 ( 2486 PWs) bands (ev): -8.5788 -8.5788 -8.5766 -8.5766 -7.5526 -7.5526 -7.5477 -7.5477 -7.5447 -7.5447 4.8974 4.8974 7.4352 7.4352 9.0428 9.0428 9.7214 9.7214 10.7940 10.7940 11.0178 11.0178 11.0743 11.0743 11.4732 11.4732 11.5459 11.5459 11.6033 11.6033 11.6824 11.6824 11.8598 11.8598 12.8541 12.8541 13.0472 13.0472 14.5806 14.5806 14.8324 14.8324 15.3384 15.3384 16.4693 16.4694 k = 0.5000 0.1684 0.3742 ( 2484 PWs) bands (ev): -8.5788 -8.5788 -8.5765 -8.5765 -7.5526 -7.5526 -7.5478 -7.5478 -7.5445 -7.5445 4.8863 4.8863 7.3872 7.3872 9.0926 9.0926 9.7054 9.7054 10.8103 10.8103 11.0136 11.0136 11.0708 11.0708 11.4718 11.4718 11.5430 11.5430 11.6017 11.6017 11.6836 11.6836 11.8521 11.8521 12.8748 12.8748 13.0669 13.0669 14.6277 14.6277 14.8605 14.8605 15.3337 15.3337 16.4782 16.4782 k = 0.5000 0.1764 0.3629 ( 2484 PWs) bands (ev): -8.5788 -8.5788 -8.5764 -8.5764 -7.5526 -7.5526 -7.5478 -7.5478 -7.5444 -7.5444 4.8757 4.8757 7.3417 7.3417 9.1416 9.1416 9.6893 9.6893 10.8267 10.8267 11.0097 11.0097 11.0675 11.0675 11.4674 11.4674 11.5382 11.5382 11.6032 11.6032 11.6855 11.6855 11.8442 11.8442 12.8966 12.8966 13.0843 13.0843 14.6775 14.6775 14.8883 14.8883 15.3291 15.3291 16.4475 16.4475 k = 0.5000 0.1844 0.3515 ( 2484 PWs) bands (ev): -8.5788 -8.5788 -8.5763 -8.5763 -7.5526 -7.5526 -7.5479 -7.5479 -7.5442 -7.5442 4.8655 4.8655 7.2987 7.2987 9.1892 9.1892 9.6733 9.6733 10.8428 10.8428 11.0063 11.0063 11.0646 11.0646 11.4609 11.4609 11.5319 11.5319 11.6067 11.6067 11.6881 11.6881 11.8363 11.8363 12.9195 12.9195 13.0995 13.0995 14.7292 14.7292 14.9159 14.9159 15.3247 15.3247 16.3900 16.3900 k = 0.5000 0.1925 0.3402 ( 2492 PWs) bands (ev): -8.5788 -8.5788 -8.5762 -8.5762 -7.5526 -7.5526 -7.5479 -7.5479 -7.5440 -7.5440 4.8559 4.8559 7.2585 7.2585 9.2350 9.2350 9.6578 9.6578 10.8583 10.8583 11.0036 11.0036 11.0622 11.0622 11.4529 11.4529 11.5242 11.5242 11.6112 11.6112 11.6914 11.6914 11.8285 11.8285 12.9431 12.9431 13.1124 13.1124 14.7817 14.7817 14.9433 14.9433 15.3207 15.3207 16.3132 16.3132 k = 0.5000 0.2005 0.3289 ( 2488 PWs) bands (ev): -8.5788 -8.5788 -8.5762 -8.5762 -7.5526 -7.5526 -7.5480 -7.5480 -7.5438 -7.5438 4.8469 4.8469 7.2211 7.2211 9.2786 9.2786 9.6429 9.6429 10.8729 10.8729 11.0017 11.0017 11.0606 11.0606 11.4442 11.4442 11.5156 11.5156 11.6159 11.6159 11.6952 11.6952 11.8210 11.8210 12.9674 12.9674 13.1235 13.1235 14.8339 14.8339 14.9708 14.9708 15.3172 15.3172 16.2247 16.2247 k = 0.5000 0.2085 0.3175 ( 2490 PWs) bands (ev): -8.5788 -8.5788 -8.5761 -8.5761 -7.5527 -7.5527 -7.5480 -7.5480 -7.5437 -7.5437 4.8385 4.8385 7.1867 7.1867 9.3196 9.3196 9.6291 9.6291 10.8862 10.8862 11.0007 11.0007 11.0598 11.0598 11.4351 11.4351 11.5063 11.5063 11.6202 11.6202 11.6995 11.6995 11.8141 11.8141 12.9921 12.9921 13.1326 13.1326 14.8847 14.8847 14.9987 14.9987 15.3144 15.3144 16.1305 16.1305 k = 0.5000 0.2165 0.3062 ( 2486 PWs) bands (ev): -8.5788 -8.5788 -8.5760 -8.5760 -7.5527 -7.5527 -7.5480 -7.5480 -7.5435 -7.5435 4.8308 4.8308 7.1552 7.1552 9.3575 9.3575 9.6165 9.6165 10.8979 10.8979 11.0008 11.0008 11.0601 11.0601 11.4259 11.4259 11.4966 11.4966 11.6239 11.6239 11.7040 11.7040 11.8078 11.8078 13.0168 13.0168 13.1402 13.1402 14.9328 14.9328 15.0274 15.0274 15.3123 15.3123 16.0346 16.0346 k = 0.5000 0.2245 0.2948 ( 2488 PWs) bands (ev): -8.5788 -8.5788 -8.5759 -8.5759 -7.5527 -7.5527 -7.5480 -7.5480 -7.5433 -7.5433 4.8239 4.8239 7.1269 7.1269 9.3918 9.3918 9.6053 9.6053 10.9077 10.9077 11.0016 11.0016 11.0617 11.0617 11.4167 11.4167 11.4869 11.4869 11.6267 11.6267 11.7086 11.7086 11.8023 11.8023 13.0411 13.0411 13.1465 13.1465 14.9772 14.9772 15.0571 15.0571 15.3112 15.3112 15.9394 15.9394 k = 