Program PWSCF v.5.1.1 starts on 16Jul2015 at 15:28:26 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./MgCl2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 41 25 7 2383 1135 175 Max 42 26 8 2390 1156 184 Sum 1993 1213 349 114587 54783 8561 bravais-lattice index = 14 lattice parameter (alat) = 8.0469 a.u. unit-cell volume = 895.3194 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.046854 celldm(2)= 1.000000 celldm(3)= 1.718327 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.005314 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.005314 0.999986 0.000000 ) a(3) = ( 0.000000 0.000000 1.718327 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.005314 -0.000000 ) b(2) = ( 0.000000 1.000014 -0.000000 ) b(3) = ( 0.000000 0.000000 0.581961 ) PseudoPot. # 1 for Cl read from file: /home/autes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mg read from file: /home/autes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 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 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Mg 10.00 24.30500 Mg( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) 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 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8591634 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 388 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0093841 0.0094341 -0.0000000), wk = 0.0025773 k( 3) = ( 0.0187682 0.0188682 -0.0000000), wk = 0.0025773 k( 4) = ( 0.0281523 0.0283023 -0.0000000), wk = 0.0025773 k( 5) = ( 0.0375364 0.0377364 -0.0000000), wk = 0.0025773 k( 6) = ( 0.0469205 0.0471705 -0.0000000), wk = 0.0025773 k( 7) = ( 0.0563046 0.0566046 -0.0000000), wk = 0.0025773 k( 8) = ( 0.0656887 0.0660387 -0.0000000), wk = 0.0025773 k( 9) = ( 0.0750728 0.0754728 -0.0000000), wk = 0.0025773 k( 10) = ( 0.0844569 0.0849069 -0.0000000), wk = 0.0025773 k( 11) = ( 0.0938410 0.0943410 -0.0000000), wk = 0.0025773 k( 12) = ( 0.1032251 0.1037751 -0.0000000), wk = 0.0025773 k( 13) = ( 0.1126092 0.1132091 -0.0000000), wk = 0.0025773 k( 14) = ( 0.1219933 0.1226432 -0.0000000), wk = 0.0025773 k( 15) = ( 0.1313774 0.1320773 -0.0000000), wk = 0.0025773 k( 16) = ( 0.1407615 0.1415114 -0.0000000), wk = 0.0025773 k( 17) = ( 0.1501455 0.1509455 -0.0000000), wk = 0.0025773 k( 18) = ( 0.1595296 0.1603796 -0.0000000), wk = 0.0025773 k( 19) = ( 0.1689137 0.1698137 -0.0000000), wk = 0.0025773 k( 20) = ( 0.1782978 0.1792478 -0.0000000), wk = 0.0025773 k( 21) = ( 0.1876819 0.1886819 -0.0000000), wk = 0.0025773 k( 22) = ( 0.1970660 0.1981160 -0.0000000), wk = 0.0025773 k( 23) = ( 0.2064501 0.2075501 -0.0000000), wk = 0.0025773 k( 24) = ( 0.2158342 0.2169842 -0.0000000), wk = 0.0025773 k( 25) = ( 0.2252183 0.2264183 -0.0000000), wk = 0.0025773 k( 26) = ( 0.2346024 0.2358524 -0.0000000), wk = 0.0025773 k( 27) = ( 0.2439865 0.2452865 -0.0000000), wk = 0.0025773 k( 28) = ( 0.2533706 0.2547206 -0.0000000), wk = 0.0025773 k( 29) = ( 0.2627547 0.2641547 -0.0000000), wk = 0.0025773 k( 30) = ( 0.2721388 0.2735888 -0.0000000), wk = 0.0025773 k( 31) = ( 0.2815229 0.2830229 -0.0000000), wk = 0.0025773 k( 32) = ( 0.2909070 0.2924570 -0.0000000), wk = 0.0025773 k( 33) = ( 0.3002911 0.3018911 -0.0000000), wk = 0.0025773 k( 34) = ( 0.3096752 0.3113252 -0.0000000), wk = 0.0025773 k( 35) = ( 0.3190593 0.3207592 -0.0000000), wk = 0.0025773 k( 36) = ( 0.3284434 0.3301933 -0.0000000), wk = 0.0025773 k( 37) = ( 0.3378275 0.3396274 -0.0000000), wk = 0.0025773 k( 38) = ( 0.3472116 0.3490615 -0.0000000), wk = 0.0025773 k( 39) = ( 0.3565957 0.3584956 -0.0000000), wk = 0.0025773 k( 40) = ( 0.3659798 0.3679297 -0.0000000), wk = 0.0025773 k( 41) = ( 0.3753639 0.3773638 -0.0000000), wk = 0.0025773 k( 42) = ( 0.3847480 0.3867979 -0.0000000), wk = 0.0025773 k( 43) = ( 0.3941321 0.3962320 -0.0000000), wk = 0.0025773 k( 44) = ( 0.4035162 0.4056661 -0.0000000), wk = 0.0025773 k( 45) = ( 0.4129003 0.4151002 -0.0000000), wk = 0.0025773 k( 46) = ( 0.4222844 0.4245343 -0.0000000), wk = 0.0025773 k( 47) = ( 0.4316685 0.4339684 -0.0000000), wk = 0.0025773 k( 48) = ( 0.4410526 0.4434025 -0.0000000), wk = 0.0025773 k( 49) = ( 0.4504366 0.4528366 -0.0000000), wk = 0.0025773 k( 50) = ( 0.4598208 0.4622707 -0.0000000), wk = 0.0025773 k( 51) = ( 0.4692049 0.4717048 -0.0000000), wk = 0.0025773 k( 52) = ( 0.4785889 0.4811389 -0.0000000), wk = 0.0025773 k( 53) = ( 0.4879730 0.4905730 -0.0000000), wk = 0.0025773 k( 54) = ( 0.4973571 0.5000071 -0.0000000), wk = 0.0025773 k( 55) = ( 0.4973571 0.5000071 -0.0000000), wk = 0.0025773 k( 56) = ( 0.4839151 0.5000071 -0.0000000), wk = 0.0025773 k( 57) = ( 0.4704730 0.5000071 -0.0000000), wk = 0.0025773 k( 58) = ( 0.4570309 0.5000071 -0.0000000), wk = 0.0025773 k( 59) = ( 0.4435888 0.5000071 -0.0000000), wk = 0.0025773 k( 60) = ( 0.4301467 0.5000071 -0.0000000), wk = 0.0025773 k( 61) = ( 0.4167046 0.5000071 -0.0000000), wk = 0.0025773 k( 62) = ( 0.4032625 0.5000071 -0.0000000), wk = 0.0025773 k( 63) = ( 0.3898205 0.5000071 -0.0000000), wk = 0.0025773 k( 64) = ( 0.3763784 0.5000071 -0.0000000), wk = 0.0025773 k( 65) = ( 0.3629363 0.5000071 -0.0000000), wk = 0.0025773 k( 66) = ( 0.3494942 0.5000071 -0.0000000), wk = 0.0025773 k( 67) = ( 0.3360521 0.5000071 -0.0000000), wk = 0.0025773 k( 68) = ( 0.3226100 0.5000071 -0.0000000), wk = 0.0025773 k( 69) = ( 0.3091680 0.5000071 -0.0000000), wk = 0.0025773 k( 70) = ( 0.2957259 0.5000071 -0.0000000), wk = 0.0025773 k( 71) = ( 0.2822838 0.5000071 -0.0000000), wk = 0.0025773 k( 72) = ( 0.2688417 0.5000071 -0.0000000), wk = 0.0025773 k( 73) = ( 0.2553996 0.5000071 -0.0000000), wk = 0.0025773 k( 74) = ( 0.2419575 0.5000071 -0.0000000), wk = 0.0025773 k( 75) = ( 0.2285154 0.5000071 -0.0000000), wk = 0.0025773 k( 76) = ( 0.2150734 0.5000071 -0.0000000), wk = 0.0025773 k( 77) = ( 0.2016313 0.5000071 -0.0000000), wk = 0.0025773 k( 78) = ( 0.1881892 0.5000071 -0.0000000), wk = 0.0025773 k( 79) = ( 0.1747471 0.5000071 -0.0000000), wk = 0.0025773 k( 80) = ( 0.1613050 0.5000071 -0.0000000), wk = 0.0025773 k( 81) = ( 0.1478629 0.5000071 -0.0000000), wk = 0.0025773 k( 82) = ( 0.1344209 0.5000071 -0.0000000), wk = 0.0025773 k( 83) = ( 0.1209788 0.5000071 -0.0000000), wk = 0.0025773 k( 84) = ( 0.1075367 0.5000071 -0.0000000), wk = 0.0025773 k( 85) = ( 0.0940946 0.5000071 -0.0000000), wk = 0.0025773 k( 86) = ( 0.0806525 0.5000071 -0.0000000), wk = 0.0025773 k( 87) = ( 0.0672104 0.5000071 -0.0000000), wk = 0.0025773 k( 88) = ( 0.0537683 0.5000071 -0.0000000), wk = 0.0025773 k( 89) = ( 0.0403263 0.5000071 -0.0000000), wk = 0.0025773 k( 90) = ( 0.0268842 0.5000071 -0.0000000), wk = 0.0025773 k( 91) = ( 0.0134421 0.5000071 -0.0000000), wk = 0.0025773 k( 92) = ( 0.0000000 0.5000071 -0.0000000), wk = 0.0025773 k( 93) = ( 0.0000000 0.5000071 -0.0000000), wk = 0.0025773 k( 94) = ( 0.0000000 0.5000071 0.0132264), wk = 0.0025773 k( 95) = ( 0.0000000 0.5000071 0.0264528), wk = 0.0025773 k( 96) = ( 0.0000000 0.5000071 0.0396792), wk = 0.0025773 k( 97) = ( 0.0000000 0.5000071 0.0529056), wk = 0.0025773 k( 98) = ( 0.0000000 0.5000071 0.0661320), wk = 0.0025773 k( 99) = ( 0.0000000 0.5000071 0.0793584), wk = 0.0025773 k( 100) = ( 0.0000000 0.5000071 0.0925848), wk = 0.0025773 k( 101) = ( 0.0000000 0.5000071 0.1058112), wk = 0.0025773 k( 102) = ( 0.0000000 0.5000071 0.1190376), wk = 0.0025773 k( 103) = ( 0.0000000 0.5000071 0.1322640), wk = 0.0025773 k( 104) = ( 0.0000000 0.5000071 0.1454904), wk = 0.0025773 k( 105) = ( 0.0000000 0.5000071 0.1587168), wk = 0.0025773 k( 106) = ( 0.0000000 0.5000071 0.1719432), wk = 0.0025773 k( 107) = ( 0.0000000 0.5000071 0.1851696), wk = 0.0025773 k( 108) = ( 0.0000000 0.5000071 0.1983960), wk = 0.0025773 k( 109) = ( 0.0000000 0.5000071 0.2116224), wk = 0.0025773 k( 110) = ( 0.0000000 0.5000071 0.2248488), wk = 0.0025773 k( 111) = ( 0.0000000 0.5000071 0.2380751), wk = 0.0025773 k( 112) = ( 0.0000000 0.5000071 0.2513015), wk = 0.0025773 k( 113) = ( 0.0000000 0.5000071 0.2645279), wk = 0.0025773 k( 114) = ( 0.0000000 0.5000071 0.2777543), wk = 0.0025773 k( 115) = ( 0.0000000 0.5000071 0.2909807), wk = 0.0025773 k( 116) = ( 0.0000000 0.5000071 0.2909807), wk = 0.0025773 k( 117) = ( 0.0134421 0.5000071 0.2909807), wk = 0.0025773 k( 118) = ( 0.0268842 0.5000071 0.2909807), wk = 0.0025773 k( 119) = ( 0.0403263 0.5000071 0.2909807), wk = 0.0025773 k( 120) = ( 0.0537683 0.5000071 0.2909807), wk = 0.0025773 k( 121) = ( 0.0672104 0.5000071 0.2909807), wk = 0.0025773 k( 122) = ( 0.0806525 0.5000071 0.2909807), wk = 0.0025773 k( 123) = ( 0.0940946 0.5000071 0.2909807), wk = 0.0025773 k( 124) = ( 0.1075367 0.5000071 0.2909807), wk = 0.0025773 k( 125) = ( 0.1209788 0.5000071 0.2909807), wk = 0.0025773 k( 126) = ( 0.1344209 0.5000071 0.2909807), wk = 0.0025773 k( 127) = ( 0.1478629 0.5000071 0.2909807), wk = 0.0025773 k( 128) = ( 0.1613050 0.5000071 0.2909807), wk = 0.0025773 k( 129) = ( 0.1747471 0.5000071 0.2909807), wk = 0.0025773 k( 130) = ( 0.1881892 0.5000071 0.2909807), wk = 0.0025773 k( 131) = ( 0.2016313 0.5000071 0.2909807), wk = 0.0025773 k( 132) = ( 0.2150734 0.5000071 0.2909807), wk = 0.0025773 k( 133) = ( 0.2285154 0.5000071 0.2909807), wk = 0.0025773 k( 134) = ( 0.2419575 0.5000071 0.2909807), wk = 0.0025773 k( 135) = ( 0.2553996 0.5000071 0.2909807), wk = 0.0025773 k( 136) = ( 0.2688417 0.5000071 0.2909807), wk = 0.0025773 k( 137) = ( 0.2822838 0.5000071 0.2909807), wk = 0.0025773 k( 138) = ( 0.2957259 0.5000071 0.2909807), wk = 0.0025773 k( 139) = ( 0.3091680 0.5000071 0.2909807), wk = 0.0025773 k( 140) = ( 0.3226100 0.5000071 0.2909807), wk = 0.0025773 k( 141) = ( 0.3360521 0.5000071 0.2909807), wk = 0.0025773 k( 142) = ( 0.3494942 0.5000071 0.2909807), wk = 0.0025773 k( 143) = ( 0.3629363 0.5000071 0.2909807), wk = 0.0025773 k( 144) = ( 0.3763784 0.5000071 0.2909807), wk = 0.0025773 k( 145) = ( 0.3898205 0.5000071 0.2909807), wk = 0.0025773 k( 146) = ( 0.4032625 0.5000071 0.2909807), wk = 0.0025773 k( 147) = ( 0.4167046 0.5000071 0.2909807), wk = 0.0025773 k( 148) = ( 0.4301467 0.5000071 0.2909807), wk = 0.0025773 k( 149) = ( 0.4435888 0.5000071 0.2909807), wk = 0.0025773 k( 150) = ( 0.4570309 0.5000071 0.2909807), wk = 0.0025773 k( 151) = ( 0.4704730 0.5000071 0.2909807), wk = 0.0025773 k( 152) = ( 0.4839151 0.5000071 0.2909807), wk = 0.0025773 k( 153) = ( 0.4973571 0.5000071 0.2909807), wk = 0.0025773 k( 154) = ( 0.4973571 0.5000071 0.2909807), wk = 0.0025773 k( 155) = ( 0.4879730 0.4905730 0.2909807), wk = 0.0025773 k( 156) = ( 0.4785889 0.4811389 0.2909807), wk = 0.0025773 k( 157) = ( 0.4692049 0.4717048 0.2909807), wk = 0.0025773 k( 158) = ( 0.4598208 0.4622707 0.2909807), wk = 0.0025773 k( 159) = ( 0.4504366 0.4528366 0.2909807), wk = 0.0025773 k( 160) = ( 0.4410526 0.4434025 0.2909807), wk = 0.0025773 k( 161) = ( 0.4316685 0.4339684 0.2909807), wk = 0.0025773 k( 162) = ( 0.4222844 0.4245343 0.2909807), wk = 0.0025773 k( 163) = ( 0.4129003 0.4151002 0.2909807), wk = 0.0025773 k( 164) = ( 0.4035162 0.4056661 0.2909807), wk = 0.0025773 k( 165) = ( 0.3941321 0.3962320 0.2909807), wk = 0.0025773 k( 166) = ( 0.3847480 0.3867979 0.2909807), wk = 0.0025773 k( 167) = ( 0.3753639 0.3773638 0.2909807), wk = 0.0025773 k( 168) = ( 0.3659798 0.3679297 0.2909807), wk = 0.0025773 k( 169) = ( 0.3565957 0.3584956 0.2909807), wk = 0.0025773 k( 170) = ( 0.3472116 0.3490615 0.2909807), wk = 0.0025773 k( 171) = ( 0.3378275 0.3396274 0.2909807), wk = 0.0025773 k( 172) = ( 0.3284434 0.3301933 0.2909807), wk = 0.0025773 k( 173) = ( 0.3190593 0.3207592 0.2909807), wk = 0.0025773 k( 174) = ( 0.3096752 0.3113252 0.2909807), wk = 0.0025773 k( 175) = ( 0.3002911 0.3018911 0.2909807), wk = 0.0025773 k( 176) = ( 0.2909070 0.2924570 0.2909807), wk = 0.0025773 k( 177) = ( 0.2815229 0.2830229 0.2909807), wk = 0.0025773 k( 178) = ( 0.2721388 0.2735888 0.2909807), wk = 0.0025773 k( 179) = ( 0.2627547 0.2641547 0.2909807), wk = 0.0025773 k( 180) = ( 0.2533706 0.2547206 0.2909807), wk = 0.0025773 k( 181) = ( 0.2439865 0.2452865 0.2909807), wk = 0.0025773 k( 182) = ( 0.2346024 0.2358524 0.2909807), wk = 0.0025773 k( 183) = ( 0.2252183 0.2264183 0.2909807), wk = 0.0025773 k( 184) = ( 0.2158342 0.2169842 0.2909807), wk = 0.0025773 k( 185) = ( 0.2064501 0.2075501 0.2909807), wk = 0.0025773 k( 186) = ( 0.1970660 0.1981160 0.2909807), wk = 0.0025773 k( 187) = ( 0.1876819 0.1886819 0.2909807), wk = 0.0025773 k( 188) = ( 0.1782978 0.1792478 0.2909807), wk = 0.0025773 k( 189) = ( 0.1689137 0.1698137 0.2909807), wk = 0.0025773 k( 190) = ( 0.1595296 0.1603796 0.2909807), wk = 0.0025773 k( 191) = ( 0.1501455 0.1509455 0.2909807), wk = 0.0025773 k( 192) = ( 0.1407615 0.1415114 0.2909807), wk = 0.0025773 k( 193) = ( 0.1313774 0.1320773 0.2909807), wk = 0.0025773 k( 194) = ( 0.1219933 0.1226432 0.2909807), wk = 0.0025773 k( 195) = ( 0.1126092 0.1132091 0.2909807), wk = 0.0025773 k( 196) = ( 0.1032251 0.1037751 0.2909807), wk = 0.0025773 k( 197) = ( 0.0938410 0.0943410 0.2909807), wk = 0.0025773 k( 198) = ( 0.0844569 0.0849069 0.2909807), wk = 0.0025773 k( 199) = ( 0.0750728 0.0754728 0.2909807), wk = 0.0025773 k( 200) = ( 0.0656887 0.0660387 0.2909807), wk = 0.0025773 k( 201) = ( 0.0563046 0.0566046 0.2909807), wk = 0.0025773 k( 202) = ( 0.0469205 0.0471705 0.2909807), wk = 0.0025773 k( 203) = ( 0.0375364 0.0377364 0.2909807), wk = 0.0025773 k( 204) = ( 0.0281523 0.0283023 0.2909807), wk = 0.0025773 k( 205) = ( 0.0187682 0.0188682 0.2909807), wk = 0.0025773 k( 206) = ( 0.0093841 0.0094341 0.2909807), wk = 0.0025773 k( 207) = ( 0.0000000 0.0000000 0.2909807), wk = 0.0025773 k( 208) = ( 0.0000000 0.0000000 0.2909807), wk = 0.0025773 k( 209) = ( 0.0000000 0.0000000 0.2777543), wk = 0.0025773 k( 210) = ( 0.0000000 0.0000000 0.2645279), wk = 0.0025773 k( 211) = ( 0.0000000 0.0000000 0.2513015), wk = 0.0025773 k( 212) = ( 0.0000000 0.0000000 0.2380751), wk = 0.0025773 k( 213) = ( 0.0000000 0.0000000 0.2248488), wk = 0.0025773 k( 214) = ( 0.0000000 0.0000000 0.2116224), wk = 0.0025773 k( 215) = ( 0.0000000 0.0000000 0.1983960), wk = 0.0025773 k( 216) = ( 0.0000000 0.0000000 0.1851696), wk = 0.0025773 k( 217) = ( 0.0000000 0.0000000 0.1719432), wk = 0.0025773 k( 218) = ( 0.0000000 0.0000000 0.1587168), wk = 0.0025773 k( 219) = ( 0.0000000 0.0000000 0.1454904), wk = 0.0025773 k( 220) = ( 0.0000000 0.0000000 0.1322640), wk = 0.0025773 k( 221) = ( 0.0000000 0.0000000 0.1190376), wk = 0.0025773 k( 222) = ( 0.0000000 0.0000000 0.1058112), wk = 0.0025773 k( 223) = ( 0.0000000 0.0000000 0.0925848), wk = 0.0025773 k( 224) = ( 0.0000000 0.0000000 0.0793584), wk = 0.0025773 k( 225) = ( 0.0000000 0.0000000 0.0661320), wk = 0.0025773 k( 226) = ( 0.0000000 0.0000000 0.0529056), wk = 0.0025773 k( 227) = ( 0.0000000 0.0000000 0.0396792), wk = 0.0025773 k( 228) = ( 0.0000000 0.0000000 0.0264528), wk = 0.0025773 k( 229) = ( 0.0000000 0.0000000 0.0132264), wk = 0.0025773 k( 230) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 231) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 232) = ( -0.0094340 0.0093840 0.0000000), wk = 0.0025773 k( 233) = ( -0.0188679 0.0187679 0.0000000), wk = 0.0025773 k( 234) = ( -0.0283019 0.0281519 0.0000000), wk = 0.0025773 k( 235) = ( -0.0377359 0.0375359 0.0000000), wk = 0.0025773 k( 236) = ( -0.0471698 0.0469198 0.0000000), wk = 0.0025773 k( 237) = ( -0.0566038 0.0563038 0.0000000), wk = 0.0025773 k( 238) = ( -0.0660377 0.0656878 0.0000000), wk = 0.0025773 k( 239) = ( -0.0754717 0.0750717 0.0000000), wk = 0.0025773 k( 240) = ( -0.0849057 0.0844557 0.0000000), wk = 0.0025773 k( 241) = ( -0.0943396 0.0938396 0.0000000), wk = 0.0025773 k( 242) = ( -0.1037736 0.1032236 0.0000000), wk = 0.0025773 k( 243) = ( -0.1132076 0.1126076 0.0000000), wk = 0.0025773 k( 244) = ( -0.1226415 0.1219915 0.0000000), wk = 0.0025773 k( 245) = ( -0.1320755 0.1313755 0.0000000), wk = 0.0025773 k( 246) = ( -0.1415094 0.1407595 0.0000000), wk = 0.0025773 k( 247) = ( -0.1509434 0.1501434 0.0000000), wk = 0.0025773 k( 248) = ( -0.1603774 0.1595274 0.0000000), wk = 0.0025773 k( 249) = ( -0.1698113 0.1689114 0.0000000), wk = 0.0025773 k( 250) = ( -0.1792453 0.1782953 0.0000000), wk = 0.0025773 k( 251) = ( -0.1886792 0.1876793 0.0000000), wk = 0.0025773 k( 252) = ( -0.1981132 0.1970633 0.0000000), wk = 0.0025773 k( 253) = ( -0.2075472 0.2064472 0.0000000), wk = 0.0025773 k( 254) = ( -0.2169811 0.2158312 0.0000000), wk = 0.0025773 k( 255) = ( -0.2264151 0.2252151 0.0000000), wk = 0.0025773 k( 256) = ( -0.2358491 0.2345991 0.0000000), wk = 0.0025773 k( 257) = ( -0.2452830 0.2439831 0.0000000), wk = 0.0025773 k( 258) = ( -0.2547170 0.2533670 0.0000000), wk = 0.0025773 k( 259) = ( -0.2641509 0.2627510 0.0000000), wk = 0.0025773 k( 260) = ( -0.2735849 0.2721350 0.0000000), wk = 0.0025773 k( 261) = ( -0.2830189 0.2815189 0.0000000), wk = 0.0025773 k( 262) = ( -0.2924528 0.2909029 0.0000000), wk = 0.0025773 k( 263) = ( -0.3018868 0.3002869 0.0000000), wk = 0.0025773 k( 264) = ( -0.3113207 0.3096708 0.0000000), wk = 0.0025773 k( 265) = ( -0.3207547 0.3190548 0.0000000), wk = 0.0025773 k( 266) = ( -0.3301887 0.3284388 0.0000000), wk = 0.0025773 k( 267) = ( -0.3396226 0.3378227 0.0000000), wk = 0.0025773 k( 268) = ( -0.3490566 0.3472067 0.0000000), wk = 0.0025773 k( 269) = ( -0.3584906 0.3565907 0.0000000), wk = 0.0025773 k( 270) = ( -0.3679245 0.3659746 0.0000000), wk = 0.0025773 k( 271) = ( -0.3773585 0.3753586 0.0000000), wk = 0.0025773 k( 272) = ( -0.3867925 0.3847425 0.0000000), wk = 0.0025773 k( 273) = ( -0.3962264 0.3941265 0.0000000), wk = 0.0025773 k( 274) = ( -0.4056604 0.4035105 0.0000000), wk = 0.0025773 k( 275) = ( -0.4150943 0.4128944 0.0000000), wk = 0.0025773 k( 276) = ( -0.4245283 0.4222784 0.0000000), wk = 0.0025773 k( 277) = ( -0.4339623 0.4316624 0.0000000), wk = 0.0025773 k( 278) = ( -0.4433962 0.4410463 0.0000000), wk = 0.0025773 k( 279) = ( -0.4528302 0.4504303 0.0000000), wk = 0.0025773 k( 280) = ( -0.4622641 0.4598143 0.0000000), wk = 0.0025773 k( 281) = ( -0.4716981 0.4691982 0.0000000), wk = 0.0025773 k( 282) = ( -0.4811321 0.4785822 0.0000000), wk = 0.0025773 k( 283) = ( -0.4905660 0.4879662 0.0000000), wk = 0.0025773 k( 284) = ( -0.5000000 0.4973501 0.0000000), wk = 0.0025773 k( 285) = ( -0.5000000 0.4973501 0.0000000), wk = 0.0025773 k( 286) = ( -0.4973571 0.5000071 -0.0000000), wk = 0.0025773 k( 287) = ( -0.4973571 0.5000071 -0.0000000), wk = 0.0025773 k( 288) = ( -0.4973571 0.5000071 0.0132264), wk = 0.0025773 k( 289) = ( -0.4973571 0.5000071 0.0264528), wk = 0.0025773 k( 290) = ( -0.4973571 0.5000071 0.0396792), wk = 0.0025773 k( 291) = ( -0.4973571 0.5000071 0.0529056), wk = 0.0025773 k( 292) = ( -0.4973571 0.5000071 0.0661320), wk = 0.0025773 k( 293) = ( -0.4973571 0.5000071 0.0793584), wk = 0.0025773 k( 294) = ( -0.4973571 0.5000071 0.0925848), wk = 0.0025773 k( 295) = ( -0.4973571 0.5000071 0.1058112), wk = 0.0025773 k( 296) = ( -0.4973571 0.5000071 0.1190376), wk = 0.0025773 k( 297) = ( -0.4973571 0.5000071 0.1322640), wk = 0.0025773 k( 298) = ( -0.4973571 0.5000071 0.1454904), wk = 0.0025773 k( 299) = ( -0.4973571 0.5000071 0.1587168), wk = 0.0025773 k( 300) = ( -0.4973571 0.5000071 0.1719432), wk = 0.0025773 k( 301) = ( -0.4973571 0.5000071 0.1851696), wk = 0.0025773 k( 302) = ( -0.4973571 0.5000071 0.1983960), wk = 0.0025773 k( 303) = ( -0.4973571 0.5000071 0.2116224), wk = 0.0025773 k( 304) = ( -0.4973571 0.5000071 0.2248488), wk = 0.0025773 k( 305) = ( -0.4973571 0.5000071 0.2380751), wk = 0.0025773 k( 306) = ( -0.4973571 0.5000071 0.2513015), wk = 0.0025773 k( 307) = ( -0.4973571 0.5000071 0.2645279), wk = 0.0025773 k( 308) = ( -0.4973571 0.5000071 0.2777543), wk = 0.0025773 k( 309) = ( -0.4973571 0.5000071 0.2909807), wk = 0.0025773 k( 310) = ( -0.4973571 0.5000071 0.2909807), wk = 0.0025773 k( 311) = ( -0.5000000 0.4973501 0.2909807), wk = 0.0025773 k( 312) = ( -0.5000000 0.4973501 0.2909807), wk = 0.0025773 k( 313) = ( -0.5000000 0.4973501 0.2777543), wk = 0.0025773 k( 314) = ( -0.5000000 0.4973501 0.2645279), wk = 0.0025773 k( 315) = ( -0.5000000 0.4973501 0.2513015), wk = 0.0025773 k( 316) = ( -0.5000000 0.4973501 0.2380751), wk = 0.0025773 k( 317) = ( -0.5000000 0.4973501 0.2248488), wk = 0.0025773 k( 318) = ( -0.5000000 0.4973501 0.2116224), wk = 0.0025773 k( 319) = ( -0.5000000 0.4973501 0.1983960), wk = 0.0025773 k( 320) = ( -0.5000000 0.4973501 0.1851696), wk = 0.0025773 k( 321) = ( -0.5000000 0.4973501 0.1719432), wk = 0.0025773 k( 322) = ( -0.5000000 0.4973501 0.1587168), wk = 0.0025773 k( 323) = ( -0.5000000 0.4973501 0.1454904), wk = 0.0025773 k( 324) = ( -0.5000000 0.4973501 0.1322640), wk = 0.0025773 k( 325) = ( -0.5000000 0.4973501 0.1190376), wk = 0.0025773 k( 326) = ( -0.5000000 0.4973501 0.1058112), wk = 0.0025773 k( 327) = ( -0.5000000 0.4973501 0.0925848), wk = 0.0025773 k( 328) = ( -0.5000000 0.4973501 0.0793584), wk = 0.0025773 k( 329) = ( -0.5000000 0.4973501 0.0661320), wk = 0.0025773 k( 330) = ( -0.5000000 0.4973501 0.0529056), wk = 0.0025773 k( 331) = ( -0.5000000 0.4973501 0.0396792), wk = 0.0025773 k( 332) = ( -0.5000000 0.4973501 0.0264528), wk = 0.0025773 k( 333) = ( -0.5000000 0.4973501 0.0132264), wk = 0.0025773 k( 334) = ( -0.5000000 0.4973501 0.0000000), wk = 0.0025773 k( 335) = ( 0.0000000 0.0000000 0.2909807), wk = 0.0025773 k( 336) = ( -0.0094340 0.0093840 0.2909807), wk = 0.0025773 k( 337) = ( -0.0188679 0.0187679 0.2909807), wk = 0.0025773 k( 338) = ( -0.0283019 0.0281519 0.2909807), wk = 0.0025773 k( 339) = ( -0.0377359 0.0375359 0.2909807), wk = 0.0025773 k( 340) = ( -0.0471698 0.0469198 0.2909807), wk = 0.0025773 k( 341) = ( -0.0566038 0.0563038 0.2909807), wk = 0.0025773 k( 342) = ( -0.0660377 0.0656878 0.2909807), wk = 0.0025773 k( 343) = ( -0.0754717 0.0750717 0.2909807), wk = 0.0025773 k( 344) = ( -0.0849057 0.0844557 0.2909807), wk = 0.0025773 k( 345) = ( -0.0943396 0.0938396 0.2909807), wk = 0.0025773 k( 346) = ( -0.1037736 0.1032236 0.2909807), wk = 0.0025773 k( 347) = ( -0.1132076 0.1126076 0.2909807), wk = 0.0025773 k( 348) = ( -0.1226415 0.1219915 0.2909807), wk = 0.0025773 k( 349) = ( -0.1320755 0.1313755 0.2909807), wk = 0.0025773 k( 350) = ( -0.1415094 0.1407595 0.2909807), wk = 0.0025773 k( 351) = ( -0.1509434 0.1501434 0.2909807), wk = 0.0025773 k( 352) = ( -0.1603774 0.1595274 0.2909807), wk = 0.0025773 k( 353) = ( -0.1698113 0.1689114 0.2909807), wk = 0.0025773 k( 354) = ( -0.1792453 0.1782953 0.2909807), wk = 0.0025773 k( 355) = ( -0.1886792 0.1876793 0.2909807), wk = 0.0025773 k( 356) = ( -0.1981132 0.1970633 0.2909807), wk = 0.0025773 k( 357) = ( -0.2075472 0.2064472 0.2909807), wk = 0.0025773 k( 358) = ( -0.2169811 0.2158312 0.2909807), wk = 0.0025773 k( 359) = ( -0.2264151 0.2252151 0.2909807), wk = 0.0025773 k( 360) = ( -0.2358491 0.2345991 0.2909807), wk = 0.0025773 k( 361) = ( -0.2452830 0.2439831 0.2909807), wk = 0.0025773 k( 362) = ( -0.2547170 0.2533670 0.2909807), wk = 0.0025773 k( 363) = ( -0.2641509 0.2627510 0.2909807), wk = 0.0025773 k( 364) = ( -0.2735849 0.2721350 0.2909807), wk = 0.0025773 k( 365) = ( -0.2830189 0.2815189 0.2909807), wk = 0.0025773 k( 366) = ( -0.2924528 0.2909029 0.2909807), wk = 0.0025773 k( 367) = ( -0.3018868 0.3002869 0.2909807), wk = 0.0025773 k( 368) = ( -0.3113207 0.3096708 0.2909807), wk = 0.0025773 k( 369) = ( -0.3207547 0.3190548 0.2909807), wk = 0.0025773 k( 370) = ( -0.3301887 0.3284388 0.2909807), wk = 0.0025773 k( 371) = ( -0.3396226 0.3378227 0.2909807), wk = 0.0025773 k( 372) = ( -0.3490566 0.3472067 0.2909807), wk = 0.0025773 k( 373) = ( -0.3584906 0.3565907 0.2909807), wk = 0.0025773 k( 374) = ( -0.3679245 0.3659746 0.2909807), wk = 0.0025773 k( 375) = ( -0.3773585 0.3753586 0.2909807), wk = 0.0025773 k( 376) = ( -0.3867925 0.3847425 0.2909807), wk = 0.0025773 k( 377) = ( -0.3962264 0.3941265 0.2909807), wk = 0.0025773 k( 378) = ( -0.4056604 0.4035105 0.2909807), wk = 0.0025773 k( 379) = ( -0.4150943 0.4128944 0.2909807), wk = 0.0025773 k( 380) = ( -0.4245283 0.4222784 0.2909807), wk = 0.0025773 k( 381) = ( -0.4339623 0.4316624 0.2909807), wk = 0.0025773 k( 382) = ( -0.4433962 0.4410463 0.2909807), wk = 0.0025773 k( 383) = ( -0.4528302 0.4504303 0.2909807), wk = 0.0025773 k( 384) = ( -0.4622641 0.4598143 0.2909807), wk = 0.0025773 k( 385) = ( -0.4716981 0.4691982 0.2909807), wk = 0.0025773 k( 386) = ( -0.4811321 0.4785822 0.2909807), wk = 0.0025773 k( 387) = ( -0.4905660 0.4879662 0.2909807), wk = 0.0025773 k( 388) = ( -0.5000000 0.4973501 0.2909807), wk = 0.0025773 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0093841 0.0093841 0.0000000), wk = 0.0025773 k( 3) = ( 0.0187682 0.0187682 0.0000000), wk = 0.0025773 k( 4) = ( 0.0281523 0.0281523 0.0000000), wk = 0.0025773 k( 5) = ( 0.0375364 0.0375364 0.0000000), wk = 0.0025773 k( 6) = ( 0.0469205 0.0469205 0.0000000), wk = 0.0025773 k( 7) = ( 0.0563046 0.0563046 0.0000000), wk = 0.0025773 k( 8) = ( 0.0656887 0.0656887 0.0000000), wk = 0.0025773 k( 9) = ( 0.0750728 0.0750728 0.0000000), wk = 0.0025773 k( 10) = ( 0.0844569 0.0844569 0.0000000), wk = 0.0025773 k( 11) = ( 0.0938410 0.0938410 0.0000000), wk = 0.0025773 k( 12) = ( 0.1032251 0.1032251 0.0000000), wk = 0.0025773 k( 13) = ( 0.1126092 0.1126092 0.0000000), wk = 0.0025773 k( 14) = ( 0.1219933 0.1219933 0.0000000), wk = 0.0025773 k( 15) = ( 0.1313774 0.1313774 0.0000000), wk = 0.0025773 k( 16) = ( 0.1407615 0.1407615 0.0000000), wk = 0.0025773 k( 17) = ( 0.1501455 0.1501455 0.0000000), wk = 0.0025773 k( 18) = ( 0.1595296 0.1595296 -0.0000000), wk = 0.0025773 k( 19) = ( 0.1689137 0.1689137 0.0000000), wk = 0.0025773 k( 20) = ( 0.1782978 0.1782978 0.0000000), wk = 0.0025773 k( 21) = ( 0.1876819 0.1876819 0.0000000), wk = 0.0025773 k( 22) = ( 0.1970660 0.1970660 0.0000000), wk = 0.0025773 k( 23) = ( 0.2064501 0.2064501 0.0000000), wk = 0.0025773 k( 24) = ( 0.2158342 0.2158342 0.0000000), wk = 0.0025773 k( 25) = ( 0.2252183 0.2252183 0.0000000), wk = 0.0025773 k( 26) = ( 0.2346024 0.2346024 0.0000000), wk = 0.0025773 k( 27) = ( 0.2439865 0.2439865 0.0000000), wk = 0.0025773 k( 28) = ( 0.2533706 0.2533706 0.0000000), wk = 0.0025773 k( 29) = ( 0.2627547 0.2627547 -0.0000000), wk = 0.0025773 k( 30) = ( 0.2721388 0.2721388 0.0000000), wk = 0.0025773 k( 31) = ( 0.2815229 0.2815229 0.0000000), wk = 0.0025773 k( 32) = ( 0.2909070 0.2909070 0.0000000), wk = 0.0025773 k( 33) = ( 0.3002911 0.3002911 0.0000000), wk = 0.0025773 k( 34) = ( 0.3096752 0.3096752 0.0000000), wk = 0.0025773 k( 35) = ( 0.3190593 0.3190593 -0.0000000), wk = 0.0025773 k( 36) = ( 0.3284434 0.3284434 0.0000000), wk = 0.0025773 k( 37) = ( 0.3378275 0.3378275 0.0000000), wk = 0.0025773 k( 38) = ( 0.3472116 0.3472116 0.0000000), wk = 0.0025773 k( 39) = ( 0.3565957 0.3565957 0.0000000), wk = 0.0025773 k( 40) = ( 0.3659798 0.3659798 0.0000000), wk = 0.0025773 k( 41) = ( 0.3753639 0.3753639 0.0000000), wk = 0.0025773 k( 42) = ( 0.3847480 0.3847480 0.0000000), wk = 0.0025773 k( 43) = ( 0.3941321 0.3941321 -0.0000000), wk = 0.0025773 k( 44) = ( 0.4035162 0.4035162 -0.0000000), wk = 0.0025773 k( 45) = ( 0.4129003 0.4129003 0.0000000), wk = 0.0025773 k( 46) = ( 0.4222844 0.4222844 0.0000000), wk = 0.0025773 k( 47) = ( 0.4316685 0.4316685 0.0000000), wk = 0.0025773 k( 48) = ( 0.4410526 0.4410526 -0.0000000), wk = 0.0025773 k( 49) = ( 0.4504366 0.4504366 0.0000000), wk = 0.0025773 k( 50) = ( 0.4598208 0.4598208 0.0000000), wk = 0.0025773 k( 51) = ( 0.4692049 0.4692049 0.0000000), wk = 0.0025773 k( 52) = ( 0.4785889 0.4785889 0.0000000), wk = 0.0025773 k( 53) = ( 0.4879730 0.4879730 0.0000000), wk = 0.0025773 k( 54) = ( 0.4973571 0.4973571 0.0000000), wk = 0.0025773 k( 55) = ( 0.4973571 0.4973571 0.0000000), wk = 0.0025773 k( 56) = ( 0.4839151 0.4974286 0.0000000), wk = 0.0025773 k( 57) = ( 0.4704730 0.4975000 0.0000000), wk = 0.0025773 k( 58) = ( 0.4570309 0.4975714 0.0000000), wk = 0.0025773 k( 59) = ( 0.4435888 0.4976428 0.0000000), wk = 0.0025773 k( 60) = ( 0.4301467 0.4977143 0.0000000), wk = 0.0025773 k( 61) = ( 0.4167046 0.4977857 0.0000000), wk = 0.0025773 k( 62) = ( 0.4032625 0.4978571 0.0000000), wk = 0.0025773 k( 63) = ( 0.3898205 0.4979286 0.0000000), wk = 0.0025773 k( 64) = ( 0.3763784 0.4980000 0.0000000), wk = 0.0025773 k( 65) = ( 0.3629363 0.4980714 0.0000000), wk = 0.0025773 k( 66) = ( 0.3494942 0.4981429 0.0000000), wk = 0.0025773 k( 67) = ( 0.3360521 0.4982143 0.0000000), wk = 0.0025773 k( 68) = ( 0.3226100 0.4982857 0.0000000), wk = 0.0025773 k( 69) = ( 0.3091680 0.4983571 0.0000000), wk = 0.0025773 k( 70) = ( 0.2957259 