0.5000 0.2325 0.2835 ( 2492 PWs) bands (ev): -8.5788 -8.5788 -8.5759 -8.5759 -7.5528 -7.5528 -7.5481 -7.5481 -7.5432 -7.5432 4.8177 4.8177 7.1017 7.1017 9.4221 9.4221 9.5960 9.5960 10.9156 10.9156 11.0031 11.0031 11.0647 11.0647 11.4077 11.4077 11.4773 11.4773 11.6285 11.6285 11.7130 11.7130 11.7976 11.7976 13.0644 13.0644 13.1516 13.1516 15.0170 15.0170 15.0880 15.0880 15.3113 15.3113 15.8469 15.8469 k = 0.5000 0.2406 0.2722 ( 2498 PWs) bands (ev): -8.5789 -8.5789 -8.5759 -8.5759 -7.5528 -7.5528 -7.5481 -7.5481 -7.5431 -7.5431 4.8122 4.8122 7.0798 7.0798 9.4479 9.4479 9.5889 9.5889 10.9216 10.9216 11.0047 11.0047 11.0691 11.0691 11.3989 11.3989 11.4683 11.4683 11.6296 11.6296 11.7172 11.7172 11.7938 11.7938 13.0862 13.0862 13.1558 13.1558 15.0523 15.0523 15.1195 15.1195 15.3126 15.3126 15.7584 15.7584 k = 0.5000 0.2486 0.2608 ( 2492 PWs) bands (ev): -8.5788 -8.5788 -8.5758 -8.5758 -7.5528 -7.5528 -7.5481 -7.5481 -7.5430 -7.5430 4.8076 4.8076 7.0612 7.0612 9.4685 9.4685 9.5844 9.5844 10.9261 10.9261 11.0064 11.0064 11.0745 11.0745 11.3908 11.3908 11.4603 11.4603 11.6301 11.6301 11.7210 11.7210 11.7909 11.7909 13.1058 13.1058 13.1595 13.1595 15.0833 15.0833 15.1509 15.1509 15.3152 15.3152 15.6746 15.6746 k = 0.5000 0.2566 0.2495 ( 2496 PWs) bands (ev): -8.5789 -8.5789 -8.5758 -8.5758 -7.5529 -7.5529 -7.5481 -7.5481 -7.5429 -7.5429 4.8038 4.8038 7.0459 7.0459 9.4836 9.4836 9.5825 9.5825 10.9293 10.9293 11.0077 11.0077 11.0804 11.0804 11.3833 11.3833 11.4532 11.4532 11.6300 11.6300 11.7242 11.7242 11.7886 11.7886 13.1223 13.1223 13.1628 13.1628 15.1100 15.1100 15.1826 15.1826 15.3190 15.3190 15.5965 15.5965 k = 0.5000 0.2646 0.2381 ( 2494 PWs) bands (ev): -8.5789 -8.5789 -8.5758 -8.5758 -7.5529 -7.5529 -7.5481 -7.5481 -7.5428 -7.5428 4.8008 4.8008 7.0340 7.0340 9.4936 9.4936 9.5830 9.5830 10.9315 10.9315 11.0088 11.0088 11.0860 11.0860 11.3769 11.3769 11.4476 11.4476 11.6297 11.6297 11.7268 11.7268 11.7871 11.7871 13.1351 13.1351 13.1662 13.1662 15.1314 15.1314 15.2159 15.2159 15.3235 15.3235 15.5243 15.5243 k = 0.5000 0.2726 0.2268 ( 2494 PWs) bands (ev): -8.5789 -8.5789 -8.5757 -8.5757 -7.5529 -7.5529 -7.5481 -7.5481 -7.5428 -7.5428 4.7987 4.7987 7.0254 7.0254 9.4994 9.4994 9.5848 9.5848 10.9330 10.9330 11.0095 11.0095 11.0906 11.0906 11.3720 11.3720 11.4435 11.4435 11.6294 11.6294 11.7287 11.7287 11.7861 11.7861 13.1435 13.1435 13.1697 13.1697 15.1466 15.1466 15.2526 15.2526 15.3278 15.3278 15.4584 15.4584 k = 0.5000 0.2807 0.2155 ( 2488 PWs) bands (ev): -8.5788 -8.5788 -8.5757 -8.5757 -7.5529 -7.5529 -7.5481 -7.5481 -7.5427 -7.5427 4.7974 4.7974 7.0203 7.0203 9.5022 9.5022 9.5866 9.5866 10.9338 10.9338 11.0099 11.0099 11.0937 11.0937 11.3689 11.3689 11.4410 11.4410 11.6291 11.6291 11.7299 11.7299 11.7855 11.7855 13.1479 13.1479 13.1725 13.1725 15.1554 15.1554 15.2933 15.2933 15.3314 15.3314 15.3994 15.3994 k = 0.5000 0.2887 0.2041 ( 2488 PWs) bands (ev): -8.5788 -8.5788 -8.5757 -8.5757 -7.5529 -7.5529 -7.5481 -7.5481 -7.5427 -7.5427 4.7970 4.7970 7.0186 7.0186 9.5030 9.5030 9.5873 9.5873 10.9341 10.9341 11.0101 11.0101 11.0947 11.0947 11.3678 11.3678 11.4401 11.4401 11.6290 11.6290 11.7303 11.7303 11.7854 11.7854 13.1493 13.1493 13.1736 13.1736 15.1583 15.1583 15.3225 15.3225 15.3410 15.3410 15.3556 15.3556 k = 0.5000 0.2887 0.2041 ( 2488 PWs) bands (ev): -8.5788 -8.5788 -8.5757 -8.5757 -7.5529 -7.5529 -7.5481 -7.5481 -7.5427 -7.5427 4.7970 4.7970 7.0186 7.0186 9.5030 9.5030 9.5873 9.5873 10.9341 10.9341 11.0101 11.0101 11.0947 11.0947 11.3678 11.3678 11.4401 11.4401 11.6290 11.6290 11.7303 11.7303 11.7854 11.7854 13.1493 13.1493 13.1736 13.1736 15.1583 15.1583 15.3225 15.3225 15.3410 15.3410 