0.4984286 0.0000000), wk = 0.0025773 k( 71) = ( 0.2822838 0.4985000 0.0000000), wk = 0.0025773 k( 72) = ( 0.2688417 0.4985714 0.0000000), wk = 0.0025773 k( 73) = ( 0.2553996 0.4986429 0.0000000), wk = 0.0025773 k( 74) = ( 0.2419575 0.4987143 0.0000000), wk = 0.0025773 k( 75) = ( 0.2285154 0.4987857 0.0000000), wk = 0.0025773 k( 76) = ( 0.2150734 0.4988571 -0.0000000), wk = 0.0025773 k( 77) = ( 0.2016313 0.4989286 0.0000000), wk = 0.0025773 k( 78) = ( 0.1881892 0.4990000 0.0000000), wk = 0.0025773 k( 79) = ( 0.1747471 0.4990714 -0.0000000), wk = 0.0025773 k( 80) = ( 0.1613050 0.4991429 0.0000000), wk = 0.0025773 k( 81) = ( 0.1478629 0.4992143 0.0000000), wk = 0.0025773 k( 82) = ( 0.1344209 0.4992857 0.0000000), wk = 0.0025773 k( 83) = ( 0.1209788 0.4993571 0.0000000), wk = 0.0025773 k( 84) = ( 0.1075367 0.4994286 -0.0000000), wk = 0.0025773 k( 85) = ( 0.0940946 0.4995000 -0.0000000), wk = 0.0025773 k( 86) = ( 0.0806525 0.4995714 0.0000000), wk = 0.0025773 k( 87) = ( 0.0672104 0.4996429 0.0000000), wk = 0.0025773 k( 88) = ( 0.0537683 0.4997143 0.0000000), wk = 0.0025773 k( 89) = ( 0.0403263 0.4997857 -0.0000000), wk = 0.0025773 k( 90) = ( 0.0268842 0.4998571 -0.0000000), wk = 0.0025773 k( 91) = ( 0.0134421 0.4999286 0.0000000), wk = 0.0025773 k( 92) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025773 k( 93) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025773 k( 94) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0025773 k( 95) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0025773 k( 96) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0025773 k( 97) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0025773 k( 98) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0025773 k( 99) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0025773 k( 100) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0025773 k( 101) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0025773 k( 102) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0025773 k( 103) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0025773 k( 104) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025773 k( 105) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0025773 k( 106) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0025773 k( 107) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0025773 k( 108) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0025773 k( 109) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0025773 k( 110) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0025773 k( 111) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0025773 k( 112) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0025773 k( 113) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0025773 k( 114) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0025773 k( 115) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025773 k( 116) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025773 k( 117) = ( 0.0134421 0.4999286 0.5000000), wk = 0.0025773 k( 118) = ( 0.0268842 0.4998571 0.5000000), wk = 0.0025773 k( 119) = ( 0.0403263 0.4997857 0.5000000), wk = 0.0025773 k( 120) = ( 0.0537683 0.4997143 0.5000000), wk = 0.0025773 k( 121) = ( 0.0672104 0.4996429 0.5000000), wk = 0.0025773 k( 122) = ( 0.0806525 0.4995714 0.5000000), wk = 0.0025773 k( 123) = ( 0.0940946 0.4995000 0.5000000), wk = 0.0025773 k( 124) = ( 0.1075367 0.4994286 0.5000000), wk = 0.0025773 k( 125) = ( 0.1209788 0.4993571 0.5000000), wk = 0.0025773 k( 126) = ( 0.1344209 0.4992857 0.5000000), wk = 0.0025773 k( 127) = ( 0.1478629 0.4992143 0.5000000), wk = 0.0025773 k( 128) = ( 0.1613050 0.4991429 0.5000000), wk = 0.0025773 k( 129) = ( 0.1747471 0.4990714 0.5000000), wk = 0.0025773 k( 130) = ( 0.1881892 0.4990000 0.5000000), wk = 0.0025773 k( 131) = ( 0.2016313 0.4989286 0.5000000), wk = 0.0025773 k( 132) = ( 0.2150734 0.4988571 0.5000000), wk = 0.0025773 k( 133) = ( 0.2285154 0.4987857 0.5000000), wk = 0.0025773 k( 134) = ( 0.2419575 0.4987143 0.5000000), wk = 0.0025773 k( 135) = ( 0.2553996 0.4986429 0.5000000), wk = 0.0025773 k( 136) = ( 0.2688417 0.4985714 0.5000000), wk = 0.0025773 k( 137) = ( 0.2822838 0.4985000 0.5000000), wk = 0.0025773 k( 138) = ( 0.2957259 0.4984286 0.5000000), wk = 0.0025773 k( 139) = ( 0.3091680 0.4983571 0.5000000), wk = 0.0025773 k( 140) = ( 0.3226100 0.4982857 0.5000000), wk = 0.0025773 k( 141) = ( 0.3360521 0.4982143 0.5000000), wk = 0.0025773 k( 142) = ( 0.3494942 0.4981429 0.5000000), wk = 0.0025773 k( 143) = ( 0.3629363 0.4980714 0.5000000), wk = 0.0025773 k( 144) = ( 0.3763784 0.4980000 0.5000000), wk = 0.0025773 k( 145) = ( 0.3898205 0.4979286 0.5000000), wk = 0.0025773 k( 146) = ( 0.4032625 0.4978571 0.5000000), wk = 0.0025773 k( 147) = ( 0.4167046 0.4977857 0.5000000), wk = 0.0025773 k( 148) = ( 0.4301467 0.4977143 0.5000000), wk = 0.0025773 k( 149) = ( 0.4435888 0.4976428 0.5000000), wk = 0.0025773 k( 150) = ( 0.4570309 0.4975714 0.5000000), wk = 0.0025773 k( 151) = ( 0.4704730 0.4975000 0.5000000), wk = 0.0025773 k( 152) = ( 0.4839151 0.4974286 0.5000000), wk = 0.0025773 k( 153) = ( 0.4973571 0.4973571 0.5000000), wk = 0.0025773 k( 154) = ( 0.4973571 0.4973571 0.5000000), wk = 0.0025773 k( 155) = ( 0.4879730 0.4879730 0.5000000), wk = 0.0025773 k( 156) = ( 0.4785889 0.4785889 0.5000000), wk = 0.0025773 k( 157) = ( 0.4692049 0.4692049 0.5000000), wk = 0.0025773 k( 158) = ( 0.4598208 0.4598208 0.5000000), wk = 0.0025773 k( 159) = ( 0.4504366 0.4504366 0.5000000), wk = 0.0025773 k( 160) = ( 0.4410526 0.4410526 0.5000000), wk = 0.0025773 k( 161) = ( 0.4316685 0.4316685 0.5000000), wk = 0.0025773 k( 162) = ( 0.4222844 0.4222844 0.5000000), wk = 0.0025773 k( 163) = ( 0.4129003 0.4129003 0.5000000), wk = 0.0025773 k( 164) = ( 0.4035162 0.4035162 0.5000000), wk = 0.0025773 k( 165) = ( 0.3941321 0.3941321 0.5000000), wk = 0.0025773 k( 166) = ( 0.3847480 0.3847480 0.5000000), wk = 0.0025773 k( 167) = ( 0.3753639 0.3753639 0.5000000), wk = 0.0025773 k( 168) = ( 0.3659798 0.3659798 0.5000000), wk = 0.0025773 k( 169) = ( 0.3565957 0.3565957 0.5000000), wk = 0.0025773 k( 170) = ( 0.3472116 0.3472116 0.5000000), wk = 0.0025773 k( 171) = ( 0.3378275 0.3378275 0.5000000), wk = 0.0025773 k( 172) = ( 0.3284434 0.3284434 0.5000000), wk = 0.0025773 k( 173) = ( 0.3190593 0.3190593 0.5000000), wk = 0.0025773 k( 174) = ( 0.3096752 0.3096752 0.5000000), wk = 0.0025773 k( 175) = ( 0.3002911 0.3002911 0.5000000), wk = 0.0025773 k( 176) = ( 0.2909070 0.2909070 0.5000000), wk = 0.0025773 k( 177) = ( 0.2815229 0.2815229 0.5000000), wk = 0.0025773 k( 178) = ( 0.2721388 0.2721388 0.5000000), wk = 0.0025773 k( 179) = ( 0.2627547 0.2627547 0.5000000), wk = 0.0025773 k( 180) = ( 0.2533706 0.2533706 0.5000000), wk = 0.0025773 k( 181) = ( 0.2439865 0.2439865 0.5000000), wk = 0.0025773 k( 182) = ( 0.2346024 0.2346024 0.5000000), wk = 0.0025773 k( 183) = ( 0.2252183 0.2252183 0.5000000), wk = 0.0025773 k( 184) = ( 0.2158342 0.2158342 0.5000000), wk = 0.0025773 k( 185) = ( 0.2064501 0.2064501 0.5000000), wk = 0.0025773 k( 186) = ( 0.1970660 0.1970660 0.5000000), wk = 0.0025773 k( 187) = ( 0.1876819 0.1876819 0.5000000), wk = 0.0025773 k( 188) = ( 0.1782978 0.1782978 0.5000000), wk = 0.0025773 k( 189) = ( 0.1689137 0.1689137 0.5000000), wk = 0.0025773 k( 190) = ( 0.1595296 0.1595296 0.5000000), wk = 0.0025773 k( 191) = ( 0.1501455 0.1501455 0.5000000), wk = 0.0025773 k( 192) = ( 0.1407615 0.1407615 0.5000000), wk = 0.0025773 k( 193) = ( 0.1313774 0.1313774 0.5000000), wk = 0.0025773 k( 194) = ( 0.1219933 0.1219933 0.5000000), wk = 0.0025773 k( 195) = ( 0.1126092 0.1126092 0.5000000), wk = 0.0025773 k( 196) = ( 0.1032251 0.1032251 0.5000000), wk = 0.0025773 k( 197) = ( 0.0938410 0.0938410 0.5000000), wk = 0.0025773 k( 198) = ( 0.0844569 0.0844569 0.5000000), wk = 0.0025773 k( 199) = ( 0.0750728 0.0750728 0.5000000), wk = 0.0025773 k( 200) = ( 0.0656887 0.0656887 0.5000000), wk = 0.0025773 k( 201) = ( 0.0563046 0.0563046 0.5000000), wk = 0.0025773 k( 202) = ( 0.0469205 0.0469205 0.5000000), wk = 0.0025773 k( 203) = ( 0.0375364 0.0375364 0.5000000), wk = 0.0025773 k( 204) = ( 0.0281523 0.0281523 0.5000000), wk = 0.0025773 k( 205) = ( 0.0187682 0.0187682 0.5000000), wk = 0.0025773 k( 206) = ( 0.0093841 0.0093841 0.5000000), wk = 0.0025773 k( 207) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 208) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 209) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0025773 k( 210) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0025773 k( 211) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0025773 k( 212) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0025773 k( 213) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0025773 k( 214) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0025773 k( 215) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0025773 k( 216) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0025773 k( 217) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0025773 k( 218) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0025773 k( 219) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025773 k( 220) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0025773 k( 221) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0025773 k( 222) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0025773 k( 223) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0025773 k( 224) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0025773 k( 225) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0025773 k( 226) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0025773 k( 227) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0025773 k( 228) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0025773 k( 229) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0025773 k( 230) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 231) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 232) = ( -0.0094340 0.0094340 -0.0000000), wk = 0.0025773 k( 233) = ( -0.0188679 0.0188679 -0.0000000), wk = 0.0025773 k( 234) = ( -0.0283019 0.0283019 -0.0000000), wk = 0.0025773 k( 235) = ( -0.0377359 0.0377359 -0.0000000), wk = 0.0025773 k( 236) = ( -0.0471698 0.0471698 0.0000000), wk = 0.0025773 k( 237) = ( -0.0566038 0.0566038 -0.0000000), wk = 0.0025773 k( 238) = ( -0.0660377 0.0660377 0.0000000), wk = 0.0025773 k( 239) = ( -0.0754717 0.0754717 -0.0000000), wk = 0.0025773 k( 240) = ( -0.0849057 0.0849057 -0.0000000), wk = 0.0025773 k( 241) = ( -0.0943396 0.0943396 0.0000000), wk = 0.0025773 k( 242) = ( -0.1037736 0.1037736 -0.0000000), wk = 0.0025773 k( 243) = ( -0.1132076 0.1132076 -0.0000000), wk = 0.0025773 k( 244) = ( -0.1226415 0.1226415 -0.0000000), wk = 0.0025773 k( 245) = ( -0.1320755 0.1320755 -0.0000000), wk = 0.0025773 k( 246) = ( -0.1415094 0.1415094 -0.0000000), wk = 0.0025773 k( 247) = ( -0.1509434 0.1509434 -0.0000000), wk = 0.0025773 k( 248) = ( -0.1603774 0.1603774 -0.0000000), wk = 0.0025773 k( 249) = ( -0.1698113 0.1698113 -0.0000000), wk = 0.0025773 k( 250) = ( -0.1792453 0.1792453 -0.0000000), wk = 0.0025773 k( 251) = ( -0.1886792 0.1886792 0.0000000), wk = 0.0025773 k( 252) = ( -0.1981132 0.1981132 0.0000000), wk = 0.0025773 k( 253) = ( -0.2075472 0.2075472 -0.0000000), wk = 0.0025773 k( 254) = ( -0.2169811 0.2169811 -0.0000000), wk = 0.0025773 k( 255) = ( -0.2264151 0.2264151 -0.0000000), wk = 0.0025773 k( 256) = ( -0.2358491 0.2358491 -0.0000000), wk = 0.0025773 k( 257) = ( -0.2452830 0.2452830 -0.0000000), wk = 0.0025773 k( 258) = ( -0.2547170 0.2547170 -0.0000000), wk = 0.0025773 k( 259) = ( -0.2641509 0.2641509 -0.0000000), wk = 0.0025773 k( 260) = ( -0.2735849 0.2735849 -0.0000000), wk = 0.0025773 k( 261) = ( -0.2830189 0.2830189 0.0000000), wk = 0.0025773 k( 262) = ( -0.2924528 0.2924528 -0.0000000), wk = 0.0025773 k( 263) = ( -0.3018868 0.3018868 -0.0000000), wk = 0.0025773 k( 264) = ( -0.3113207 0.3113208 -0.0000000), wk = 0.0025773 k( 265) = ( -0.3207547 0.3207547 -0.0000000), wk = 0.0025773 k( 266) = ( -0.3301887 0.3301887 -0.0000000), wk = 0.0025773 k( 267) = ( -0.3396226 0.3396226 -0.0000000), wk = 0.0025773 k( 268) = ( -0.3490566 0.3490566 -0.0000000), wk = 0.0025773 k( 269) = ( -0.3584906 0.3584906 -0.0000000), wk = 0.0025773 k( 270) = ( -0.3679245 0.3679245 -0.0000000), wk = 0.0025773 k( 271) = ( -0.3773585 0.3773585 -0.0000000), wk = 0.0025773 k( 272) = ( -0.3867925 0.3867925 -0.0000000), wk = 0.0025773 k( 273) = ( -0.3962264 0.3962264 0.0000000), wk = 0.0025773 k( 274) = ( -0.4056604 0.4056604 0.0000000), wk = 0.0025773 k( 275) = ( -0.4150943 0.4150943 -0.0000000), wk = 0.0025773 k( 276) = ( -0.4245283 0.4245283 0.0000000), wk = 0.0025773 k( 277) = ( -0.4339623 0.4339623 -0.0000000), wk = 0.0025773 k( 278) = ( -0.4433962 0.4433962 0.0000000), wk = 0.0025773 k( 279) = ( -0.4528302 0.4528302 -0.0000000), wk = 0.0025773 k( 280) = ( -0.4622641 0.4622641 -0.0000000), wk = 0.0025773 k( 281) = ( -0.4716981 0.4716981 -0.0000000), wk = 0.0025773 k( 282) = ( -0.4811321 0.4811321 -0.0000000), wk = 0.0025773 k( 283) = ( -0.4905660 0.4905660 -0.0000000), wk = 0.0025773 k( 284) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 285) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 286) = ( -0.4973571 0.5026429 -0.0000000), wk = 0.0025773 k( 287) = ( -0.4973571 0.5026429 -0.0000000), wk = 0.0025773 k( 288) = ( -0.4973571 0.5026429 0.0227273), wk = 0.0025773 k( 289) = ( -0.4973571 0.5026429 0.0454546), wk = 0.0025773 k( 290) = ( -0.4973571 0.5026429 0.0681818), wk = 0.0025773 k( 291) = ( -0.4973571 0.5026429 0.0909091), wk = 0.0025773 k( 292) = ( -0.4973571 0.5026429 0.1136364), wk = 0.0025773 k( 293) = ( -0.4973571 0.5026429 0.1363636), wk = 0.0025773 k( 294) = ( -0.4973571 0.5026429 0.1590909), wk = 0.0025773 k( 295) = ( -0.4973571 0.5026429 0.1818182), wk = 0.0025773 k( 296) = ( -0.4973571 0.5026429 0.2045454), wk = 0.0025773 k( 297) = ( -0.4973571 0.5026429 0.2272727), wk = 0.0025773 k( 298) = ( -0.4973571 0.5026429 0.2500000), wk = 0.0025773 k( 299) = ( -0.4973571 0.5026429 0.2727273), wk = 0.0025773 k( 300) = ( -0.4973571 0.5026429 0.2954545), wk = 0.0025773 k( 301) = ( -0.4973571 0.5026429 0.3181818), wk = 0.0025773 k( 302) = ( -0.4973571 0.5026429 0.3409091), wk = 0.0025773 k( 303) = ( -0.4973571 0.5026429 0.3636364), wk = 0.0025773 k( 304) = ( -0.4973571 0.5026429 0.3863636), wk = 0.0025773 k( 305) = ( -0.4973571 0.5026429 0.4090909), wk = 0.0025773 k( 306) = ( -0.4973571 0.5026429 0.4318182), wk = 0.0025773 k( 307) = ( -0.4973571 0.5026429 0.4545455), wk = 0.0025773 k( 308) = ( -0.4973571 0.5026429 0.4772727), wk = 0.0025773 k( 309) = ( -0.4973571 0.5026429 0.5000000), wk = 0.0025773 k( 310) = ( -0.4973571 0.5026429 0.5000000), wk = 0.0025773 k( 311) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025773 k( 312) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025773 k( 313) = ( -0.5000000 0.5000000 0.4772727), wk = 0.0025773 k( 314) = ( -0.5000000 0.5000000 0.4545455), wk = 0.0025773 k( 315) = ( -0.5000000 0.5000000 0.4318182), wk = 0.0025773 k( 316) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0025773 k( 317) = ( -0.5000000 0.5000000 0.3863636), wk = 0.0025773 k( 318) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0025773 k( 319) = ( -0.5000000 0.5000000 0.3409091), wk = 0.0025773 k( 320) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0025773 k( 321) = ( -0.5000000 0.5000000 0.2954545), wk = 0.0025773 k( 322) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0025773 k( 323) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0025773 k( 324) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0025773 k( 325) = ( -0.5000000 0.5000000 0.2045454), wk = 0.0025773 k( 326) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0025773 k( 327) = ( -0.5000000 0.5000000 0.1590909), wk = 0.0025773 k( 328) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0025773 k( 329) = ( -0.5000000 0.5000000 0.1136364), wk = 0.0025773 k( 330) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0025773 k( 331) = ( -0.5000000 0.5000000 0.0681818), wk = 0.0025773 k( 332) = ( -0.5000000 0.5000000 0.0454546), wk = 0.0025773 k( 333) = ( -0.5000000 0.5000000 0.0227273), wk = 0.0025773 k( 334) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 335) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 336) = ( -0.0094340 0.0094340 0.5000000), wk = 0.0025773 k( 337) = ( -0.0188679 0.0188679 0.5000000), wk = 0.0025773 k( 338) = ( -0.0283019 0.0283019 0.5000000), wk = 0.0025773 k( 339) = ( -0.0377359 0.0377359 0.5000000), wk = 0.0025773 k( 340) = ( -0.0471698 0.0471698 0.5000000), wk = 0.0025773 k( 341) = ( -0.0566038 0.0566038 0.5000000), wk = 0.0025773 k( 342) = ( -0.0660377 0.0660377 0.5000000), wk = 0.0025773 k( 343) = ( -0.0754717 0.0754717 0.5000000), wk = 0.0025773 k( 344) = ( -0.0849057 0.0849057 0.5000000), wk = 0.0025773 k( 345) = ( -0.0943396 0.0943396 0.5000000), wk = 0.0025773 k( 346) = ( -0.1037736 0.1037736 0.5000000), wk = 0.0025773 k( 347) = ( -0.1132076 0.1132076 0.5000000), wk = 0.0025773 k( 348) = ( -0.1226415 0.1226415 0.5000000), wk = 0.0025773 k( 349) = ( -0.1320755 0.1320755 0.5000000), wk = 0.0025773 k( 350) = ( -0.1415094 0.1415094 0.5000000), wk = 0.0025773 k( 351) = ( -0.1509434 0.1509434 0.5000000), wk = 0.0025773 k( 352) = ( -0.1603774 0.1603774 0.5000000), wk = 0.0025773 k( 353) = ( -0.1698113 0.1698113 0.5000000), wk = 0.0025773 k( 354) = ( -0.1792453 0.1792453 0.5000000), wk = 0.0025773 k( 355) = ( -0.1886792 0.1886792 0.5000000), wk = 0.0025773 k( 356) = ( -0.1981132 0.1981132 0.5000000), wk = 0.0025773 k( 357) = ( -0.2075472 0.2075472 0.5000000), wk = 0.0025773 k( 358) = ( -0.2169811 0.2169811 0.5000000), wk = 0.0025773 k( 359) = ( -0.2264151 0.2264151 0.5000000), wk = 0.0025773 k( 360) = ( -0.2358491 0.2358491 0.5000000), wk = 0.0025773 k( 361) = ( -0.2452830 0.2452830 0.5000000), wk = 0.0025773 k( 362) = ( -0.2547170 0.2547170 0.5000000), wk = 0.0025773 k( 363) = ( -0.2641509 0.2641509 0.5000000), wk = 0.0025773 k( 364) = ( -0.2735849 0.2735849 0.5000000), wk = 0.0025773 k( 365) = ( -0.2830189 0.2830189 0.5000000), wk = 0.0025773 k( 366) = ( -0.2924528 0.2924528 0.5000000), wk = 0.0025773 k( 367) = ( -0.3018868 0.3018868 0.5000000), wk = 0.0025773 k( 368) = ( -0.3113207 0.3113208 0.5000000), wk = 0.0025773 k( 369) = ( -0.3207547 0.3207547 0.5000000), wk = 0.0025773 k( 370) = ( -0.3301887 0.3301887 0.5000000), wk = 0.0025773 k( 371) = ( -0.3396226 0.3396226 0.5000000), wk = 0.0025773 k( 372) = ( -0.3490566 0.3490566 0.5000000), wk = 0.0025773 k( 373) = ( -0.3584906 0.3584906 0.5000000), wk = 0.0025773 k( 374) = ( -0.3679245 0.3679245 0.5000000), wk = 0.0025773 k( 375) = ( -0.3773585 0.3773585 0.5000000), wk = 0.0025773 k( 376) = ( -0.3867925 0.3867925 0.5000000), wk = 0.0025773 k( 377) = ( -0.3962264 0.3962264 0.5000000), wk = 0.0025773 k( 378) = ( -0.4056604 0.4056604 0.5000000), wk = 0.0025773 k( 379) = ( -0.4150943 0.4150943 0.5000000), wk = 0.0025773 k( 380) = ( -0.4245283 0.4245283 0.5000000), wk = 0.0025773 k( 381) = ( -0.4339623 0.4339623 0.5000000), wk = 0.0025773 k( 382) = ( -0.4433962 0.4433962 0.5000000), wk = 0.0025773 k( 383) = ( -0.4528302 0.4528302 0.5000000), wk = 0.0025773 k( 384) = ( -0.4622641 0.4622641 0.5000000), wk = 0.0025773 k( 385) = ( -0.4716981 0.4716981 0.5000000), wk = 0.0025773 k( 386) = ( -0.4811321 0.4811321 0.5000000), wk = 0.0025773 k( 387) = ( -0.4905660 0.4905660 0.5000000), wk = 0.0025773 k( 388) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025773 Dense grid: 114587 G-vectors FFT dimensions: ( 54, 54, 90) Smooth grid: 54783 G-vectors FFT dimensions: ( 40, 40, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 288, 58) NL pseudopotentials 0.36 Mb ( 144, 164) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2387) G-vector shells 0.01 Mb ( 1174) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.02 Mb ( 288, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.29 Mb ( 164, 2, 58) Check: negative/imaginary core charge= -0.000010 0.000000 The potential is recalculated from file : ./MgCl2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.9 secs Computing kpt #: 2 total cpu time spent up to now is 44.4 secs Computing kpt #: 3 total cpu time spent up to now is 46.9 secs Computing kpt #: 4 total cpu time spent up to now is 49.4 secs Computing kpt #: 5 total cpu time spent up to now is 51.8 secs Computing kpt #: 6 total cpu time spent up to now is 54.2 secs Computing kpt #: 7 total cpu time spent up to now is 56.7 secs Computing kpt #: 8 total cpu time spent up to now is 59.2 secs Computing kpt #: 9 total cpu time spent up to now is 61.7 secs Computing kpt #: 10 total cpu time spent up to now is 64.5 secs Computing kpt #: 11 total cpu time spent up to now is 67.0 secs Computing kpt #: 12 total cpu time spent up to now is 69.8 secs Computing kpt #: 13 total cpu time spent up to now is 72.3 secs Computing kpt #: 14 total cpu time spent up to now is 74.7 secs Computing kpt #: 15 total cpu time spent up to now is 77.4 secs Computing kpt #: 16 total cpu time spent up to now is 80.7 secs Computing kpt #: 17 total cpu time spent up to now is 83.9 secs Computing kpt #: 18 total cpu time spent up to now is 86.3 secs Computing kpt #: 19 total cpu time spent up to now is 88.8 secs Computing kpt #: 20 total cpu time spent up to now is 91.3 secs Computing kpt #: 21 total cpu time spent up to now is 93.8 secs Computing kpt #: 22 total cpu time spent up to now is 96.3 secs Computing kpt #: 23 total cpu time spent up to now is 99.0 secs Computing kpt #: 24 total cpu time spent up to now is 101.6 secs Computing kpt #: 25 total cpu time spent up to now is 104.2 secs Computing kpt #: 26 total cpu time spent up to now is 106.9 secs Computing kpt #: 27 total cpu time spent up to now is 109.6 secs Computing kpt #: 28 total cpu time spent up to now is 112.5 secs Computing kpt #: 29 total cpu time spent up to now is 115.6 secs Computing kpt #: 30 total cpu time spent up to now is 118.6 secs Computing kpt #: 31 total cpu time spent up to now is 122.0 secs Computing kpt #: 32 total cpu time spent up to now is 125.4 secs Computing kpt #: 33 total cpu time spent up to now is 128.4 secs Computing kpt #: 34 total cpu time spent up to now is 131.2 secs Computing kpt #: 35 total cpu time spent up to now is 134.1 secs Computing kpt #: 36 total cpu time spent up to now is 136.9 secs Computing kpt #: 37 total cpu time spent up to now is 139.8 secs Computing kpt #: 38 total cpu time spent up to now is 142.3 secs Computing kpt #: 39 total cpu time spent up to now is 145.0 secs Computing kpt #: 40 total cpu time spent up to now is 147.8 secs Computing kpt #: 41 total cpu time spent up to now is 150.5 secs Computing kpt #: 42 total cpu time spent up to now is 153.2 secs Computing kpt #: 43 total cpu time spent up to now is 156.3 secs Computing kpt #: 44 total cpu time spent up to now is 158.9 secs Computing kpt #: 45 total cpu time spent up to now is 162.3 secs Computing kpt #: 46 total cpu time spent up to now is 165.0 secs Computing kpt #: 47 total cpu time spent up to now is 167.8 secs Computing kpt #: 48 total cpu time spent up to now is 171.7 secs Computing kpt #: 49 total cpu time spent up to now is 174.4 secs Computing kpt #: 50 total cpu time spent up to now is 177.1 secs Computing kpt #: 51 total cpu time spent up to now is 179.7 secs Computing kpt #: 52 total cpu time spent up to now is 182.3 secs Computing kpt #: 53 total cpu time spent up to now is 184.9 secs Computing kpt #: 54 total cpu time spent up to now is 187.4 secs Computing kpt #: 55 total cpu time spent up to now is 189.9 secs Computing kpt #: 56 total cpu time spent up to now is 192.4 secs Computing kpt #: 57 total cpu time spent up to now is 194.9 secs Computing kpt #: 58 total cpu time spent up to now is 197.5 secs Computing kpt #: 59 total cpu time spent up to now is 200.2 secs Computing kpt #: 60 total cpu time spent up to now is 202.8 secs Computing kpt #: 61 total cpu time spent up to now is 205.5 secs Computing kpt #: 62 total cpu time spent up to now is 208.3 secs Computing kpt #: 63 total cpu time spent up to now is 211.1 secs Computing kpt #: 64 total cpu time spent up to now is 213.9 secs Computing kpt #: 65 total cpu time spent up to now is 216.5 secs Computing kpt #: 66 total cpu time spent up to now is 219.2 secs Computing kpt #: 67 total cpu time spent up to now is 222.5 secs Computing kpt #: 68 total cpu time spent up to now is 225.3 secs Computing kpt #: 69 total cpu time spent up to now is 228.2 secs Computing kpt #: 70 total cpu time spent up to now is 230.9 secs Computing kpt #: 71 total cpu time spent up to now is 233.6 secs Computing kpt #: 72 total cpu time spent up to now is 236.6 secs Computing kpt #: 73 total cpu time spent up to now is 239.4 secs Computing kpt #: 74 total cpu time spent up to now is 242.5 secs Computing kpt #: 75 total cpu time spent up to now is 245.5 secs Computing kpt #: 76 total cpu time spent up to now is 248.1 secs Computing kpt #: 77 total cpu time spent up to now is 251.1 secs Computing kpt #: 78 total cpu time spent up to now is 253.7 secs Computing kpt #: 79 total cpu time spent up to now is 256.4 secs Computing kpt #: 80 total cpu time spent up to now is 259.1 secs Computing kpt #: 81 total cpu time spent up to now is 261.6 secs Computing kpt #: 82 total cpu time spent up to now is 264.1 secs Computing kpt #: 83 total cpu time spent up to now is 266.9 secs Computing kpt #: 84 total cpu time spent up to now is 269.5 secs Computing kpt #: 85 total cpu time spent up to now is 271.9 secs Computing kpt #: 86 total cpu time spent up to now is 274.7 secs Computing kpt #: 87 total cpu time spent up to now is 277.1 secs Computing kpt #: 88 total cpu time spent up to now is 279.5 secs Computing kpt #: 89 total cpu time spent up to now is 281.9 secs Computing kpt #: 90 total cpu time spent up to now is 284.6 secs Computing kpt #: 91 total cpu time spent up to now is 286.9 secs Computing kpt #: 92 total cpu time spent up to now is 290.7 secs Computing kpt #: 93 total cpu time spent up to now is 293.1 secs Computing kpt #: 94 total cpu time spent up to now is 295.4 secs Computing kpt #: 95 total cpu time spent up to now is 297.8 secs Computing kpt #: 96 total cpu time spent up to now is 300.3 secs Computing kpt #: 97 total cpu time spent up to now is 303.3 secs Computing kpt #: 98 total cpu time spent up to now is 306.0 secs Computing kpt #: 99 total cpu time spent up to now is 308.5 secs Computing kpt #: 100 total cpu time spent up to now is 311.0 secs Computing kpt #: 101 total cpu time spent up to now is 314.0 secs Computing kpt #: 102 total cpu time spent up to now is 316.4 secs Computing kpt #: 103 total cpu time spent up to now is 318.9 secs Computing kpt #: 104 total cpu time spent up to now is 321.7 secs Computing kpt #: 105 total cpu time spent up to now is 324.4 secs Computing kpt #: 106 total cpu time spent up to now is 326.9 secs Computing kpt #: 107 total cpu time spent up to now is 329.6 secs Computing kpt #: 108 total cpu time spent up to now is 332.3 secs Computing kpt #: 109 total cpu time spent up to now is 335.1 secs Computing kpt #: 110 total cpu time spent up to now is 338.4 secs Computing kpt #: 111 total cpu time spent up to now is 341.2 secs Computing kpt #: 112 total cpu time spent up to now is 343.9 secs Computing kpt #: 113 total cpu time spent up to now is 346.5 secs Computing kpt #: 114 total cpu time spent up to now is 349.2 secs Computing kpt #: 115 total cpu time spent up to now is 351.9 secs Computing kpt #: 116 total cpu time spent up to now is 354.5 secs Computing kpt #: 117 total cpu time spent up to now is 357.6 secs Computing kpt #: 118 total cpu time spent up to now is 360.4 secs Computing kpt #: 119 total cpu time spent up to now is 362.9 secs Computing kpt #: 120 total cpu time spent up to now is 365.7 secs Computing kpt #: 121 total cpu time spent up to now is 368.4 secs Computing kpt #: 122 total cpu time spent up to now is 370.9 secs Computing kpt #: 123 total cpu time spent up to now is 373.5 secs Computing kpt #: 124 total cpu time spent up to now is 376.2 secs Computing kpt #: 125 total cpu time spent up to now is 378.8 secs Computing kpt #: 126 total cpu time spent up to now is 381.8 secs Computing kpt #: 127 total cpu time spent up to now is 384.6 secs Computing kpt #: 128 total cpu time spent up to now is 387.5 secs Computing kpt #: 129 total cpu time spent up to now is 390.1 secs Computing kpt #: 130 total cpu time spent up to now is 393.1 secs Computing kpt #: 131 total cpu time spent up to now is 396.0 secs Computing kpt #: 132 total cpu time spent up to now is 398.6 secs Computing kpt #: 133 total cpu time spent up to now is 401.2 secs Computing kpt #: 134 total cpu time spent up to now is 403.8 secs Computing kpt #: 135 total cpu time spent up to now is 406.3 secs Computing kpt #: 136 total cpu time spent up to now is 409.4 secs Computing kpt #: 137 total cpu time spent up to now is 412.2 secs Computing kpt #: 138 total cpu time spent up to now is 414.8 secs Computing kpt #: 139 total cpu time spent up to now is 418.7 secs Computing kpt #: 140 total cpu time spent up to now is 421.3 secs Computing kpt #: 141 total cpu time spent up to now is 424.0 secs Computing kpt #: 142 total cpu time spent up to now is 428.0 secs Computing kpt #: 143 total cpu time spent up to now is 431.5 secs Computing kpt #: 144 total cpu time spent up to now is 434.6 secs Computing kpt #: 145 total cpu time spent up to now is 437.8 secs Computing kpt #: 146 total cpu time spent up to now is 441.4 secs Computing kpt #: 147 total cpu time spent up to now is 445.4 secs Computing kpt #: 148 total cpu time spent up to now is 449.5 secs Computing kpt #: 149 total cpu time spent up to now is 453.5 secs Computing kpt #: 150 total cpu time spent up to now is 457.9 secs Computing kpt #: 151 total cpu time spent up to now is 462.5 secs Computing kpt #: 152 total cpu time spent up to now is 466.6 secs Computing kpt #: 153 total cpu time spent up to now is 471.3 secs Computing kpt #: 154 total cpu time spent up to now is 476.4 secs Computing kpt #: 155 total cpu time spent up to now is 481.6 secs Computing kpt #: 156 total cpu time spent up to now is 485.5 secs Computing kpt #: 157 total cpu time spent up to now is 490.1 secs Computing kpt #: 158 total cpu time spent up to now is 494.2 secs Computing kpt #: 159 total cpu time spent up to now is 498.4 secs Computing kpt #: 160 total cpu time spent up to now is 502.4 secs Computing kpt #: 161 total cpu time spent up to now is 506.5 secs Computing kpt #: 162 total cpu time spent up to now is 510.3 secs Computing kpt #: 163 total cpu time spent up to now is 514.2 secs Computing kpt #: 164 total cpu time spent up to now is 518.3 secs Computing kpt #: 165 total cpu time spent up to now is 522.2 secs Computing kpt #: 166 total cpu time spent up to now is 526.3 secs Computing kpt #: 167 total cpu time spent up to now is 530.7 secs Computing kpt #: 168 total cpu time spent up to now is 534.1 secs Computing kpt #: 169 total cpu time spent up to now is 537.1 secs Computing kpt #: 170 total cpu time spent up to now is 540.9 secs Computing kpt #: 171 total cpu time spent up to now is 544.5 secs Computing kpt #: 172 total cpu time spent up to now is 547.2 secs Computing kpt #: 173 total cpu time spent up to now is 549.9 secs Computing kpt #: 174 total cpu time spent up to now is 553.0 secs Computing kpt #: 175 total cpu time spent up to now is 555.8 secs Computing kpt #: 176 total cpu time spent up to now is 558.5 secs Computing kpt #: 177 total cpu time spent up to now is 561.1 secs Computing kpt #: 178 total cpu time spent up to now is 564.0 secs Computing kpt #: 179 total cpu time spent up to now is 566.9 secs Computing kpt #: 180 total cpu time spent up to now is 569.7 secs Computing kpt #: 181 total cpu time spent up to now is 572.4 secs Computing kpt #: 182 total cpu time spent up to now is 575.1 secs Computing kpt #: 183 total cpu time spent up to now is 577.7 secs Computing kpt #: 184 total cpu time spent up to now is 580.3 secs Computing kpt #: 185 total cpu time spent up to now is 584.1 secs Computing kpt #: 186 total cpu time spent up to now is 587.0 secs Computing kpt #: 187 total cpu time spent up to now is 589.6 secs Computing kpt #: 188 total cpu time spent up to now is 592.4 secs Computing kpt #: 189 total cpu time spent up to now is 595.1 secs Computing kpt #: 190 total cpu time spent up to now is 598.8 secs Computing kpt #: 191 total cpu time spent up to now is 602.2 secs Computing kpt #: 192 total cpu time spent up to now is 606.0 secs Computing kpt #: 193 total cpu time spent up to now is 609.2 secs Computing kpt #: 194 total cpu time spent up to now is 612.4 secs Computing kpt #: 195 total cpu time spent up to now is 615.3 secs Computing kpt #: 196 total cpu time spent up to now is 618.0 secs Computing kpt #: 197 total cpu time spent up to now is 621.0 secs Computing kpt #: 198 total cpu time spent up to now is 623.7 secs Computing kpt #: 199 total cpu time spent up to now is 627.5 secs Computing kpt #: 200 total cpu time spent up to now is 630.2 secs Computing kpt #: 201 total cpu time spent up to now is 633.4 secs Computing kpt #: 202 total cpu time spent up to now is 636.5 secs Computing kpt #: 203 total cpu time spent up to now is 640.3 secs Computing kpt #: 204 total cpu time spent up to now is 644.9 secs Computing kpt #: 205 total cpu time spent up to now is 648.3 secs Computing kpt #: 206 total cpu time spent up to now is 651.5 secs Computing kpt #: 207 total cpu time spent up to now is 655.6 secs Computing kpt #: 208 total cpu time spent up to now is 658.7 secs Computing kpt #: 209 total cpu time spent up to now is 661.4 secs Computing kpt #: 210 total cpu time spent up to now is 664.7 secs Computing kpt #: 211 total cpu time spent up to now is 667.7 secs Computing kpt #: 212 total cpu time spent up to now is 670.6 secs Computing kpt #: 213 total cpu time spent up to now is 673.5 secs Computing kpt #: 214 total cpu time spent up to now is 676.2 secs Computing kpt #: 215 total cpu time spent up to now is 678.9 secs Computing kpt #: 216 total cpu time spent up to now is 681.8 secs Computing kpt #: 217 total cpu time spent up to now is 684.4 secs Computing kpt #: 218 total cpu time spent up to now is 687.3 secs Computing kpt #: 219 total cpu time spent up to now is 690.4 secs Computing kpt #: 220 total cpu time spent up to now is 693.1 secs Computing kpt #: 221 total cpu time spent up to now is 695.7 secs Computing kpt #: 222 total cpu time spent up to now is 698.4 secs Computing kpt #: 223 total cpu time spent up to now is 701.3 secs Computing kpt #: 224 total cpu time spent up to now is 704.6 secs Computing kpt #: 225 total cpu time spent up to now is 707.3 secs Computing kpt #: 226 total cpu time spent up to now is 709.8 secs Computing kpt #: 227 total cpu time spent up to now is 712.3 secs Computing kpt #: 228 total cpu time spent up to now is 714.7 secs Computing kpt #: 229 total cpu time spent up to now is 717.5 secs Computing kpt #: 230 total cpu time spent up to now is 720.4 secs Computing kpt #: 231 total cpu time spent up to now is 722.8 secs Computing kpt #: 232 total cpu time spent up to now is 725.2 secs Computing kpt #: 233 total cpu time spent up to now is 727.5 secs Computing kpt #: 234 total cpu time spent up to now is 729.9 secs Computing kpt #: 235 total cpu time spent up to now is 732.3 secs Computing kpt #: 236 total cpu time spent up to now is 735.1 secs Computing kpt #: 237 total cpu time spent up to now is 737.6 secs Computing kpt #: 238 total cpu time spent up to now is 740.2 secs Computing kpt #: 239 total cpu time spent up to now is 742.8 secs Computing kpt #: 240 total cpu time spent up to now is 745.7 secs Computing kpt #: 241 total cpu time spent up to now is 748.5 secs Computing kpt #: 242 total cpu time spent up to now is 751.6 secs Computing kpt #: 243 total cpu time spent up to now is 754.1 secs Computing kpt #: 244 total cpu time spent up to now is 756.8 secs Computing kpt #: 245 total cpu time spent up to now is 759.3 secs Computing kpt #: 246 total cpu time spent up to now is 761.7 secs Computing kpt #: 247 total cpu time spent up to now is 764.1 secs Computing kpt #: 248 total cpu time spent up to now is 766.5 secs Computing kpt #: 249 total cpu time spent up to now is 769.1 secs Computing kpt #: 250 total cpu time spent up to now is 772.7 secs Computing kpt #: 251 total cpu time spent up to now is 775.4 secs Computing kpt #: 252 total cpu time spent up to now is 778.5 secs Computing kpt #: 253 total cpu time spent up to now is 781.7 secs Computing kpt #: 254 total cpu time spent up to now is 784.1 secs Computing kpt #: 255 total cpu time spent up to now is 786.5 secs Computing kpt #: 256 total cpu time spent up to now is 789.6 secs Computing kpt #: 257 total cpu time spent up to now is 791.9 secs Computing kpt #: 258 total cpu time spent up to now is 794.3 secs Computing kpt #: 259 total cpu time spent up to now is 796.8 secs Computing kpt #: 260 total cpu time spent up to now is 800.2 secs Computing kpt #: 261 total cpu time spent up to now is 802.7 secs Computing kpt #: 262 total cpu time spent up to now is 805.1 secs Computing kpt #: 263 total cpu time spent up to now is 807.5 secs Computing kpt #: 264 total cpu time spent up to now is 809.9 secs Computing kpt #: 265 total cpu time spent up to now is 812.3 secs Computing kpt #: 266 total cpu time spent up to now is 814.9 secs Computing kpt #: 267 total cpu time spent up to now is 817.3 secs Computing kpt #: 268 total cpu time spent up to now is 819.7 secs Computing kpt #: 269 total cpu time spent up to now is 822.3 secs Computing kpt #: 270 total cpu time spent up to now is 824.8 secs Computing kpt #: 271 total cpu time spent up to now is 827.2 secs Computing kpt #: 272 total cpu time spent up to now is 829.8 secs Computing kpt #: 273 total cpu time spent up to now is 832.5 secs Computing kpt #: 274 total cpu time spent up to now is 835.0 secs Computing kpt #: 275 total cpu time spent up to now is 837.5 secs Computing kpt #: 276 total cpu time spent up to now is 839.9 secs Computing kpt #: 277 total cpu time spent up to now is 842.3 secs Computing kpt #: 278 total cpu time spent up to now is 844.8 secs Computing kpt #: 279 total cpu time spent up to now is 847.6 secs Computing kpt #: 280 total cpu time spent up to now is 850.1 secs Computing kpt #: 281 total cpu time spent up to now is 852.5 secs Computing kpt #: 282 total cpu time spent up to now is 855.0 secs Computing kpt #: 283 total cpu time spent up to now is 857.7 secs Computing kpt #: 284 total cpu time spent up to now is 860.2 secs Computing kpt #: 285 total cpu time spent up to now is 862.8 secs Computing kpt #: 286 total cpu time spent up to now is 865.3 secs Computing kpt #: 287 total cpu time spent up to now is 868.0 secs Computing kpt #: 288 total cpu time spent up to now is 870.7 secs Computing kpt #: 289 total cpu time spent up to now is 873.6 secs Computing kpt #: 290 total cpu time spent up to now is 876.5 secs Computing kpt #: 291 total cpu time spent up to now is 879.0 secs Computing kpt #: 292 total cpu time spent up to now is 881.7 secs Computing kpt #: 293 total cpu time spent up to now is 885.0 secs Computing kpt #: 294 total cpu time spent up to now is 887.6 secs Computing kpt #: 295 total cpu time spent up to now is 891.2 secs Computing kpt #: 296 total cpu time spent up to now is 894.4 secs Computing kpt #: 297 total cpu time spent up to now is 897.7 secs Computing kpt #: 298 total cpu time spent up to now is 901.9 secs Computing kpt #: 299 total cpu time spent up to now is 905.5 secs Computing kpt #: 300 total cpu time spent up to now is 908.6 secs Computing kpt #: 301 total cpu time spent up to now is 912.0 secs Computing kpt #: 302 total cpu time spent up to now is 915.5 secs Computing kpt #: 303 total cpu time spent up to now is 918.3 secs Computing kpt #: 304 total cpu time spent up to now is 921.2 secs Computing kpt #: 305 total cpu time spent up to now is 923.9 secs Computing kpt #: 306 total cpu time spent up to now is 927.2 secs Computing kpt #: 307 total cpu time spent up to now is 931.2 secs Computing kpt #: 308 total cpu time spent up to now is 936.0 secs Computing kpt #: 309 total cpu time spent up to now is 940.8 secs Computing kpt #: 310 total cpu time spent up to now is 945.6 secs Computing kpt #: 311 total cpu time spent up to now is 949.6 secs Computing kpt #: 312 total cpu time spent up to now is 953.5 secs Computing kpt #: 313 total cpu time spent up to now is 957.4 secs Computing kpt #: 314 total cpu time spent up to now is 960.4 secs Computing kpt #: 315 total cpu time spent up to now is 963.2 secs Computing kpt #: 316 total cpu time spent up to now is 966.0 secs Computing kpt #: 317 total cpu time spent up to now is 969.2 secs Computing kpt #: 318 total cpu time spent up to now is 972.0 secs Computing kpt #: 319 total cpu time spent up to now is 975.1 secs Computing kpt #: 320 total cpu time spent up to now is 977.9 secs Computing kpt #: 321 total cpu time spent up to now is 980.8 secs Computing kpt #: 322 total cpu time spent up to now is 984.5 secs Computing kpt #: 323 total cpu time spent up to now is 988.4 secs Computing kpt #: 324 total cpu time spent up to now is 991.6 secs Computing kpt #: 325 total cpu time spent up to now is 994.7 secs Computing kpt #: 326 total cpu time spent up to now is 997.9 secs Computing kpt #: 327 total cpu time spent up to now is 1001.0 secs Computing kpt #: 328 total cpu time spent up to now is 1003.8 secs Computing kpt #: 329 total cpu time spent up to now is 1006.3 secs Computing kpt #: 330 total cpu time spent up to now is 1009.0 secs Computing kpt #: 331 total cpu time spent up to now is 1011.7 secs Computing kpt #: 332 total cpu time spent up to now is 1014.8 secs Computing kpt #: 333 total cpu time spent up to now is 1017.3 secs Computing kpt #: 334 total cpu time spent up to now is 1019.7 secs Computing kpt #: 335 total cpu time spent up to now is 1022.9 secs Computing kpt #: 336 total cpu time spent up to now is 1026.5 secs Computing kpt #: 337 total cpu time spent up to now is 1029.7 secs Computing kpt #: 338 total cpu time spent up to now is 1033.1 secs Computing kpt #: 339 total cpu time spent up to now is 1037.1 secs Computing kpt #: 340 total cpu time spent up to now is 1041.0 secs Computing kpt #: 341 total cpu time spent up to now is 1044.9 secs Computing kpt #: 342 total cpu time spent up to now is 1049.9 secs Computing kpt #: 343 total cpu time spent up to now is 1053.9 secs Computing kpt #: 344 total cpu time spent up to now is 1058.5 secs Computing kpt #: 345 total cpu time spent up to now is 1063.0 secs Computing kpt #: 346 total cpu time spent up to now is 1067.1 secs Computing kpt #: 347 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1073.6 secs Computing kpt #: 348 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1079.6 secs Computing kpt #: 349 total cpu time spent up to now is 1085.7 secs Computing kpt #: 350 total cpu time spent up to now is 1089.8 secs Computing kpt #: 351 total cpu time spent up to now is 1094.0 secs Computing kpt #: 352 total cpu time spent up to now is 1098.3 secs Computing kpt #: 353 total cpu time spent up to now is 1102.5 secs Computing kpt #: 354 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1108.4 secs Computing kpt #: 355 total cpu time spent up to now is 1112.7 secs Computing kpt #: 356 total cpu time spent up to now is 1117.6 secs Computing kpt #: 357 total cpu time spent up to now is 1122.1 secs Computing kpt #: 358 total cpu time spent up to now is 1126.0 secs Computing kpt #: 359 total cpu time spent up to now is 1130.0 secs Computing kpt #: 360 total cpu time spent up to now is 1134.1 secs Computing kpt #: 361 total cpu time spent up to now is 1139.3 secs Computing kpt #: 362 total cpu time spent up to now is 1143.2 secs Computing kpt #: 363 total cpu time spent up to now is 1146.4 secs Computing kpt #: 364 total cpu time spent up to now is 1150.4 secs Computing kpt #: 365 total cpu time spent up to now is 1153.6 secs Computing kpt #: 366 total cpu time spent up to now is 1157.7 secs Computing kpt #: 367 total cpu time spent up to now is 1162.0 secs Computing kpt #: 368 total cpu time spent up to now is 1166.2 secs Computing kpt #: 369 total cpu time spent up to now is 1170.6 secs Computing kpt #: 370 total cpu time spent up to now is 1176.1 secs Computing kpt #: 371 total cpu time spent up to now is 1180.1 secs Computing kpt #: 372 total cpu time spent up to now is 1186.3 secs Computing kpt #: 373 total cpu time spent up to now is 1190.3 secs Computing kpt #: 374 total cpu time spent up to now is 1195.6 secs Computing kpt #: 375 total cpu time spent up to now is 1200.6 secs Computing kpt #: 376 total cpu time spent up to now is 1204.6 secs Computing kpt #: 377 total cpu time spent up to now is 1209.1 secs Computing kpt #: 378 total cpu time spent up to now is 1214.4 secs Computing kpt #: 379 total cpu time spent up to now is 1218.7 secs Computing kpt #: 380 total cpu time spent up to now is 1222.9 secs Computing kpt #: 381 total cpu time spent up to now is 1226.9 secs Computing kpt #: 382 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1232.4 secs Computing kpt #: 383 total cpu time spent up to now is 1237.7 secs Computing kpt #: 384 total cpu time spent up to now is 1241.6 secs Computing kpt #: 385 total cpu time spent up to now is 1246.3 secs Computing kpt #: 386 total cpu time spent up to now is 1250.2 secs Computing kpt #: 387 total cpu time spent up to now is 1254.3 secs Computing kpt #: 388 total cpu time spent up to now is 1258.7 secs ethr = 2.08E-11, avg # of iterations = 41.3 total cpu time spent up to now is 1258.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6817 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5743 -12.5743 -11.1730 -11.1730 -10.4762 -10.4762 -8.2715 -8.2715 -1.5979 -1.5979 -1.1561 -1.1561 -0.5278 -0.5278 0.3999 0.3999 0.4425 0.4425 1.2644 1.2644 1.9854 1.9854 2.1999 2.1999 2.9089 2.9089 3.2717 3.2717 4.9477 4.9477 5.2157 5.2157 5.4658 5.4658 6.9757 6.9757 8.3677 8.3677 9.9680 9.9680 11.6429 11.6429 k = 0.0094 0.0094-0.0000 ( 6817 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5740 -12.5740 -11.1729 -11.1729 -10.4760 -10.4760 -8.2719 -8.2719 -1.5982 -1.5979 -1.1593 -1.1580 -0.5269 -0.5250 0.3988 0.3989 0.4414 0.4416 1.2612 1.2666 1.9845 1.9889 2.1968 2.1998 2.9071 2.9090 3.2727 3.2760 4.9414 4.9454 5.2212 5.2249 5.4657 5.4668 6.9770 6.9773 8.3676 8.3682 9.9690 9.9695 11.6369 11.6376 k = 0.0188 0.0189-0.0000 ( 6819 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5732 -12.5732 -11.1726 -11.1726 -10.4757 -10.4757 -8.2731 -8.2731 -1.5988 -1.5983 -1.1677 -1.1652 -0.5224 -0.5186 0.3957 0.3960 0.4383 0.4387 1.2572 1.2677 1.9860 1.9948 2.1905 2.1963 2.9036 2.9073 3.2789 3.2853 4.9281 4.9352 5.2406 5.2471 5.4668 5.4690 6.9813 6.9819 8.3681 8.3693 9.9726 9.9735 11.6202 11.6215 k = 0.0282 0.0283-0.0000 ( 6821 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5718 -12.5718 -11.1721 -11.1721 -10.4750 -10.4750 -8.2752 -8.2752 -1.5998 -1.5990 -1.1809 -1.1772 -0.5146 -0.5090 0.3907 0.3912 0.4331 0.4338 1.2522 1.2678 1.9901 2.0032 2.1811 2.1897 2.8983 2.9038 3.2901 3.2995 4.9107 4.9199 5.2710 5.2793 5.4689 5.4722 6.9884 6.9893 8.3691 8.3708 9.9786 9.9799 11.5939 11.5957 k = 0.0375 0.0377-0.0000 ( 6829 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5699 -12.5699 -11.1714 -11.1714 -10.4741 -10.4741 -8.2781 -8.2781 -1.6012 -1.6001 -1.1982 -1.1936 -0.5038 -0.4966 0.3838 0.3844 0.4261 0.4269 1.2462 1.2668 1.9967 2.0139 2.1691 2.1801 2.8913 2.8985 3.3060 3.3183 4.8919 4.9021 5.3097 5.3189 5.4721 5.4764 6.9984 6.9996 8.3706 8.3729 9.9871 9.9889 11.5595 11.5618 k = 0.0469 0.0472-0.0000 ( 6837 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1916 -38.1915 -38.1909 -38.1909 -37.9177 -37.9177 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5675 -12.5674 -11.1705 -11.1705 -10.4730 -10.4730 -8.2817 -8.2817 -1.6029 -1.6015 -1.2193 -1.2139 -0.4906 -0.4819 0.3750 0.3757 0.4171 0.4180 1.2394 1.2646 2.0056 2.0268 2.1548 2.1680 2.8826 2.8914 3.3262 3.3411 4.8733 4.8839 5.3546 5.3642 5.4764 5.4818 7.0110 7.0126 8.3726 8.3754 9.9980 10.0002 11.5183 11.5209 k = 0.0563 0.0566-0.0000 ( 6837 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1916 -38.1916 -38.1909 -38.1909 -37.9177 -37.9177 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5645 -12.5645 -11.1695 -11.1695 -10.4716 -10.4716 -8.2862 -8.2862 -1.6049 -1.6032 -1.2434 -1.2374 -0.4755 -0.4655 0.3646 0.3653 0.4063 0.4074 1.2317 1.2612 2.0169 2.0419 2.1386 2.1538 2.8721 2.8826 3.3504 3.3677 4.8559 4.8665 5.4041 5.4138 5.4819 5.4884 7.0262 7.0281 8.3750 8.3784 10.0113 10.0140 11.4715 11.4744 k = 0.0657 0.0660-0.0000 ( 6830 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1916 -38.1915 -38.1909 -38.1909 -37.9177 -37.9176 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5611 -12.5610 -11.1682 -11.1682 -10.4700 -10.4700 -8.2914 -8.2914 -1.6072 -1.6053 -1.2701 -1.2635 -0.4589 -0.4477 0.3525 0.3532 0.3938 0.3949 1.2232 1.2566 2.0302 2.0588 2.1209 2.1377 2.8601 2.8720 3.3780 3.3974 4.8404 4.8506 5.4562 5.4649 5.4906 5.4973 7.0438 7.0460 8.3778 8.3817 10.0269 10.0299 11.4201 11.4232 k = 0.0751 0.0755-0.0000 ( 6832 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1916 -38.1915 -38.1909 -38.1909 -37.9177 -37.9176 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5571 -12.5570 -11.1668 -11.1668 -10.4682 -10.4682 -8.2974 -8.2974 -1.6098 -1.6076 -1.2988 -1.2919 -0.4413 -0.4291 0.3390 0.3396 0.3795 0.3808 1.2138 1.2508 2.0454 2.0775 2.1021 2.1203 2.8463 2.8596 3.4086 3.4298 4.8272 4.8368 5.4906 5.4950 5.5239 5.5289 7.0635 7.0661 8.3811 8.3854 10.0447 10.0481 11.3647 11.3681 k = 0.0845 0.0849-0.0000 ( 6836 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1916 -38.1916 -38.1909 -38.1909 -37.9177 -37.9177 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5526 -12.5525 -11.1652 -11.1652 -10.4661 -10.4661 -8.3041 -8.3041 -1.6127 -1.6103 -1.3292 -1.3219 -0.4232 -0.4100 0.3242 0.3245 0.3637 0.3651 1.2036 1.2438 2.0622 2.0827 2.0975 2.1019 2.8310 2.8456 3.4417 3.4645 4.8165 4.8252 5.4994 5.5076 5.5804 5.5877 7.0851 7.0881 8.3846 8.3894 10.0646 10.0683 11.3065 11.3100 k = 0.0938 0.0943-0.0000 ( 6836 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1916 -38.1916 -38.1909 -38.1909 -37.9177 -37.9177 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5476 -12.5475 -11.1635 -11.1634 -10.4638 -10.4638 -8.3115 -8.3115 -1.6159 -1.6132 -1.3606 -1.3531 -0.4047 -0.3907 0.3081 0.3081 0.3464 0.3481 1.1927 1.2358 2.0621 2.0810 2.0828 2.1187 2.8143 2.8300 3.4768 3.5010 4.8085 4.8161 5.5079 5.5175 5.6430 5.6503 7.1084 7.1117 8.3884 8.3936 10.0864 10.0904 11.2463 11.2500 k = 0.1032 0.1038-0.0000 ( 6840 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1916 -38.1916 -38.1910 -38.1909 -37.9177 -37.9177 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5422 -12.5421 -11.1615 -11.1615 -10.4613 -10.4613 -8.3196 -8.3196 -1.6194 -1.6163 -1.3930 -1.3853 -0.3863 -0.3714 0.2905 0.2911 0.3277 0.3298 1.1812 1.2267 2.0421 2.0633 2.1000 2.1406 2.7961 2.8128 3.5136 3.5391 4.8033 4.8097 5.5167 5.5274 5.7085 5.7154 7.1329 7.1368 8.3922 8.3979 10.1100 10.1142 11.1853 11.1890 k = 0.1126 0.1132-0.0000 ( 6846 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1916 -38.1916 -38.1910 -38.1909 -37.9177 -37.9177 -37.9173 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5364 -12.5362 -11.1595 -11.1594 -10.4586 -10.4586 -8.3283 -8.3283 -1.6231 -1.6197 -1.4258 -1.4180 -0.3681 -0.3525 0.2718 0.2733 0.3077 0.3104 1.1691 1.2168 2.0220 2.0437 2.1197 2.1627 2.7767 2.7942 3.5516 3.5782 4.8010 4.8060 5.5260 5.5377 5.7761 5.7827 7.1585 7.1628 8.3961 8.4021 10.1351 10.1395 11.1247 11.1285 k = 0.1220 0.1226-0.0000 ( 6848 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1916 -38.1916 -38.1910 -38.1909 -37.9178 -37.9177 -37.9173 -37.9172 -37.8833 -37.8833 -37.8819 -37.8819 -12.5301 -12.5299 -11.1572 -11.1572 -10.4558 -10.4557 -8.3377 -8.3377 -1.6270 -1.6233 -1.4589 -1.4510 -0.3503 -0.3340 0.2521 0.2548 0.2867 0.2903 1.1566 1.2062 2.0022 2.0243 2.1395 2.1846 2.7561 2.7743 3.5906 3.6181 4.8016 4.8051 5.5357 5.5483 5.8456 5.8517 7.1847 7.1895 8.3998 8.4061 10.1613 10.1658 11.0658 11.0697 k = 0.1314 0.1321-0.0000 ( 6862 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1916 -38.1910 -38.1910 -37.9178 -37.9177 -37.9173 -37.9173 -37.8833 -37.8833 -37.8820 -37.8820 -12.5234 -12.5232 -11.1549 -11.1548 -10.4527 -10.4527 -8.3476 -8.3476 -1.6312 -1.6271 -1.4921 -1.4840 -0.3333 -0.3163 0.2314 0.2357 0.2648 0.2697 1.1438 1.1949 1.9829 2.0051 2.1588 2.2058 2.7347 2.7532 3.6302 3.6585 4.8052 4.8072 5.5457 5.5592 5.9166 5.9223 7.2112 7.2166 8.4031 8.4097 10.1883 10.1927 11.0101 11.0140 k = 0.1408 0.1415-0.0000 ( 6852 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1916 -38.1916 -38.1910 -38.1910 -37.9178 -37.9177 -37.9173 -37.9173 -37.8833 -37.8833 -37.8820 -37.8820 -12.5163 -12.5162 -11.1524 -11.1523 -10.4494 -10.4494 -8.3581 -8.3581 -1.6356 -1.6310 -1.5250 -1.5168 -0.3171 -0.2996 0.2098 0.2160 0.2423 0.2489 1.1309 1.1833 1.9641 1.9865 2.1773 2.2256 2.7127 2.7312 3.6702 3.6991 4.8118 4.8121 5.5560 5.5704 5.9886 5.9940 7.2376 7.2437 8.4060 8.4128 10.2156 10.2199 10.9592 10.9630 k = 0.1501 0.1509-0.0000 ( 6860 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1916 -38.1910 -38.1910 -37.9178 -37.9177 -37.9173 -37.9173 -37.8833 -37.8833 -37.8820 -37.8820 -12.5089 -12.5087 -11.1497 -11.1497 -10.4460 -10.4460 -8.3691 -8.3690 -1.6403 -1.6351 -1.5577 -1.5491 -0.3020 -0.2840 0.1871 0.1957 0.2199 0.2284 1.1180 1.1715 1.9461 1.9685 2.1943 2.2434 2.6905 2.7085 3.7102 3.7397 4.8201 4.8215 5.5665 5.5817 6.0614 6.0665 7.2637 7.2704 8.4081 8.4150 10.2425 10.2464 10.9146 10.9181 k = 0.1595 0.1604-0.0000 ( 6852 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1916 -38.1910 -38.1910 -37.9178 -37.9178 -37.9173 -37.9173 -37.8833 -37.8833 -37.8820 -37.8820 -12.5011 -12.5010 -11.1470 -11.1470 -10.4425 -10.4425 -8.3805 -8.3805 -1.6454 -1.6393 -1.5897 -1.5806 -0.2882 -0.2697 0.1635 0.1742 0.1982 0.2086 1.1053 1.1596 1.9289 1.9512 2.2092 2.2585 2.6683 2.6854 3.7501 3.7800 4.8311 4.8341 5.5771 5.5930 6.1346 6.1394 7.2890 7.2964 8.4091 8.4162 10.2684 10.2716 10.8780 10.8811 k = 0.1689 0.1698-0.0000 ( 6846 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1916 -38.1910 -38.1910 -37.9178 -37.9178 -37.9173 -37.9173 -37.8833 -37.8833 -37.8820 -37.8820 -12.4931 -12.4929 -11.1442 -11.1441 -10.4388 -10.4388 -8.3924 -8.3924 -1.6515 -1.6438 -1.6210 -1.6105 -0.2759 -0.2570 0.1388 0.1510 0.1783 0.1899 1.0929 1.1477 1.9126 1.9347 2.2214 2.2700 2.6468 2.6621 3.7896 3.8199 4.8451 4.8497 5.5878 5.6044 6.2076 6.2123 7.3133 7.3216 8.4089 8.4161 10.2924 10.2947 10.8508 10.8534 k = 0.1783 0.1792-0.0000 ( 6836 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1916 -38.1910 -38.1910 -37.9178 -37.9177 -37.9173 -37.9173 -37.8833 -37.8833 -37.8820 -37.8820 -12.4847 -12.4845 -11.1412 -11.1411 -10.4350 -10.4350 -8.4047 -8.4046 -1.6616 -1.6538 -1.6461 -1.6359 -0.2653 -0.2462 0.1132 0.1262 0.1605 0.1726 1.0810 1.1362 1.8972 1.9191 2.2303 2.2773 2.6265 2.6392 3.8286 3.8592 4.8622 4.8683 5.5984 5.6157 6.2799 6.2846 7.3365 7.3456 8.4071 8.4143 10.3139 10.3149 10.8344 10.8361 k = 0.1877 0.1887-0.0000 ( 6844 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1916 -38.1911 -38.1910 -37.9178 -37.9178 -37.9174 -37.9173 -37.8833 -37.8833 -37.8820 -37.8820 -12.4762 -12.4760 -11.1382 -11.1381 -10.4311 -10.4311 -8.4173 -8.4172 -1.6824 -1.6818 -1.6517 -1.6502 -0.2566 -0.2374 0.0868 0.1000 0.1448 0.1570 1.0697 1.1251 1.8828 1.9044 2.2355 2.2796 2.6077 2.6168 3.8669 3.8977 4.8823 4.8899 5.6090 5.6269 6.3511 6.3559 7.3583 7.3683 8.4034 8.4106 10.3320 10.3325 10.8293 10.8300 k = 0.1971 0.1981-0.0000 ( 6844 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1910 -37.9178 -37.9178 -37.9174 -37.9173 -37.8833 -37.8833 -37.8820 -37.8820 -12.4674 -12.4671 -11.1350 -11.1350 -10.4271 -10.4271 -8.4302 -8.4301 -1.7113 -1.7082 -1.6574 -1.6561 -0.2501 -0.2309 0.0598 0.0728 0.1313 0.1433 1.0592 1.1146 1.8695 1.8907 2.2363 2.2763 2.5910 2.5953 3.9044 3.9353 4.9054 4.9143 5.6194 5.6379 6.4205 6.4255 7.3789 7.3898 8.3975 8.4047 10.3463 10.3485 10.8350 10.8353 k = 0.2065 0.2076-0.0000 ( 6848 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1910 -37.9178 -37.9178 -37.9174 -37.9173 -37.8833 -37.8833 -37.8820 -37.8820 -12.4584 -12.4582 -11.1319 -11.1318 -10.4230 -10.4230 -8.4434 -8.4433 -1.7392 -1.7352 -1.6629 -1.6604 -0.2458 -0.2269 0.0322 0.0451 0.1199 0.1317 1.0497 1.1047 1.8572 1.8779 2.2325 2.2674 2.5750 2.5763 3.9409 3.9719 4.9314 4.9414 5.6296 5.6486 6.4873 6.4926 7.3983 7.4102 