15.3556 15.3556 k = 0.4960 0.2863 0.2173 ( 2488 PWs) bands (ev): -8.5788 -8.5788 -8.5757 -8.5757 -7.5529 -7.5529 -7.5481 -7.5481 -7.5427 -7.5427 4.7974 4.7974 7.0203 7.0203 9.5022 9.5022 9.5866 9.5866 10.9338 10.9338 11.0099 11.0099 11.0937 11.0937 11.3689 11.3689 11.4410 11.4410 11.6291 11.6291 11.7299 11.7299 11.7855 11.7855 13.1479 13.1479 13.1725 13.1725 15.1554 15.1554 15.2931 15.2931 15.3313 15.3313 15.3997 15.3997 k = 0.4919 0.2840 0.2305 ( 2496 PWs) bands (ev): -8.5789 -8.5789 -8.5757 -8.5757 -7.5529 -7.5529 -7.5481 -7.5481 -7.5428 -7.5428 4.7987 4.7987 7.0255 7.0255 9.4993 9.4993 9.5848 9.5848 10.9329 10.9329 11.0095 11.0095 11.0906 11.0906 11.3720 11.3720 11.4435 11.4435 11.6294 11.6294 11.7287 11.7287 11.7861 11.7861 13.1434 13.1434 13.1696 13.1696 15.1463 15.1463 15.2525 15.2525 15.3274 15.3274 15.4592 15.4592 k = 0.4879 0.2817 0.2436 ( 2496 PWs) bands (ev): -8.5789 -8.5789 -8.5758 -8.5758 -7.5529 -7.5529 -7.5481 -7.5481 -7.5428 -7.5428 4.8009 4.8009 7.0341 7.0341 9.4935 9.4935 9.5830 9.5830 10.9315 10.9315 11.0087 11.0087 11.0859 11.0859 11.3770 11.3770 11.4477 11.4477 11.6297 11.6297 11.7268 11.7268 11.7871 11.7871 13.1348 13.1348 13.1662 13.1662 15.1298 15.1298 15.2178 15.2178 15.3219 15.3219 15.5257 15.5257 k = 0.4839 0.2794 0.2568 ( 2494 PWs) bands (ev): -8.5789 -8.5789 -8.5758 -8.5758 -7.5529 -7.5529 -7.5481 -7.5481 -7.5429 -7.5429 4.8039 4.8039 7.0462 7.0462 9.4833 9.4833 9.5825 9.5825 10.9293 10.9293 11.0076 11.0076 11.0803 11.0803 11.3835 11.3835 11.4534 11.4534 11.6300 11.6300 11.7242 11.7242 11.7887 11.7887 13.1218 13.1218 13.1630 13.1630 15.1040 15.1040 15.1912 15.1912 15.3144 15.3144 15.5987 15.5987 k = 0.4798 0.2770 0.2700 ( 2492 PWs) bands (ev): -8.5788 -8.5788 -8.5758 -8.5758 -7.5528 -7.5528 -7.5481 -7.5481 -7.5430 -7.5430 4.8077 4.8077 7.0617 7.0617 9.4678 9.4678 9.5846 9.5846 10.9261 10.9261 11.0058 11.0058 11.0747 11.0747 11.3910 11.3910 11.4604 11.4604 11.6301 11.6301 11.7209 11.7209 11.7909 11.7909 13.1048 13.1048 13.1600 13.1600 15.0685 15.0685 15.1729 15.1729 15.3053 15.3053 15.6779 15.6779 k = 0.4758 0.2747 0.2831 ( 2493 PWs) bands (ev): -8.5789 -8.5789 -8.5759 -8.5759 -7.5528 -7.5528 -7.5481 -7.5481 -7.5431 -7.5431 4.8124 4.8124 7.0805 7.0805 9.4468 9.4468 9.5894 9.5894 10.9219 10.9219 11.0031 11.0031 11.0701 11.0701 11.3993 11.3993 11.4685 11.4685 11.6297 11.6297 11.7172 11.7172 11.7938 11.7938 13.0845 13.0845 13.1569 13.1569 15.0251 15.0251 15.1609 15.1609 15.2946 15.2946 15.7628 15.7628 k = 0.4718 0.2724 0.2963 ( 2488 PWs) bands (ev): -8.5788 -8.5788 -8.5759 -8.5759 -7.5528 -7.5528 -7.5481 -7.5481 -7.5432 -7.5432 4.8179 4.8179 7.1027 7.1027 9.4204 9.4204 9.5970 9.5970 10.9164 10.9164 10.9993 10.9993 11.0674 11.0674 11.4080 11.4080 11.4774 11.4774 11.6287 11.6287 11.7131 11.7131 11.7975 11.7975 13.0618 13.0618 13.1537 13.1537 14.9752 14.9752 15.1535 15.1535 15.2827 15.2827 15.8526 15.8526 k = 0.4677 0.2701 0.3095 ( 2489 PWs) bands (ev): -8.5788 -8.5788 -8.5760 -8.5760 -7.5527 -7.5527 -7.5480 -7.5480 -7.5434 -7.5434 4.8242 4.8242 7.1281 7.1281 9.3893 9.3893 9.6070 9.6070 10.9093 10.9093 10.9941 10.9941 11.0673 11.0673 11.4170 11.4170 11.4867 11.4867 11.6269 11.6269 11.7088 11.7088 11.8020 11.8020 13.0371 13.0371 13.1501 13.1501 14.9199 14.9199 15.1497 15.1497 15.2697 15.2697 15.9466 15.9466 k = 0.4637 0.2677 0.3226 ( 2486 PWs) bands (ev): -8.5788 -8.5788 -8.5760 -8.5760 -7.5527 -7.5527 -7.5480 -7.5480 -7.5435 -7.5435 4.8312 4.8312 7.1568 7.1568 9.3539 9.3539 9.6191 9.6191 10.9006 10.9006 10.9880 10.9880 11.0699 11.0699 11.4260 11.4260 11.4961 11.4961 11.6245 11.6245 11.7046 11.7046 11.8072 11.8072 13.0112 13.0112 13.1462 13.1462 14.8597 14.8597 15.1491 