8.3893 8.3963 10.3586 10.3624 10.8500 10.8512 k = 0.2158 0.2170-0.0000 ( 6852 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1910 -37.9179 -37.9178 -37.9174 -37.9174 -37.8833 -37.8833 -37.8820 -37.8820 -12.4492 -12.4490 -11.1286 -11.1285 -10.4188 -10.4188 -8.4568 -8.4567 -1.7660 -1.7617 -1.6678 -1.6647 -0.2439 -0.2253 0.0043 0.0169 0.1107 0.1223 1.0412 1.0957 1.8459 1.8662 2.2239 2.2528 2.5560 2.5635 3.9764 4.0073 4.9602 4.9712 5.6396 5.6590 6.5508 6.5566 7.4169 7.4297 8.3783 8.3852 10.3699 10.3753 10.8731 10.8751 k = 0.2252 0.2264-0.0000 ( 6848 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1910 -37.9179 -37.9178 -37.9174 -37.9174 -37.8833 -37.8833 -37.8820 -37.8820 -12.4400 -12.4397 -11.1253 -11.1252 -10.4146 -10.4146 -8.4703 -8.4702 -1.7917 -1.7873 -1.6724 -1.6688 -0.2444 -0.2263 -0.0239 -0.0116 0.1037 0.1152 1.0338 1.0877 1.8357 1.8554 2.2106 2.2333 2.5380 2.5518 4.0107 4.0416 4.9917 5.0036 5.6493 5.6691 6.6102 6.6165 7.4350 7.4488 8.3645 8.3712 10.3812 10.3880 10.9018 10.9041 k = 0.2346 0.2359-0.0000 ( 6846 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1911 -37.9179 -37.9178 -37.9174 -37.9174 -37.8833 -37.8833 -37.8820 -37.8820 -12.4306 -12.4304 -11.1220 -11.1219 -10.4104 -10.4103 -8.4840 -8.4839 -1.8163 -1.8118 -1.6767 -1.6728 -0.2471 -0.2297 -0.0521 -0.0401 0.0987 0.1101 1.0277 1.0807 1.8264 1.8456 2.1930 2.2097 2.5208 2.5406 4.0439 4.0745 5.0258 5.0383 5.6587 5.6788 6.6646 6.6715 7.4532 7.4679 8.3477 8.3542 10.3929 10.4008 10.9322 10.9343 k = 0.2440 0.2453-0.0000 ( 6848 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1917 -38.1911 -38.1911 -37.9179 -37.9178 -37.9174 -37.9174 -37.8833 -37.8833 -37.8820 -37.8820 -12.4212 -12.4209 -11.1186 -11.1185 -10.4061 -10.4061 -8.4977 -8.4976 -1.8396 -1.8352 -1.6808 -1.6767 -0.2518 -0.2353 -0.0804 -0.0687 0.0957 0.1069 1.0229 1.0747 1.8182 1.8368 2.1716 2.1826 2.5039 2.5292 4.0757 4.1062 5.0622 5.0752 5.6677 5.6880 6.7132 6.7207 7.4721 7.4875 8.3278 8.3340 10.4046 10.4133 10.9581 10.9595 k = 0.2534 0.2547-0.0000 ( 6844 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1917 -38.1911 -38.1911 -37.9179 -37.9179 -37.9175 -37.9174 -37.8833 -37.8833 -37.8820 -37.8820 -12.4117 -12.4115 -11.1152 -11.1151 -10.4018 -10.4018 -8.5115 -8.5114 -1.8618 -1.8574 -1.6848 -1.6804 -0.2583 -0.2427 -0.1084 -0.0973 0.0943 0.1053 1.0194 1.0699 1.8110 1.8288 2.1471 2.1529 2.4869 2.5169 4.1063 4.1364 5.1008 5.1141 5.6763 5.6967 6.7553 6.7633 7.4921 7.5081 8.3048 8.3107 10.4154 10.4245 10.9719 10.9727 k = 0.2628 0.2642-0.0000 ( 6850 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1917 -38.1912 -38.1911 -37.9179 -37.9179 -37.9175 -37.9174 -37.8833 -37.8833 -37.8820 -37.8820 -12.4023 -12.4020 -11.1118 -11.1117 -10.3975 -10.3975 -8.5252 -8.5251 -1.8827 -1.8784 -1.6885 -1.6840 -0.2663 -0.2516 -0.1363 -0.1256 0.0943 0.1051 1.0173 1.0661 1.8046 1.8218 2.1202 2.1214 2.4693 2.5032 4.1356 4.1653 5.1414 5.1547 5.6845 5.7050 6.7904 6.7989 7.5136 7.5299 8.2787 8.2843 10.4238 10.4327 10.9743 10.9748 k = 0.2721 0.2736-0.0000 ( 6854 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1917 -38.1912 -38.1911 -37.9179 -37.9179 -37.9175 -37.9174 -37.8833 -37.8833 -37.8820 -37.8820 -12.3929 -12.3926 -11.1084 -11.1083 -10.3933 -10.3933 -8.5389 -8.5388 -1.9023 -1.8982 -1.6919 -1.6873 -0.2753 -0.2617 -0.1637 -0.1536 0.0955 0.1059 1.0165 1.0635 1.7992 1.8156 2.0885 2.0913 2.4507 2.4879 4.1636 4.1928 5.1836 5.1968 5.6922 5.7127 6.8184 6.8272 7.5365 7.5529 8.2497 8.2550 10.4283 10.4364 10.9760 10.9761 k = 0.2815 0.2830-0.0000 ( 6844 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1917 -38.1912 -38.1911 -37.9179 -37.9179 -37.9175 -37.9174 -37.8833 -37.8833 -37.8821 -37.8821 -12.3836 -12.3833 -11.1050 -11.1049 -10.3891 -10.3891 -8.5524 -8.5523 -1.9207 -1.9167 -1.6951 -1.6905 -0.2852 -0.2728 -0.1905 -0.1813 0.0975 0.1074 1.0170 1.0620 1.7946 1.8101 2.0548 2.0612 2.4309 2.4707 4.1902 4.2189 5.2272 5.2402 5.6995 5.7199 6.8394 6.8483 7.5607 7.5767 8.2181 8.2231 10.4281 10.4349 10.9854 10.9862 k = 0.2909 0.2925-0.0000 ( 6844 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1917 -38.1912 -38.1911 -37.9179 -37.9179 -37.9175 -37.9175 -37.8833 -37.8833 -37.8821 -37.8821 -12.3743 -12.3741 -11.1016 -11.1015 -10.3849 -10.3849 -8.5658 -8.5657 -1.9379 -1.9341 -1.6981 -1.6934 -0.2955 -0.2846 -0.2167 -0.2085 0.1002 0.1095 1.0187 1.0614 1.7908 1.8054 2.0207 2.0304 2.4097 2.4516 4.2155 4.2435 5.2720 5.2846 5.7063 5.7265 6.8539 6.8628 7.5854 7.6008 8.1840 8.1887 10.4236 10.4287 11.0064 11.0084 k = 0.3003 0.3019-0.0000 ( 6844 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1917 -38.1912 -38.1911 -37.9179 -37.9179 -37.9175 -37.9175 -37.8833 -37.8833 -37.8821 -37.8821 -12.3653 -12.3650 -11.0983 -11.0982 -10.3808 -10.3808 -8.5790 -8.5789 -1.9539 -1.9502 -1.7008 -1.6960 -0.3062 -0.2971 -0.2418 -0.2350 0.1035 0.1121 1.0215 1.0617 1.7878 1.8013 1.9867 1.9992 2.3870 2.4305 4.2395 4.2668 5.3177 5.3297 5.7126 5.7326 6.8627 6.8714 7.6097 7.6244 8.1479 8.1522 10.4162 10.4194 11.0394 11.0427 k = 0.3097 0.3113-0.0000 ( 6836 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1917 -38.1912 -38.1911 -37.9179 -37.9179 -37.9175 -37.9175 -37.8833 -37.8833 -37.8821 -37.8821 -12.3564 -12.3561 -11.0950 -11.0949 -10.3768 -10.3768 -8.5920 -8.5919 -1.9687 -1.9651 -1.7033 -1.6985 -0.3171 -0.3105 -0.2654 -0.2609 0.1071 0.1149 1.0253 1.0627 1.7854 1.7976 1.9531 1.9682 2.3629 2.4077 4.2622 4.2887 5.3640 5.3753 5.7184 5.7381 6.8665 6.8750 7.6329 7.6465 8.1100 8.1140 10.4081 10.4094 11.0829 11.0875 k = 0.3191 0.3208-0.0000 ( 6832 PWs) bands (ev): -71.2443 -71.2443 -71.2441 -71.2441 -38.1918 -38.1917 -38.1912 -38.1912 -37.9179 -37.9179 -37.9175 -37.9175 -37.8833 -37.8833 -37.8821 -37.8821 -12.3477 -12.3474 -11.0917 -11.0916 -10.3729 -10.3729 -8.6046 -8.6045 -1.9823 -1.9789 -1.7055 -1.7007 -0.3282 -0.3252 -0.2869 -0.2857 0.1109 0.1179 1.0299 1.0644 1.7836 1.7942 1.9206 1.9377 2.3373 2.3831 4.2836 4.3093 5.4105 5.4211 5.7238 5.7431 6.8662 6.8744 7.6539 7.6663 8.0708 8.0744 10.4007 10.4012 11.1352 11.1408 k = 0.3284 0.3302-0.0000 ( 6832 PWs) bands (ev): -71.2443 -71.2443 -71.2441 -71.2441 -38.1918 -38.1917 -38.1912 -38.1912 -37.9179 -37.9179 -37.9176 -37.9175 -37.8833 -37.8833 -37.8821 -37.8821 -12.3392 -12.3389 -11.0885 -11.0884 -10.3691 -10.3691 -8.6170 -8.6169 -1.9948 -1.9916 -1.7074 -1.7026 -0.3418 -0.3398 -0.3090 -0.3055 0.1150 0.1212 1.0350 1.0664 1.7824 1.7907 1.8895 1.9081 2.3104 2.3570 4.3037 4.3285 5.4571 5.4668 5.7287 5.7475 6.8627 6.8706 7.6720 7.6832 8.0307 8.0340 10.3948 10.3969 11.1941 11.2006 k = 0.3378 0.3396-0.0000 ( 6836 PWs) bands (ev): -71.2443 -71.2443 -71.2441 -71.2441 -38.1918 -38.1918 -38.1912 -38.1912 -37.9179 -37.9179 -37.9176 -37.9175 -37.8833 -37.8833 -37.8821 -37.8821 -12.3310 -12.3307 -11.0854 -11.0853 -10.3654 -10.3654 -8.6289 -8.6288 -2.0063 -2.0033 -1.7090 -1.7043 -0.3602 -0.3530 -0.3295 -0.3209 0.1193 0.1245 1.0405 1.0687 1.7815 1.7863 1.8611 1.8797 2.2824 2.3296 4.3226 4.3465 5.5035 5.5122 5.7331 5.7514 6.8566 6.8643 7.6867 7.6966 7.9901 7.9930 10.3929 10.3964 11.2580 11.2652 k = 0.3472 0.3491-0.0000 ( 6844 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1912 -38.1912 -37.9180 -37.9179 -37.9176 -37.9175 -37.8834 -37.8834 -37.8821 -37.8821 -12.3231 -12.3228 -11.0824 -11.0823 -10.3619 -10.3618 -8.6404 -8.6403 -2.0167 -2.0139 -1.7104 -1.7058 -0.3799 -0.3694 -0.3454 -0.3338 0.1237 0.1280 1.0462 1.0710 1.7795 1.7809 1.8372 1.8531 2.2534 2.3010 4.3404 4.3632 5.5493 5.5571 5.7371 5.7547 6.8488 6.8562 7.6975 7.7061 7.9494 7.9520 10.3954 10.4002 11.3254 11.3330 k = 0.3566 0.3585-0.0000 ( 6838 PWs) bands (ev): -71.2443 -71.2443 -71.2441 -71.2441 -38.1918 -38.1918 -38.1912 -38.1912 -37.9180 -37.9179 -37.9176 -37.9175 -37.8834 -37.8834 -37.8821 -37.8821 -12.3155 -12.3153 -11.0795 -11.0794 -10.3584 -10.3584 -8.6515 -8.6514 -2.0261 -2.0235 -1.7116 -1.7071 -0.3998 -0.3885 -0.3571 -0.3449 0.1282 0.1317 1.0518 1.0731 1.7677 1.7802 1.8204 1.8289 2.2237 2.2715 4.3569 4.3787 5.5943 5.6011 5.7407 5.7576 6.8396 6.8469 7.7043 7.7118 7.9090 7.9113 10.4026 10.4084 11.3951 11.4029 k = 0.3660 0.3679-0.0000 ( 6850 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1913 -38.1912 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.3083 -12.3080 -11.0767 -11.0766 -10.3552 -10.3552 -8.6621 -8.6620 -2.0346 -2.0321 -1.7125 -1.7081 -0.4194 -0.4084 -0.3666 -0.3548 0.1329 0.1355 1.0570 1.0748 1.7507 1.7784 1.8082 1.8114 2.1934 2.2413 4.3724 4.3930 5.6383 5.6440 5.7439 5.7600 6.8297 6.8367 7.7073 7.7137 7.8694 7.8713 10.4142 10.4209 11.4658 11.4737 k = 0.3754 0.3774-0.0000 ( 6848 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1913 -38.1912 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.3014 -12.3012 -11.0740 -11.0740 -10.3521 -10.3521 -8.6721 -8.6720 -2.0422 -2.0399 -1.7132 -1.7090 -0.4383 -0.4279 -0.3747 -0.3636 0.1376 0.1395 1.0617 1.0760 1.7317 1.7718 1.7950 1.8072 2.1628 2.2107 4.3867 4.4061 5.6810 5.6857 5.7469 5.7621 6.8193 6.8262 7.7066 7.7120 7.8308 7.8324 10.4297 10.4371 11.5366 11.5444 k = 0.3847 0.3868-0.0000 ( 6848 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1913 -38.1912 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2949 -12.2947 -11.0715 -11.0714 -10.3492 -10.3492 -8.6816 -8.6815 -2.0490 -2.0469 -1.7137 -1.7097 -0.4563 -0.4466 -0.3819 -0.3716 0.1424 0.1435 1.0655 1.0765 1.7134 1.7590 1.7908 1.8053 2.1321 2.1799 4.3999 4.4181 5.7220 5.7254 5.7498 5.7637 6.8087 6.8154 7.7026 7.7072 7.7937 7.7949 10.4486 10.4564 11.6066 11.6141 k = 0.3941 0.3962-0.0000 ( 6844 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1913 -38.1912 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2889 -12.2887 -11.0691 -11.0690 -10.3465 -10.3465 -8.6904 -8.6904 -2.0550 -2.0530 -1.7140 -1.7102 -0.4732 -0.4643 -0.3883 -0.3788 0.1473 0.1477 1.0683 1.0762 1.6971 1.7454 1.7904 1.8046 2.1016 2.1491 4.4121 4.4290 5.7501 5.7603 5.7657 5.7660 6.7983 6.8048 7.6958 7.6998 7.7584 7.7592 10.4700 10.4781 11.6749 11.6821 k = 0.4035 0.4057-0.0000 ( 6844 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1913 -38.1912 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2833 -12.2831 -11.0669 -11.0668 -10.3440 -10.3440 -8.6987 -8.6986 -2.0602 -2.0585 -1.7142 -1.7106 -0.4890 -0.4808 -0.3940 -0.3853 0.1520 0.1521 1.0701 1.0750 1.6835 1.7337 1.7910 1.8046 2.0715 2.1186 4.4233 4.4388 5.7529 5.7656 5.7989 5.8014 6.7881 6.7945 7.6865 7.6903 7.7255 7.7256 10.4932 10.5013 11.7408 11.7475 k = 0.4129 0.4151-0.0000 ( 6842 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2781 -12.2779 -11.0648 -11.0648 -10.3416 -10.3416 -8.7062 -8.7061 -2.0648 -2.0632 -1.7142 -1.7109 -0.5035 -0.4960 -0.3990 -0.3911 0.1563 0.1568 1.0706 1.0731 1.6730 1.7245 1.7920 1.8049 2.0422 2.0886 4.4334 4.4476 5.7547 5.7663 5.8338 5.8354 6.7785 6.7845 7.6748 7.6791 7.6944 7.6957 10.5173 10.5252 11.8034 11.8096 k = 0.4223 0.4245-0.0000 ( 6844 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1918 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2734 -12.2733 -11.0629 -11.0629 -10.3395 -10.3395 -8.7131 -8.7130 -2.0688 -2.0673 -1.7141 -1.7111 -0.5167 -0.5100 -0.4033 -0.3963 0.1606 0.1615 1.0700 1.0704 1.6658 1.7179 1.7932 1.8054 2.0139 2.0593 4.4426 4.4553 5.7563 5.7668 5.8662 5.8671 6.7694 6.7751 7.6581 7.6636 7.6694 7.6725 10.5415 10.5490 11.8622 11.8678 k = 0.4317 0.4340-0.0000 ( 6840 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1918 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2692 -12.2691 -11.0612 -11.0612 -10.3377 -10.3377 -8.7192 -8.7192 -2.0722 -2.0709 -1.7139 -1.7112 -0.5285 -0.5225 -0.4070 -0.4009 0.1647 0.1658 1.0673 1.0684 1.6618 1.7138 1.7944 1.8060 1.9871 2.0311 4.4507 4.4620 5.7577 5.7670 5.8957 5.8961 6.7611 6.7664 7.6357 7.6386 7.6563 7.6574 10.5649 10.5719 11.9164 11.9214 k = 0.4411 0.4434-0.0000 ( 6830 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1918 -38.1913 -38.1912 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2656 -12.2655 -11.0597 -11.0597 -10.3360 -10.3360 -8.7246 -8.7246 -2.0750 -2.0739 -1.7136 -1.7113 -0.5388 -0.5336 -0.4102 -0.4048 0.1687 0.1699 1.0639 1.0660 1.6608 1.7117 1.7956 1.8066 1.9621 2.0041 4.4579 4.4677 5.7589 5.7670 5.9221 5.9222 6.7536 6.7585 7.6137 7.6156 7.6445 7.6450 10.5870 10.5933 11.9655 11.9698 k = 0.4504 0.4528-0.0000 ( 6838 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2624 -12.2623 -11.0584 -11.0584 -10.3346 -10.3346 -8.7293 -8.7292 -2.0773 -2.0764 -1.7134 -1.7113 -0.5476 -0.5432 -0.4128 -0.4082 0.1723 0.1736 1.0604 1.0631 1.6627 1.7111 1.7967 1.8071 1.9396 1.9787 4.4641 4.4724 5.7600 5.7668 5.9450 5.9453 6.7470 6.7514 7.5942 7.5956 7.6335 7.6339 10.6070 10.6125 12.0087 12.0124 k = 0.4598 0.4623-0.0000 ( 6834 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1918 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2598 -12.2597 -11.0574 -11.0573 -10.3334 -10.3334 -8.7331 -8.7331 -2.0792 -2.0784 -1.7130 -1.7114 -0.5549 -0.5513 -0.4148 -0.4111 0.1756 0.1767 1.0572 1.0600 1.6671 1.7113 1.7979 1.8074 1.9202 1.9553 4.4694 4.4762 5.7609 5.7665 5.9643 5.9648 6.7415 6.7452 7.5778 7.5788 7.6238 7.6241 10.6244 10.6291 12.0456 12.0486 k = 0.4692 0.4717-0.0000 ( 6844 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8822 -37.8822 -12.2577 -12.2576 -11.0565 -11.0565 -10.3325 -10.3325 -8.7362 -8.7362 -2.0806 -2.0800 -1.7127 -1.7114 -0.5606 -0.5579 -0.4163 -0.4135 0.1783 0.1793 1.0544 1.0569 1.6734 1.7113 1.7992 1.8075 1.9047 1.9343 4.4738 4.4789 5.7618 5.7661 5.9800 5.9805 6.7372 6.7401 7.5647 7.5654 7.6157 7.6159 10.6388 10.6425 12.0755 12.0779 k = 0.4786 0.4811-0.0000 ( 6852 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9177 -37.9176 -37.8834 -37.8834 -37.8822 -37.8822 -12.2561 -12.2561 -11.0559 -11.0558 -10.3318 -10.3318 -8.7385 -8.7385 -2.0816 -2.0812 -1.7124 -1.7115 -0.5647 -0.5628 -0.4172 -0.4153 0.1805 0.1812 1.0523 1.0543 1.6810 1.7100 1.8007 1.8073 1.8940 1.9163 4.4772 4.4808 5.7627 5.7657 5.9917 5.9921 6.7340 6.7361 7.5549 7.5554 7.6095 7.6097 10.6499 10.6524 12.0980 12.0997 k = 0.4880 0.4906-0.0000 ( 6850 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9177 -37.9176 -37.8834 -37.8834 -37.8822 -37.8822 -12.2551 -12.2551 -11.0554 -11.0554 -10.3314 -10.3314 -8.7400 -8.7399 -2.0822 -2.0820 -1.7122 -1.7117 -0.5672 -0.5661 -0.4177 -0.4166 0.1820 0.1824 1.0511 1.0523 1.6892 1.7067 1.8025 1.8066 1.8889 1.9021 4.4796 4.4817 5.7634 5.7651 5.9994 5.9996 6.7322 6.7334 7.5487 7.5490 7.6054 7.6055 10.6573 10.6587 12.1128 12.1137 k = 0.4974 0.5000-0.0000 ( 6854 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9181 -37.9181 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2547 -12.2547 -11.0553 -11.0553 -10.3312 -10.3312 -8.7406 -8.7406 -2.0824 -2.0824 -1.7119 -1.7118 -0.5681 -0.5678 -0.4177 -0.4174 0.1827 0.1828 1.0508 1.0511 1.6972 1.7011 1.8044 1.8053 1.8896 1.8926 4.4812 4.4816 5.7641 5.7645 6.0028 6.0029 6.7316 6.7319 7.5460 7.5460 7.6036 7.6036 10.6609 10.6612 12.1195 12.1197 k = 0.4974 0.5000-0.0000 ( 6854 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9181 -37.9181 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2547 -12.2547 -11.0553 -11.0553 -10.3312 -10.3312 -8.7406 -8.7406 -2.0824 -2.0824 -1.7119 -1.7118 -0.5681 -0.5678 -0.4177 -0.4174 0.1827 0.1828 1.0508 1.0511 1.6972 1.7011 1.8044 1.8053 1.8896 1.8926 4.4812 4.4816 5.7641 5.7645 6.0028 6.0029 6.7316 6.7319 7.5460 7.5460 7.6036 7.6036 10.6609 10.6612 12.1195 12.1197 k = 0.4839 0.5000-0.0000 ( 6848 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8822 -37.8822 -12.2551 -12.2551 -11.0554 -11.0554 -10.3313 -10.3313 -8.7400 -8.7400 -2.0820 -2.0819 -1.7120 -1.7116 -0.5674 -0.5665 -0.4181 -0.4172 0.1822 0.1825 1.0513 1.0522 1.6921 1.7058 1.8032 1.8064 1.8889 1.8993 4.4798 4.4814 5.7636 5.7649 6.0002 6.0004 6.7320 6.7330 7.5487 7.5489 7.6054 7.6055 10.6580 10.6592 12.1119 12.1127 k = 0.4705 0.5000-0.0000 ( 6849 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9177 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2561 -12.2561 -11.0558 -11.0558 -10.3318 -10.3318 -8.7386 -8.7386 -2.0809 -2.0806 -1.7120 -1.7113 -0.5653 -0.5639 -0.4188 -0.4174 0.1811 0.1816 1.0529 1.0544 1.6878 1.7104 1.8023 1.8074 1.8922 1.9095 4.4774 4.4801 5.7629 5.7652 5.9942 5.9946 6.7335 6.7350 7.5556 7.5560 7.6100 7.6101 10.6519 10.6538 12.0930 12.0942 k = 0.4570 0.5000-0.0000 ( 6839 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2577 -12.2576 -11.0564 -11.0564 -10.3325 -10.3325 -8.7364 -8.7364 -2.0791 -2.0787 -1.7119 -1.7109 -0.5619 -0.5599 -0.4201 -0.4181 0.1797 0.1803 1.0557 1.0576 1.6847 1.7148 1.8017 1.8084 1.8994 1.9227 4.4738 4.4776 5.7622 5.7653 5.9851 5.9855 6.7358 6.7380 7.5666 7.5671 7.6171 7.6174 10.6422 10.6448 12.0628 12.0646 k = 0.4436 0.5000-0.0000 ( 6841 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2598 -12.2597 -11.0572 -11.0571 -10.3334 -10.3334 -8.7334 -8.7334 -2.0765 -2.0759 -1.7117 -1.7105 -0.5573 -0.5547 -0.4218 -0.4193 0.1782 0.1788 1.0594 1.0614 1.6832 1.7193 1.8016 1.8095 1.9102 1.9385 4.4691 4.4740 5.7612 5.7653 5.9730 5.9734 6.7391 6.7417 7.5816 7.5824 7.6267 7.6271 10.6286 10.6320 12.0220 12.0243 k = 0.4301 0.5000-0.0000 ( 6841 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2625 -12.2624 -11.0582 -11.0581 -10.3346 -10.3346 -8.7296 -8.7296 -2.0731 -2.0725 -1.7114 -1.7099 -0.5513 -0.5481 -0.4241 -0.4212 0.1767 0.1771 1.0638 1.0658 1.6835 1.7242 1.8018 1.8106 1.9242 1.9567 4.4632 4.4692 5.7601 5.7651 5.9581 5.9584 6.7432 6.7462 7.6006 7.6016 7.6387 7.6392 10.6108 10.6147 11.9716 11.9742 k = 0.4167 0.5000-0.0000 ( 6837 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1918 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2657 -12.2656 -11.0593 -11.0593 -10.3360 -10.3360 -8.7251 -8.7251 -2.0691 -2.0683 -1.7110 -1.7093 -0.5441 -0.5403 -0.4271 -0.4238 0.1755 0.1757 1.0687 1.0704 1.6860 1.7301 1.8024 1.8120 1.9412 1.9769 4.4563 4.4632 5.7588 5.7646 5.9407 5.9408 6.7481 6.7514 7.6234 7.6248 7.6528 7.6536 10.5881 10.5924 11.9131 11.9159 k = 0.4033 0.5000-0.0000 ( 6836 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2693 -12.2693 -11.0607 -11.0607 -10.3376 -10.3376 -8.7199 -8.7199 -2.0643 -2.0634 -1.7106 -1.7087 -0.5356 -0.5314 -0.4309 -0.4273 0.1746 0.1749 1.0739 1.0749 1.6909 1.7372 1.8034 1.8136 1.9605 1.9987 4.4481 4.4561 5.7572 5.7639 5.9210 5.9210 6.7537 6.7572 7.6497 7.6518 7.6687 7.6702 10.5598 10.5644 11.8487 11.8513 k = 0.3898 0.5000-0.0000 ( 6839 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2735 -12.2734 -11.0623 -11.0622 -10.3394 -10.3394 -8.7140 -8.7140 -2.0587 -2.0577 -1.7102 -1.7081 -0.5261 -0.5213 -0.4354 -0.4316 0.1742 0.1752 1.0791 1.0791 1.6983 1.7459 1.8049 1.8156 1.9819 2.0219 4.4389 4.4477 5.7554 5.7627 5.8992 5.8995 6.7600 6.7636 7.6777 7.6819 7.6868 7.6902 10.5253 10.5299 11.7807 11.7830 k = 0.3764 0.5000-0.0000 ( 6840 PWs) bands (ev): -71.2443 -71.2443 -71.2441 -71.2441 -38.1918 -38.1918 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2781 -12.2779 -11.0640 -11.0639 -10.3414 -10.3414 -8.7076 -8.7075 -2.0524 -2.0513 -1.7098 -1.7075 -0.5155 -0.5102 -0.4407 -0.4368 0.1746 0.1764 1.0827 1.0840 1.7082 1.7564 1.8069 1.8181 2.0049 2.0464 4.4285 4.4382 5.7531 5.7612 5.8757 5.8764 6.7669 6.7705 7.7017 7.7042 7.7175 7.7191 10.4836 10.4881 11.7119 11.7134 k = 0.3629 0.5000-0.0000 ( 6848 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2830 -12.2829 -11.0658 -11.0658 -10.3436 -10.3436 -8.7006 -8.7005 -2.0453 -2.0442 -1.7095 -1.7070 -0.5043 -0.4984 -0.4467 -0.4426 0.1760 0.1787 1.0858 1.0886 1.7205 1.7688 1.8097 1.8212 2.0293 2.0718 4.4169 4.4275 5.7504 5.7592 5.8509 5.8519 6.7743 6.7779 7.7224 7.7238 7.7551 7.7556 10.4341 10.4382 11.6446 11.6451 k = 0.3495 0.5000-0.0000 ( 6841 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1913 -38.1912 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2883 -12.2882 -11.0678 -11.0678 -10.3460 -10.3460 -8.6931 -8.6930 -2.0376 -2.0364 -1.7091 -1.7065 -0.4930 -0.4867 -0.4525 -0.4485 0.1785 0.1822 1.0881 1.0927 1.7352 1.7827 1.8137 1.8252 2.0547 2.0979 4.4042 4.4155 5.7473 5.7567 5.8250 5.8264 6.7824 6.7860 7.7427 7.7438 7.7962 7.7962 10.3764 10.3799 11.5799 11.5808 k = 0.3361 0.5000-0.0000 ( 6839 PWs) bands (ev): -71.2443 -71.2443 -71.2441 -71.2441 -38.1918 -38.1918 -38.1913 -38.1912 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2940 -12.2938 -11.0699 -11.0699 -10.3485 -10.3485 -8.6852 -8.6851 -2.0291 -2.0278 -1.7089 -1.7062 -0.4840 -0.4787 -0.4547 -0.4522 0.1821 0.1870 1.0897 1.0962 1.7518 1.7967 1.8203 1.8304 2.0808 2.1245 4.3904 4.4024 5.7436 5.7536 5.7983 5.8002 6.7912 6.7946 7.7629 7.7640 7.8401 7.8404 10.3104 10.3132 11.5192 11.5216 k = 0.3226 0.5000-0.0000 ( 6842 PWs) bands (ev): -71.2443 -71.2443 -71.2441 -71.2441 -38.1918 -38.1918 -38.1913 -38.1912 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2998 -12.2997 -11.0721 -11.0721 -10.3512 -10.3511 -8.6769 -8.6768 -2.0199 -2.0186 -1.7087 -1.7059 -0.4826 -0.4808 -0.4484 -0.4468 0.1867 0.1928 1.0907 1.0991 1.7698 1.8081 1.8324 1.8371 2.1074 2.1515 4.3754 4.3880 5.7394 5.7498 5.7712 5.7735 6.8005 6.8038 7.7827 7.7839 7.8871 7.8876 10.2365 10.2384 11.4636 11.4675 k = 0.3092 0.5000-0.0000 ( 6850 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1913 -38.1912 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.3060 -12.3058 -11.0744 -11.0744 -10.3539 -10.3539 -8.6683 -8.6682 -2.0101 -2.0087 -1.7087 -1.7058 -0.4890 -0.4890 -0.4367 -0.4329 0.1922 0.1996 1.0912 1.1015 1.7883 1.8161 1.8463 1.8506 2.1343 2.1786 4.3593 4.3725 5.7341 5.7419 5.7469 5.7475 6.8105 6.8137 7.8018 7.8031 7.9368 7.9374 10.1554 10.1564 11.4129 11.4183 k = 0.2957 0.5000-0.0000 ( 6846 PWs) bands (ev): -71.2443 -71.2443 -71.2441 -71.2441 -38.1918 -38.1918 -38.1913 -38.1912 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.3122 -12.3121 -11.0768 -11.0768 -10.3567 -10.3567 -8.6594 -8.6594 -1.9997 -1.9982 -1.7087 -1.7058 -0.4992 -0.4987 -0.4218 -0.4169 0.1986 0.2072 1.0913 1.1036 1.8057 1.8230 1.8590 1.8725 2.1611 2.2056 4.3421 4.3557 5.7159 5.7184 5.7304 5.7412 6.8211 6.8242 7.8199 7.8215 7.9891 7.9898 10.0682 10.0683 11.3664 11.3731 k = 0.2823 0.5000-0.0000 ( 6849 PWs) bands (ev): -71.2443 -71.2443 -71.2441 -71.2441 -38.1918 -38.1918 -38.1913 -38.1912 -37.9180 -37.9179 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.3186 -12.3185 -11.0792 -11.0792 -10.3596 -10.3596 -8.6504 -8.6504 -1.9887 -1.9872 -1.7089 -1.7060 -0.5103 -0.5097 -0.4054 -0.4000 0.2055 0.2153 1.0913 1.1053 1.8210 1.8299 1.8762 1.8967 2.1879 2.2323 4.3238 4.3378 5.6889 5.6922 5.7240 5.7354 6.8324 6.8354 7.8366 7.8385 8.0435 8.0443 9.9755 9.9762 11.3230 11.3307 k = 0.2688 0.5000-0.0000 ( 6855 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1912 -38.1912 -37.9180 -37.9179 -37.9176 -37.9175 -37.8834 -37.8834 -37.8821 -37.8821 -12.3251 -12.3250 -11.0817 -11.0816 -10.3626 -10.3626 -8.6413 -8.6413 -1.9771 -1.9757 -1.7092 -1.7063 -0.5220 -0.5215 -0.3882 -0.3825 0.2127 0.2236 1.0914 1.1070 1.8341 1.8374 1.8978 1.9226 2.2142 2.2586 4.3045 4.3188 5.6624 5.6661 5.7174 5.7291 6.8444 6.8473 7.8516 7.8538 8.0999 8.1008 9.8795 9.8809 11.2814 11.2895 k = 0.2554 0.5000-0.0000 ( 6859 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1912 -38.1912 -37.9180 -37.9180 -37.9176 -37.9175 -37.8834 -37.8834 -37.8821 -37.8821 -12.3316 -12.3315 -11.0842 -11.0841 -10.3655 -10.3655 -8.6322 -8.6322 -1.9652 -1.9637 -1.7096 -1.7067 -0.5340 -0.5337 -0.3705 -0.3646 0.2200 0.2320 1.0917 1.1088 1.8458 1.8459 1.9226 1.9496 2.2401 2.2842 4.2841 4.2987 5.6367 5.6407 5.7103 5.7222 6.8570 6.8598 7.8647 7.8673 8.1580 8.1590 9.7815 9.7835 11.2402 11.2483 k = 0.2420 0.5000-0.0000 ( 6847 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1912 -38.1912 -37.9179 -37.9179 -37.9176 -37.9175 -37.8834 -37.8834 -37.8821 -37.8821 -12.3381 -12.3380 -11.0867 -11.0866 -10.3685 -10.3685 -8.6231 -8.6231 -1.9528 -1.9513 -1.7101 -1.7073 -0.5461 -0.5459 -0.3526 -0.3466 0.2271 0.2400 1.0926 1.1109 1.8550 1.8572 1.9494 1.9773 2.2652 2.3091 4.2629 4.2775 5.6120 5.6162 5.7028 5.7147 6.8702 6.8729 7.8756 7.8786 8.2175 8.2185 9.6830 9.6855 11.1987 11.2062 k = 0.2285 0.5000-0.0000 ( 6847 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1912 -38.1912 -37.9179 -37.9179 -37.9175 -37.9175 -37.8834 -37.8834 -37.8821 -37.8821 -12.3446 -12.3444 -11.0891 -11.0891 -10.3715 -10.3715 -8.6141 -8.6140 -1.9402 -1.9387 -1.7107 -1.7080 -0.5580 -0.5580 -0.3345 -0.3285 0.2338 0.2475 1.0941 1.1134 1.8651 1.8688 1.9772 2.0056 2.2895 2.3329 4.2408 4.2554 5.5884 5.5928 5.6948 5.7066 6.8839 6.8866 7.8841 7.8876 8.2779 8.2790 9.5849 9.5878 11.1561 11.1627 k = 0.2151 0.5000-0.0000 ( 6850 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1912 -38.1912 -37.9179 -37.9179 -37.9175 -37.9175 -37.8833 -37.8833 -37.8821 -37.8821 -12.3509 -12.3507 -11.0916 -11.0915 -10.3744 -10.3744 -8.6053 -8.6052 -1.9273 -1.9259 -1.7114 -1.7088 -0.5699 -0.5697 -0.3166 -0.3106 0.2399 0.2541 1.0964 1.1164 1.8761 1.8807 2.0057 2.0340 2.3128 2.3557 4.2179 4.2325 5.5662 5.5706 5.6864 5.6981 6.8980 6.9007 7.8902 7.8941 8.3390 8.3401 9.4883 9.4915 11.1125 11.1180 k = 0.2016 0.5000-0.0000 ( 6851 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1912 -38.1912 -37.9179 -37.9179 -37.9175 -37.9175 -37.8833 -37.8833 -37.8821 -37.8821 -12.3571 -12.3569 -11.0940 -11.0939 -10.3772 -10.3772 -8.5966 -8.5966 -1.9144 -1.9130 -1.7122 -1.7097 -0.5813 -0.5809 -0.2989 -0.2930 0.2452 0.2597 1.0997 1.1200 1.8880 1.8933 2.0342 2.0622 2.3350 2.3772 4.1945 4.2089 5.5455 5.5500 5.6778 5.6893 6.9125 6.9152 7.8938 7.8981 8.4004 8.4015 9.3941 9.3975 11.0682 11.0724 k = 0.1882 0.5000-0.0000 ( 6849 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1912 -38.1912 -37.9179 -37.9179 -37.9175 -37.9175 -37.8834 -37.8834 -37.8821 -37.8821 -12.3631 -12.3629 -11.0963 -11.0962 -10.3800 -10.3800 -8.5883 -8.5882 -1.9015 -1.9001 -1.7131 -1.7107 -0.5922 -0.5917 -0.2815 -0.2758 0.2495 0.2642 1.1039 1.1244 1.9007 1.9064 2.0624 2.0901 2.3559 2.3973 4.1706 4.1847 5.5264 5.5308 5.6690 5.6802 6.9272 6.9300 7.8951 7.8996 8.4615 8.4626 9.3031 9.3065 11.0237 11.0266 k = 0.1747 0.5000-0.0000 ( 6854 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1912 -38.1912 -37.9179 -37.9179 -37.9175 -37.9175 -37.8833 -37.8833 -37.8821 -37.8821 -12.3688 -12.3687 -11.0985 -11.0985 -10.3827 -10.3827 -8.5803 -8.5802 -1.8887 -1.8874 -1.7140 -1.7117 -0.6024 -0.6017 -0.2647 -0.2592 0.2528 0.2674 1.1092 1.1294 1.9140 1.9200 2.0901 2.1172 2.3757 2.4160 4.1465 4.1602 5.5090 5.5133 5.6601 5.6709 6.9420 6.9447 7.8940 7.8988 8.5220 8.5231 9.2158 9.2192 10.9797 10.9814 k = 0.1613 0.5000-0.0000 ( 6855 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1912 -38.1912 -37.9179 -37.9179 -37.9175 -37.9175 -37.8833 -37.8833 -37.8821 -37.8821 -12.3743 -12.3742 -11.1007 -11.1006 -10.3853 -10.3853 -8.5726 -8.5726 -1.8762 -1.8750 -1.7149 -1.7128 -0.6119 -0.6111 -0.2486 -0.2434 0.2551 0.2694 1.1153 1.1350 1.9280 1.9340 2.1170 2.1434 2.3940 2.4331 4.1223 4.1355 5.4933 5.4975 5.6513 5.6616 6.9567 6.9594 7.8909 7.8959 8.5814 8.5825 9.1329 9.1361 10.9368 10.9374 k = 0.1479 0.5000-0.0000 ( 6855 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1917 -38.1912 -38.1911 -37.9179 -37.9179 -37.9175 -37.9175 -37.8833 -37.8833 -37.8821 -37.8821 -12.3795 -12.3794 -11.1027 -11.1026 -10.3877 -10.3877 -8.5654 -8.5654 -1.8640 -1.8629 -1.7158 -1.7139 -0.6206 -0.6197 -0.2333 -0.2284 0.2563 0.2701 1.1222 1.1411 1.9423 1.9483 2.1429 2.1684 2.4110 2.4486 4.0983 4.1109 5.4794 5.4834 5.6427 5.6524 6.9711 6.9738 7.8861 7.8911 8.6392 8.6402 9.0548 9.0578 10.8953 10.8956 k = 0.1344 0.5000-0.0000 ( 6855 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1917 -38.1912 -38.1911 -37.9179 -37.9179 -37.9175 -37.9175 -37.8833 -37.8833 -37.8821 -37.8821 -12.3843 -12.3842 -11.1046 -11.1045 -10.3900 -10.3900 -8.5587 -8.5587 -1.8524 -1.8514 -1.7167 -1.7149 -0.6284 -0.6275 -0.2190 -0.2143 0.2566 0.2698 1.1297 1.1477 1.9568 1.9626 2.1675 2.1920 2.4266 2.4624 4.0749 4.0868 5.4672 5.4710 5.6344 5.6434 6.9851 6.9877 7.8799 7.8848 8.6947 8.6957 8.9820 8.9847 10.8556 10.8567 k = 0.1210 0.5000-0.0000 ( 6856 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1912 -38.1911 -37.9179 -37.9179 -37.9175 -37.9175 -37.8833 -37.8833 -37.8821 -37.8821 -12.3888 -12.3887 -11.1063 -11.1063 -10.3921 -10.3921 -8.5525 -8.5524 -1.8415 -1.8405 -1.7176 -1.7160 -0.6354 -0.6345 -0.2056 -0.2013 0.2562 0.2684 1.1377 1.1544 1.9712 1.9768 2.1906 2.2139 2.4407 2.4745 4.0522 4.0633 5.4567 5.4602 5.6265 5.6348 6.9984 7.0010 7.8728 7.8775 8.7475 8.7484 8.9148 8.9171 10.8188 10.8205 k = 0.1075 0.5000-0.0000 ( 6856 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1912 -38.1911 -37.9179 -37.9179 -37.9175 -37.9175 -37.8833 -37.8833 -37.8821 -37.8821 -12.3929 -12.3928 -11.1079 -11.1079 -10.3940 -10.3940 -8.5468 -8.5468 -1.8313 -1.8305 -1.7184 -1.7170 -0.6415 -0.6406 -0.1934 -0.1895 0.2550 0.2663 1.1458 1.1611 1.9853 1.9906 2.2121 2.2339 2.4535 2.4849 4.0307 4.0409 5.4478 5.4509 5.6191 5.6267 7.0109 7.0133 7.8652 7.8696 8.7968 8.7976 8.8537 8.8554 10.7853 10.7872 k = 0.0941 0.5000-0.0000 ( 6865 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1912 -38.1911 -37.9179 -37.9179 -37.9175 -37.9175 -37.8833 -37.8833 -37.8821 -37.8821 -12.3965 -12.3965 -11.1094 -11.1093 -10.3957 -10.3957 -8.5417 -8.5417 -1.8220 -1.8213 -1.7191 -1.7179 -0.6468 -0.6459 -0.1824 -0.1790 0.2535 0.2636 1.1539 1.1676 1.9988 2.0037 2.2318 2.2519 2.4649 2.4936 4.0107 4.0198 5.4404 5.4432 5.6125 5.6192 7.0223 7.0246 7.8576 7.8615 8.7976 8.7995 8.8427 8.8439 10.7552 10.7573 k = 0.0807 0.5000-0.0000 ( 6857 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1911 -37.9179 -37.9179 -37.9175 -37.9174 -37.8833 -37.8833 -37.8821 -37.8821 -12.3998 -12.3997 -11.1106 -11.1106 -10.3973 -10.3973 -8.5373 -8.5373 -1.8137 -1.8131 -1.7198 -1.7188 -0.6512 -0.6504 -0.1727 -0.1697 0.2517 0.2605 1.1616 1.1736 2.0114 2.0157 2.2496 2.2676 2.4750 2.5006 3.9925 4.0005 5.4344 5.4368 5.6065 5.6124 7.0326 7.0346 7.8503 7.8537 8.7493 8.7506 8.8835 8.8845 10.7289 10.7310 k = 0.0672 0.5000-0.0000 ( 6855 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1911 -37.9179 -37.9179 -37.9175 -37.9174 -37.8833 -37.8833 -37.8821 -37.8821 -12.4025 -12.4025 -11.1117 -11.1117 -10.3986 -10.3986 -8.5335 -8.5335 -1.8065 -1.8060 -1.7204 -1.7195 -0.6549 -0.6541 -0.1644 -0.1619 0.2499 0.2574 1.1688 1.1790 2.0227 2.0265 2.2652 2.2809 2.4838 2.5059 3.9765 3.9834 5.4296 5.4316 5.6014 5.6064 7.0415 7.0432 7.8437 7.8466 8.7075 8.7085 8.9194 8.9201 10.7064 10.7085 k = 0.0538 0.5000-0.0000 ( 6845 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1911 -37.9179 -37.9179 -37.9174 -37.9174 -37.8833 -37.8833 -37.8820 -37.8820 -12.4048 -12.4047 -11.1126 -11.1126 -10.3996 -10.3996 -8.5303 -8.5303 -1.8004 -1.8001 -1.7208 -1.7202 -0.6577 -0.6571 -0.1574 -0.1554 0.2482 0.2543 1.1753 1.1835 2.0326 2.0357 2.2786 2.2916 2.4915 2.5097 3.9630 3.9686 5.4259 5.4275 5.5972 5.6012 7.0489 7.0504 7.8381 7.8404 8.6727 8.6734 8.9496 8.9502 10.6881 10.6898 k = 0.0403 0.5000-0.0000 ( 6857 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1911 -37.9179 -37.9179 -37.9175 -37.9174 -37.8833 -37.8833 -37.8820 -37.8820 -12.4066 -12.4065 -11.1133 -11.1133 -10.4005 -10.4005 -8.5279 -8.5278 -1.7957 -1.7954 -1.7212 -1.7207 -0.6599 -0.6594 -0.1519 -0.1504 0.2469 0.2515 1.1807 1.1869 2.0407 2.0430 2.2895 2.2997 2.4979 2.5120 3.9523 3.9566 5.4233 5.4245 5.5940 5.5971 7.0548 7.0559 7.8336 7.8354 8.6453 8.6457 8.9736 8.9741 10.6737 10.6751 k = 0.0269 0.5000-0.0000 ( 6849 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1911 -37.9179 -37.9179 -37.9174 -37.9174 -37.8833 -37.8833 -37.8820 -37.8820 -12.4079 -12.4078 -11.1138 -11.1138 -10.4011 -10.4011 -8.5261 -8.5261 -1.7922 -1.7921 -1.7214 -1.7211 -0.6614 -0.6611 -0.1479 -0.1469 0.2461 0.2492 1.1850 1.1892 2.0467 2.0483 2.2980 2.3049 2.5032 2.5128 3.9448 3.9476 5.4215 5.4223 5.5919 5.5939 7.0591 7.0599 7.8305 7.8317 8.6256 8.6258 8.9912 8.9915 10.6635 10.6645 k = 0.0134 0.5000-0.0000 ( 6851 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1911 -37.9179 -37.9179 -37.9174 -37.9174 -37.8833 -37.8833 -37.8820 -37.8820 -12.4086 -12.4086 -11.1141 -11.1141 -10.4015 -10.4015 -8.5250 -8.5250 -1.7901 -1.7900 -1.7215 -1.7214 -0.6622 -0.6621 -0.1454 -0.1449 0.2459 0.2474 1.1880 1.1901 2.0506 2.0514 2.3039 2.3074 2.5074 2.5122 3.9404 3.9419 5.4206 5.4210 5.5908 5.5918 7.0618 7.0622 7.8287 7.8293 8.6136 8.6137 9.0018 9.0020 10.6575 10.6580 k = 0.0000 0.5000-0.0000 ( 6844 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1911 -37.9179 -37.9179 -37.9174 -37.9174 -37.8833 -37.8833 -37.8820 -37.8820 -12.4089 -12.4089 -11.1142 -11.1142 -10.4016 -10.4016 -8.5247 -8.5247 -1.7894 -1.7894 -1.7215 -1.7215 -0.6624 -0.6624 -0.1444 -0.1444 0.2463 0.2463 1.1898 1.1898 2.0522 2.0522 2.3070 2.3070 2.5104 2.5104 3.9394 3.9394 5.4204 5.4204 5.5907 5.5907 7.0628 7.0628 7.8283 7.8283 8.6096 8.6096 9.0055 9.0055 10.6557 10.6557 k = 0.0000 0.5000-0.0000 ( 6844 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1911 -37.9179 -37.9179 -37.9174 -37.9174 -37.8833 -37.8833 -37.8820 -37.8820 -12.4089 -12.4089 -11.1142 -11.1142 -10.4016 -10.4016 -8.5247 -8.5247 -1.7894 -1.7894 -1.7215 -1.7215 -0.6624 -0.6624 -0.1444 -0.1444 0.2463 0.2463 1.1898 1.1898 2.0522 2.0522 2.3070 2.3070 2.5104 2.5104 3.9394 3.9394 5.4204 5.4204 5.5907 5.5907 7.0628 7.0628 7.8283 7.8283 8.6096 8.6096 9.0055 9.0055 10.6557 10.6557 k = 0.0000 0.5000 0.0132 ( 6850 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1911 -37.9179 -37.9179 -37.9174 -37.9174 -37.8833 -37.8833 -37.8820 -37.8820 -12.4080 -12.4080 -11.1198 -11.1197 -10.3955 -10.3954 -8.5263 -8.5262 -1.7997 -1.7915 -1.7190 -1.7111 -0.6679 -0.6644 -0.1426 -0.1382 0.2457 0.2484 1.1894 1.1927 2.0399 2.0494 2.3042 2.3159 2.5102 2.5150 3.9383 3.9396 5.4194 5.4216 5.5909 5.5912 7.0633 7.0640 7.8278 7.8298 8.5999 8.6018 9.0151 9.0181 10.6542 10.6546 k = 0.0000 0.5000 0.0265 ( 6852 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1911 -37.9179 -37.9179 -37.9174 -37.9174 -37.8833 -37.8833 -37.8821 -37.8820 -12.4054 -12.4054 -11.1357 -11.1356 -10.3777 -10.3775 -8.5311 -8.5310 -1.8158 -1.8039 -1.7055 -1.6941 -0.6803 -0.6734 -0.1333 -0.1245 0.2465 0.2520 1.1915 1.1980 2.0158 2.0323 2.3060 2.3263 2.5152 2.5248 3.9362 3.9387 5.4187 5.4229 5.5916 5.5922 7.0655 7.0668 7.8281 7.8321 8.5756 8.5788 9.0446 9.0501 10.6504 10.6511 k = 0.0000 0.5000 0.0397 ( 6854 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1911 -37.9179 -37.9179 -37.9174 -37.9174 -37.8833 -37.8833 -37.8821 -37.8820 -12.4010 -12.4010 -11.1607 -11.1605 -10.3497 -10.3494 -8.5391 -8.5390 -1.8337 -1.8204 -1.6874 -1.6750 -0.6982 -0.6885 -0.1174 -0.1046 0.2489 0.2571 1.1962 1.2056 1.9840 2.0048 2.3066 2.3314 2.5282 2.5422 3.9331 3.9367 5.4182 5.4245 5.5928 5.5937 7.0694 7.0713 7.8289 7.8351 8.5427 8.5463 9.0885 9.0956 10.6444 10.6455 k = 0.0000 0.5000 0.0529 ( 6854 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1911 -37.9179 -37.9179 -37.9175 -37.9174 -37.8833 -37.8833 -37.8821 -37.8820 -12.3949 -12.3948 -11.1927 -11.1926 -10.3132 -10.3129 -8.5503 -8.5501 -1.8515 -1.8377 -1.6681 -1.6555 -0.7203 -0.7081 -0.0964 -0.0800 0.2532 0.2641 1.2031 1.2152 1.9479 1.9712 2.3007 2.3265 2.5509 2.5686 3.9287 3.9334 5.4182 5.4263 5.5944 5.5956 7.0749 7.0774 7.8299 7.8382 8.5063 8.5096 9.1419 9.1501 10.6368 10.6383 k = 0.0000 0.5000 0.0661 ( 6856 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1912 -38.1911 -37.9179 -37.9178 -37.9175 -37.9174 -37.8833 -37.8833 -37.8821 -37.8821 -12.3870 -12.3870 -11.2302 -11.2300 -10.2702 -10.2699 -8.5645 -8.5643 -1.8686 -1.8546 -1.6490 -1.6367 -0.7451 -0.7309 -0.0721 -0.0522 0.2596 0.2733 1.2122 1.2266 1.9097 1.9343 2.2861 2.3114 2.5824 2.6031 3.9230 3.9286 5.4187 5.4285 5.5962 5.5977 7.0820 7.0851 7.8302 7.8407 8.4701 8.4727 9.2015 9.2104 10.6282 10.6300 k = 0.0000 0.5000 0.0794 ( 6856 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1912 -38.1911 -37.9179 -37.9178 -37.9175 -37.9174 -37.8833 -37.8832 -37.8821 -37.8821 -12.3774 -12.3774 -11.2715 -11.2712 -10.2221 -10.2218 -8.5819 -8.5816 -1.8846 -1.8706 -1.6309 -1.6190 -0.7711 -0.7553 -0.0460 -0.0230 0.2687 0.2849 1.2230 1.2394 1.8705 1.8961 2.2633 2.2875 2.6206 2.6435 3.9158 3.9222 5.4197 5.4310 5.5981 5.5998 7.0906 7.0944 7.8290 7.8417 8.4366 8.4384 9.2652 9.2746 10.6193 10.6214 k = 0.0000 0.5000 0.0926 ( 6864 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1912 -38.1912 -37.9179 -37.9178 -37.9175 -37.9175 -37.8833 -37.8832 -37.8822 -37.8821 -12.3661 -12.3660 -11.3153 -11.3151 -10.1703 -10.1699 -8.6021 -8.6018 -1.8991 -1.8854 -1.6144 -1.6032 -0.7972 -0.7801 -0.0195 0.0063 0.2811 0.2996 1.2353 1.2531 1.8315 1.8578 2.2335 2.2568 2.6634 2.6878 3.9068 3.9139 5.4213 5.4340 5.5999 5.6019 7.1008 7.1052 7.8253 7.8400 8.4080 8.4089 9.3317 9.3414 10.6109 10.6132 k = 0.0000 0.5000 0.1058 ( 6872 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1912 -38.1912 -37.9179 -37.9178 -37.9175 -37.9175 -37.8833 -37.8832 -37.8822 -37.8821 -12.3531 -12.3530 -11.3609 -11.3607 -10.1157 -10.1152 -8.6253 -8.6249 -1.9122 -1.8987 -1.6000 -1.5896 -0.8224 -0.8042 0.0062 0.0341 0.2978 0.3178 1.2486 1.2673 1.7933 1.8203 2.1983 2.2210 2.7092 2.7346 3.8960 3.9036 5.4237 5.4375 5.6015 5.6038 7.1124 7.1175 7.8180 7.8346 8.3855 8.3864 9.4001 9.4100 10.6036 10.6062 k = 0.0000 0.5000 0.1190 ( 6876 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1912 -38.1912 -37.9179 -37.9178 -37.9175 -37.9175 -37.8833 -37.8832 -37.8822 -37.8822 -12.3384 -12.3383 -11.4075 -11.4073 -10.0590 -10.0586 -8.6513 -8.6509 -1.9236 -1.9104 -1.5881 -1.5786 -0.8459 -0.8270 0.0301 0.0592 0.3193 0.3400 1.2622 1.2813 1.7564 1.7841 2.1589 2.1811 2.7568 2.7828 3.8832 3.8912 5.4267 5.4414 5.6027 5.6053 7.1254 7.1311 7.8062 7.8243 8.3703 8.3720 9.4697 9.4797 10.5982 10.6011 k = 0.0000 0.5000 0.1323 ( 6880 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1912 -38.1912 -37.9179 -37.9178 -37.9175 -37.9175 -37.8833 -37.8832 -37.8823 -37.8822 -12.3220 -12.3219 -11.4546 -11.4544 -10.0009 -10.0004 -8.6799 -8.6795 -1.9334 -1.9205 -1.5790 -1.5706 -0.8672 -0.8478 0.0514 0.0806 0.3463 0.3666 1.2756 1.2945 1.7214 1.7500 2.1163 2.1382 2.8055 2.8318 3.8684 3.8766 5.4303 5.4457 5.6035 5.6064 7.1398 7.1462 7.7895 7.8088 8.3635 8.3658 9.5399 9.5500 10.5954 10.5985 k = 0.0000 0.5000 0.1455 ( 6870 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1916 -38.1912 -38.1912 -37.9178 -37.9178 -37.9175 -37.9175 -37.8832 -37.8831 -37.8823 -37.8822 -12.3040 -12.3039 -11.5017 -11.5015 -9.9419 -9.9414 -8.7111 -8.7106 -1.9414 -1.9290 -1.5731 -1.5655 -0.8856 -0.8660 0.0699 0.0980 0.3786 0.3974 1.2879 1.3060 1.6890 1.7183 2.0716 2.0933 2.8547 2.8809 3.8516 3.8598 5.4346 5.4504 5.6038 5.6070 7.1556 7.1626 7.7680 7.7879 8.3649 8.3675 9.6105 9.6205 10.5957 10.5991 k = 0.0000 0.5000 0.1587 ( 6868 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1916 -38.1913 -38.1912 -37.9178 -37.9178 -37.9175 -37.9175 -37.8832 -37.8831 -37.8823 -37.8822 -12.2844 -12.2843 -11.5486 -11.5483 -9.8824 -9.8819 -8.7446 -8.7441 -1.9478 -1.9359 -1.5702 -1.5636 -0.9009 -0.8815 0.0854 0.1117 0.4157 0.4322 1.2980 1.3149 1.6598 1.6897 2.0258 2.0473 2.9040 2.9297 3.8327 3.8409 5.4393 5.4553 5.6035 5.6071 7.1726 7.1803 7.7424 7.7624 8.3737 8.3763 9.6808 9.6908 10.5994 10.6031 k = 0.0000 0.5000 0.1719 ( 6868 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1916 -38.1913 -38.1912 -37.9178 -37.9178 -37.9176 -37.9175 -37.8832 -37.8831 -37.8824 -37.8823 -12.2633 -12.2632 -11.5948 -11.5946 -9.8228 -9.8223 -8.7803 -8.7798 -1.9525 -1.9412 -1.5703 -1.5645 -0.9131 -0.8942 0.0982 0.1222 0.4565 0.4704 1.3050 1.3202 1.6347 1.6649 1.9797 2.0011 2.9529 2.9778 3.8120 3.8199 5.4445 5.4604 5.6027 5.6066 7.1910 7.1993 7.7133 7.7333 8.3883 8.3908 9.7506 9.7605 10.6068 10.6106 k = 0.0000 0.5000 0.1852 ( 6870 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1913 -38.1912 -37.9178 -37.9178 -37.9176 -37.9175 -37.8831 -37.8830 -37.8824 -37.8823 -12.2406 -12.2405 -11.6403 -11.6401 -9.7635 -9.7630 -8.8179 -8.8174 -1.9557 -1.9452 -1.5731 -1.5679 -0.9223 -0.9043 0.1087 0.1300 0.5000 0.5112 1.3074 1.3209 1.6145 1.6445 1.9345 1.9556 3.0010 3.0249 3.7896 3.7972 5.4499 5.4655 5.6015 5.6057 7.2105 7.2195 7.6819 7.7014 8.4073 8.4096 9.8197 9.8293 10.6176 10.6215 k = 0.0000 0.5000 0.1984 ( 6870 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1913 -38.1913 -37.9178 -37.9178 -37.9176 -37.9175 -37.8831 -37.8830 -37.8824 -37.8823 -12.2166 -12.2165 -11.6847 -11.6845 -9.7051 -9.7046 -8.8571 -8.8565 -1.9575 -1.9479 -1.5779 -1.5733 -0.9288 -0.9121 0.1172 0.1359 0.5451 0.5537 1.3045 1.3163 1.6000 1.6288 1.8911 1.9117 3.0479 3.0704 3.7659 3.7731 5.4555 5.4704 5.5999 5.6043 7.2313 7.2409 7.6489 7.6678 8.4290 8.4310 9.8879 9.8971 10.6307 10.6345 k = 0.0000 0.5000 0.2116 ( 6856 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1915 -38.1913 -38.1912 -37.9178 -37.9177 -37.9176 -37.9175 -37.8831 -37.8829 -37.8825 -37.8823 -12.1914 -12.1913 -11.7278 -11.7276 -9.6479 -9.6474 -8.8974 -8.8968 -1.9582 -1.9495 -1.5842 -1.5801 -0.9329 -0.9178 0.1241 0.1401 0.5905 0.5969 1.2957 1.3063 1.5914 1.6181 1.8507 1.8705 3.0930 3.1138 3.7413 3.7480 5.4611 5.4750 5.5982 5.6025 7.2533 7.2636 7.6150 7.6334 8.4518 8.4536 9.9552 9.9640 10.6438 10.6472 k = 0.0000 0.5000 0.2248 ( 6860 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1915 -38.1913 -38.1913 -37.9178 -37.9177 -37.9176 -37.9175 -37.8830 -37.8829 -37.8825 -37.8824 -12.1652 -12.1650 -11.7693 -11.7691 -9.5928 -9.5923 -8.9381 -8.9376 -1.9579 -1.9503 -1.5912 -1.5876 -0.9351 -0.9220 0.1298 0.1431 0.6349 0.6395 1.2816 1.2914 1.5879 1.6117 1.8141 1.8327 3.1357 3.1544 3.7164 3.7226 5.4666 5.4791 5.5963 5.6005 7.2765 7.2873 7.5810 7.5986 8.4742 8.4758 10.0219 10.0300 10.6504 10.6533 k = 0.0000 0.5000 0.2381 ( 6858 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1915 -38.1914 -38.1913 -37.9178 -37.9177 -37.9176 -37.9176 -37.8830 -37.8828 -37.8826 -37.8824 -12.1383 -12.1382 -11.8087 -11.8085 -9.5408 -9.5404 -8.9782 -8.9777 -1.9569 -1.9506 -1.5981 -1.5951 -0.9359 -0.9251 0.1344 0.1450 0.6767 0.6802 1.2639 1.2730 1.5887 1.6090 1.7824 1.7992 3.1749 3.1911 3.6923 3.6979 5.4718 5.4824 5.5945 5.5984 7.3008 7.3122 7.5473 7.5642 8.4948 8.4962 10.0882 10.0956 10.6366 10.6392 k = 0.0000 0.5000 0.2513 ( 6856 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1913 -37.9177 -37.9177 -37.9176 -37.9176 -37.8829 -37.8828 -37.8826 -37.8825 -12.1117 -12.1116 -11.8451 -11.8450 -9.4937 -9.4933 -9.0161 -9.0156 -1.9555 -1.9506 -1.6043 -1.6019 -0.9357 -0.9274 0.1380 0.1460 0.7139 0.7166 1.2451 1.2532 1.5923 1.6085 1.7566 1.7708 3.2094 3.2225 3.6703 3.6751 5.4765 5.4849 5.5931 5.5963 7.3261 7.3379 7.5146 7.5305 8.5124 8.5135 10.1545 10.1610 10.5916 10.5935 k = 0.0000 0.5000 0.2645 ( 6858 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1914 -38.1914 -38.1913 -37.9177 -37.9177 -37.9176 -37.9176 -37.8829 -37.8827 -37.8827 -37.8825 -12.0869 -12.0868 -11.8770 -11.8768 -9.4542 -9.4538 -9.0489 -9.0485 -1.9540 -1.9507 -1.6090 -1.6073 -0.9349 -0.9292 0.1410 0.1463 0.7440 0.7461 1.2285 1.2346 1.5975 1.6090 1.7378 1.7483 3.2373 3.2467 3.6523 3.6560 5.4804 5.4863 5.5921 5.5945 7.3520 7.3640 7.4835 7.4982 8.5259 8.5267 10.2206 10.2261 10.5273 10.5290 k = 0.0000 0.5000 0.2778 ( 6860 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1914 -38.1914 -38.1914 -37.9177 -37.9177 -37.9176 -37.9176 -37.8828 -37.8827 -37.8827 -37.8826 -12.0674 -12.0673 -11.9007 -11.9006 -9.4268 -9.4266 -9.0722 -9.0720 -1.9527 -1.9510 -1.6119 -1.6110 -0.9337 -0.9308 0.1432 0.1459 0.7642 0.7654 1.2173 1.2207 1.6027 1.6088 1.7271 1.7328 3.2565 3.2615 3.6407 3.6427 5.4836 5.4866 5.5918 5.5930 7.3774 7.3877 7.4569 7.4686 8.5344 8.5348 10.2842 10.2883 10.4610 10.4630 k = 0.0000 0.5000 0.2910 ( 6868 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1914 -37.9177 -37.9177 -37.9176 -37.9176 -37.8828 -37.8828 -37.8826 -37.8826 -12.0595 -12.0595 -11.9099 -11.9099 -9.4167 -9.4167 -9.0808 -9.0808 -1.9516 -1.9516 -1.6126 -1.6126 -0.9323 -0.9323 0.1449 0.1449 0.7717 0.7717 1.2144 1.2144 1.6068 1.6068 1.7254 1.7254 3.2650 3.2650 3.6372 3.6372 5.4856 5.4856 5.5921 5.5921 7.3957 7.3957 7.4485 7.4485 8.5374 8.5374 10.3239 10.3239 10.4227 10.4227 k = 0.0000 0.5000 0.2910 ( 6868 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1914 -37.9177 -37.9177 -37.9176 -37.9176 -37.8828 -37.8828 -37.8826 -37.8826 -12.0595 -12.0595 -11.9099 -11.9099 -9.4167 -9.4167 -9.0808 -9.0808 -1.9516 -1.9516 -1.6126 -1.6126 -0.9323 -0.9323 0.1449 0.1449 0.7717 0.7717 1.2144 1.2144 1.6068 1.6068 1.7254 1.7254 3.2650 3.2650 3.6372 3.6372 5.4856 5.4856 5.5921 5.5921 7.3957 7.3957 7.4485 7.4485 8.5374 8.5374 10.3239 10.3239 10.4227 10.4227 k = 0.0134 0.5000 0.2910 ( 6874 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1914 -37.9177 -37.9177 -37.9176 -37.9176 -37.8828 -37.8828 -37.8826 -37.8826 -12.0592 -12.0591 -11.9098 -11.9098 -9.4165 -9.4165 -9.0812 -9.0812 -1.9516 -1.9515 -1.6133 -1.6130 -0.9326 -0.9317 0.1427 0.1434 0.7703 0.7730 1.2137 1.2144 1.6049 1.6070 1.7248 1.7274 3.2653 3.2660 3.6363 3.6367 5.4854 5.4855 5.5929 5.5931 7.3948 7.3951 7.4475 7.4476 8.5383 8.5384 10.3216 10.3222 10.4237 10.4238 k = 0.0269 0.5000 0.2910 ( 6874 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1914 -37.9177 -37.9177 -37.9176 -37.9176 -37.8828 -37.8828 -37.8826 -37.8826 -12.0582 -12.0581 -11.9095 -11.9095 -9.4161 -9.4161 -9.0825 -9.0824 -1.9513 -1.9511 -1.6151 -1.6144 -0.9327 -0.9309 0.1370 0.1383 0.7686 0.7741 1.2122 1.2136 1.6013 1.6054 1.7256 1.7308 3.2670 3.2685 3.6340 3.6348 5.4846 5.4848 5.5956 5.5960 7.3924 7.3930 7.4448 7.4450 8.5411 8.5412 10.3155 10.3168 10.4269 10.4271 k = 0.0403 0.5000 0.2910 ( 6876 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1914 -37.9177 -37.9177 -37.9177 -37.9176 -37.8828 -37.8828 -37.8826 -37.8826 -12.0565 -12.0565 -11.9090 -11.9090 -9.4154 -9.4154 -9.0845 -9.0845 -1.9508 -1.9505 -1.6179 -1.6170 -0.9326 -0.9299 0.1277 0.1297 0.7668 0.7749 1.2099 1.2121 1.5962 1.6023 1.7276 1.7353 3.2701 3.2723 3.6303 3.6314 5.4834 5.4837 5.6001 5.6006 7.3883 7.3893 7.4403 7.4406 8.5461 8.5464 10.3063 10.3082 10.4320 10.4323 k = 0.0538 0.5000 0.2910 ( 6872 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1914 -37.9177 -37.9177 -37.9177 -37.9176 -37.8828 -37.8828 -37.8826 -37.8826 -12.0543 -12.0542 -11.9084 -11.9084 -9.4144 -9.4144 -9.0874 -9.0873 -1.9502 -1.9498 -1.6218 -1.6207 -0.9320 -0.9285 0.1151 0.1177 0.7650 0.7756 1.2066 1.2096 1.5897 1.5977 1.7309 1.7410 3.2745 3.2773 3.6254 3.6268 5.4818 5.4822 5.6063 5.6070 7.3823 7.3837 7.4341 7.4345 8.5539 8.5544 10.2947 10.2969 10.4389 10.4393 k = 0.0672 0.5000 0.2910 ( 6868 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1914 -37.9177 -37.9177 -37.9177 -37.9176 -37.8828 -37.8828 -37.8826 -37.8826 -12.0513 -12.0513 -11.9075 -11.9075 -9.4132 -9.4132 -9.0910 -9.0910 -1.9493 -1.9488 -1.6269 -1.6254 -0.9310 -0.9267 0.0993 0.1024 0.7630 0.7760 1.2024 1.2060 1.5820 1.5919 1.7351 1.7475 3.2800 3.2833 3.6192 3.6210 5.4798 5.4803 5.6140 5.6148 7.3741 7.3760 7.4264 7.4267 8.5653 8.5659 10.2812 10.2837 10.4474 10.4478 k = 0.0807 0.5000 0.2910 ( 6862 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1914 -37.9177 -37.9177 -37.9177 -37.9176 -37.8828 -37.8828 -37.8826 -37.8826 -12.0478 -12.0477 -11.9065 -11.9065 -9.4117 -9.4117 -9.0955 -9.0954 -1.9483 -1.9477 -1.6330 -1.6313 -0.9294 -0.9244 0.0806 0.0841 0.7610 0.7762 1.1970 1.2013 1.5736 1.5851 1.7401 1.7545 3.2865 3.2903 3.6121 3.6141 5.4774 5.4780 5.6230 5.6239 7.3637 7.3661 7.4171 7.4175 8.5807 8.5815 10.2664 10.2690 10.4572 10.4576 k = 0.0941 0.5000 0.2910 ( 6864 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1914 -37.9177 -37.9177 -37.9177 -37.9176 -37.8828 -37.8828 -37.8827 -37.8826 -12.0437 -12.0436 -11.9053 -11.9053 -9.4099 -9.4099 -9.1006 -9.1005 -1.9472 -1.9465 -1.6401 -1.6383 -0.9271 -0.9215 0.0591 0.0631 0.7590 0.7762 1.1902 1.1953 1.5647 1.5777 1.7456 1.7619 3.2939 3.2981 3.6040 3.6063 5.4748 5.4755 5.6330 5.6339 7.3508 7.3537 7.4065 7.4069 8.6008 8.6019 10.2506 10.2533 10.4684 10.4688 k = 0.1075 0.5000 0.2910 ( 6870 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1914 -37.9177 -37.9177 -37.9177 -37.9176 -37.8828 -37.8828 -37.8827 -37.8827 -12.0390 -12.0388 -11.9040 -11.9040 -9.4080 -9.4079 -9.1065 -9.1064 -1.9460 -1.9451 -1.6484 -1.6464 -0.9240 -0.9179 0.0352 0.0395 0.7571 0.7761 1.1820 1.1876 1.5558 1.5700 1.7512 1.7693 3.3018 3.3063 3.5952 3.5976 5.4719 5.4728 5.6438 5.6447 7.3355 7.3390 7.3947 7.3950 8.6259 8.6273 10.2340 10.2367 10.4809 10.4813 k = 0.1210 0.5000 0.2910 ( 6862 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1914 -37.9177 -37.9177 -37.9177 -37.9176 -37.8828 -37.8828 -37.8827 -37.8827 -12.0337 -12.0336 -11.9025 -11.9025 -9.4057 -9.4057 -9.1131 -9.1130 -1.9446 -1.9437 -1.6576 -1.6555 -0.9201 -0.9134 0.0091 0.0137 0.7552 0.7758 1.1722 1.1783 1.5471 1.5624 1.7568 1.7764 3.3103 3.3150 3.5859 3.5884 5.4690 5.4701 5.6549 5.6558 7.3181 7.3222 7.3818 7.3821 8.6563 8.6580 10.2166 10.2193 10.4951 10.4953 k = 0.1344 0.5000 0.2910 ( 6858 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1914 -37.9177 -37.9177 -37.9177 -37.9176 -37.8828 -37.8828 -37.8827 -37.8827 -12.0279 -12.0278 -11.9008 -11.9008 -9.4033 -9.4033 -9.1203 -9.1202 -1.9432 -1.9422 -1.6678 -1.6656 -0.9151 -0.9081 -0.0189 -0.0139 0.7533 0.7754 1.1606 1.1671 1.5390 1.5551 1.7619 1.7828 3.3190 3.3238 3.5761 3.5787 5.4662 5.4674 5.6660 5.6669 7.2988 7.3035 7.3680 7.3683 8.6919 8.6939 10.1984 10.2009 10.5113 10.5113 k = 0.1479 0.5000 0.2910 ( 6856 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1915 -38.1914 -37.9177 -37.9177 -37.9177 -37.9176 -37.8828 -37.8828 -37.8827 -37.8827 -12.0217 -12.0215 -11.8991 -11.8990 -9.4007 -9.4007 -9.1282 -9.1280 -1.9418 -1.9407 -1.6789 -1.6767 -0.9091 -0.9017 -0.0484 -0.0432 0.7516 0.7749 1.1473 1.1540 1.5319 1.5485 1.7664 1.7884 3.3278 3.3326 3.5661 3.5686 5.4635 5.4649 5.6767 5.6776 7.2782 7.2835 7.3535 7.3538 8.7324 8.7346 10.1792 10.1815 10.5295 10.5298 k = 0.1613 0.5000 0.2910 ( 6848 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1915 -38.1914 -37.9177 -37.9177 -37.9177 -37.9176 -37.8828 -37.8828 -37.8827 -37.8827 -12.0150 -12.0148 -11.8972 -11.8972 -9.3979 -9.3979 -9.1366 -9.1364 -1.9403 -1.9392 -1.6908 -1.6886 -0.9020 -0.8944 -0.0791 -0.0738 0.7499 0.7742 1.1322 1.1390 1.5260 1.5428 1.7698 1.7927 3.3365 3.3413 3.5559 3.5584 5.4610 5.4626 5.6867 5.6875 7.2568 7.2626 7.3385 7.3387 8.7773 8.7797 10.1589 10.1610 10.5507 10.5512 k = 0.1747 0.5000 0.2910 ( 6850 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1915 -38.1914 -37.9177 -37.9177 -37.9177 -37.9176 -37.8828 -37.8828 -37.8827 -37.8827 -12.0078 -12.0077 -11.8952 -11.8952 -9.3950 -9.3949 -9.1455 -9.1453 -1.9389 -1.9377 -1.7034 -1.7012 -0.8938 -0.8860 -0.1107 -0.1053 0.7483 0.7734 1.1153 1.1221 1.5213 1.5381 1.7721 1.7957 3.3449 3.3496 3.5458 3.5482 5.4589 5.4608 5.6954 5.6962 7.2352 7.2416 7.3231 7.3232 8.8259 8.8285 10.1375 10.1394 10.5753 10.5761 k = 0.1882 0.5000 0.2910 ( 6852 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1915 -38.1914 -37.9178 -37.9177 -37.9177 -37.9176 -37.8828 -37.8828 -37.8827 -37.8827 -12.0004 -12.0002 -11.8931 -11.8931 -9.3919 -9.3919 -9.1548 -9.1547 -1.9376 -1.9363 -1.7166 -1.7145 -0.8845 -0.8766 -0.1429 -0.1375 0.7468 0.7726 1.0969 1.1036 1.5180 1.5345 1.7729 1.7970 3.3530 3.3575 3.5358 3.5380 5.4574 5.4594 5.7026 5.7033 7.2140 7.2208 7.3076 7.3076 8.8774 8.8802 10.1149 10.1165 10.6040 10.6053 k = 0.2016 0.5000 0.2910 ( 6848 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1915 -38.1914 -37.9178 -37.9177 -37.9177 -37.9176 -37.8828 -37.8828 -37.8827 -37.8827 -11.9925 -11.9923 -11.8909 -11.8909 -9.3887 -9.3887 -9.1646 -9.1644 -1.9363 -1.9350 -1.7303 -1.7282 -0.8741 -0.8661 -0.1755 -0.1701 0.7453 0.7716 1.0771 1.0835 1.5160 1.5321 1.7722 1.7966 3.3606 3.3649 3.5259 3.5279 5.4565 5.4587 5.7081 5.7087 7.1938 7.2010 7.2918 7.2919 8.9312 8.9340 10.0912 10.0926 10.6375 10.6392 k = 0.2151 0.5000 0.2910 ( 6852 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1915 -38.1915 -38.1914 -37.9178 -37.9177 -37.9177 -37.9176 -37.8828 -37.8828 -37.8827 -37.8827 -11.9845 -11.9843 -11.8887 -11.8887 -9.3854 -9.3854 -9.1747 -9.1745 -1.9352 -1.9338 -1.7443 -1.7424 -0.8627 -0.8547 -0.2082 -0.2028 0.7439 0.7706 1.0562 1.0623 1.5152 1.5309 1.7699 1.7944 3.3676 3.3716 3.5163 3.5180 5.4563 5.4587 5.7114 5.7119 7.1750 7.1825 7.2761 7.2763 8.9862 8.9891 10.0665 10.0677 10.6763 10.6785 k = 0.2285 0.5000 0.2910 ( 6852 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1915 -38.1915 -38.1914 -37.9178 -37.9177 -37.9177 -37.9177 -37.8828 -37.8828 -37.8827 -37.8827 -11.9762 -11.9759 -11.8865 -11.8864 -9.3821 -9.3820 -9.1851 -9.1849 -1.9342 -1.9328 -1.7586 -1.7568 -0.8503 -0.8423 -0.2406 -0.2353 0.7425 0.7694 1.0343 1.0401 1.5156 1.5306 1.7658 1.7903 3.3739 3.3777 3.5070 3.5084 5.4569 5.4595 5.7125 5.7130 7.1579 7.1657 7.2606 7.2609 9.0418 9.0447 10.0410 10.0420 10.7210 10.7237 k = 0.2420 0.5000 0.2910 ( 6848 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1915 -38.1915 -38.1914 -37.9178 -37.9177 -37.9177 -37.9177 -37.8828 -37.8828 -37.8827 -37.8827 -11.9677 -11.9675 -11.8842 -11.8841 -9.3787 -9.3786 -9.1956 -9.1955 -1.9334 -1.9319 -1.7730 -1.7713 -0.8370 -0.8291 -0.2726 -0.2675 0.7412 0.7681 1.0119 1.0173 1.5170 1.5313 1.7602 1.7844 3.3795 3.3830 3.4979 3.4990 5.4584 5.4611 5.7114 5.7119 7.1427 7.1507 7.2454 7.2457 9.0970 9.0999 10.0150 10.0158 10.7719 10.7751 k = 0.2554 0.5000 0.2910 ( 6856 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1915 -38.1915 -38.1914 -37.9178 -37.9178 -37.9177 -37.9177 -37.8828 -37.8828 -37.8827 -37.8827 -11.9591 -11.9589 -11.8819 -11.8818 -9.3753 -9.3752 -9.2064 -9.2062 -1.9328 -1.9313 -1.7874 -1.7858 -0.8230 -0.8152 -0.3040 -0.2990 0.7398 0.7666 0.9891 0.9942 1.5193 1.5328 1.7529 1.7768 3.3844 3.3875 3.4891 3.4899 5.4607 5.4636 5.7081 5.7085 7.1296 7.1378 7.2306 7.2309 9.1512 9.1541 9.9886 9.9893 10.8294 10.8331 k = 0.2688 0.5000 0.2910 ( 6860 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1915 -38.1915 -38.1914 -37.9178 -37.9178 -37.9178 -37.9177 -37.8828 -37.8828 -37.8827 -37.8827 -11.9505 -11.9503 -11.8796 -11.8795 -9.3718 -9.3718 -9.2171 -9.2170 -1.9324 -1.9308 -1.8016 -1.8001 -0.8083 -0.8007 -0.3345 -0.3296 0.7385 0.7651 0.9663 0.9710 1.5223 1.5350 1.7441 1.7676 3.3884 3.3912 3.4806 3.4811 5.4640 5.4669 5.7027 5.7030 7.1187 7.1268 7.2162 7.2166 9.2039 9.2067 9.9622 9.9627 10.8933 10.8975 k = 0.2823 0.5000 0.2910 ( 6870 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1915 -38.1915 -38.1915 -37.9178 -37.9178 -37.9178 -37.9177 -37.8828 -37.8828 -37.8827 -37.8827 -11.9419 -11.9417 -11.8773 -11.8773 -9.3684 -9.3684 -9.2279 -9.2277 -1.9322 -1.9306 -1.8155 -1.8142 -0.7931 -0.7857 -0.3640 -0.3593 0.7371 0.7633 0.9437 0.9481 1.5259 1.5378 1.7340 1.7569 3.3917 3.3942 3.4723 3.4725 5.4681 5.4711 5.6953 5.6957 7.1096 7.1177 7.2023 7.2028 9.2546 9.2573 9.9360 9.9364 10.9635 10.9682 k = 0.2957 0.5000 0.2910 ( 6866 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1915 -38.1915 -38.1915 -37.9178 -37.9178 -37.9178 -37.9177 -37.8828 -37.8828 -37.8827 -37.8827 -11.9333 -11.9331 -11.8750 -11.8750 -9.3651 -9.3650 -9.2385 -9.2384 -1.9322 -1.9306 -1.8291 -1.8279 -0.7775 -0.7704 -0.3922 -0.3877 0.7357 0.7614 0.9215 0.9257 1.5300 1.5410 1.7228 1.7449 3.3943 3.3964 3.4641 3.4642 5.4731 5.4761 5.6864 5.6868 7.1024 7.1104 7.1891 7.1895 9.3031 9.3057 9.9103 9.9105 11.0396 11.0447 k = 0.3092 0.5000 0.2910 ( 6866 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1915 -38.1915 -37.9178 -37.9178 -37.9178 -37.9177 -37.8829 -37.8828 -37.8827 -37.8827 -11.9249 -11.9247 -11.8728 -11.8728 -9.3618 -9.3618 -9.2490 -9.2488 -1.9324 -1.9309 -1.8422 -1.8411 -0.7617 -0.7549 -0.4191 -0.4149 0.7343 0.7593 0.9000 0.9039 1.5344 1.5446 1.7106 1.7319 3.3961 3.3979 3.4560 3.4563 5.4788 5.4818 5.6761 5.6765 7.0969 7.1046 7.1765 7.1770 9.3490 9.3515 9.8852 9.8854 11.1208 11.1263 k = 0.3226 0.5000 0.2910 ( 6872 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1915 -37.9179 -37.9178 -37.9178 -37.9177 -37.8829 -37.8829 -37.8827 -37.8827 -11.9168 -11.9165 -11.8707 -11.8707 -9.3587 -9.3586 -9.2592 -9.2590 -1.9328 -1.9313 -1.8547 -1.8538 -0.7459 -0.7393 -0.4445 -0.4405 0.7328 0.7570 0.8794 0.8830 1.5390 1.5484 1.6978 1.7182 3.3972 3.3988 3.4482 3.4487 5.4851 5.4881 5.6649 5.6653 7.0926 7.1001 7.1645 7.1650 9.3922 9.3947 9.8610 9.8611 11.2060 11.2119 k = 0.3361 0.5000 0.2910 ( 6872 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1915 -37.9179 -37.9178 -37.9178 -37.9177 -37.8829 -37.8829 -37.8827 -37.8827 -11.9088 -11.9086 -11.8687 -11.8687 -9.3556 -9.3556 -9.2691 -9.2689 -1.9334 -1.9319 -1.8666 -1.8659 -0.7302 -0.7239 -0.4684 -0.4646 0.7312 0.7545 0.8598 0.8632 1.5437 1.5524 1.6846 1.7039 3.3977 3.3991 3.4407 3.4413 5.4920 5.4949 5.6530 5.6535 7.0895 7.0967 7.1533 7.1538 9.4329 9.4352 9.8378 9.8379 11.2941 11.3002 k = 0.3495 0.5000 0.2910 ( 6874 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1915 -37.9179 -37.9178 -37.9178 -37.9178 -37.8829 -37.8829 -37.8827 -37.8827 -11.9012 -11.9010 -11.8667 -11.8667 -9.3527 -9.3527 -9.2785 -9.2784 -1.9341 -1.9326 -1.8778 -1.8772 -0.7148 -0.7089 -0.4905 -0.4870 0.7296 0.7518 0.8415 0.8446 1.5485 1.5564 1.6713 1.6895 3.3977 3.3989 3.4335 3.4342 5.4991 5.5020 5.6409 5.6414 7.0874 7.0941 7.1429 7.1434 9.4708 9.4730 9.8159 9.8160 11.3833 11.3896 k = 0.3629 0.5000 0.2910 ( 6868 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1915 -37.9179 -37.9178 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8827 -11.8940 -11.8939 -11.8649 -11.8649 -9.3500 -9.3499 -9.2875 -9.2873 -1.9350 -1.9335 -1.8881 -1.8877 -0.6998 -0.6943 -0.5109 -0.5077 0.7280 0.7488 0.8246 0.8274 1.5532 1.5604 1.6581 1.6750 3.3973 3.3983 3.4266 3.4274 5.5065 5.5092 5.6288 5.6294 7.0859 7.0922 7.1333 7.1337 9.5060 9.5080 9.7954 9.7955 11.4718 11.4783 k = 0.3764 0.5000 0.2910 ( 6862 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1915 -37.9179 -37.9178 -37.9178 -37.9178 -37.8829 -37.8829 -37.8827 -37.8827 -11.8873 -11.8871 -11.8632 -11.8632 -9.3474 -9.3474 -9.2959 -9.2957 -1.9360 -1.9345 -1.8977 -1.8974 -0.6855 -0.6805 -0.5294 -0.5265 0.7262 0.7455 0.8092 0.8117 1.5578 1.5642 1.6452 1.6608 3.3964 3.3973 3.4201 3.4209 5.5139 5.5165 5.6171 5.6177 7.0849 7.0907 7.1245 7.1249 9.5384 9.5403 9.7765 9.7765 11.5574 11.5639 k = 0.3898 0.5000 0.2910 ( 6860 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1915 -37.9179 -37.9178 -37.9178 -37.9178 -37.8829 -37.8829 -37.8827 -37.8827 -11.8811 -11.8809 -11.8616 -11.8616 -9.3451 -9.3451 -9.3036 -9.3035 -1.9370 -1.9356 -1.9063 -1.9062 -0.6721 -0.6675 -0.5460 -0.5434 0.7244 0.7419 0.7956 0.7977 1.5621 1.5678 1.6330 1.6472 3.3953 3.3961 3.4141 3.4149 5.5210 5.5235 5.6059 5.6066 7.0843 7.0896 7.1165 7.1168 9.5680 9.5698 9.7592 9.7593 11.6375 11.6438 k = 0.4033 0.5000 0.2910 ( 6876 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1915 -37.9179 -37.9178 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8754 -11.8753 -11.8602 -11.8602 -9.3430 -9.3429 -9.3106 -9.3105 -1.9381 -1.9367 -1.9141 -1.9141 -0.6597 -0.6556 -0.5607 -0.5584 0.7226 0.7379 0.7839 0.7854 1.5662 1.5711 1.6217 1.6344 3.3941 3.3948 3.4086 3.4093 5.5278 5.5301 5.5957 5.5964 7.0840 7.0887 7.1093 7.1097 9.5947 9.5964 9.7437 9.7438 11.7094 11.7153 k = 0.4167 0.5000 0.2910 ( 6874 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1915 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8704 -11.8702 -11.8590 -11.8590 -9.3411 -9.3411 -9.3169 -9.3168 -1.9391 -1.9377 -1.9210 -1.9208 -0.6486 -0.6451 -0.5734 -0.5713 0.7206 0.7336 0.7742 0.7750 1.5698 1.5741 1.6115 1.6226 3.3927 3.3934 3.4037 3.4042 5.5340 5.5361 5.5866 5.5873 7.0838 7.0879 7.1031 7.1033 9.6185 9.6199 9.7301 9.7302 11.7707 11.7757 k = 0.4301 0.5000 0.2910 ( 6874 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1915 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8660 -11.8659 -11.8579 -11.8579 -9.3395 -9.3395 -9.3223 -9.3222 -1.9401 -1.9388 -1.9269 -1.9265 -0.6390 -0.6360 -0.5839 -0.5821 0.7186 0.7291 0.7664 0.7665 1.5731 1.5767 1.6026 1.6120 3.3914 3.3920 3.3995 3.3998 5.5394 5.5412 5.5788 5.5796 7.0837 7.0872 7.0977 7.0979 9.6391 9.6403 9.7184 9.7186 11.8192 11.8223 k = 0.4436 0.5000 0.2910 ( 6870 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1915 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8623 -11.8622 -11.8570 -11.8570 -9.3381 -9.3381 -9.3269 -9.3268 -1.9411 -1.9398 -1.9318 -1.9312 -0.6312 -0.6288 -0.5921 -0.5907 0.7166 0.7246 0.7599 0.7604 1.5759 1.5788 1.5952 1.6028 3.3902 3.3908 3.3959 3.3960 5.5437 5.5453 5.5726 5.5734 7.0837 7.0865 7.0933 7.0934 9.6564 9.6574 9.7089 9.7090 11.8543 11.8558 k = 0.4570 0.5000 0.2910 ( 6874 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1916 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8594 -11.8593 -11.8563 -11.8563 -9.3370 -9.3370 -9.3305 -9.3304 -1.9421 -1.9408 -1.9355 -1.9347 -0.6255 -0.6238 -0.5978 -0.5966 0.7148 0.7205 0.7551 0.7559 1.5782 1.5804 1.5894 1.5952 3.3891 3.3898 3.3929 3.3931 5.5467 5.5480 5.5683 5.5690 7.0837 7.0858 7.0898 7.0899 9.6703 9.6709 9.7015 9.7017 11.8799 11.8809 k = 0.4705 0.5000 0.2910 ( 6868 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1916 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8572 -11.8572 -11.8557 -11.8557 -9.3363 -9.3362 -9.3331 -9.3331 -1.9429 -1.9419 -1.9379 -1.9372 -0.6223 -0.6213 -0.6008 -0.5999 0.7135 0.7170 0.7520 0.7527 1.5800 1.5815 1.5853 1.5892 3.3883 3.3891 3.3906 3.3910 5.5483 5.5492 5.5661 5.5666 7.0837 7.0850 7.0872 7.0874 9.6803 9.6806 9.6965 9.6968 11.8977 11.8985 k = 0.4839 0.5000 0.2910 ( 6866 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1916 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8559 -11.8558 -11.8554 -11.8554 -9.3358 -9.3358 -9.3348 -9.3348 -1.9436 -1.9430 -1.9390 -1.9387 -0.6211 -0.6206 -0.6016 -0.6010 0.7128 0.7145 0.7502 0.7507 1.5813 1.5818 1.5832 1.5850 3.3878 3.3885 3.3891 3.3896 5.5488 5.5492 5.5654 5.5656 7.0836 7.0841 7.0858 7.0860 9.6859 9.6859 9.6946 9.6948 11.9084 11.9088 k = 0.4974 0.5000 0.2910 ( 6860 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1916 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8554 -11.8554 -11.8552 -11.8552 -9.3357 -9.3357 -9.3353 -9.3353 -1.9437 -1.9437 -1.9394 -1.9394 -0.6207 -0.6207 -0.6013 -0.6013 0.7129 0.7129 0.7497 0.7497 1.5820 1.5820 1.5826 1.5826 3.3878 3.3878 3.3889 3.3889 5.5491 5.5491 5.5655 5.5655 7.0834 7.0834 7.0853 7.0853 9.6874 9.6874 9.6951 9.6951 11.9123 11.9123 k = 0.4974 0.5000 0.2910 ( 6860 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1916 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8554 -11.8554 -11.8552 -11.8552 -9.3357 -9.3357 -9.3353 -9.3353 -1.9437 -1.9437 -1.9394 -1.9394 -0.6207 -0.6207 -0.6013 -0.6013 0.7129 0.7129 0.7497 0.7497 1.5820 1.5820 1.5826 1.5826 3.3878 3.3878 3.3889 3.3889 5.5491 5.5491 5.5655 5.5655 7.0834 7.0834 7.0853 7.0853 9.6874 9.6874 9.6951 9.6951 11.9123 11.9123 k = 0.4880 0.4906 0.2910 ( 6870 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1916 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8557 -11.8557 -11.8556 -11.8556 -9.3354 -9.3354 -9.3351 -9.3351 -1.9431 -1.9431 -1.9387 -1.9387 -0.6210 -0.6210 -0.6017 -0.6017 0.7137 0.7137 0.7505 0.7505 1.5818 1.5818 1.5845 1.5845 3.3882 3.3882 3.3894 3.3894 5.5487 5.5487 5.5651 5.5651 7.0844 7.0844 7.0864 7.0864 9.6851 9.6851 9.6929 9.6929 11.9102 11.9102 k = 0.4786 0.4811 0.2910 ( 6878 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1916 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8566 -11.8566 -11.8564 -11.8564 -9.3348 -9.3348 -9.3345 -9.3345 -1.9417 -1.9417 -1.9372 -1.9372 -0.6217 -0.6217 -0.6024 -0.6024 0.7155 0.7155 0.7525 0.7525 1.5824 1.5824 1.5872 1.5872 3.3891 3.3891 3.3905 3.3905 5.5479 5.5479 5.5643 5.5643 7.0869 7.0869 7.0890 7.0890 9.6800 9.6800 9.6878 9.6878 11.9052 11.9052 k = 0.4692 0.4717 0.2910 ( 6886 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1916 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8579 -11.8579 -11.8578 -11.8578 -9.3339 -9.3339 -9.3336 -9.3336 -1.9394 -1.9394 -1.9348 -1.9348 -0.6228 -0.6228 -0.6036 -0.6036 0.7182 0.7182 0.7555 0.7555 1.5841 1.5841 1.5910 1.5910 3.3904 3.3904 3.3921 3.3921 5.5466 5.5466 5.5631 5.5631 7.0906 7.0906 7.0929 7.0929 9.6721 9.6721 9.6798 9.6798 11.8973 11.8973 k = 0.4598 0.4623 0.2910 ( 6886 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1916 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8597 -11.8597 -11.8596 -11.8596 -9.3327 -9.3327 -9.3323 -9.3323 -1.9363 -1.9363 -1.9316 -1.9316 -0.6242 -0.6242 -0.6050 -0.6050 0.7219 0.7219 0.7595 0.7595 1.5867 1.5867 1.5956 1.5956 3.3922 3.3922 3.3943 3.3943 5.5448 5.5448 5.5615 5.5615 7.0956 7.0956 7.0982 7.0982 9.6613 9.6613 9.6691 9.6691 11.8862 11.8862 k = 0.4504 0.4528 0.2910 ( 6894 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1916 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8620 -11.8620 -11.8618 -11.8618 -9.3311 -9.3311 -9.3308 -9.3308 -1.9325 -1.9325 -1.9276 -1.9276 -0.6259 -0.6259 -0.6068 -0.6068 0.7266 0.7266 0.7645 0.7645 1.5903 1.5903 1.6011 1.6011 3.3944 3.3944 3.3969 3.3969 5.5426 5.5426 5.5595 5.5595 7.1019 7.1019 7.1047 7.1047 9.6477 9.6477 9.6555 9.6555 11.8718 11.8718 k = 0.4411 0.4434 0.2910 ( 6898 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1917 -38.1917 -38.1916 -38.1916 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8648 -11.8648 -11.8646 -11.8646 -9.3293 -9.3293 -9.3289 -9.3289 -1.9278 -1.9278 -1.9228 -1.9228 -0.6278 -0.6278 -0.6089 -0.6089 0.7322 0.7322 0.7705 0.7705 1.5947 1.5947 1.6075 1.6075 3.3969 3.3969 3.4000 3.4000 5.5400 5.5400 5.5570 5.5570 7.1092 7.1092 7.1124 7.1124 9.6314 9.6314 9.6391 9.6391 11.8537 11.8537 k = 0.4317 0.4340 0.2910 ( 6880 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1916 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8679 -11.8679 -11.8678 -11.8678 -9.3271 -9.3271 -9.3267 -9.3267 -1.9224 -1.9224 -1.9171 -1.9171 -0.6299 -0.6299 -0.6111 -0.6111 0.7387 0.7387 0.7775 0.7775 1.6000 1.6000 1.6146 1.6146 3.3997 3.3997 3.4034 3.4034 5.5369 5.5369 5.5541 5.5541 7.1176 7.1176 7.1211 7.1211 9.6124 9.6124 9.6201 9.6201 11.8315 11.8315 k = 0.4223 0.4245 0.2910 ( 6880 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1916 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8716 -11.8716 -11.8714 -11.8714 -9.3246 -9.3246 -9.3242 -9.3242 -1.9161 -1.9161 -1.9107 -1.9107 -0.6320 -0.6320 -0.6134 -0.6134 0.7461 0.7461 0.7853 0.7853 1.6061 1.6061 1.6225 1.6225 3.4026 3.4026 3.4070 3.4070 5.5333 5.5333 5.5507 5.5507 7.1269 7.1269 7.1306 7.1306 9.5909 9.5909 9.5986 9.5986 11.8049 11.8049 k = 0.4129 0.4151 0.2910 ( 6872 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1915 -38.1915 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8827 -37.8827 -11.8756 -11.8756 -11.8754 -11.8754 -9.3218 -9.3218 -9.3214 -9.3214 -1.9092 -1.9092 -1.9034 -1.9034 -0.6342 -0.6342 -0.6157 -0.6157 0.7543 0.7543 0.7940 0.7940 1.6129 1.6129 1.6310 1.6310 3.4057 3.4057 3.4108 3.4108 5.5293 5.5293 5.5469 5.5469 7.1368 7.1368 7.1409 7.1409 9.5672 9.5672 9.5748 9.5748 11.7737 11.7737 k = 0.4035 0.4057 0.2910 ( 6870 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1915 -38.1915 -37.9178 -37.9178 -37.9178 -37.9178 -37.8829 -37.8829 -37.8827 -37.8827 -11.8801 -11.8801 -11.8799 -11.8799 -9.3187 -9.3187 -9.3183 -9.3183 -1.9014 -1.9014 -1.8954 -1.8954 -0.6362 -0.6362 -0.6179 -0.6179 0.7633 0.7633 0.8034 0.8034 1.6204 1.6204 1.6401 1.6401 3.4087 3.4087 3.4147 3.4147 5.5247 5.5247 5.5426 5.5426 7.1472 7.1472 7.1516 7.1516 9.5414 9.5414 9.5490 9.5490 11.7380 11.7380 k = 0.3941 0.3962 0.2910 ( 6874 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1915 -38.1915 -37.9178 -37.9178 -37.9178 -37.9178 -37.8829 -37.8829 -37.8827 -37.8827 -11.8849 -11.8849 -11.8847 -11.8847 -9.3154 -9.3154 -9.3150 -9.3150 -1.8930 -1.8930 -1.8866 -1.8866 -0.6381 -0.6381 -0.6200 -0.6200 0.7730 0.7731 0.8136 0.8136 1.6285 1.6285 1.6498 1.6498 3.4116 3.4116 3.4186 3.4186 5.5197 5.5197 5.5378 5.5378 7.1579 7.1579 7.1626 7.1626 9.5139 9.5139 9.5215 9.5215 11.6979 11.6979 k = 0.3847 0.3868 0.2910 ( 6866 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1915 -38.1915 -37.9178 -37.9178 -37.9178 -37.9178 -37.8828 -37.8828 -37.8827 -37.8827 -11.8902 -11.8902 -11.8899 -11.8899 -9.3118 -9.3118 -9.3114 -9.3114 -1.8838 -1.8838 -1.8771 -1.8771 -0.6396 -0.6396 -0.6217 -0.6217 0.7835 0.7835 0.8244 0.8244 1.6372 1.6372 1.6599 1.6599 3.4144 3.4144 3.4223 3.4223 5.5140 5.5140 5.5324 5.5324 7.1685 7.1685 7.1735 7.1735 9.4851 9.4851 9.4927 9.4927 11.6540 11.6540 k = 0.3754 0.3774 0.2910 ( 6874 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1915 -38.1915 -37.9178 -37.9178 -37.9178 -37.9178 -37.8828 -37.8828 -37.8827 -37.8827 -11.8957 -11.8957 -11.8955 -11.8955 -9.3080 -9.3080 -9.3075 -9.3075 -1.8739 -1.8739 -1.8669 -1.8669 -0.6408 -0.6408 -0.6232 -0.6232 0.7946 0.7946 0.8359 0.8359 1.6463 1.6463 1.6703 1.6703 3.4169 3.4169 3.4259 3.4259 5.5077 5.5077 5.5264 5.5264 7.1789 7.1789 7.1842 7.1842 9.4556 9.4556 9.4631 9.4631 11.6068 11.6068 k = 0.3660 0.3679 0.2910 ( 6878 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1915 -38.1915 -37.9178 -37.9178 -37.9178 -37.9178 -37.8828 -37.8828 -37.8827 -37.8827 -11.9017 -11.9017 -11.9015 -11.9014 -9.3039 -9.3039 -9.3034 -9.3034 -1.8634 -1.8634 -1.8561 -1.8561 -0.6416 -0.6416 -0.6241 -0.6241 0.8063 0.8063 0.8479 0.8479 1.6557 1.6557 1.6811 1.6811 3.4190 3.4190 3.4291 3.4291 5.5007 5.5007 5.5197 5.5197 7.1886 7.1886 7.1941 7.1941 9.4259 9.4259 9.4334 9.4334 11.5570 11.5570 k = 0.3566 0.3585 0.2910 ( 6874 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1915 -38.1915 -37.9178 -37.9178 -37.9178 -37.9178 -37.8828 -37.8828 -37.8827 -37.8827 -11.9079 -11.9079 -11.9077 -11.9077 -9.2996 -9.2996 -9.2991 -9.2991 -1.8522 -1.8522 -1.8445 -1.8445 -0.6418 -0.6418 -0.6245 -0.6245 0.8185 0.8185 0.8604 0.8604 1.6655 1.6655 1.6920 1.6920 3.4208 3.4208 3.4320 3.4320 5.4929 5.4929 5.5122 5.5122 7.1973 7.1973 7.2031 7.2031 9.3966 9.3966 9.4041 9.4041 11.5055 11.5055 k = 0.3472 0.3491 0.2910 ( 6862 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1915 -38.1915 -37.9178 -37.9178 -37.9177 -37.9177 -37.8828 -37.8828 -37.8827 -37.8827 -11.9145 -11.9145 -11.9142 -11.9142 -9.2951 -9.2951 -9.2946 -9.2946 -1.8404 -1.8404 -1.8323 -1.8323 -0.6413 -0.6413 -0.6243 -0.6243 0.8313 0.8313 0.8733 0.8733 1.6755 1.6755 1.7031 1.7031 3.4221 3.4221 3.4345 3.4345 5.4842 5.4842 5.5039 5.5039 7.2046 7.2046 7.2107 7.2107 9.3685 9.3685 9.3760 9.3760 11.4527 11.4527 k = 0.3378 0.3396 0.2910 ( 6870 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1915 -38.1915 -37.9178 -37.9178 -37.9177 -37.9177 -37.8828 -37.8828 -37.8827 -37.8827 -11.9213 -11.9213 -11.9210 -11.9210 -9.2904 -9.2904 -9.2899 -9.2899 -1.8280 -1.8280 -1.8195 -1.8195 -0.6402 -0.6402 -0.6234 -0.6234 0.8444 0.8444 0.8866 0.8866 1.6857 1.6857 1.7143 1.7143 3.4229 3.4229 3.4365 3.4365 5.4746 5.4746 5.4945 5.4945 7.2102 7.2102 7.2166 7.2166 9.3421 9.3421 9.3497 9.3497 11.3994 11.3994 k = 0.3284 0.3302 0.2910 ( 6860 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1915 -38.1915 -37.9178 -37.9178 -37.9177 -37.9177 -37.8828 -37.8828 -37.8827 -37.8827 -11.9283 -11.9283 -11.9281 -11.9281 -9.2855 -9.2855 -9.2850 -9.2850 -1.8151 -1.8151 -1.8062 -1.8062 -0.6382 -0.6382 -0.6216 -0.6216 0.8578 0.8578 0.9003 0.9003 1.6960 1.6960 1.7255 1.7255 3.4231 3.4231 3.4380 3.4380 5.4637 5.4637 5.4841 5.4841 7.2137 7.2137 7.2203 7.2203 9.3183 9.3183 9.3259 9.3259 11.3462 11.3462 k = 0.3191 0.3208 0.2910 ( 6860 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1915 -38.1915 -37.9178 -37.9178 -37.9177 -37.9177 -37.8828 -37.8828 -37.8827 -37.8827 -11.9356 -11.9356 -11.9354 -11.9354 -9.2805 -9.2805 -9.2800 -9.2800 -1.8016 -1.8016 -1.7923 -1.7923 -0.6355 -0.6355 -0.6190 -0.6190 0.8716 0.8716 0.9141 0.9141 1.7063 1.7063 1.7366 1.7366 3.4228 3.4228 3.4390 3.4390 5.4517 5.4517 5.4723 5.4723 7.2147 7.2147 7.2215 7.2215 9.2976 9.2976 9.3053 9.3053 11.2935 11.2935 k = 0.3097 0.3113 0.2910 ( 6858 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1914 -37.9178 -37.9178 -37.9177 -37.9177 -37.8828 -37.8828 -37.8827 -37.8827 -11.9431 -11.9431 -11.9429 -11.9429 -9.2753 -9.2753 -9.2748 -9.2748 -1.7876 -1.7876 -1.7779 -1.7779 -0.6318 -0.6318 -0.6155 -0.6155 0.8855 0.8855 0.9281 0.9281 1.7165 1.7165 1.7476 1.7476 3.4219 3.4219 3.4393 3.4393 5.4382 5.4382 5.4592 5.4592 7.2130 7.2130 7.2199 7.2199 9.2806 9.2806 9.2883 9.2883 11.2419 11.2419 k = 0.3003 0.3019 0.2910 ( 6858 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1914 -37.9177 -37.9177 -37.9177 -37.9177 -37.8828 -37.8828 -37.8827 -37.8827 -11.9508 -11.9508 -11.9505 -11.9505 -9.2700 -9.2700 -9.2695 -9.2695 -1.7731 -1.7731 -1.7630 -1.7630 -0.6271 -0.6271 -0.6111 -0.6111 0.8995 0.8995 0.9421 0.9421 1.7266 1.7266 1.7585 1.7585 3.4204 3.4204 3.4392 3.4392 5.4231 5.4231 5.4446 5.4446 7.2083 7.2083 7.2154 7.2154 9.2677 9.2677 9.2754 9.2754 11.1918 11.1918 k = 0.2909 0.2925 0.2910 ( 6850 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1914 -37.9177 -37.9177 -37.9176 -37.9176 -37.8828 -37.8828 -37.8827 -37.8827 -11.9586 -11.9586 -11.9583 -11.9583 -9.2646 -9.2646 -9.2641 -9.2641 -1.7582 -1.7582 -1.7477 -1.7477 -0.6215 -0.6215 -0.6056 -0.6056 0.9136 0.9136 0.9562 0.9562 1.7366 1.7366 1.7691 1.7691 3.4185 3.4185 3.4384 3.4384 5.4064 5.4064 5.4282 5.4282 7.2006 7.2006 7.2079 7.2079 9.2592 9.2592 9.2669 9.2669 11.1437 11.1437 k = 0.2815 0.2830 0.2910 ( 6838 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1914 -37.9177 -37.9177 -37.9176 -37.9176 -37.8828 -37.8828 -37.8826 -37.8826 -11.9665 -11.9665 -11.9662 -11.9662 -9.2592 -9.2592 -9.2587 -9.2587 -1.7429 -1.7429 -1.7319 -1.7319 -0.6148 -0.6148 -0.5991 -0.5991 0.9276 0.9276 0.9701 0.9701 1.7465 1.7465 1.7795 1.7795 3.4160 3.4160 3.4372 3.4372 5.3879 5.3879 5.4100 5.4100 7.1898 7.1898 7.1972 7.1972 9.2551 9.2551 9.2627 9.2627 11.0982 11.0982 k = 0.2721 0.2736 0.2910 ( 6826 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1914 -37.9177 -37.9177 -37.9176 -37.9176 -37.8828 -37.8828 -37.8826 -37.8826 -11.9745 -11.9745 -11.9742 -11.9742 -9.2536 -9.2536 -9.2531 -9.2531 -1.7272 -1.7272 -1.7159 -1.7159 -0.6070 -0.6070 -0.5915 -0.5915 0.9414 0.9414 0.9839 0.9839 1.7561 1.7561 1.7896 1.7896 3.4131 3.4131 3.4354 3.4354 5.3674 5.3674 5.3899 5.3899 7.1761 7.1761 7.1836 7.1836 9.2553 9.2553 9.2629 9.2629 11.0556 11.0556 k = 0.2628 0.2642 0.2910 ( 6834 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1914 -37.9177 -37.9177 -37.9176 -37.9176 -37.8828 -37.8828 -37.8826 -37.8826 -11.9826 -11.9826 -11.9823 -11.9823 -9.2481 -9.2481 -9.2476 -9.2476 -1.7112 -1.7112 -1.6995 -1.6995 -0.5983 -0.5983 -0.5829 -0.5829 0.9549 0.9549 0.9973 0.9973 1.7655 1.7655 1.7995 1.7995 3.4098 3.4098 3.4333 3.4333 5.3449 5.3449 5.3678 5.3678 7.1595 7.1595 7.1672 7.1672 9.2594 9.2594 9.2669 9.2669 11.0166 11.0166 k = 0.2534 0.2547 0.2910 ( 6828 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1914 -38.1914 -38.1914 -38.1914 -37.9177 -37.9177 -37.9176 -37.9176 -37.8827 -37.8827 -37.8826 -37.8826 -11.9907 -11.9907 -11.9904 -11.9904 -9.2425 -9.2425 -9.2420 -9.2420 -1.6950 -1.6950 -1.6828 -1.6828 -0.5885 -0.5885 -0.5733 -0.5733 0.9680 0.9680 1.0104 1.0104 1.7746 1.7746 1.8091 1.8091 3.4061 3.4061 3.4307 3.4307 5.3203 5.3203 5.3436 5.3436 7.1405 7.1405 7.1483 7.1483 9.2669 9.2669 9.2743 9.2743 10.9817 10.9817 k = 0.2440 0.2453 0.2910 ( 6836 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1914 -38.1914 -38.1914 -38.1914 -37.9177 -37.9177 -37.9176 -37.9176 -37.8827 -37.8827 -37.8826 -37.8826 -11.9988 -11.9988 -11.9985 -11.9985 -9.2369 -9.2369 -9.2364 -9.2364 -1.6785 -1.6785 -1.6659 -1.6659 -0.5776 -0.5776 -0.5626 -0.5626 0.9807 0.9807 1.0230 1.0230 1.7835 1.7835 1.8184 1.8184 3.4022 3.4022 3.4278 3.4278 5.2937 5.2937 5.3173 5.3173 7.1194 7.1194 7.1273 7.1273 9.2770 9.2770 9.2842 9.2842 10.9515 10.9515 k = 0.2346 0.2359 0.2910 ( 6828 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1914 -38.1914 -38.1913 -38.1913 -37.9176 -37.9176 -37.9176 -37.9176 -37.8827 -37.8827 -37.8826 -37.8826 -12.0068 -12.0068 -12.0066 -12.0066 -9.2313 -9.2313 -9.2308 -9.2308 -1.6618 -1.6618 -1.6488 -1.6488 -0.5658 -0.5658 -0.5509 -0.5509 0.9928 0.9928 1.0350 1.0350 1.7922 1.7922 1.8274 1.8274 3.3980 3.3980 3.4246 3.4246 5.2649 5.2649 5.2888 5.2888 7.0966 7.0966 7.1047 7.1047 9.2887 9.2887 9.2958 9.2958 10.9266 10.9266 k = 0.2252 0.2264 0.2910 ( 6838 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1914 -38.1914 -38.1913 -38.1913 -37.9176 -37.9176 -37.9176 -37.9176 -37.8827 -37.8827 -37.8826 -37.8826 -12.0149 -12.0149 -12.0146 -12.0146 -9.2258 -9.2258 -9.2253 -9.2253 -1.6449 -1.6449 -1.6316 -1.6316 -0.5530 -0.5530 -0.5383 -0.5383 1.0042 1.0042 1.0463 1.0463 1.8007 1.8007 1.8362 1.8362 3.3937 3.3937 3.4212 3.4212 5.2340 5.2340 5.2583 5.2583 7.0726 7.0726 7.0808 7.0808 9.3012 9.3012 9.3080 9.3080 10.9074 10.9074 k = 0.2158 0.2170 0.2910 ( 6848 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1914 -38.1914 -38.1913 -38.1913 -37.9176 -37.9176 -37.9176 -37.9176 -37.8827 -37.8827 -37.8826 -37.8826 -12.0228 -12.0228 -12.0226 -12.0226 -9.2203 -9.2203 -9.2198 -9.2198 -1.6279 -1.6279 -1.6142 -1.6142 -0.5393 -0.5393 -0.5248 -0.5248 1.0148 1.0148 1.0568 1.0568 1.8090 1.8090 1.8448 1.8448 3.3893 3.3893 3.4176 3.4176 5.2013 5.2013 5.2258 5.2258 7.0477 7.0477 7.0560 7.0560 9.3134 9.3134 9.3200 9.3200 10.8943 10.8943 k = 0.2065 0.2076 0.2910 ( 6854 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1914 -38.1914 -38.1913 -38.1913 -37.9176 -37.9176 -37.9176 -37.9176 -37.8827 -37.8827 -37.8826 -37.8826 -12.0307 -12.0306 -12.0304 -12.0304 -9.2148 -9.2148 -9.2144 -9.2144 -1.6109 -1.6109 -1.5969 -1.5969 -0.5248 -0.5248 -0.5104 -0.5104 1.0246 1.0246 1.0665 1.0665 1.8171 1.8171 1.8532 1.8532 3.3849 3.3849 3.4139 3.4139 5.1667 5.1667 5.1915 5.1915 7.0224 7.0224 7.0309 7.0309 9.3243 9.3243 9.3307 9.3307 10.8876 10.8876 k = 0.1971 0.1981 0.2910 ( 6854 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1914 -38.1914 -38.1913 -38.1913 -37.9176 -37.9176 -37.9175 -37.9175 -37.8827 -37.8827 -37.8826 -37.8826 -12.0384 -12.0384 -12.0381 -12.0381 -9.2095 -9.2095 -9.2091 -9.2091 -1.5939 -1.5939 -1.5795 -1.5795 -0.5096 -0.5096 -0.4954 -0.4954 1.0334 1.0334 1.0753 1.0753 1.8250 1.8250 1.8614 1.8614 3.3805 3.3805 3.4101 3.4101 5.1305 5.1305 5.1555 5.1555 6.9970 6.9970 7.0056 7.0056 9.3332 9.3332 9.3392 9.3392 10.8873 10.8873 k = 0.1877 0.1887 0.2910 ( 6858 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1914 -38.1914 -38.1913 -38.1913 -37.9176 -37.9176 -37.9175 -37.9175 -37.8827 -37.8827 -37.8826 -37.8826 -12.0459 -12.0459 -12.0457 -12.0457 -9.2043 -9.2043 -9.2039 -9.2039 -1.5769 -1.5769 -1.5622 -1.5622 -0.4936 -0.4936 -0.4797 -0.4797 1.0413 1.0413 1.0830 1.0830 1.8329 1.8329 1.8696 1.8696 3.3762 3.3762 3.4063 3.4063 5.0930 5.0930 5.1182 5.1182 6.9719 6.9719 6.9806 6.9806 9.3393 9.3393 9.3450 9.3450 10.8929 10.8929 k = 0.1783 0.1792 0.2910 ( 6850 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1914 -38.1914 -38.1913 -38.1913 -37.9176 -37.9176 -37.9175 -37.9175 -37.8827 -37.8827 -37.8826 -37.8826 -12.0533 -12.0533 -12.0531 -12.0530 -9.1992 -9.1992 -9.1988 -9.1988 -1.5600 -1.5600 -1.5450 -1.5450 -0.4772 -0.4772 -0.4634 -0.4634 1.0482 1.0482 1.0898 1.0898 1.8406 1.8406 1.8776 1.8776 3.3719 3.3719 3.4025 3.4025 5.0544 5.0544 5.0797 5.0797 6.9472 6.9472 6.9560 6.9560 9.3423 9.3423 9.3477 9.3477 10.9038 10.9038 k = 0.1689 0.1698 0.2910 ( 6852 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1914 -38.1914 -38.1913 -38.1913 -37.9176 -37.9176 -37.9175 -37.9175 -37.8827 -37.8827 -37.8826 -37.8826 -12.0604 -12.0604 -12.0602 -12.0602 -9.1943 -9.1943 -9.1939 -9.1939 -1.5433 -1.5433 -1.5280 -1.5280 -0.4603 -0.4603 -0.4468 -0.4468 1.0540 1.0540 1.0954 1.0954 1.8483 1.8483 1.8855 1.8855 3.3679 3.3679 3.3989 3.3989 5.0150 5.0150 5.0404 5.0404 6.9233 6.9233 6.9321 6.9321 9.3420 9.3420 9.3470 9.3470 10.9191 10.9191 k = 0.1595 0.1604 0.2910 ( 6844 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1914 -38.1914 -38.1913 -38.1913 -37.9176 -37.9176 -37.9175 -37.9175 -37.8827 -37.8827 -37.8826 -37.8826 -12.0673 -12.0673 -12.0671 -12.0671 -9.1895 -9.1895 -9.1891 -9.1891 -1.5268 -1.5268 -1.5113 -1.5113 -0.4431 -0.4431 -0.4298 -0.4298 1.0588 1.0588 1.1001 1.1001 1.8559 1.8559 1.8933 1.8933 3.3639 3.3639 3.3952 3.3952 4.9751 4.9751 5.0006 5.0006 6.9003 6.9003 6.9091 6.9091 9.3384 9.3384 9.3430 9.3430 10.9373 10.9373 k = 0.1501 0.1509 0.2910 ( 6840 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1913 -38.1913 -37.9175 -37.9175 -37.9175 -37.9175 -37.8827 -37.8827 -37.8826 -37.8826 -12.0740 -12.0740 -12.0738 -12.0738 -9.1850 -9.1850 -9.1846 -9.1846 -1.5106 -1.5106 -1.4948 -1.4948 -0.4258 -0.4258 -0.4128 -0.4128 1.0626 1.0626 1.1036 1.1036 1.8633 1.8633 1.9010 1.9010 3.3602 3.3602 3.3918 3.3918 4.9351 4.9351 4.9606 4.9606 6.8784 6.8784 6.8871 6.8871 9.3318 9.3318 9.3361 9.3361 10.9570 10.9570 k = 0.1408 0.1415 0.2910 ( 6840 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1913 -38.1913 -37.9175 -37.9175 -37.9175 -37.9175 -37.8827 -37.8827 -37.8825 -37.8825 -12.0803 -12.0803 -12.0801 -12.0801 -9.1806 -9.1806 -9.1802 -9.1802 -1.4948 -1.4948 -1.4788 -1.4788 -0.4084 -0.4084 -0.3957 -0.3957 1.0654 1.0654 1.1062 1.1062 1.8707 1.8707 1.9085 1.9085 3.3568 3.3568 3.3884 3.3884 4.8953 4.8953 4.9208 4.9208 6.8575 6.8575 6.8662 6.8662 9.3226 9.3226 9.3266 9.3266 10.9768 10.9768 k = 0.1314 0.1321 0.2910 ( 6842 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1913 -38.1913 -37.9175 -37.9175 -37.9175 -37.9175 -37.8827 -37.8827 -37.8825 -37.8825 -12.0864 -12.0864 -12.0862 -12.0862 -9.1764 -9.1764 -9.1760 -9.1760 -1.4794 -1.4794 -1.4632 -1.4632 -0.3911 -0.3911 -0.3788 -0.3787 1.0674 1.0674 1.1079 1.1079 1.8779 1.8779 1.9159 1.9159 3.3535 3.3535 3.3852 3.3852 4.8561 4.8561 4.8815 4.8815 6.8379 6.8379 6.8465 6.8465 9.3113 9.3113 9.3149 9.3149 10.9954 10.9954 k = 0.1220 0.1226 0.2910 ( 6838 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1912 -38.1912 -37.9175 -37.9175 -37.9174 -37.9174 -37.8827 -37.8827 -37.8825 -37.8825 -12.0921 -12.0921 -12.0920 -12.0920 -9.1724 -9.1724 -9.1721 -9.1721 -1.4645 -1.4645 -1.4482 -1.4482 -0.3741 -0.3741 -0.3621 -0.3621 1.0686 1.0686 1.1088 1.1088 1.8849 1.8849 1.9230 1.9230 3.3505 3.3505 3.3823 3.3823 4.8178 4.8178 4.8432 4.8432 6.8196 6.8196 6.8280 6.8280 9.2984 9.2984 9.3017 9.3017 11.0119 11.0119 k = 0.1126 0.1132 0.2910 ( 6846 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1912 -38.1912 -37.9175 -37.9175 -37.9174 -37.9174 -37.8827 -37.8827 -37.8825 -37.8825 -12.0975 -12.0975 -12.0974 -12.0974 -9.1687 -9.1687 -9.1684 -9.1684 -1.4503 -1.4503 -1.4339 -1.4339 -0.3576 -0.3576 -0.3460 -0.3460 1.0690 1.0690 1.1089 1.1089 1.8917 1.8917 1.9299 1.9299 3.3477 3.3477 3.3795 3.3795 4.7808 4.7808 4.8061 4.8061 6.8025 6.8025 6.8108 6.8108 9.2843 9.2843 9.2874 9.2874 11.0259 11.0259 k = 0.1032 0.1038 0.2910 ( 6834 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1912 -38.1912 -37.9175 -37.9175 -37.9174 -37.9174 -37.8827 -37.8827 -37.8825 -37.8825 -12.1025 -12.1025 -12.1024 -12.1024 -9.1653 -9.1653 -9.1649 -9.1649 -1.4367 -1.4367 -1.4202 -1.4202 -0.3417 -0.3417 -0.3304 -0.3304 1.0689 1.0689 1.1084 1.1084 1.8983 1.8983 1.9365 1.9365 3.3452 3.3452 3.3769 3.3769 4.7455 4.7455 4.7706 4.7706 6.7868 6.7868 6.7948 6.7948 9.2697 9.2697 9.2726 9.2726 11.0371 11.0371 k = 0.0938 0.0943 0.2910 ( 6834 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1912 -38.1912 -37.9175 -37.9175 -37.9174 -37.9174 -37.8827 -37.8827 -37.8825 -37.8825 -12.1072 -12.1072 -12.1070 -12.1070 -9.1621 -9.1621 -9.1618 -9.1618 -1.4240 -1.4240 -1.4074 -1.4074 -0.3265 -0.3265 -0.3157 -0.3157 1.0683 1.0683 1.1074 1.1074 1.9044 1.9044 1.9426 1.9426 3.3430 3.3430 3.3745 3.3745 4.7121 4.7121 4.7371 4.7371 6.7723 6.7723 6.7802 6.7802 9.2549 9.2549 9.2576 9.2576 11.0455 11.0455 k = 0.0845 0.0849 0.2910 ( 6830 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1912 -38.1912 -37.9175 -37.9175 -37.9174 -37.9174 -37.8827 -37.8827 -37.8825 -37.8825 -12.1114 -12.1114 -12.1113 -12.1113 -9.1591 -9.1591 -9.1589 -9.1589 -1.4121 -1.4121 -1.3954 -1.3954 -0.3122 -0.3122 -0.3018 -0.3018 1.0673 1.0673 1.1060 1.1060 1.9102 1.9102 1.9484 1.9484 3.3409 3.3409 3.3724 3.3724 4.6809 4.6809 4.7057 4.7057 6.7593 6.7593 6.7669 6.7669 9.2405 9.2405 9.2430 9.2430 11.0515 11.0515 k = 0.0751 0.0755 0.2910 ( 6822 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1912 -38.1912 -37.9175 -37.9175 -37.9174 -37.9174 -37.8826 -37.8826 -37.8825 -37.8825 -12.1153 -12.1153 -12.1152 -12.1152 -9.1565 -9.1565 -9.1562 -9.1562 -1.4012 -1.4012 -1.3844 -1.3844 -0.2990 -0.2990 -0.2890 -0.2890 1.0661 1.0661 1.1044 1.1044 1.9155 1.9155 1.9536 1.9536 3.3392 3.3392 3.3705 3.3705 4.6522 4.6522 4.6769 4.6769 6.7476 6.7476 6.7549 6.7549 9.2267 9.2267 9.2290 9.2290 11.0555 11.0555 k = 0.0657 0.0660 0.2910 ( 6818 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1912 -38.1912 -37.9174 -37.9174 -37.9174 -37.9174 -37.8826 -37.8826 -37.8825 -37.8825 -12.1187 -12.1187 -12.1186 -12.1186 -9.1541 -9.1541 -9.1539 -9.1539 -1.3913 -1.3913 -1.3745 -1.3745 -0.2869 -0.2869 -0.2775 -0.2775 1.0648 1.0648 1.1026 1.1026 1.9203 1.9203 1.9583 1.9583 3.3377 3.3377 3.3688 3.3688 4.6263 4.6263 4.6508 4.6508 6.7372 6.7372 6.7443 6.7443 9.2138 9.2138 9.2160 9.2160 11.0578 11.0578 k = 0.0563 0.0566 0.2910 ( 6824 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1912 -38.1912 -37.9174 -37.9174 -37.9174 -37.9174 -37.8826 -37.8826 -37.8825 -37.8825 -12.1217 -12.1217 -12.1216 -12.1216 -9.1521 -9.1521 -9.1518 -9.1518 -1.3826 -1.3826 -1.3658 -1.3658 -0.2762 -0.2762 -0.2672 -0.2672 1.0634 1.0634 1.1008 1.1008 1.9246 1.9246 1.9624 1.9625 3.3364 3.3364 3.3673 3.3673 4.6034 4.6034 4.6277 4.6277 6.7282 6.7282 6.7351 6.7351 9.2021 9.2021 9.2042 9.2042 11.0590 11.0590 k = 0.0469 0.0472 0.2910 ( 6824 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1912 -38.1912 -37.9174 -37.9174 -37.9174 -37.9174 -37.8826 -37.8826 -37.8825 -37.8825 -12.1242 -12.1242 -12.1241 -12.1241 -9.1503 -9.1503 -9.1501 -9.1501 -1.3751 -1.3751 -1.3582 -1.3582 -0.2669 -0.2669 -0.2583 -0.2583 1.0621 1.0621 1.0992 1.0992 1.9282 1.9282 1.9660 1.9660 3.3353 3.3353 3.3661 3.3661 4.5837 4.5837 4.6078 4.6078 6.7206 6.7206 6.7273 6.7273 9.1919 9.1919 9.1939 9.1939 11.0593 11.0593 k = 0.0375 0.0377 0.2910 ( 6820 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1912 -38.1912 -37.9174 -37.9174 -37.9174 -37.9174 -37.8826 -37.8826 -37.8825 -37.8825 -12.1263 -12.1263 -12.1262 -12.1262 -9.1489 -9.1489 -9.1487 -9.1487 -1.3688 -1.3688 -1.3519 -1.3519 -0.2592 -0.2592 -0.2509 -0.2509 1.0609 1.0609 1.0977 1.0977 1.9313 1.9313 1.9689 1.9689 3.3345 3.3345 3.3651 3.3651 4.5673 4.5673 4.5913 4.5913 6.7144 6.7144 6.7209 6.7209 9.1834 9.1834 9.1852 9.1852 11.0591 11.0591 k = 0.0282 0.0283 0.2910 ( 6828 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1912 -38.1912 -37.9174 -37.9174 -37.9174 -37.9174 -37.8826 -37.8826 -37.8825 -37.8825 -12.1280 -12.1280 -12.1279 -12.1279 -9.1477 -9.1477 -9.1476 -9.1476 -1.3639 -1.3639 -1.3470 -1.3470 -0.2531 -0.2531 -0.2451 -0.2451 1.0599 1.0599 1.0964 1.0964 1.9337 1.9337 1.9712 1.9712 3.3338 3.3338 3.3643 3.3643 4.5544 4.5544 4.5782 4.5782 6.7095 6.7095 6.7159 6.7159 9.1765 9.1765 9.1783 9.1783 11.0586 11.0586 k = 0.0188 0.0189 0.2910 ( 6824 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1912 -38.1912 -37.9174 -37.9174 -37.9174 -37.9174 -37.8826 -37.8826 -37.8825 -37.8825 -12.1291 -12.1291 -12.1291 -12.1291 -9.1469 -9.1469 -9.1468 -9.1468 -1.3603 -1.3603 -1.3434 -1.3434 -0.2487 -0.2487 -0.2409 -0.2409 1.0592 1.0592 1.0955 1.0955 1.9354 1.9354 1.9728 1.9728 3.3334 3.3334 3.3638 3.3638 4.5451 4.5451 4.5689 4.5689 6.7061 6.7061 6.7123 6.7123 9.1716 9.1716 9.1733 9.1733 11.0582 11.0582 k = 0.0094 0.0094 0.2910 ( 6828 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1912 -38.1912 -37.9174 -37.9174 -37.9174 -37.9174 -37.8826 -37.8826 -37.8825 -37.8825 -12.1298 -12.1298 -12.1298 -12.1298 -9.1464 -9.1464 -9.1463 -9.1463 -1.3581 -1.3581 -1.3413 -1.3413 -0.2460 -0.2460 -0.2384 -0.2384 1.0587 1.0587 1.0949 1.0949 1.9364 1.9364 1.9738 1.9738 3.3331 3.3331 3.3635 3.3635 4.5395 4.5395 4.5632 4.5632 6.7040 6.7040 6.7101 6.7101 9.1686 9.1686 9.1703 9.1703 11.0578 11.0578 k = 0.0000 0.0000 0.2910 ( 6830 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1912 -38.1912 -37.9174 -37.9174 -37.9174 -37.9174 -37.8826 -37.8826 -37.8825 -37.8825 -12.1301 -12.1301 -12.1300 -12.1300 -9.1463 -9.1463 -9.1461 -9.1461 -1.3574 -1.3574 -1.3405 -1.3405 -0.2451 -0.2451 -0.2375 -0.2375 1.0586 1.0586 1.0947 1.0947 1.9368 1.9368 1.9741 1.9741 3.3330 3.3330 3.3634 3.3634 4.5377 4.5377 4.5613 4.5613 6.7033 6.7033 6.7094 6.7094 9.1676 9.1676 9.1692 9.1692 11.0577 11.0577 k = 0.0000 0.0000 0.2910 ( 6830 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1912 -38.1912 -37.9174 -37.9174 -37.9174 -37.9174 -37.8826 -37.8826 -37.8825 -37.8825 -12.1301 -12.1301 -12.1300 -12.1300 -9.1463 -9.1463 -9.1461 -9.1461 -1.3574 -1.3574 -1.3405 -1.3405 -0.2451 -0.2451 -0.2375 -0.2375 1.0586 1.0586 1.0947 1.0947 1.9368 1.9368 1.9741 1.9741 3.3330 3.3330 3.3634 3.3634 4.5377 4.5377 4.5613 4.5613 6.7033 6.7033 6.7094 6.7094 9.1676 9.1676 9.1692 9.1692 11.0577 11.0577 k = 0.0000 0.0000 0.2778 ( 6832 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1912 -38.1912 -38.1912 -37.9174 -37.9174 -37.9174 -37.9174 -37.8827 -37.8826 -37.8826 -37.8825 -12.1686 -12.1685 -12.0900 -12.0899 -9.2146 -9.2145 -9.0792 -9.0791 -1.3736 -1.3566 -1.3414 -1.3248 -0.2686 -0.2618 -0.2208 -0.2124 1.0284 1.0647 1.0883 1.1245 1.9288 1.9445 1.9664 1.9813 3.3240 3.3402 3.3558 3.3689 4.5354 4.5438 4.5584 4.5680 6.6633 6.6699 6.7400 6.7455 9.0950 9.0979 9.2415 9.2418 11.0225 11.0279 k = 0.0000 0.0000 0.2645 ( 6840 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1912 -38.1912 -38.1912 -37.9175 -37.9174 -37.9174 -37.9174 -37.8827 -37.8826 -37.8826 -37.8824 -12.2055 -12.2054 -12.0484 -12.0484 -9.2840 -9.2839 -9.0136 -9.0135 -1.3899 -1.3730 -1.3258 -1.3094 -0.2912 -0.2852 -0.1958 -0.1864 0.9981 1.0345 1.1173 1.1536 1.9212 1.9519 1.9586 1.9878 3.3131 3.3455 3.3462 3.3724 4.5371 4.5538 4.5593 4.5783 6.6200 6.6270 6.7735 6.7783 9.0243 9.0285 9.3147 9.3159 10.9946 10.9991 k = 0.0000 0.0000 0.2513 ( 6836 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1912 -38.1912 -38.1911 -37.9175 -37.9174 -37.9174 -37.9174 -37.8828 -37.8826 -37.8825 -37.8824 -12.2408 -12.2407 -12.0054 -12.0053 -9.3544 -9.3542 -8.9497 -8.9495 -1.4063 -1.3894 -1.3105 -1.2945 -0.3131 -0.3077 -0.1700 -0.1597 0.9677 1.0043 1.1453 1.1817 1.9144 1.9512 1.9587 1.9933 3.3003 3.3345 3.3491 3.3741 4.5428 4.5641 4.5672 4.5920 6.5735 6.5809 6.8037 6.8078 8.9563 8.9617 9.3871 9.3898 10.9750 10.9784 k = 0.0000 0.0000 0.2381 ( 6832 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1912 -38.1911 -37.9175 -37.9174 -37.9174 -37.9173 -37.8828 -37.8827 -37.8825 -37.8824 -12.2744 -12.2743 -11.9609 -11.9608 -9.4255 -9.4253 -8.8875 -8.8873 -1.4226 -1.4059 -1.2957 -1.2802 -0.3340 -0.3292 -0.1436 -0.1321 0.9375 0.9744 1.1717 1.2083 1.9088 1.9447 1.9647 1.9977 3.2857 3.3208 3.3509 3.3739 4.5526 4.5729 4.5840 4.6087 6.5240 6.5317 6.8307 6.8340 8.8913 8.8979 9.4580 9.4622 10.9646 10.9667 k = 0.0000 0.0000 0.2248 ( 6840 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1914 -38.1913 -38.1912 -38.1911 -37.9175 -37.9175 -37.9174 -37.9173 -37.8828 -37.8827 -37.8824 -37.8823 -12.3063 -12.3062 -11.9151 -11.9150 -9.4971 -9.4970 -8.8273 -8.8271 -1.4387 -1.4223 -1.2815 -1.2664 -0.3540 -0.3497 -0.1165 -0.1038 0.9074 0.9446 1.1962 1.2329 1.9053 1.9399 1.9699 2.0011 3.2692 3.3049 3.3511 3.3721 4.5664 4.5857 4.6037 4.6281 6.4716 6.4794 6.8546 6.8571 8.8297 8.8373 9.5262 9.5318 10.9643 10.9651 k = 0.0000 0.0000 0.2116 ( 6834 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1914 -38.1913 -38.1911 -38.1911 -37.9175 -37.9175 -37.9174 -37.9173 -37.8829 -37.8828 -37.8824 -37.8823 -12.3365 -12.3364 -11.8679 -11.8678 -9.5692 -9.5691 -8.7693 -8.7691 -1.4546 -1.4385 -1.2678 -1.2534 -0.3731 -0.3693 -0.0888 -0.0749 0.8776 0.9152 1.2182 1.2550 1.9043 1.9374 1.9742 2.0034 3.2509 3.2869 3.3497 3.3688 4.5842 4.6025 4.6260 4.6500 6.4164 6.4243 6.8757 6.8772 8.7718 8.7804 9.5906 9.5977 10.9744 10.9751 k = 0.0000 0.0000 0.1984 ( 6838 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1914 -38.1913 -38.1911 -38.1911 -37.9175 -37.9175 -37.9173 -37.9173 -37.8829 -37.8828 -37.8823 -37.8822 -12.3650 -12.3649 -11.8196 -11.8195 -9.6414 -9.6413 -8.7137 -8.7135 -1.4701 -1.4545 -1.2549 -1.2411 -0.3912 -0.3878 -0.0604 -0.0453 0.8480 0.8860 1.2373 1.2739 1.9066 1.9381 1.9777 2.0048 3.2308 3.2670 3.3469 3.3640 4.6058 4.6231 4.6505 4.6737 6.3587 6.3666 6.8939 6.8946 8.7179 8.7274 9.6501 9.6585 10.9953 10.9975 k = 0.0000 0.0000 0.1852 ( 6838 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1914 -38.1913 -38.1911 -38.1910 -37.9175 -37.9175 -37.9173 -37.9173 -37.8830 -37.8829 -37.8823 -37.8822 -12.3917 -12.3916 -11.7702 -11.7701 -9.7137 -9.7136 -8.6606 -8.6604 -1.4851 -1.4701 -1.2426 -1.2296 -0.4083 -0.4053 -0.0316 -0.0150 0.8186 0.8570 1.2530 1.2893 1.9126 1.9424 1.9805 2.0053 3.2089 3.2450 3.3429 3.3581 4.6313 4.6475 4.6766 4.6990 6.2987 6.3065 6.9094 6.9095 8.6680 8.6783 9.7040 9.7135 11.0282 11.0319 k = 0.0000 0.0000 0.1719 ( 6834 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1914 -38.1914 -38.1911 -38.1910 -37.9175 -37.9175 -37.9173 -37.9173 -37.8830 -37.8829 -37.8823 -37.8822 -12.4166 -12.4166 -11.7197 -11.7196 -9.7858 -9.7856 -8.6101 -8.6100 -1.4996 -1.4852 -1.2311 -1.2188 -0.4243 -0.4217 -0.0022 0.0158 0.7894 0.8282 1.2652 1.3009 1.9227 1.9509 1.9826 2.0051 3.1854 3.2212 3.3378 3.3512 4.6604 4.6756 4.7040 4.7252 6.2367 6.2443 6.9218 6.9229 8.6223 8.6332 9.7516 9.7620 11.0733 11.0783 k = 0.0000 0.0000 0.1587 ( 6834 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1914 -38.1914 -38.1910 -38.1910 -37.9176 -37.9175 -37.9173 -37.9172 -37.8830 -37.8829 -37.8822 -37.8821 -12.4398 -12.4398 -11.6685 -11.6684 -9.8574 -9.8573 -8.5626 -8.5624 -1.5134 -1.4997 -1.2204 -1.2089 -0.4393 -0.4370 0.0276 0.0470 0.7604 0.7995 1.2738 1.3085 1.9370 1.9635 1.9842 2.0044 3.1604 3.1956 3.3318 3.3436 4.6928 4.7073 4.7322 4.7519 6.1728 6.1802 6.9323 6.9340 8.5808 8.5921 9.7930 9.8039 11.1300 11.1361 k = 0.0000 0.0000 0.1455 ( 6822 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1914 -38.1910 -38.1910 -37.9176 -37.9175 -37.9173 -37.9172 -37.8831 -37.8830 -37.8821 -37.8821 -12.4612 -12.4611 -11.6165 -11.6164 -9.9283 -9.9282 -8.5182 -8.5180 -1.5264 -1.5136 -1.2105 -1.1999 -0.4532 -0.4512 0.0579 0.0788 0.7314 0.7708 1.2791 1.3124 1.9550 1.9799 1.9855 2.0037 3.1341 3.1685 3.3253 3.3355 4.7284 4.7425 4.7609 4.7785 6.1075 6.1146 6.9409 6.9433 8.5433 8.5549 9.8282 9.8393 11.1974 11.2044 k = 0.0000 0.0000 0.1323 ( 6828 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1914 -38.1910 -38.1910 -37.9176 -37.9176 -37.9172 -37.9172 -37.8831 -37.8830 -37.8821 -37.8820 -12.4807 -12.4807 -11.5642 -11.5641 -9.9983 -9.9982 -8.4769 -8.4768 -1.5386 -1.5267 -1.2014 -1.1917 -0.4660 -0.4642 0.0885 0.1109 0.7024 0.7421 1.2815 1.3129 1.9749 1.9883 1.9955 2.0072 3.1068 3.1401 3.3183 3.3270 4.7662 4.7808 4.7902 4.8046 6.0410 6.0477 6.9480 6.9510 8.5099 8.5215 9.8578 9.8688 11.2742 11.2819 k = 0.0000 0.0000 0.1190 ( 6822 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1914 -38.1910 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8831 -37.8830 -37.8821 -37.8820 -12.4984 -12.4984 -11.5117 -11.5116 -10.0669 -10.0668 -8.4391 -8.4389 -1.5498 -1.5389 -1.1931 -1.1843 -0.4776 -0.4761 0.1194 0.1434 0.6735 0.7133 1.2815 1.3108 1.9834 1.9975 2.0051 2.0271 3.0788 3.1107 3.3111 3.3185 4.8030 4.8220 4.8225 4.8299 5.9737 5.9800 6.9539 6.9572 8.4804 8.4918 9.8824 9.8930 11.3587 11.3669 k = 0.0000 0.0000 0.1058 ( 6820 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1910 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8831 -37.8831 -37.8820 -37.8820 -12.5143 -12.5143 -11.4594 -11.4593 -10.1337 -10.1336 -8.4047 -8.4046 -1.5601 -1.5502 -1.1857 -1.1779 -0.4881 -0.4868 0.1506 0.1761 0.6444 0.6843 1.2798 1.3065 1.9844 1.9962 2.0313 2.0526 3.0505 3.0808 3.3040 3.3103 4.8335 4.8529 4.8627 4.8669 5.9060 5.9118 6.9587 6.9623 8.4547 8.4657 9.9027 9.9126 11.4493 11.4578 k = 0.0000 0.0000 0.0926 ( 6812 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8831 -37.8831 -37.8820 -37.8819 -12.5283 -12.5283 -11.4080 -11.4079 -10.1981 -10.1980 -8.3741 -8.3740 -1.5692 -1.5604 -1.1792 -1.1723 -0.4974 -0.4963 0.1820 0.2090 0.6152 0.6551 1.2770 1.3008 1.9846 1.9944 2.0595 2.0795 3.0225 3.0508 3.2972 3.3023 4.8587 4.8747 4.9089 4.9136 5.8381 5.8434 6.9626 6.9663 8.4326 8.4430 9.9192 9.9283 11.5438 11.5525 k = 0.0000 0.0000 0.0794 ( 6806 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8831 -37.8831 -37.8820 -37.8819 -12.5405 -12.5405 -11.3580 -11.3579 -10.2594 -10.2593 -8.3472 -8.3471 -1.5772 -1.5695 -1.1734 -1.1675 -0.5055 -0.5045 0.2135 0.2420 0.5857 0.6255 1.2735 1.2943 1.9846 1.9926 2.0881 2.1066 2.9956 3.0215 3.2909 3.2950 4.8806 4.8941 4.9582 4.9625 5.7707 5.7754 6.9659 6.9694 8.4140 8.4234 9.9327 9.9407 11.6400 11.6488 k = 0.0000 0.0000 0.0661 ( 6810 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8832 -37.8831 -37.8820 -37.8819 -12.5508 -12.5508 -11.3105 -11.3105 -10.3165 -10.3164 -8.3243 -8.3242 -1.5840 -1.5775 -1.1685 -1.1635 -0.5123 -0.5116 0.2451 0.2751 0.5561 0.5956 1.2701 1.2877 1.9845 1.9910 2.1159 2.1325 2.9706 2.9935 3.2852 3.2885 4.8997 4.9108 5.0095 5.0132 5.7043 5.7083 6.9686 6.9719 8.3987 8.4070 9.9435 9.9504 11.6694 11.6739 k = 0.0000 0.0000 0.0529 ( 6817 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8832 -37.8831 -37.8820 -37.8819 -12.5593 -12.5593 -11.2669 -11.2669 -10.3680 -10.3680 -8.3054 -8.3054 -1.5894 -1.5842 -1.1644 -1.1604 -0.5180 -0.5173 0.2767 0.3080 0.5263 0.5653 1.2670 1.2812 1.9844 1.9894 2.1417 2.1560 2.9483 2.9678 3.2803 3.2828 4.9159 4.9247 5.0618 5.0647 5.6398 5.6431 6.9708 6.9737 8.3866 8.3935 9.9521 9.9577 11.6616 11.6653 k = 0.0000 0.0000 0.0397 ( 6813 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8832 -37.8831 -37.8819 -37.8819 -12.5658 -12.5658 -11.2290 -11.2290 -10.4121 -10.4121 -8.2906 -8.2906 -1.5936 -1.5897 -1.1611 -1.1581 -0.5223 -0.5219 0.3082 0.3408 0.4963 0.5346 1.2647 1.2754 1.9845 1.9881 2.1642 2.1756 2.9300 2.9454 3.2765 3.2783 4.9289 4.9355 5.1135 5.1156 5.5787 5.5813 6.9726 6.9749 8.3775 8.3829 9.9586 9.9629 11.6540 11.6569 k = 0.0000 0.0000 0.0265 ( 6813 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5705 -12.5705 -11.1991 -11.1991 -10.4465 -10.4465 -8.2800 -8.2800 -1.5964 -1.5938 -1.1586 -1.1567 -0.5254 -0.5251 0.3396 0.3730 0.4663 0.5036 1.2634 1.2706 1.9846 1.9870 2.1821 2.1901 2.9168 2.9275 3.2737 3.2748 4.9386 4.9430 5.1618 5.1631 5.5239 5.5258 6.9741 6.9756 8.3714 8.3750 9.9634 9.9663 11.6478 11.6497 k = 0.0000 0.0000 0.0132 ( 6805 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5734 -12.5734 -11.1797 -11.1797 -10.4685 -10.4685 -8.2736 -8.2736 -1.5978 -1.5965 -1.1570 -1.1560 -0.5273 -0.5271 0.3706 0.4029 0.4382 0.4725 1.2632 1.2669 1.9849 1.9861 2.1944 2.1985 2.9096 2.9151 3.2721 3.2727 4.9449 4.9471 5.1999 5.2005 5.4822 5.4832 6.9751 6.9759 8.3681 8.3700 9.9665 9.9679 11.6440 11.6449 k = 0.0000 0.0000 0.0000 ( 6817 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5743 -12.5743 -11.1730 -11.1730 -10.4762 -10.4762 -8.2715 -8.2715 -1.5979 -1.5979 -1.1561 -1.1561 -0.5278 -0.5278 0.3999 0.3999 0.4425 0.4425 1.2644 1.2644 1.9854 1.9854 2.1999 2.1999 2.9089 2.9089 3.2717 3.2717 4.9477 4.9477 5.2157 5.2157 5.4658 5.4658 6.9757 6.9757 8.3677 8.3677 9.9680 9.9680 11.6429 11.6429 k = 0.0000 0.0000 0.0000 ( 6817 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5743 -12.5743 -11.1730 -11.1730 -10.4762 -10.4762 -8.2715 -8.2715 -1.5979 -1.5979 -1.1561 -1.1561 -0.5278 -0.5278 0.3999 0.3999 0.4425 0.4425 1.2644 1.2644 1.9854 1.9854 2.1999 2.1999 2.9089 2.9089 3.2717 3.2717 4.9477 4.9477 5.2157 5.2157 5.4658 5.4658 6.9757 6.9757 8.3677 8.3677 9.9680 9.9680 11.6429 11.6429 k =-0.0094 0.0094 0.0000 ( 6811 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5740 -12.5740 -11.1729 -11.1729 -10.4760 -10.4760 -8.2719 -8.2719 -1.5979 -1.5979 -1.1574 -1.1574 -0.5280 -0.5280 0.3993 0.3993 0.4412 0.4412 1.2639 1.2639 1.9862 1.9862 2.1994 2.1994 2.9084 2.9084 3.2737 3.2737 4.9483 4.9483 5.2184 5.2184 5.4663 5.4663 6.9780 6.9780 8.3685 8.3685 9.9689 9.9689 11.6413 11.6413 k =-0.0189 0.0188 0.0000 ( 6815 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5732 -12.5732 -11.1725 -11.1725 -10.4757 -10.4757 -8.2732 -8.2732 -1.5981 -1.5981 -1.1615 -1.1615 -0.5284 -0.5284 0.3975 0.3975 0.4375 0.4375 1.2623 1.2623 1.9885 1.9885 2.1977 2.1977 2.9067 2.9067 3.2794 3.2794 4.9501 4.9501 5.2263 5.2263 5.4679 5.4679 6.9850 6.9850 8.3709 8.3709 9.9716 9.9716 11.6365 11.6365 k =-0.0283 0.0282 0.0000 ( 6820 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5719 -12.5719 -11.1720 -11.1720 -10.4750 -10.4750 -8.2753 -8.2753 -1.5985 -1.5985 -1.1683 -1.1683 -0.5291 -0.5291 0.3942 0.3942 0.4316 0.4316 1.2597 1.2597 1.9923 1.9923 2.1948 2.1948 2.9038 2.9038 3.2890 3.2890 4.9530 4.9530 5.2394 5.2394 5.4706 5.4706 6.9966 6.9966 8.3749 8.3749 9.9761 9.9761 11.6283 11.6283 k =-0.0377 0.0375 0.0000 ( 6820 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5700 -12.5700 -11.1712 -11.1712 -10.4741 -10.4741 -8.2782 -8.2782 -1.5990 -1.5990 -1.1776 -1.1776 -0.5300 -0.5300 0.3889 0.3889 0.4243 0.4243 1.2561 1.2561 1.9976 1.9976 2.1909 2.1909 2.8997 2.8997 3.3021 3.3021 4.9571 4.9571 5.2577 5.2577 5.4744 5.4744 7.0127 7.0127 8.3804 8.3804 9.9822 9.9822 11.6163 11.6163 k =-0.0472 0.0469 0.0000 ( 6834 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5677 -12.5677 -11.1703 -11.1703 -10.4730 -10.4730 -8.2820 -8.2820 -1.5996 -1.5996 -1.1895 -1.1895 -0.5313 -0.5313 0.3805 0.3805 0.4165 0.4165 1.2517 1.2517 2.0043 2.0043 2.1859 2.1859 2.8943 2.8943 3.3188 3.3188 4.9624 4.9624 5.2810 5.2810 5.4792 5.4792 7.0333 7.0333 8.3875 8.3875 9.9896 9.9896 11.6002 11.6002 k =-0.0566 0.0563 0.0000 ( 6830 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9176 -37.9176 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5648 -12.5648 -11.1691 -11.1691 -10.4716 -10.4716 -8.2866 -8.2866 -1.6003 -1.6003 -1.2036 -1.2036 -0.5327 -0.5327 0.3685 0.3685 0.4090 0.4090 1.2465 1.2465 2.0122 2.0122 2.1799 2.1799 2.8876 2.8876 3.3387 3.3387 4.9689 4.9689 5.3093 5.3093 5.4849 5.4849 7.0583 7.0583 8.3961 8.3961 9.9982 9.9982 11.5794 11.5794 k =-0.0660 0.0657 0.0000 ( 6832 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1915 -38.1915 -38.1909 -38.1909 -37.9177 -37.9177 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5614 -12.5614 -11.1677 -11.1677 -10.4700 -10.4700 -8.2920 -8.2920 -1.6012 -1.6012 -1.2200 -1.2200 -0.5344 -0.5344 0.3527 0.3527 0.4023 0.4023 1.2406 1.2406 2.0212 2.0212 2.1730 2.1730 2.8796 2.8796 3.3617 3.3617 4.9767 4.9767 5.3423 5.3423 5.4915 5.4915 7.0876 7.0876 8.4060 8.4060 10.0077 10.0077 11.5532 11.5532 k =-0.0755 0.0751 0.0000 ( 6838 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1916 -38.1916 -38.1909 -38.1909 -37.9177 -37.9177 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5575 -12.5575 -11.1661 -11.1661 -10.4681 -10.4681 -8.2981 -8.2981 -1.6023 -1.6023 -1.2383 -1.2383 -0.5363 -0.5363 0.3337 0.3337 0.3958 0.3958 1.2342 1.2342 2.0313 2.0313 2.1651 2.1651 2.8701 2.8701 3.3875 3.3875 4.9857 4.9857 5.3798 5.3798 5.4990 5.4990 7.1208 7.1208 8.4173 8.4173 10.0175 10.0175 11.5211 11.5211 k =-0.0849 0.0845 0.0000 ( 6846 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1916 -38.1916 -38.1909 -38.1909 -37.9177 -37.9177 -37.9172 -37.9172 -37.8832 -37.8832 -37.8819 -37.8819 -12.5532 -12.5532 -11.1643 -11.1643 -10.4661 -10.4661 -8.3050 -8.3050 -1.6035 -1.6035 -1.2585 -1.2585 -0.5384 -0.5384 0.3120 0.3120 0.3893 0.3893 1.2274 1.2274 2.0422 2.0422 2.1565 2.1565 2.8590 2.8590 3.4158 3.4158 4.9960 4.9960 5.4215 5.4215 5.5075 5.5075 7.1580 7.1580 8.4298 8.4298 10.0272 10.0272 11.4823 11.4823 k =-0.0943 0.0938 0.0000 ( 6850 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1916 -38.1916 -38.1909 -38.1909 -37.9177 -37.9177 -37.9172 -37.9172 -37.8832 -37.8832 -37.8820 -37.8820 -12.5483 -12.5483 -11.1624 -11.1624 -10.4637 -10.4637 -8.3126 -8.3126 -1.6048 -1.6048 -1.2803 -1.2803 -0.5407 -0.5407 0.2881 0.2881 0.3824 0.3824 1.2202 1.2202 2.0538 2.0538 2.1470 2.1470 2.8465 2.8465 3.4463 3.4463 5.0077 5.0077 5.4668 5.4668 5.5172 5.5172 7.1989 7.1989 8.4433 8.4433 10.0362 10.0362 11.4366 11.4366 k =-0.1038 0.1032 0.0000 ( 6854 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1916 -38.1916 -38.1910 -38.1910 -37.9177 -37.9177 -37.9172 -37.9172 -37.8833 -37.8833 -37.8820 -37.8820 -12.5430 -12.5430 -11.1602 -11.1602 -10.4612 -10.4612 -8.3209 -8.3209 -1.6063 -1.6063 -1.3035 -1.3035 -0.5431 -0.5431 0.2624 0.2624 0.3751 0.3751 1.2129 1.2129 2.0658 2.0658 2.1370 2.1370 2.8322 2.8322 3.4787 3.4787 5.0207 5.0207 5.5109 5.5109 5.5324 5.5324 7.2431 7.2431 8.4577 8.4577 10.0438 10.0438 11.3837 11.3837 k =-0.1132 0.1126 0.0000 ( 6850 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1916 -38.1916 -38.1909 -38.1909 -37.9177 -37.9177 -37.9172 -37.9172 -37.8833 -37.8833 -37.8819 -37.8819 -12.5373 -12.5373 -11.1579 -11.1579 -10.4585 -10.4585 -8.3298 -8.3298 -1.6079 -1.6079 -1.3280 -1.3280 -0.5456 -0.5456 0.2352 0.2352 0.3673 0.3673 1.2055 1.2055 2.0780 2.0780 2.1265 2.1265 2.8164 2.8164 3.5129 3.5129 5.0351 5.0351 5.5313 5.5313 5.5753 5.5753 7.2906 7.2906 8.4729 8.4729 10.0491 10.0491 11.3240 11.3240 k =-0.1226 0.1220 0.0000 ( 6850 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1916 -38.1916 -38.1910 -38.1910 -37.9177 -37.9177 -37.9172 -37.9172 -37.8833 -37.8833 -37.8819 -37.8819 -12.5312 -12.5312 -11.1555 -11.1555 -10.4556 -10.4556 -8.3394 -8.3394 -1.6097 -1.6097 -1.3536 -1.3536 -0.5482 -0.5482 0.2068 0.2068 0.3589 0.3589 1.1981 1.1981 2.0897 2.0897 2.1159 2.1159 2.7988 2.7988 3.5484 3.5484 5.0508 5.0508 5.5428 5.5428 5.6307 5.6307 7.3408 7.3408 8.4885 8.4885 10.0513 10.0513 11.2582 11.2582 k =-0.1321 0.1314 0.0000 ( 6858 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1916 -38.1916 -38.1910 -38.1910 -37.9177 -37.9177 -37.9173 -37.9173 -37.8833 -37.8833 -37.8820 -37.8820 -12.5246 -12.5246 -11.1529 -11.1529 -10.4525 -10.4525 -8.3496 -8.3496 -1.6116 -1.6116 -1.3800 -1.3800 -0.5508 -0.5508 0.1774 0.1774 0.3500 0.3500 1.1910 1.1910 2.0968 2.0968 2.1094 2.1094 2.7795 2.7795 3.5850 3.5850 5.0680 5.0680 5.5537 5.5537 5.6899 5.6899 7.3935 7.3935 8.5042 8.5042 10.0496 10.0496 11.1874 11.1874 k =-0.1415 0.1408 0.0000 ( 6856 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1916 -38.1916 -38.1910 -38.1910 -37.9177 -37.9177 -37.9173 -37.9173 -37.8833 -37.8833 -37.8820 -37.8820 -12.5177 -12.5177 -11.1501 -11.1501 -10.4492 -10.4492 -8.3603 -8.3603 -1.6137 -1.6137 -1.4072 -1.4072 -0.5534 -0.5534 0.1472 0.1472 0.3407 0.3407 1.1841 1.1841 2.0889 2.0889 2.1173 2.1173 2.7585 2.7585 3.6224 3.6224 5.0865 5.0865 5.5646 5.5646 5.7517 5.7517 7.4483 7.4483 8.5198 8.5198 10.0432 10.0432 11.1126 11.1126 k =-0.1509 0.1501 0.0000 ( 6854 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1916 -38.1916 -38.1910 -38.1910 -37.9178 -37.9178 -37.9173 -37.9173 -37.8833 -37.8833 -37.8820 -37.8820 -12.5104 -12.5104 -11.1472 -11.1472 -10.4458 -10.4458 -8.3715 -8.3715 -1.6159 -1.6159 -1.4348 -1.4348 -0.5560 -0.5560 0.1166 0.1166 0.3309 0.3309 1.1775 1.1775 2.0771 2.0771 2.1281 2.1281 2.7357 2.7357 3.6604 3.6604 5.1065 5.1065 5.5755 5.5755 5.8156 5.8156 7.5048 7.5048 8.5349 8.5349 10.0319 10.0319 11.0355 11.0355 k =-0.1604 0.1595 0.0000 ( 6854 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1910 -38.1910 -37.9178 -37.9178 -37.9173 -37.9173 -37.8833 -37.8833 -37.8820 -37.8820 -12.5028 -12.5028 -11.1442 -11.1442 -10.4422 -10.4422 -8.3832 -8.3832 -1.6183 -1.6183 -1.4628 -1.4628 -0.5584 -0.5584 0.0855 0.0855 0.3208 0.3208 1.1714 1.1714 2.0647 2.0647 2.1387 2.1387 2.7112 2.7112 3.6987 3.6987 5.1279 5.1279 5.5864 5.5864 5.8811 5.8811 7.5623 7.5623 8.5489 8.5489 10.0155 10.0155 10.9574 10.9574 k =-0.1698 0.1689 0.0000 ( 6844 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1916 -38.1916 -38.1910 -38.1910 -37.9178 -37.9178 -37.9173 -37.9173 -37.8833 -37.8833 -37.8820 -37.8820 -12.4949 -12.4949 -11.1411 -11.1411 -10.4385 -10.4385 -8.3953 -8.3953 -1.6208 -1.6208 -1.4911 -1.4911 -0.5607 -0.5607 0.0543 0.0543 0.3105 0.3105 1.1657 1.1657 2.0520 2.0520 2.1485 2.1485 2.6850 2.6850 3.7372 3.7372 5.1506 5.1506 5.5973 5.5973 5.9477 5.9477 7.6203 7.6203 8.5614 8.5614 9.9948 9.9948 10.8800 10.8800 k =-0.1792 0.1783 0.0000 ( 6848 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1910 -38.1910 -37.9178 -37.9178 -37.9173 -37.9173 -37.8833 -37.8833 -37.8820 -37.8820 -12.4867 -12.4867 -11.1379 -11.1379 -10.4347 -10.4347 -8.4078 -8.4078 -1.6235 -1.6235 -1.5194 -1.5194 -0.5629 -0.5629 0.0230 0.0230 0.2999 0.2999 1.1605 1.1605 2.0391 2.0391 2.1572 2.1572 2.6572 2.6572 3.7756 3.7756 5.1747 5.1747 5.6080 5.6080 6.0147 6.0147 7.6781 7.6781 8.5719 8.5719 9.9705 9.9705 10.8045 10.8045 k =-0.1887 0.1877 0.0000 ( 6852 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1910 -38.1910 -37.9178 -37.9178 -37.9173 -37.9173 -37.8833 -37.8833 -37.8820 -37.8820 -12.4782 -12.4782 -11.1347 -11.1347 -10.4308 -10.4308 -8.4207 -8.4207 -1.6265 -1.6265 -1.5475 -1.5475 -0.5647 -0.5647 -0.0081 -0.0081 0.2893 0.2893 1.1559 1.1559 2.0263 2.0263 2.1647 2.1647 2.6278 2.6278 3.8137 3.8137 5.2000 5.2000 5.6186 5.6186 6.0817 6.0817 7.7350 7.7350 8.5797 8.5797 9.9440 9.9440 10.7326 10.7326 k =-0.1981 0.1971 0.0000 ( 6854 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1910 -38.1910 -37.9178 -37.9178 -37.9173 -37.9173 -37.8833 -37.8833 -37.8820 -37.8820 -12.4695 -12.4695 -11.1313 -11.1313 -10.4267 -10.4267 -8.4338 -8.4338 -1.6298 -1.6298 -1.5753 -1.5753 -0.5663 -0.5663 -0.0389 -0.0389 0.2787 0.2787 1.1518 1.1518 2.0135 2.0135 2.1709 2.1709 2.5968 2.5968 3.8514 3.8514 5.2266 5.2266 5.6289 5.6289 6.1481 6.1481 7.7902 7.7902 8.5843 8.5843 9.9169 9.9169 10.6656 10.6656 k =-0.2075 0.2064 0.0000 ( 6854 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1910 -38.1910 -37.9178 -37.9178 -37.9173 -37.9173 -37.8833 -37.8833 -37.8820 -37.8820 -12.4606 -12.4606 -11.1279 -11.1279 -10.4226 -10.4226 -8.4472 -8.4472 -1.6339 -1.6339 -1.6022 -1.6022 -0.5676 -0.5676 -0.0694 -0.0694 0.2682 0.2682 1.1483 1.1483 2.0008 2.0008 2.1756 2.1756 2.5644 2.5644 3.8885 3.8885 5.2544 5.2544 5.6390 5.6390 6.2132 6.2132 7.8428 7.8428 8.5850 8.5850 9.8908 9.8908 10.6050 10.6050 k =-0.2170 0.2158 0.0000 ( 6856 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1911 -37.9178 -37.9178 -37.9174 -37.9174 -37.8833 -37.8833 -37.8820 -37.8820 -12.4515 -12.4515 -11.1245 -11.1245 -10.4184 -10.4184 -8.4607 -8.4607 -1.6421 -1.6421 -1.6247 -1.6247 -0.5684 -0.5684 -0.0995 -0.0995 0.2579 0.2579 1.1453 1.1453 1.9883 1.9883 2.1787 2.1787 2.5307 2.5307 3.9249 3.9249 5.2832 5.2832 5.6487 5.6487 6.2765 6.2765 7.8917 7.8917 8.5814 8.5814 9.8671 9.8671 10.5520 10.5520 k =-0.2264 0.2252 0.0000 ( 6866 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1911 -37.9179 -37.9179 -37.9174 -37.9174 -37.8833 -37.8833 -37.8821 -37.8821 -12.4423 -12.4423 -11.1210 -11.1210 -10.4142 -10.4142 -8.4745 -8.4745 -1.6627 -1.6627 -1.6346 -1.6346 -0.5688 -0.5688 -0.1289 -0.1289 0.2478 0.2478 1.1428 1.1428 1.9760 1.9760 2.1802 2.1802 2.4957 2.4957 3.9604 3.9604 5.3131 5.3131 5.6580 5.6580 6.3374 6.3374 7.9361 7.9361 8.5729 8.5729 9.8473 9.8473 10.5081 10.5081 k =-0.2358 0.2346 0.0000 ( 6866 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1911 -37.9179 -37.9179 -37.9174 -37.9174 -37.8834 -37.8834 -37.8820 -37.8820 -12.4330 -12.4330 -11.1175 -11.1175 -10.4099 -10.4099 -8.4883 -8.4883 -1.6880 -1.6880 -1.6392 -1.6392 -0.5688 -0.5688 -0.1577 -0.1577 0.2382 0.2382 1.1408 1.1408 1.9639 1.9639 2.1800 2.1800 2.4597 2.4597 3.9950 3.9950 5.3438 5.3438 5.6669 5.6669 6.3953 6.3953 7.9749 7.9749 8.5591 8.5591 9.8326 9.8326 10.4743 10.4743 k =-0.2453 0.2440 0.0000 ( 6862 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1911 -37.9179 -37.9179 -37.9174 -37.9174 -37.8834 -37.8834 -37.8821 -37.8821 -12.4235 -12.4235 -11.1140 -11.1140 -10.4056 -10.4056 -8.5022 -8.5022 -1.7137 -1.7137 -1.6431 -1.6431 -0.5682 -0.5682 -0.1858 -0.1858 0.2289 0.2289 1.1392 1.1392 1.9522 1.9522 2.1780 2.1780 2.4227 2.4227 4.0286 4.0286 5.3753 5.3753 5.6755 5.6755 6.4496 6.4496 8.0073 8.0073 8.5399 8.5399 9.8239 9.8239 10.4519 10.4519 k =-0.2547 0.2534 0.0000 ( 6858 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1917 -38.1917 -38.1911 -38.1911 -37.9179 -37.9179 -37.9174 -37.9174 -37.8834 -37.8834 -37.8821 -37.8821 -12.4141 -12.4141 -11.1105 -11.1105 -10.4013 -10.4013 -8.5160 -8.5160 -1.7390 -1.7390 -1.6467 -1.6467 -0.5670 -0.5670 -0.2131 -0.2131 0.2202 0.2202 1.1380 1.1380 1.9408 1.9408 2.1743 2.1743 2.3849 2.3849 4.0612 4.0612 5.4074 5.4074 5.6835 5.6835 6.5000 6.5000 8.0326 8.0326 8.5151 8.5151 9.8221 9.8221 10.4415 10.4415 k =-0.2642 0.2628 0.0000 ( 6854 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1911 -38.1911 -37.9179 -37.9179 -37.9174 -37.9174 -37.8834 -37.8834 -37.8820 -37.8820 -12.4046 -12.4046 -11.1071 -11.1071 -10.3970 -10.3970 -8.5299 -8.5299 -1.7637 -1.7637 -1.6503 -1.6503 -0.5653 -0.5653 -0.2395 -0.2395 0.2120 0.2120 1.1371 1.1371 1.9297 1.9297 2.1688 2.1688 2.3466 2.3466 4.0926 4.0926 5.4400 5.4400 5.6912 5.6912 6.5459 6.5459 8.0503 8.0503 8.4850 8.4850 9.8276 9.8276 10.4437 10.4437 k =-0.2736 0.2721 0.0000 ( 6854 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1911 -38.1911 -37.9179 -37.9179 -37.9174 -37.9174 -37.8834 -37.8834 -37.8820 -37.8820 -12.3952 -12.3952 -11.1036 -11.1036 -10.3928 -10.3928 -8.5436 -8.5436 -1.7877 -1.7877 -1.6539 -1.6539 -0.5629 -0.5629 -0.2650 -0.2650 0.2045 0.2045 1.1364 1.1364 1.9191 1.9191 2.1614 2.1614 2.3079 2.3079 4.1229 4.1229 5.4730 5.4730 5.6983 5.6983 6.5872 6.5872 8.0602 8.0602 8.4498 8.4498 9.8408 9.8408 10.4587 10.4587 k =-0.2830 0.2815 