15.1491 15.2562 15.2562 16.0433 16.0433 k = 0.4597 0.2654 0.3358 ( 2484 PWs) bands (ev): -8.5788 -8.5788 -8.5761 -8.5761 -7.5526 -7.5526 -7.5480 -7.5480 -7.5437 -7.5437 4.8389 4.8389 7.1886 7.1886 9.3146 9.3146 9.6331 9.6331 10.8903 10.8903 10.9814 10.9814 11.0752 11.0752 11.4349 11.4349 11.5051 11.5051 11.6215 11.6215 11.7006 11.7006 11.8130 11.8130 12.9846 12.9846 13.1418 13.1418 14.7951 14.7951 15.1511 15.1511 15.2424 15.2424 16.1411 16.1411 k = 0.4556 0.2631 0.3490 ( 2488 PWs) bands (ev): -8.5788 -8.5788 -8.5762 -8.5762 -7.5526 -7.5526 -7.5480 -7.5480 -7.5438 -7.5438 4.8474 4.8474 7.2234 7.2234 9.2720 9.2720 9.6487 9.6487 10.8782 10.8782 10.9747 10.9747 11.0827 11.0827 11.4434 11.4434 11.5133 11.5133 11.6182 11.6182 11.6970 11.6970 11.8193 11.8193 12.9576 12.9576 13.1369 13.1369 14.7267 14.7267 15.1552 15.1552 15.2291 15.2291 16.2373 16.2373 k = 0.4516 0.2607 0.3622 ( 2488 PWs) bands (ev): -8.5788 -8.5788 -8.5762 -8.5762 -7.5526 -7.5526 -7.5480 -7.5480 -7.5440 -7.5440 4.8564 4.8564 7.2612 7.2612 9.2263 9.2263 9.6659 9.6659 10.8646 10.8646 10.9683 10.9683 11.0921 11.0921 11.4512 11.4512 11.5203 11.5203 11.6150 11.6150 11.6942 11.6942 11.8258 11.8258 12.9307 12.9307 13.1315 13.1315 14.6551 14.6551 15.1604 15.1604 15.2172 15.2172 16.3270 16.3270 k = 0.4476 0.2584 0.3753 ( 2485 PWs) bands (ev): -8.5788 -8.5788 -8.5763 -8.5763 -7.5526 -7.5526 -7.5480 -7.5480 -7.5441 -7.5441 4.8661 4.8661 7.3019 7.3019 9.1781 9.1781 9.6846 9.6846 10.8497 10.8497 10.9623 10.9623 11.1031 11.1031 11.4580 11.4580 11.5256 11.5256 11.6125 11.6125 11.6924 11.6924 11.8324 11.8324 12.9042 12.9042 13.1255 13.1255 14.5810 14.5810 15.1642 15.1642 15.2094 15.2094 16.4015 16.4015 k = 0.4435 0.2561 0.3885 ( 2485 PWs) bands (ev): -8.5788 -8.5788 -8.5764 -8.5764 -7.5526 -7.5526 -7.5479 -7.5479 -7.5443 -7.5443 4.8762 4.8762 7.3453 7.3453 9.1276 9.1276 9.7045 9.7045 10.8337 10.8337 10.9567 10.9567 11.1155 11.1155 11.4632 11.4632 11.5291 11.5291 11.6112 11.6112 11.6916 11.6916 11.8390 11.8390 12.8783 12.8783 13.1189 13.1189 14.5051 14.5051 15.1628 15.1628 15.2094 15.2094 16.4473 16.4473 k = 0.4395 0.2538 0.4017 ( 2482 PWs) bands (ev): -8.5788 -8.5788 -8.5765 -8.5765 -7.5525 -7.5525 -7.5479 -7.5479 -7.5444 -7.5444 4.8868 4.8868 7.3914 7.3914 9.0752 9.0752 9.7256 9.7256 10.8168 10.8168 10.9517 10.9517 11.1288 11.1288 11.4664 11.4664 11.5306 11.5306 11.6116 11.6116 11.6923 11.6923 11.8451 11.8451 12.8533 12.8533 13.1118 13.1118 14.4280 14.4280 15.1558 15.1558 15.2178 15.2178 16.4548 16.4548 k = 0.4355 0.2514 0.4148 ( 2480 PWs) bands (ev): -8.5788 -8.5788 -8.5765 -8.5765 -7.5525 -7.5525 -7.5480 -7.5480 -7.5445 -7.5445 4.8978 4.8978 7.4399 7.4399 9.0214 9.0214 9.7478 9.7478 10.7992 10.7992 10.9471 10.9471 11.1429 11.1429 11.4673 11.4673 11.5305 11.5305 11.6138 11.6138 11.6943 11.6943 11.8508 11.8508 12.8293 12.8293 13.1040 13.1040 14.3506 14.3506 15.1466 15.1466 15.2312 15.2312 16.4311 16.4311 k = 0.4315 0.2491 0.4280 ( 2488 PWs) bands (ev): -8.5788 -8.5788 -8.5767 -8.5767 -7.5526 -7.5526 -7.5480 -7.5480 -7.5446 -7.5446 4.9090 4.9090 7.4907 7.4907 8.9664 8.9664 9.7711 9.7711 10.7809 10.7809 10.9430 10.9430 11.1572 11.1572 11.4655 11.4655 11.5289 11.5289 11.6178 11.6178 11.6978 11.6978 11.8557 11.8557 12.8064 12.8064 13.0955 13.0955 14.2735 14.2735 15.1373 15.1373 15.2475 15.2475 16.3898 16.3898 k = 0.4274 0.2468 0.4412 ( 2488 PWs) bands (ev): -8.5788 -8.5788 -8.5767 -8.5767 -7.5526 -7.5526 -7.5481 -7.5481 -7.5447 -7.5447 4.9204 4.9204 7.5436 7.5436 8.9106 8.9106 9.7952 9.7952 10.7624 10.7624 10.9395 10.9395 11.1715 11.1715 11.4615 11.4615 11.5260 11.5260 11.6237 11.6237 11.7025 11.7025 11.8600 11.8600 12.7849 12.7849 13.0864 13.0864 14.1974 14.1974 15.1290 15.1290 15.2658 15.2658 16.3406 16.3406 k = 0.4234 0.2444 0.4543 ( 2493 PWs) bands (ev): -8.5788 -8.5788 -8.5768 -8.5768 -7.5526 -7.5526 -7.5482 -7.5482 -7.5447 -7.5447 4.9319 4.9319 7.5985 7.5985 8.8545 8.8545 9.8201 9.8201 10.7436 10.7436 10.9364 10.9364 11.1852 11.1852 11.4559 11.4559 11.5218 11.5218 11.6312 11.6312 11.7083 11.7083 11.8635 11.8635 12.7648 12.7648 13.0766 13.0766 14.1228 14.1228 15.1221 15.1221 15.2854 15.2854 16.2882 16.2882 k = 0.4194 0.2421 0.4675 ( 2491 PWs) bands (ev): -8.5788 -8.5788 -8.5769 -8.5769 -7.5527 -7.5527 -7.5484 -7.5484 -7.5446 -7.5446 4.9434 4.9434 7.6549 7.6549 8.7983 8.7983 9.8457 9.8457 10.7249 10.7249 10.9339 10.9339 11.1980 11.1980 11.4492 11.4492 11.5164 11.5164 11.6402 11.6402 11.7150 11.7150 11.8661 11.8661 12.7461 12.7461 13.0662 13.0662 14.0505 14.0505 15.1169 15.1169 15.3060 15.3060 16.2355 16.2355 k = 0.4153 0.2398 0.4807 ( 2489 PWs) bands (ev): -8.5788 -8.5788 -8.5770 -8.5770 -7.5527 -7.5527 -7.5485 -7.5485 -7.5446 -7.5446 4.9546 4.9546 7.7127 7.7127 8.7426 8.7426 9.8719 9.8719 10.7062 10.7062 10.9319 10.9319 11.2093 11.2093 11.4420 11.4420 11.5098 11.5098 11.6504 11.6504 11.7223 11.7223 11.8679 11.8679 12.7290 12.7290 13.0551 13.0551 13.9808 13.9808 15.1137 15.1137 15.3272 15.3272 16.1838 16.1838 k = 0.4113 0.2375 0.4938 ( 2491 PWs) bands (ev): -8.5788 -8.5788 -8.5771 -8.5771 -7.5528 -7.5528 -7.5487 -7.5487 -7.5445 -7.5445 4.9655 4.9655 7.7713 7.7713 8.6878 8.6878 9.8986 9.8986 10.6878 10.6878 10.9304 10.9304 11.2187 11.2187 11.4350 11.4350 11.5023 11.5023 11.6614 11.6614 11.7303 11.7303 11.8688 11.8688 12.7133 12.7133 13.0433 13.0433 13.9144 13.9144 15.1126 15.1126 15.3485 15.3485 16.1343 16.1343 k = 0.4073 0.2351 0.5070 ( 2501 PWs) bands (ev): -8.5789 -8.5789 -8.5771 -8.5771 -7.5528 -7.5528 -7.5489 -7.5489 -7.5444 -7.5444 4.9759 4.9759 7.8303 7.8303 8.6346 8.6346 9.9255 9.9255 10.6699 10.6699 10.9293 10.9293 11.2257 11.2257 11.4283 11.4283 11.4938 11.4938 11.6732 11.6732 11.7388 11.7388 11.8690 11.8690 12.6992 12.6992 13.0308 13.0308 13.8514 13.8514 15.1138 15.1138 15.3694 15.3694 16.0879 16.0879 k = 0.4032 0.2328 0.5202 ( 2497 PWs) bands (ev): -8.5789 -8.5789 -8.5772 -8.5772 -7.5529 -7.5529 -7.5491 -7.5491 -7.5442 -7.5442 4.9856 4.9856 7.8889 7.8889 8.5837 8.5837 9.9527 9.9527 10.6527 10.6527 10.9289 10.9289 11.2299 11.2299 11.4223 11.4223 11.4847 11.4847 11.6855 11.6855 11.7479 11.7479 11.8687 11.8687 12.6867 12.6867 13.0177 13.0177 13.7923 13.7923 15.1174 15.1174 15.3894 15.3894 16.0450 16.0450 k = 0.3992 0.2305 0.5334 ( 2491 PWs) bands (ev): -8.5789 -8.5789 -8.5772 -8.5772 -7.5530 -7.5530 -7.5493 -7.5493 -7.5441 -7.5441 4.9944 4.9944 7.9460 7.9460 8.5364 8.5364 9.9801 9.9801 10.6364 10.6364 10.9289 10.9289 11.2313 11.2313 11.4170 11.4170 11.4752 11.4752 11.6980 11.6980 11.7574 11.7574 11.8680 11.8680 12.6759 12.6759 13.0039 13.0039 13.7372 13.7372 15.1233 15.1233 15.4075 15.4075 16.0033 16.0034 k = 0.3952 0.2281 0.5465 ( 2493 PWs) bands (ev): -8.5790 -8.5790 -8.5773 -8.5773 -7.5531 -7.5531 -7.5495 -7.5495 -7.5439 -7.5439 5.0022 5.0022 7.9996 7.9996 8.4946 8.4946 10.0073 10.0073 10.6211 10.6211 10.9293 10.9293 11.2299 11.2299 11.4121 11.4121 11.4652 11.4652 11.7105 11.7105 11.7674 11.7674 11.8671 11.8671 12.6668 12.6668 12.9894 12.9894 13.6862 13.6862 15.1316 15.1316 15.4231 15.4231 15.9444 15.9444 k = 0.3911 0.2258 0.5597 ( 2493 PWs) bands (ev): -8.5791 -8.5791 -8.5773 -8.5773 -7.5532 -7.5532 -7.5497 -7.5497 -7.5438 -7.5438 5.0086 5.0086 8.0468 8.0468 8.4614 8.4614 10.0345 10.0345 10.6072 10.6072 10.9303 10.9303 11.2259 11.2259 11.4073 11.4073 11.4550 11.4550 11.7228 11.7228 11.7776 11.7776 11.8666 11.8666 12.6593 12.6593 12.9742 12.9742 13.6395 13.6395 15.1423 15.1423 15.4351 15.4351 15.8728 15.8728 k = 0.3871 0.2235 0.5729 ( 2491 PWs) bands (ev): -8.5791 -8.5791 -8.5773 -8.5773 -7.5533 -7.5533 -7.5498 -7.5498 -7.5436 -7.5436 5.0134 5.0134 8.0826 8.0826 8.4417 8.4417 10.0613 10.0613 10.5948 10.5948 10.9316 10.9316 11.2197 11.2197 11.4022 11.4022 11.4447 11.4447 11.7346 11.7346 11.7878 11.7878 11.8670 11.8670 12.6535 12.6535 12.9585 12.9585 13.5970 13.5970 15.1551 15.1551 15.4428 15.4428 15.8007 15.8007 k = 0.3831 0.2212 0.5860 ( 2494 PWs) bands (ev): -8.5792 -8.5792 -8.5773 -8.5773 -7.5535 -7.5535 -7.5500 -7.5500 -7.5435 -7.5435 5.0165 5.0165 8.1016 8.1016 8.4409 8.4409 10.0878 10.0878 10.5842 10.5842 10.9333 10.9333 11.2116 11.2116 11.3967 11.3967 11.4344 11.4344 11.7458 11.7458 11.7972 11.7972 11.8691 11.8691 12.6493 12.6493 12.9421 12.9421 13.5586 13.5586 15.1698 15.1698 15.4460 15.4460 15.7305 15.7305 k = 0.3790 0.2188 0.5992 ( 2494 PWs) bands (ev): -8.5793 -8.5793 -8.5773 -8.5773 -7.5536 -7.5536 -7.5501 -7.5501 -7.5433 -7.5433 5.0175 5.0175 8.1019 8.1019 8.4613 8.4613 10.1138 10.1138 10.5755 10.5755 10.9353 10.9353 11.2019 11.2019 11.3905 11.3905 11.4242 11.4242 11.7560 11.7560 11.8053 11.8053 11.8738 11.8738 12.6468 12.6468 12.9250 12.9250 13.5240 13.5240 15.1859 15.1859 15.4447 15.4447 15.6632 15.6632 k = 0.3750 0.2165 0.6124 ( 2502 PWs) bands (ev): -8.5795 -8.5795 -8.5773 -8.5773 -7.5538 -7.5538 -7.5502 -7.5502 -7.5432 -7.5432 5.0162 5.0162 8.0873 8.0873 8.4988 8.4988 10.1392 10.1392 10.5689 10.5689 10.9375 10.9375 11.1909 11.1909 11.3836 11.3836 11.4142 11.4142 11.7648 11.7648 11.8117 11.8117 11.8816 11.8816 12.6460 12.6460 12.9074 12.9074 13.4931 13.4931 15.2022 15.2022 15.4398 15.4398 15.6004 15.6004 k = 0.6250-0.0722 0.4082 ( 2502 PWs) bands (ev): -8.5795 -8.5795 -8.5773 -8.5773 -7.5538 -7.5538 -7.5502 -7.5502 -7.5432 -7.5432 5.0162 5.0162 8.0873 8.0873 8.4988 8.4988 10.1392 10.1392 10.5689 10.5689 10.9375 10.9375 11.1909 11.1909 11.3836 11.3836 11.4142 11.4142 11.7648 11.7648 11.8117 11.8117 11.8816 11.8816 12.6460 12.6460 12.9074 12.9074 13.4931 13.4931 15.2022 15.2022 15.4398 15.4398 15.6004 15.6004 k = 0.6181-0.0842 0.4082 ( 2494 PWs) bands (ev): -8.5796 -8.5796 -8.5772 -8.5772 -7.5541 -7.5541 -7.5504 -7.5504 -7.5430 -7.5430 5.0108 5.0108 8.0540 8.0540 8.5761 8.5761 10.1826 10.1826 10.5597 10.5597 10.9418 10.9418 11.1704 11.1704 11.3704 11.3704 11.3978 11.3978 11.7778 11.7778 11.8232 11.8232 11.8979 11.8979 12.6459 12.6459 12.8765 12.8765 13.4447 13.4447 15.2287 15.2287 15.4287 15.4287 15.5006 15.5006 k = 0.6111-0.0962 0.4082 ( 2496 PWs) bands (ev): -8.5798 -8.5798 -8.5772 -8.5772 -7.5544 -7.5544 -7.5506 -7.5506 -7.5428 -7.5428 5.0038 5.0038 8.0225 8.0225 8.6559 8.6559 10.2261 10.2261 10.5512 10.5512 10.9467 10.9467 11.1483 11.1483 11.3558 11.3558 11.3816 11.3816 11.7900 11.7900 11.8374 11.8374 11.9143 11.9143 12.6456 12.6456 12.8455 12.8455 13.3997 13.3997 15.2523 15.2523 15.3889 15.3889 15.4365 15.4365 k = 0.6042-0.1083 0.4082 ( 2484 PWs) bands (ev): -8.5800 -8.5800 -8.5771 -8.5771 -7.5547 -7.5547 -7.5507 -7.5507 -7.5425 -7.5425 4.9954 4.9954 7.9928 7.9928 8.7372 8.7372 10.2695 10.2695 10.5436 10.5436 10.9522 10.9522 11.1251 11.1251 11.3402 11.3402 11.3660 11.3660 11.8024 11.8024 11.8535 11.8535 11.9308 11.9308 12.6450 12.6450 12.8145 12.8145 13.3577 13.3577 15.2636 15.2636 15.3109 15.3109 15.4272 15.4272 k = 0.5972-0.1203 0.4082 ( 2476 PWs) bands (ev): -8.5802 -8.5802 -8.5771 -8.5771 -7.5550 -7.5550 -7.5508 -7.5508 -7.5423 -7.5423 4.9860 4.9860 7.9651 7.9651 8.8191 8.8191 10.3122 10.3122 10.5372 10.5372 10.9581 10.9581 11.1004 11.1004 11.3240 11.3240 11.3510 11.3510 11.8156 11.8156 11.8709 11.8709 11.9469 11.9469 12.6441 12.6441 12.7835 12.7835 13.3185 13.3185 15.1992 15.1992 15.3063 15.3063 15.4247 15.4247 k = 0.5903-0.1323 0.4082 ( 2480 PWs) bands (ev): -8.5804 -8.5804 -8.5771 -8.5771 -7.5554 -7.5554 -7.5509 -7.5509 -7.5422 -7.5422 4.9760 4.9760 7.9394 7.9394 8.9006 8.9006 10.3535 10.3535 10.5325 10.5325 10.9644 10.9644 11.0746 11.0746 11.3074 11.3074 11.3364 11.3364 11.8301 11.8301 11.8890 11.8890 11.9628 11.9628 12.6428 12.6428 12.7526 12.7526 13.2816 13.2816 15.1145 15.1145 15.3239 15.3239 15.4248 15.4248 k = 0.5833-0.1443 0.4082 ( 2488 PWs) bands (ev): -8.5806 -8.5806 -8.5770 -8.5770 -7.5557 -7.5557 -7.5510 -7.5510 -7.5420 -7.5420 4.9657 4.9657 7.9156 7.9156 8.9809 8.9809 10.3925 10.3925 10.5304 10.5304 10.9709 10.9709 11.0481 11.0481 11.2908 11.2908 11.3223 11.3223 11.8461 11.8461 11.9075 11.9075 11.9787 11.9787 12.6407 12.6407 12.7222 12.7222 13.2468 13.2468 15.0326 15.0326 15.3413 15.3413 15.4268 15.4268 k = 0.5764-0.1564 0.4082 ( 2488 PWs) bands (ev): -8.5808 -8.5808 -8.5770 -8.5770 -7.5561 -7.5561 -7.5511 -7.5511 -7.5419 -7.5419 4.9553 4.9553 7.8938 7.8938 9.0592 9.0592 10.4275 10.4275 10.5323 10.5323 10.9767 10.9767 11.0218 11.0218 11.2745 11.2745 11.3087 11.3087 11.8635 11.8635 11.9259 11.9259 11.9948 11.9948 12.6367 12.6367 12.6936 12.6936 13.2138 13.2138 14.9553 14.9553 15.3572 15.3572 15.4303 15.4303 k = 0.5694-0.1684 0.4082 ( 2492 PWs) bands (ev): -8.5810 -8.5810 -8.5770 -8.5770 -7.5564 -7.5564 -7.5512 -7.5512 -7.5417 -7.5417 4.9451 4.9451 7.8739 7.8739 9.1345 9.1345 10.4556 10.4556 10.5408 10.5408 10.9763 10.9763 11.0016 11.0016 11.2588 11.2588 11.2956 11.2956 11.8820 11.8820 11.9438 11.9438 12.0115 12.0115 12.6273 12.6273 12.6703 12.6703 13.1823 13.1823 14.8832 14.8832 15.3713 15.3713 15.4350 15.4350 k = 0.5625-0.1804 0.4082 ( 2494 PWs) bands (ev): -8.5812 -8.5812 -8.5770 -8.5770 -7.5567 -7.5567 -7.5512 -7.5512 -7.5416 -7.5416 4.9353 4.9353 7.8559 7.8559 9.2060 9.2060 10.4749 10.4749 10.5574 10.5574 10.9564 10.9564 11.0010 11.0010 11.2437 11.2437 11.2830 11.2830 11.9012 11.9012 11.9605 11.9605 12.0296 12.0296 12.6076 12.6076 12.6574 12.6574 13.1524 13.1524 14.8168 14.8168 15.3837 15.3837 15.4407 15.4407 k = 0.5556-0.1925 0.4082 ( 2490 PWs) bands (ev): -8.5813 -8.5813 -8.5769 -8.5769 -7.5570 -7.5570 -7.5513 -7.5513 -7.5414 -7.5414 4.9260 4.9260 7.8399 7.8399 9.2728 9.2728 10.4872 10.4872 10.5798 10.5798 10.9297 10.9297 11.0078 11.0078 11.2293 11.2293 11.2713 11.2713 11.9207 11.9207 11.9754 11.9754 12.0495 12.0495 12.5806 12.5806 12.6520 12.6520 13.1240 13.1240 14.7563 14.7563 15.3944 15.3944 15.4470 15.4470 k = 0.5486-0.2045 0.4082 ( 2486 PWs) bands (ev): -8.5815 -8.5815 -8.5769 -8.5769 -7.5572 -7.5572 -7.5513 -7.5513 -7.5413 -7.5413 4.9175 4.9175 7.8258 7.8258 9.3340 9.3340 10.4968 10.4968 10.6031 10.6031 10.9030 10.9030 11.0160 11.0160 11.2157 11.2157 11.2603 11.2603 11.9402 11.9402 11.9881 11.9881 12.0715 12.0715 12.5511 12.5511 12.6495 12.6495 13.0972 13.0972 14.7021 14.7021 15.4035 15.4035 15.4534 15.4534 k = 0.5417-0.2165 0.4082 ( 2486 PWs) bands (ev): -8.5816 -8.5816 -8.5769 -8.5769 -7.5574 -7.5574 -7.5514 -7.5514 -7.5412 -7.5412 4.9099 4.9099 7.8136 7.8136 9.3889 9.3889 10.5065 10.5065 10.6235 10.6235 10.8779 10.8779 11.0246 11.0246 11.2030 11.2030 11.2504 11.2504 11.9589 11.9589 11.9985 11.9985 12.0951 12.0951 12.5214 12.5214 12.6481 12.6481 13.0722 13.0722 14.6546 14.6546 15.4112 15.4112 15.4597 15.4597 k = 0.5347-0.2285 0.4082 ( 2482 PWs) bands (ev): -8.5817 -8.5817 -8.5769 -8.5769 -7.5576 -7.5576 -7.5514 -7.5514 -7.5411 -7.5411 4.9033 4.9033 7.8033 7.8033 9.4368 9.4368 10.5176 10.5176 10.6384 10.6384 10.8560 10.8560 11.0333 11.0333 11.1912 11.1912 11.2417 11.2417 11.9764 11.9764 12.0070 12.0070 12.1195 12.1195 12.4923 12.4923 12.6472 12.6472 13.0494 13.0494 14.6139 14.6139 15.4176 15.4176 15.4655 15.4655 k = 0.5278-0.2406 0.4082 ( 2482 PWs) bands (ev): -8.5818 -8.5818 -8.5769 -8.5769 -7.5578 -7.5578 -7.5514 -7.5514 -7.5411 -7.5411 4.8978 4.8978 7.7949 7.7949 9.4769 9.4769 10.5307 10.5307 10.6457 10.6457 10.8389 10.8389 11.0416 11.0416 11.1806 11.1806 11.2344 11.2344 11.9922 11.9922 12.0136 12.0136 12.1437 12.1437 12.4649 12.4649 12.6466 12.6466 13.0294 13.0294 14.5803 14.5803 15.4228 15.4228 15.4705 15.4705 k = 0.5208-0.2526 0.4082 ( 2482 PWs) bands (ev): -8.5818 -8.5818 -8.5769 -8.5769 -7.5579 -7.5579 -7.5515 -7.5515 -7.5410 -7.5410 4.8934 4.8934 7.7884 7.7884 9.5087 9.5087 10.5459 10.5459 10.6445 10.6445 10.8276 10.8276 11.0491 11.0491 11.1713 11.1713 11.2285 11.2285 12.0055 12.0055 12.0185 12.0185 12.1663 12.1663 12.4401 12.4401 12.6462 12.6462 13.0128 13.0128 14.5540 14.5540 15.4268 15.4268 15.4746 15.4746 k = 0.5139-0.2646 0.4082 ( 2488 PWs) bands (ev): -8.5819 -8.5819 -8.5769 -8.5769 -7.5580 -7.5580 -7.5515 -7.5515 -7.5410 -7.5410 4.8902 4.8902 7.7837 7.7837 9.5316 9.5316 10.5628 10.5628 10.6354 10.6354 10.8216 10.8216 11.0554 11.0554 11.1639 11.1639 11.2242 11.2242 12.0157 12.0157 12.0219 12.0219 12.1853 12.1853 12.4196 12.4196 12.6459 12.6459 13.0002 13.0002 14.5351 14.5351 15.4297 15.4297 15.4776 15.4776 k = 0.5069-0.2766 0.4082 ( 2488 PWs) bands (ev): -8.5819 -8.5819 -8.5769 -8.5769 -7.5580 -7.5580 -7.5515 -7.5515 -7.5410 -7.5410 4.8883 4.8883 7.7809 7.7809 9.5456 9.5456 10.5807 10.5807 10.6212 10.6212 10.8191 10.8191 11.0596 11.0596 11.1590 11.1590 11.2216 11.2216 12.0222 12.0222 12.0239 12.0239 12.1986 12.1986 12.4055 12.4055 12.6458 12.6458 12.9924 12.9924 14.5237 14.5237 15.4314 15.4314 15.4794 15.4794 k = 0.5000-0.2887 0.4082 ( 2498 PWs) bands (ev): -8.5819 -8.5819 -8.5769 -8.5769 -7.5581 -7.5581 -7.5515 -7.5515 -7.5410 -7.5410 4.8876 4.8876 7.7800 7.7800 9.5502 9.5502 10.5933 10.5933 10.6096 10.6096 10.8184 10.8184 11.0611 11.0611 11.1573 11.1573 11.2207 11.2207 12.0244 12.0244 12.0246 12.0246 12.2034 12.2034 12.4003 12.4003 12.6457 12.6457 12.9896 12.9896 14.5199 14.5199 15.4319 15.4319 15.4800 15.4800 Writing output data file ZrNi2Sn.save init_run : 0.18s CPU 0.28s WALL ( 1 calls) electrons : 113.60s CPU 115.49s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 113.60s CPU 115.48s 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 : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 337 calls) cegterg : 102.15s CPU 103.61s WALL ( 345 calls) Called by sum_band: Called by *egterg: h_psi : 60.93s CPU 61.85s WALL ( 6020 calls) s_psi : 3.03s CPU 3.07s WALL ( 6020 calls) g_psi : 0.12s CPU 0.13s WALL ( 5338 calls) cdiaghg : 39.72s CPU 40.36s WALL ( 5675 calls) cegterg:over : 3.25s CPU 3.35s WALL ( 5338 calls) cegterg:upda : 2.21s CPU 2.24s WALL ( 5338 calls) cegterg:last : 1.43s CPU 1.35s WALL ( 1047 calls) cdiaghg:chol : 2.13s CPU 2.17s WALL ( 5675 calls) cdiaghg:inve : 1.30s CPU 1.48s WALL ( 5675 calls) cdiaghg:para : 2.36s CPU 2.38s WALL ( 11350 calls) Called by h_psi: h_psi:vloc : 53.98s CPU 54.84s WALL ( 6020 calls) h_psi:vnl : 6.83s CPU 6.90s WALL ( 6020 calls) add_vuspsi : 3.68s CPU 3.77s WALL ( 6020 calls) General routines calbec : 3.13s CPU 3.12s WALL ( 6020 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 50.69s CPU 51.67s WALL ( 692248 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.17s WALL ( 674 calls) Parallel routines fft_scatter : 17.00s CPU 17.60s WALL ( 692271 calls) PWSCF : 2m 5.80s CPU 2m16.88s WALL This run was terminated on: 20:29:54 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=