0.0000 ( 6846 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1911 -38.1911 -37.9179 -37.9179 -37.9175 -37.9175 -37.8833 -37.8833 -37.8821 -37.8821 -12.3858 -12.3858 -11.1002 -11.1002 -10.3885 -10.3885 -8.5572 -8.5572 -1.8109 -1.8109 -1.6576 -1.6576 -0.5599 -0.5599 -0.2896 -0.2896 0.1976 0.1976 1.1358 1.1358 1.9088 1.9088 2.1522 2.1522 2.2693 2.2693 4.1520 4.1520 5.5063 5.5063 5.7051 5.7051 6.6236 6.6236 8.0626 8.0626 8.4099 8.4099 9.8618 9.8618 10.4863 10.4863 k =-0.2925 0.2909 0.0000 ( 6840 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1911 -38.1911 -37.9179 -37.9179 -37.9175 -37.9175 -37.8834 -37.8834 -37.8821 -37.8821 -12.3765 -12.3765 -11.0969 -11.0969 -10.3844 -10.3844 -8.5706 -8.5706 -1.8334 -1.8334 -1.6612 -1.6612 -0.5563 -0.5563 -0.3131 -0.3131 0.1915 0.1915 1.1353 1.1353 1.8990 1.8990 2.1409 2.1409 2.2312 2.2312 4.1798 4.1798 5.5395 5.5395 5.7113 5.7113 6.6552 6.6552 8.0579 8.0579 8.3661 8.3661 9.8903 9.8903 10.5259 10.5259 k =-0.3019 0.3003 0.0000 ( 6832 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1911 -38.1911 -37.9179 -37.9179 -37.9175 -37.9175 -37.8833 -37.8833 -37.8821 -37.8821 -12.3673 -12.3673 -11.0936 -11.0936 -10.3803 -10.3803 -8.5838 -8.5838 -1.8549 -1.8549 -1.6648 -1.6648 -0.5521 -0.5521 -0.3357 -0.3357 0.1860 0.1860 1.1347 1.1347 1.8896 1.8896 2.1270 2.1270 2.1945 2.1945 4.2064 4.2064 5.5728 5.5728 5.7171 5.7171 6.6819 6.6819 8.0467 8.0467 8.3188 8.3188 9.9258 9.9258 10.5767 10.5767 k =-0.3113 0.3097 0.0000 ( 6838 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1912 -38.1912 -37.9179 -37.9179 -37.9175 -37.9175 -37.8834 -37.8834 -37.8821 -37.8821 -12.3582 -12.3582 -11.0904 -11.0904 -10.3762 -10.3762 -8.5967 -8.5967 -1.8757 -1.8757 -1.6683 -1.6683 -0.5472 -0.5472 -0.3572 -0.3572 0.1813 0.1813 1.1340 1.1340 1.8806 1.8806 2.1092 2.1092 2.1608 2.1608 4.2318 4.2318 5.6057 5.6057 5.7225 5.7225 6.7041 6.7041 8.0299 8.0299 8.2688 8.2688 9.9678 9.9678 10.6377 10.6377 k =-0.3208 0.3191 0.0000 ( 6838 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1912 -38.1912 -37.9179 -37.9179 -37.9175 -37.9175 -37.8834 -37.8834 -37.8821 -37.8821 -12.3494 -12.3494 -11.0873 -11.0873 -10.3723 -10.3723 -8.6092 -8.6092 -1.8955 -1.8955 -1.6719 -1.6719 -0.5418 -0.5418 -0.3776 -0.3776 0.1774 0.1774 1.1330 1.1330 1.8720 1.8720 2.0853 2.0853 2.1327 2.1327 4.2559 4.2559 5.6383 5.6383 5.7275 5.7275 6.7219 6.7219 8.0085 8.0085 8.2168 8.2168 10.0154 10.0154 10.7077 10.7077 k =-0.3302 0.3284 0.0000 ( 6848 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1912 -38.1912 -37.9179 -37.9179 -37.9175 -37.9175 -37.8834 -37.8834 -37.8821 -37.8821 -12.3408 -12.3408 -11.0843 -11.0843 -10.3685 -10.3685 -8.6215 -8.6215 -1.9144 -1.9144 -1.6753 -1.6753 -0.5358 -0.5358 -0.3969 -0.3969 0.1741 0.1741 1.1317 1.1317 1.8638 1.8638 2.0556 2.0556 2.1104 2.1104 4.2788 4.2788 5.6703 5.6703 5.7321 5.7321 6.7358 6.7358 7.9835 7.9835 8.1636 8.1636 10.0675 10.0675 10.7855 10.7855 k =-0.3396 0.3378 0.0000 ( 6866 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1912 -38.1912 -37.9180 -37.9180 -37.9175 -37.9175 -37.8834 -37.8834 -37.8821 -37.8821 -12.3324 -12.3324 -11.0813 -11.0813 -10.3648 -10.3648 -8.6333 -8.6333 -1.9323 -1.9323 -1.6788 -1.6788 -0.5293 -0.5293 -0.4150 -0.4150 0.1716 0.1716 1.1299 1.1299 1.8560 1.8560 2.0228 2.0228 2.0914 2.0914 4.3004 4.3004 5.7015 5.7015 5.7363 5.7363 6.7461 6.7461 7.9557 7.9557 8.1098 8.1098 10.1229 10.1229 10.8698 10.8698 k =-0.3491 0.3472 0.0000 ( 6856 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1912 -38.1912 -37.9180 -37.9180 -37.9175 -37.9175 -37.8834 -37.8834 -37.8821 -37.8821 -12.3243 -12.3243 -11.0786 -11.0786 -10.3613 -10.3613 -8.6446 -8.6446 -1.9493 -1.9493 -1.6821 -1.6821 -0.5225 -0.5225 -0.4319 -0.4319 0.1698 0.1698 1.1276 1.1276 1.8485 1.8485 1.9897 1.9897 2.0736 2.0736 4.3209 4.3209 5.7315 5.7315 5.7406 5.7406 6.7534 6.7534 7.9261 7.9261 8.0561 8.0561 10.1804 10.1804 10.9595 10.9595 k =-0.3585 0.3566 0.0000 ( 6844 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1912 -38.1912 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.3165 -12.3165 -11.0759 -11.0759 -10.3578 -10.3578 -8.6555 -8.6555 -1.9653 -1.9653 -1.6853 -1.6853 -0.5155 -0.5155 -0.4474 -0.4474 0.1687 0.1687 1.1247 1.1247 1.8412 1.8412 1.9574 1.9574 2.0564 2.0564 4.3401 4.3401 5.7430 5.7430 5.7620 5.7620 6.7580 6.7580 7.8954 7.8954 8.0030 8.0030 10.2384 10.2384 11.0532 11.0532 k =-0.3679 0.3660 0.0000 ( 6848 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1912 -38.1912 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.3091 -12.3091 -11.0734 -11.0734 -10.3546 -10.3546 -8.6659 -8.6659 -1.9802 -1.9802 -1.6884 -1.6884 -0.5089 -0.5089 -0.4611 -0.4611 0.1681 0.1681 1.1210 1.1210 1.8340 1.8340 1.9269 1.9269 2.0393 2.0393 4.3581 4.3581 5.7463 5.7463 5.7902 5.7902 6.7603 6.7603 7.8642 7.8642 7.9511 7.9511 10.2956 10.2956 11.1499 11.1499 k =-0.3774 0.3754 0.0000 ( 6850 PWs) bands (ev): -71.2443 -71.2443 -71.2441 -71.2441 -38.1918 -38.1918 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8822 -37.8822 -12.3020 -12.3020 -11.0710 -11.0710 -10.3515 -10.3515 -8.6757 -8.6757 -1.9942 -1.9942 -1.6914 -1.6914 -0.5040 -0.5040 -0.4718 -0.4718 0.1681 0.1681 1.1167 1.1167 1.8264 1.8264 1.8988 1.8988 2.0225 2.0225 4.3749 4.3749 5.7491 5.7491 5.8172 5.8172 6.7609 6.7609 7.8333 7.8333 7.9009 7.9009 10.3507 10.3507 11.2483 11.2483 k =-0.3868 0.3847 0.0000 ( 6846 PWs) bands (ev): -71.2443 -71.2443 -71.2441 -71.2441 -38.1918 -38.1918 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2954 -12.2954 -11.0687 -11.0687 -10.3486 -10.3486 -8.6849 -8.6849 -2.0072 -2.0072 -1.6942 -1.6942 -0.5042 -0.5042 -0.4761 -0.4761 0.1686 0.1686 1.1118 1.1118 1.8178 1.8178 1.8740 1.8740 2.0060 2.0060 4.3905 4.3905 5.7516 5.7516 5.8429 5.8429 6.7600 6.7600 7.8030 7.8030 7.8528 7.8528 10.4024 10.4024 11.3473 11.3473 k =-0.3962 0.3941 0.0000 ( 6838 PWs) bands (ev): -71.2443 -71.2443 -71.2441 -71.2441 -38.1918 -38.1918 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8833 -37.8833 -37.8821 -37.8821 -12.2891 -12.2891 -11.0666 -11.0666 -10.3459 -10.3459 -8.6935 -8.6935 -2.0192 -2.0192 -1.6969 -1.6969 -0.5106 -0.5106 -0.4730 -0.4730 0.1695 0.1695 1.1061 1.1061 1.8072 1.8072 1.8539 1.8539 1.9900 1.9900 4.4048 4.4048 5.7539 5.7539 5.8671 5.8671 6.7581 6.7581 7.7738 7.7738 7.8072 7.8072 10.4499 10.4499 11.4457 11.4457 k =-0.4057 0.4035 0.0000 ( 6838 PWs) bands (ev): -71.2443 -71.2443 -71.2441 -71.2441 -38.1918 -38.1918 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8822 -37.8822 -12.2834 -12.2834 -11.0647 -11.0647 -10.3435 -10.3435 -8.7014 -8.7014 -2.0301 -2.0301 -1.6993 -1.6993 -0.5194 -0.5194 -0.4666 -0.4666 0.1707 0.1707 1.1000 1.1000 1.7937 1.7937 1.8394 1.8394 1.9746 1.9746 4.4180 4.4180 5.7558 5.7558 5.8896 5.8896 6.7555 6.7555 7.7460 7.7460 7.7647 7.7647 10.4924 10.4924 11.5423 11.5423 k =-0.4151 0.4129 0.0000 ( 6838 PWs) bands (ev): -71.2443 -71.2443 -71.2441 -71.2441 -38.1918 -38.1918 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2781 -12.2781 -11.0629 -11.0629 -10.3412 -10.3412 -8.7087 -8.7087 -2.0400 -2.0400 -1.7016 -1.7016 -0.5282 -0.5282 -0.4593 -0.4593 0.1722 0.1722 1.0934 1.0934 1.7781 1.7781 1.8298 1.8298 1.9601 1.9601 4.4299 4.4299 5.7576 5.7576 5.9103 5.9103 6.7523 6.7523 7.7189 7.7189 7.7264 7.7264 10.5296 10.5296 11.6358 11.6358 k =-0.4245 0.4223 0.0000 ( 6838 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1918 -38.1918 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2733 -12.2733 -11.0613 -11.0613 -10.3391 -10.3391 -8.7153 -8.7153 -2.0489 -2.0489 -1.7037 -1.7037 -0.5363 -0.5363 -0.4519 -0.4519 0.1738 0.1738 1.0866 1.0866 1.7624 1.7624 1.8231 1.8231 1.9465 1.9465 4.4406 4.4406 5.7590 5.7590 5.9292 5.9292 6.7489 6.7489 7.6872 7.6872 7.6983 7.6983 10.5613 10.5613 11.7250 11.7250 k =-0.4340 0.4317 0.0000 ( 6846 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2690 -12.2690 -11.0599 -11.0599 -10.3373 -10.3373 -8.7211 -8.7211 -2.0568 -2.0568 -1.7056 -1.7056 -0.5437 -0.5437 -0.4448 -0.4448 0.1754 0.1754 1.0797 1.0797 1.7478 1.7478 1.8182 1.8182 1.9341 1.9341 4.4501 4.4501 5.7603 5.7603 5.9461 5.9461 6.7455 6.7455 7.6553 7.6553 7.6764 7.6764 10.5878 10.5878 11.8085 11.8085 k =-0.4434 0.4410 0.0000 ( 6850 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2652 -12.2652 -11.0587 -11.0587 -10.3357 -10.3357 -8.7263 -8.7263 -2.0636 -2.0636 -1.7072 -1.7072 -0.5501 -0.5501 -0.4381 -0.4381 0.1771 0.1771 1.0731 1.0731 1.7349 1.7349 1.8144 1.8144 1.9231 1.9231 4.4584 4.4584 5.7614 5.7614 5.9609 5.9609 6.7422 6.7422 7.6269 7.6269 7.6575 7.6575 10.6094 10.6094 11.8849 11.8849 k =-0.4528 0.4504 0.0000 ( 6846 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2620 -12.2620 -11.0577 -11.0577 -10.3343 -10.3343 -8.7306 -8.7306 -2.0693 -2.0693 -1.7086 -1.7086 -0.5556 -0.5556 -0.4322 -0.4322 0.1787 0.1787 1.0670 1.0670 1.7239 1.7239 1.8113 1.8113 1.9135 1.9135 4.4654 4.4654 5.7623 5.7623 5.9736 5.9736 6.7392 6.7392 7.6025 7.6025 7.6412 7.6412 10.6265 10.6265 11.9528 11.9528 k =-0.4623 0.4598 0.0000 ( 6838 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2594 -12.2594 -11.0568 -11.0568 -10.3332 -10.3332 -8.7342 -8.7342 -2.0740 -2.0740 -1.7098 -1.7098 -0.5600 -0.5600 -0.4271 -0.4271 0.1801 0.1801 1.0615 1.0615 1.7150 1.7150 1.8090 1.8090 1.9055 1.9055 4.4712 4.4712 5.7631 5.7631 5.9841 5.9841 6.7366 6.7366 7.5823 7.5823 7.6278 7.6278 10.6397 10.6397 12.0108 12.0108 k =-0.4717 0.4692 0.0000 ( 6846 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2573 -12.2573 -11.0561 -11.0561 -10.3323 -10.3323 -8.7370 -8.7370 -2.0777 -2.0777 -1.7107 -1.7107 -0.5635 -0.5635 -0.4230 -0.4230 0.1812 0.1812 1.0570 1.0570 1.7080 1.7080 1.8071 1.8071 1.8991 1.8991 4.4756 4.4756 5.7636 5.7636 5.9924 5.9924 6.7345 6.7345 7.5664 7.5664 7.6172 7.6172 10.6494 10.6494 12.0576 12.0576 k =-0.4811 0.4786 0.0000 ( 6850 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9177 -37.9177 -37.8834 -37.8834 -37.8822 -37.8822 -12.2559 -12.2559 -11.0556 -11.0556 -10.3317 -10.3317 -8.7390 -8.7390 -2.0803 -2.0803 -1.7114 -1.7114 -0.5660 -0.5660 -0.4200 -0.4200 0.1821 0.1821 1.0537 1.0537 1.7031 1.7031 1.8059 1.8059 1.8945 1.8945 4.4788 4.4788 5.7640 5.7640 5.9983 5.9983 6.7330 6.7330 7.5551 7.5551 7.6096 7.6096 10.6560 10.6560 12.0919 12.0919 k =-0.4906 0.4880 0.0000 ( 6846 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8822 -37.8822 -12.2550 -12.2550 -11.0553 -11.0553 -10.3313 -10.3313 -8.7402 -8.7402 -2.0819 -2.0819 -1.7117 -1.7117 -0.5675 -0.5675 -0.4182 -0.4182 0.1826 0.1826 1.0516 1.0516 1.7002 1.7002 1.8051 1.8051 1.8918 1.8918 4.4808 4.4808 5.7642 5.7642 6.0018 6.0018 6.7320 6.7320 7.5482 7.5482 7.6051 7.6051 10.6599 10.6599 12.1129 12.1129 k =-0.5000 0.4974 0.0000 ( 6856 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9181 -37.9181 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2547 -12.2547 -11.0553 -11.0553 -10.3311 -10.3311 -8.7406 -8.7406 -2.0824 -2.0824 -1.7119 -1.7119 -0.5680 -0.5680 -0.4176 -0.4176 0.1828 0.1828 1.0509 1.0509 1.6992 1.6992 1.8048 1.8048 1.8908 1.8908 4.4814 4.4814 5.7643 5.7643 6.0030 6.0030 6.7317 6.7317 7.5459 7.5459 7.6035 7.6035 10.6612 10.6612 12.1200 12.1200 k =-0.5000 0.4974 0.0000 ( 6856 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9181 -37.9181 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2547 -12.2547 -11.0553 -11.0553 -10.3311 -10.3311 -8.7406 -8.7406 -2.0824 -2.0824 -1.7119 -1.7119 -0.5680 -0.5680 -0.4176 -0.4176 0.1828 0.1828 1.0509 1.0509 1.6992 1.6992 1.8048 1.8048 1.8908 1.8908 4.4814 4.4814 5.7643 5.7643 6.0030 6.0030 6.7317 6.7317 7.5459 7.5459 7.6035 7.6035 10.6612 10.6612 12.1200 12.1200 k =-0.4974 0.5000-0.0000 ( 6854 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9181 -37.9181 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2547 -12.2547 -11.0553 -11.0553 -10.3312 -10.3312 -8.7406 -8.7406 -2.0824 -2.0824 -1.7119 -1.7118 -0.5681 -0.5678 -0.4177 -0.4174 0.1827 0.1828 1.0508 1.0511 1.6972 1.7011 1.8044 1.8053 1.8896 1.8926 4.4812 4.4816 5.7641 5.7645 6.0028 6.0029 6.7316 6.7319 7.5460 7.5460 7.6036 7.6036 10.6609 10.6612 12.1195 12.1197 k =-0.4974 0.5000-0.0000 ( 6854 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9181 -37.9181 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2547 -12.2547 -11.0553 -11.0553 -10.3312 -10.3312 -8.7406 -8.7406 -2.0824 -2.0824 -1.7119 -1.7118 -0.5681 -0.5678 -0.4177 -0.4174 0.1827 0.1828 1.0508 1.0511 1.6972 1.7011 1.8044 1.8053 1.8896 1.8926 4.4812 4.4816 5.7641 5.7645 6.0028 6.0029 6.7316 6.7319 7.5460 7.5460 7.6036 7.6036 10.6609 10.6612 12.1195 12.1197 k =-0.4974 0.5000 0.0132 ( 6848 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9176 -37.9176 -37.8834 -37.8834 -37.8822 -37.8822 -12.2539 -12.2538 -11.0600 -11.0600 -10.3259 -10.3259 -8.7420 -8.7419 -2.0820 -2.0819 -1.7133 -1.7126 -0.5715 -0.5685 -0.4170 -0.4161 0.1844 0.1884 1.0427 1.0477 1.6773 1.7007 1.8092 1.8346 1.8882 1.8934 4.4779 4.4794 5.7605 5.7620 6.0012 6.0017 6.7347 6.7353 7.4903 7.4950 7.6600 7.6635 10.6589 10.6595 12.1182 12.1188 k =-0.4974 0.5000 0.0265 ( 6852 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9177 -37.9176 -37.8834 -37.8834 -37.8822 -37.8822 -12.2513 -12.2513 -11.0739 -11.0738 -10.3106 -10.3105 -8.7460 -8.7460 -2.0806 -2.0804 -1.7170 -1.7156 -0.5789 -0.5730 -0.4145 -0.4128 0.1932 0.2011 1.0239 1.0334 1.6530 1.6839 1.8390 1.8777 1.8882 1.9001 4.4692 4.4719 5.7509 5.7537 5.9967 5.9978 6.7441 6.7451 7.4204 7.4258 7.7438 7.7468 10.6534 10.6544 12.1146 12.1158 k =-0.4974 0.5000 0.0397 ( 6852 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9177 -37.9176 -37.8834 -37.8834 -37.8822 -37.8822 -12.2470 -12.2470 -11.0958 -11.0957 -10.2863 -10.2862 -8.7528 -8.7527 -2.0783 -2.0781 -1.7227 -1.7206 -0.5897 -0.5810 -0.4104 -0.4078 0.2087 0.2202 0.9963 1.0096 1.6328 1.6651 1.8565 1.8762 1.9314 1.9404 4.4550 4.4590 5.7359 5.7401 5.9894 5.9912 6.7592 6.7607 7.3546 7.3605 7.8330 7.8353 10.6442 10.6457 12.1090 12.1107 k =-0.4974 0.5000 0.0529 ( 6855 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9177 -37.9177 -37.8834 -37.8834 -37.8822 -37.8822 -12.2411 -12.2410 -11.1242 -11.1241 -10.2545 -10.2543 -8.7622 -8.7621 -2.0752 -2.0749 -1.7302 -1.7276 -0.6030 -0.5919 -0.4050 -0.4016 0.2301 0.2448 0.9623 0.9786 1.6177 1.6493 1.8544 1.8673 1.9886 2.0038 4.4354 4.4405 5.7166 5.7221 5.9794 5.9818 6.7792 6.7812 7.2945 7.3007 7.9258 7.9273 10.6313 10.6333 12.1016 12.1039 k =-0.4974 0.5000 0.0661 ( 6850 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9177 -37.9176 -37.8834 -37.8834 -37.8822 -37.8822 -12.2334 -12.2334 -11.1578 -11.1576 -10.2166 -10.2163 -8.7742 -8.7741 -2.0713 -2.0708 -1.7395 -1.7363 -0.6180 -0.6049 -0.3990 -0.3946 0.2567 0.2742 0.9244 0.9431 1.6071 1.6372 1.8451 1.8558 2.0557 2.0723 4.4104 4.4166 5.6940 5.7007 5.9668 5.9699 6.8030 6.8054 7.2406 7.2470 8.0214 8.0222 10.6147 10.6172 12.0927 12.0958 k =-0.4974 0.5000 0.0794 ( 6845 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1919 -38.1918 -38.1913 -38.1913 -37.9180 -37.9180 -37.9177 -37.9176 -37.8834 -37.8833 -37.8822 -37.8822 -12.2241 -12.2240 -11.1951 -11.1949 -10.1739 -10.1737 -8.7889 -8.7888 -2.0666 -2.0660 -1.7502 -1.7465 -0.6340 -0.6191 -0.3929 -0.3876 0.2874 0.3073 0.8848 0.9056 1.5999 1.6280 1.8322 1.8422 2.1278 2.1445 4.3801 4.3871 5.6691 5.6771 5.9517 5.9555 6.8295 6.8324 7.1932 7.1997 8.1192 8.1193 10.5942 10.5972 12.0827 12.0865 k =-0.4974 0.5000 0.0926 ( 6838 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1919 -38.1918 -38.1913 -38.1913 -37.9180 -37.9180 -37.9177 -37.9176 -37.8834 -37.8833 -37.8822 -37.8822 -12.2130 -12.2130 -11.2351 -11.2349 -10.1277 -10.1274 -8.8062 -8.8060 -2.0612 -2.0605 -1.7620 -1.7578 -0.6500 -0.6337 -0.3876 -0.3812 0.3213 0.3433 0.8455 0.8682 1.5953 1.6213 1.8169 1.8265 2.2031 2.2193 4.3446 4.3523 5.6432 5.6524 5.9343 5.9388 6.8578 6.8611 7.1524 7.1589 8.2181 8.2188 10.5697 10.5732 12.0720 12.0766 k =-0.4974 0.5000 0.1058 ( 6836 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1919 -38.1918 -38.1913 -38.1913 -37.9180 -37.9180 -37.9177 -37.9176 -37.8834 -37.8833 -37.8822 -37.8822 -12.2003 -12.2002 -11.2770 -11.2769 -10.0787 -10.0784 -8.8260 -8.8258 -2.0552 -2.0544 -1.7746 -1.7701 -0.6653 -0.6479 -0.3839 -0.3762 0.3575 0.3813 0.8083 0.8327 1.5925 1.6164 1.7996 1.8092 2.2804 2.2960 4.3039 4.3121 5.6171 5.6275 5.9146 5.9199 6.8868 6.8905 7.1183 7.1246 8.3183 8.3198 10.5411 10.5451 12.0608 12.0662 k =-0.4974 0.5000 0.1190 ( 6838 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1918 -38.1918 -38.1913 -38.1913 -37.9180 -37.9180 -37.9177 -37.9176 -37.8833 -37.8833 -37.8823 -37.8822 -12.1859 -12.1859 -11.3202 -11.3200 -10.0276 -10.0273 -8.8483 -8.8481 -2.0486 -2.0477 -1.7879 -1.7831 -0.6795 -0.6612 -0.3825 -0.3735 0.3951 0.4205 0.7745 0.8006 1.5907 1.6126 1.7808 1.7904 2.3591 2.3740 4.2584 4.2669 5.5918 5.6032 5.8929 5.8990 6.9157 6.9198 7.0905 7.0966 8.4195 8.4217 10.5082 10.5126 12.0493 12.0556 k =-0.4974 0.5000 0.1323 ( 6848 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1918 -38.1918 -38.1914 -38.1913 -37.9180 -37.9180 -37.9177 -37.9177 -37.8833 -37.8832 -37.8824 -37.8823 -12.1699 -12.1698 -11.3640 -11.3638 -9.9750 -9.9747 -8.8731 -8.8729 -2.0416 -2.0405 -1.8016 -1.7965 -0.6919 -0.6730 -0.3841 -0.3738 0.4334 0.4602 0.7452 0.7730 1.5896 1.6095 1.7608 1.7705 2.4387 2.4528 4.2083 4.2169 5.5681 5.5805 5.8694 5.8764 6.9439 6.9482 7.0690 7.0748 8.5212 8.5241 10.4710 10.4758 12.0374 12.0448 k =-0.4974 0.5000 0.1455 ( 6860 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1918 -38.1918 -38.1914 -38.1914 -37.9180 -37.9180 -37.9177 -37.9177 -37.8833 -37.8832 -37.8824 -37.8823 -12.1522 -12.1521 -11.4082 -11.4080 -9.9214 -9.9211 -8.9003 -8.9000 -2.0343 -2.0330 -1.8154 -1.8101 -0.7022 -0.6827 -0.3893 -0.3776 0.4716 0.4997 0.7213 0.7507 1.5888 1.6068 1.7402 1.7499 2.5187 2.5319 4.1539 4.1624 5.5466 5.5600 5.8443 5.8521 6.9705 6.9750 7.0533 7.0586 8.6232 8.6267 10.4292 10.4345 12.0239 12.0328 k =-0.4974 0.5000 0.1587 ( 6858 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1918 -38.1917 -38.1914 -38.1914 -37.9180 -37.9179 -37.9177 -37.9177 -37.8832 -37.8831 -37.8825 -37.8824 -12.1329 -12.1328 -11.4523 -11.4521 -9.8670 -9.8667 -8.9298 -8.9295 -2.0267 -2.0251 -1.8291 -1.8238 -0.7099 -0.6901 -0.3983 -0.3853 0.5090 0.5383 0.7031 0.7340 1.5879 1.6042 1.7192 1.7290 2.5988 2.6113 4.0956 4.1039 5.5279 5.5422 5.8178 5.8265 6.9951 6.9998 7.0429 7.0477 8.7251 8.7293 10.3829 10.3886 12.0020 12.0071 k =-0.4974 0.5000 0.1719 ( 6861 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1918 -38.1917 -38.1915 -38.1914 -37.9180 -37.9179 -37.9178 -37.9177 -37.8832 -37.8831 -37.8825 -37.8824 -12.1120 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0.4974 0.2116 ( 6866 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1917 -38.1917 -38.1915 -38.1915 -37.9179 -37.9179 -37.9178 -37.9177 -37.8831 -37.8830 -37.8826 -37.8825 -12.0398 -12.0397 -11.6244 -11.6242 -9.6480 -9.6477 -9.0698 -9.0694 -1.9948 -1.9921 -1.8810 -1.8756 -0.7111 -0.6908 -0.4702 -0.4532 0.6370 0.6706 0.6832 0.7182 1.5817 1.5914 1.6418 1.6494 2.9180 2.9265 3.8324 3.8380 5.4893 5.5060 5.7040 5.7163 7.0412 7.0433 7.0671 7.0713 9.1270 9.1333 10.1523 10.1595 11.9136 11.9163 k =-0.5000 0.4974 0.1984 ( 6858 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1918 -38.1917 -38.1915 -38.1914 -37.9179 -37.9179 -37.9178 -37.9177 -37.8832 -37.8830 -37.8826 -37.8825 -12.0655 -12.0653 -11.5824 -11.5822 -9.7026 -9.7022 -9.0316 -9.0313 -2.0029 -2.0005 -1.8687 -1.8632 -0.7156 -0.6953 -0.4477 -0.4315 0.6095 0.6421 0.6813 0.7157 1.5838 1.5949 1.6593 1.6676 2.8386 2.8482 3.9019 3.9083 5.4931 5.5093 5.7331 5.7445 7.0368 7.0394 7.0539 7.0582 9.0279 9.0337 10.2167 10.2235 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7.0531 7.0584 8.6232 8.6267 10.4293 10.4346 12.0242 12.0331 k =-0.5000 0.4974 0.1323 ( 6846 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1918 -38.1918 -38.1914 -38.1913 -37.9180 -37.9180 -37.9177 -37.9177 -37.8833 -37.8832 -37.8824 -37.8823 -12.1699 -12.1698 -11.3640 -11.3638 -9.9750 -9.9747 -8.8731 -8.8729 -2.0417 -2.0405 -1.8016 -1.7965 -0.6919 -0.6730 -0.3841 -0.3738 0.4334 0.4602 0.7452 0.7730 1.5897 1.6094 1.7608 1.7702 2.4387 2.4528 4.2083 4.2169 5.5681 5.5805 5.8695 5.8765 6.9439 6.9482 7.0688 7.0746 8.5212 8.5241 10.4711 10.4759 12.0377 12.0451 k =-0.5000 0.4974 0.1190 ( 6840 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1918 -38.1918 -38.1914 -38.1913 -37.9180 -37.9180 -37.9177 -37.9177 -37.8833 -37.8833 -37.8823 -37.8822 -12.1859 -12.1858 -11.3202 -11.3200 -10.0276 -10.0273 -8.8484 -8.8481 -2.0486 -2.0477 -1.7879 -1.7831 -0.6795 -0.6612 -0.3825 -0.3735 0.3951 0.4205 0.7745 0.8006 1.5907 1.6125 1.7808 1.7902 2.3591 2.3740 4.2584 4.2669 5.5918 5.6032 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4.3446 4.3523 5.6432 5.6524 5.9344 5.9389 6.8578 6.8611 7.1523 7.1587 8.2181 8.2188 10.5699 10.5733 12.0723 12.0769 k =-0.5000 0.4974 0.0794 ( 6848 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1919 -38.1918 -38.1913 -38.1913 -37.9180 -37.9180 -37.9177 -37.9176 -37.8834 -37.8833 -37.8822 -37.8822 -12.2240 -12.2240 -11.1951 -11.1949 -10.1739 -10.1737 -8.7889 -8.7888 -2.0666 -2.0661 -1.7502 -1.7465 -0.6340 -0.6191 -0.3929 -0.3876 0.2874 0.3073 0.8848 0.9056 1.5999 1.6280 1.8322 1.8420 2.1278 2.1444 4.3801 4.3872 5.6691 5.6771 5.9519 5.9556 6.8295 6.8324 7.1930 7.1995 8.1192 8.1192 10.5943 10.5973 12.0831 12.0869 k =-0.5000 0.4974 0.0661 ( 6852 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9177 -37.9176 -37.8834 -37.8834 -37.8822 -37.8822 -12.2334 -12.2333 -11.1578 -11.1576 -10.2165 -10.2163 -8.7743 -8.7741 -2.0713 -2.0709 -1.7395 -1.7363 -0.6181 -0.6050 -0.3990 -0.3946 0.2567 0.2742 0.9244 0.9431 1.6070 1.6371 1.8451 1.8557 2.0556 2.0723 4.4105 4.4166 5.6940 5.7007 5.9670 5.9700 6.8029 6.8054 7.2405 7.2468 8.0213 8.0221 10.6149 10.6173 12.0930 12.0961 k =-0.5000 0.4974 0.0529 ( 6854 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9177 -37.9176 -37.8834 -37.8834 -37.8822 -37.8822 -12.2410 -12.2410 -11.1242 -11.1241 -10.2544 -10.2543 -8.7622 -8.7621 -2.0752 -2.0749 -1.7302 -1.7276 -0.6031 -0.5920 -0.4051 -0.4016 0.2302 0.2449 0.9623 0.9786 1.6177 1.6493 1.8544 1.8672 1.9885 2.0037 4.4354 4.4406 5.7166 5.7221 5.9796 5.9820 6.7791 6.7811 7.2944 7.3005 7.9257 7.9273 10.6315 10.6335 12.1019 12.1042 k =-0.5000 0.4974 0.0397 ( 6856 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9180 -37.9180 -37.9177 -37.9177 -37.8834 -37.8834 -37.8822 -37.8822 -12.2470 -12.2470 -11.0958 -11.0957 -10.2863 -10.2861 -8.7528 -8.7527 -2.0784 -2.0781 -1.7227 -1.7206 -0.5897 -0.5811 -0.4104 -0.4078 0.2087 0.2202 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-0.4170 -0.4161 0.1844 0.1885 1.0427 1.0477 1.6775 1.7007 1.8092 1.8346 1.8885 1.8926 4.4780 4.4794 5.7605 5.7619 6.0013 6.0019 6.7347 6.7352 7.4902 7.4948 7.6599 7.6634 10.6591 10.6596 12.1186 12.1191 k =-0.5000 0.4974 0.0000 ( 6856 PWs) bands (ev): -71.2443 -71.2443 -71.2442 -71.2442 -38.1919 -38.1919 -38.1913 -38.1913 -37.9181 -37.9181 -37.9176 -37.9176 -37.8834 -37.8834 -37.8821 -37.8821 -12.2547 -12.2547 -11.0553 -11.0553 -10.3311 -10.3311 -8.7406 -8.7406 -2.0824 -2.0824 -1.7119 -1.7119 -0.5680 -0.5680 -0.4176 -0.4176 0.1828 0.1828 1.0509 1.0509 1.6992 1.6992 1.8048 1.8048 1.8908 1.8908 4.4814 4.4814 5.7643 5.7643 6.0030 6.0030 6.7317 6.7317 7.5459 7.5459 7.6035 7.6035 10.6612 10.6612 12.1200 12.1200 k = 0.0000 0.0000 0.2910 ( 6830 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1912 -38.1912 -37.9174 -37.9174 -37.9174 -37.9174 -37.8826 -37.8826 -37.8825 -37.8825 -12.1301 -12.1301 -12.1300 -12.1300 -9.1463 -9.1463 -9.1461 -9.1461 -1.3574 -1.3574 -1.3405 -1.3405 -0.2451 -0.2451 -0.2375 -0.2375 1.0586 1.0586 1.0947 1.0947 1.9368 1.9368 1.9741 1.9741 3.3330 3.3330 3.3634 3.3634 4.5377 4.5377 4.5613 4.5613 6.7033 6.7033 6.7094 6.7094 9.1676 9.1676 9.1692 9.1692 11.0577 11.0577 k =-0.0094 0.0094 0.2910 ( 6822 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1912 -38.1912 -38.1912 -37.9174 -37.9174 -37.9174 -37.9174 -37.8826 -37.8826 -37.8825 -37.8825 -12.1299 -12.1298 -12.1298 -12.1298 -9.1464 -9.1464 -9.1463 -9.1463 -1.3591 -1.3578 -1.3424 -1.3410 -0.2457 -0.2446 -0.2380 -0.2371 1.0574 1.0589 1.0940 1.0948 1.9362 1.9365 1.9721 1.9752 3.3313 3.3347 3.3633 3.3634 4.5390 4.5412 4.5627 4.5648 6.7032 6.7045 6.7097 6.7102 9.1685 9.1692 9.1704 9.1706 11.0584 11.0589 k =-0.0189 0.0188 0.2910 ( 6818 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1912 -38.1912 -38.1912 -37.9174 -37.9174 -37.9174 -37.9174 -37.8826 -37.8826 -37.8825 -37.8825 -12.1292 -12.1291 -12.1291 -12.1291 -9.1469 -9.1469 -9.1467 -9.1467 -1.3630 -1.3604 -1.3463 -1.3436 -0.2465 -0.2442 -0.2384 -0.2367 1.0555 1.0586 1.0927 1.0942 1.9349 1.9355 1.9692 1.9754 3.3298 3.3364 3.3633 3.3634 4.5452 4.5496 4.5689 4.5730 6.7041 6.7069 6.7110 6.7121 9.1720 9.1733 9.1741 9.1744 11.0608 11.0619 k =-0.0283 0.0282 0.2910 ( 6818 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1912 -38.1912 -38.1912 -37.9174 -37.9174 -37.9174 -37.9174 -37.8826 -37.8826 -37.8825 -37.8825 -12.1280 -12.1280 -12.1279 -12.1279 -9.1477 -9.1476 -9.1475 -9.1475 -1.3689 -1.3650 -1.3525 -1.3483 -0.2475 -0.2441 -0.2390 -0.2365 1.0528 1.0575 1.0908 1.0930 1.9328 1.9338 1.9653 1.9746 3.3283 3.3381 3.3634 3.3634 4.5562 4.5627 4.5799 4.5859 6.7062 6.7103 6.7133 6.7150 9.1779 9.1799 9.1802 9.1807 11.0649 11.0664 k =-0.0377 0.0375 0.2910 ( 6826 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1912 -38.1912 -38.1912 -37.9175 -37.9174 -37.9174 -37.9174 -37.8826 -37.8826 -37.8825 -37.8825 -12.1264 -12.1263 -12.1263 -12.1263 -9.1487 -9.1487 -9.1485 -9.1485 -1.3768 -1.3717 -1.3606 -1.3552 -0.2487 -0.2443 -0.2396 -0.2364 1.0495 1.0558 1.0882 1.0912 1.9300 1.9312 1.9605 1.9728 3.3269 3.3399 3.3634 3.3635 4.5719 4.5804 4.5956 4.6034 6.7093 6.7147 6.7167 6.7189 9.1862 9.1886 9.1888 9.1894 11.0705 11.0725 k =-0.0472 0.0469 0.2910 ( 6826 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1912 -38.1912 -38.1912 -37.9175 -37.9174 -37.9174 -37.9174 -37.8826 -37.8826 -37.8825 -37.8825 -12.1244 -12.1243 -12.1242 -12.1242 -9.1501 -9.1500 -9.1499 -9.1499 -1.3865 -1.3803 -1.3707 -1.3641 -0.2502 -0.2448 -0.2404 -0.2367 1.0455 1.0536 1.0852 1.0889 1.9265 1.9278 1.9549 1.9701 3.3258 3.3416 3.3634 3.3637 4.5923 4.6026 4.6159 4.6254 6.7135 6.7202 6.7211 6.7239 9.1968 9.1993 9.1999 9.2003 11.0773 11.0796 k =-0.0566 0.0563 0.2910 ( 6828 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1912 -38.1912 -38.1912 -37.9175 -37.9174 -37.9174 -37.9174 -37.8826 -37.8826 -37.8825 -37.8825 -12.1219 -12.1217 -12.1217 -12.1217 -9.1517 -9.1517 -9.1516 -9.1515 -1.3980 -1.3907 -1.3825 -1.3748 -0.2521 -0.2457 -0.2414 -0.2374 1.0409 1.0509 1.0818 1.0862 1.9221 1.9236 1.9484 1.9665 3.3249 3.3433 3.3634 3.3641 4.6170 4.6290 4.6405 4.6515 6.7187 6.7265 6.7268 6.7298 9.2095 9.2121 9.2132 9.2133 11.0849 11.0875 k =-0.0660 0.0657 0.2910 ( 6836 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1912 -38.1912 -38.1912 -37.9175 -37.9174 -37.9174 -37.9174 -37.8827 -37.8827 -37.8825 -37.8825 -12.1189 -12.1188 -12.1188 -12.1188 -9.1537 -9.1536 -9.1535 -9.1535 -1.4111 -1.4028 -1.3959 -1.3872 -0.2545 -0.2473 -0.2429 -0.2386 1.0358 1.0478 1.0779 1.0831 1.9171 1.9186 1.9410 1.9618 3.3242 3.3451 3.3635 3.3646 4.6459 4.6594 4.6693 4.6817 6.7249 6.7328 6.7342 6.7366 9.2241 9.2267 9.2282 9.2283 11.0927 11.0953 k =-0.0755 0.0751 0.2910 ( 6836 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1912 -38.1912 -37.9175 -37.9174 -37.9174 -37.9174 -37.8827 -37.8827 -37.8825 -37.8825 -12.1156 -12.1154 -12.1154 -12.1154 -9.1559 -9.1559 -9.1557 -9.1557 -1.4256 -1.4164 -1.4108 -1.4012 -0.2574 -0.2494 -0.2448 -0.2405 1.0304 1.0445 1.0738 1.0797 1.9112 1.9128 1.9328 1.9563 3.3239 3.3470 3.3636 3.3653 4.6787 4.6936 4.7019 4.7155 6.7321 6.7401 6.7426 6.7444 9.2403 9.2430 9.2447 9.2451 11.0999 11.1025 k =-0.0849 0.0845 0.2910 ( 6840 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1913 -38.1912 -37.9175 -37.9174 -37.9174 -37.9174 -37.8827 -37.8827 -37.8825 -37.8825 -12.1118 -12.1116 -12.1116 -12.1116 -9.1584 -9.1584 -9.1582 -9.1582 -1.4414 -1.4313 -1.4270 -1.4166 -0.2610 -0.2524 -0.2473 -0.2431 1.0247 1.0409 1.0695 1.0761 1.9047 1.9062 1.9238 1.9498 3.3239 3.3489 3.3639 3.3663 4.7151 4.7312 4.7382 4.7528 6.7401 6.7481 6.7519 6.7529 9.2581 9.2606 9.2626 9.2633 11.1054 11.1076 k =-0.0943 0.0938 0.2910 ( 6840 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1913 -38.1912 -37.9175 -37.9175 -37.9174 -37.9174 -37.8827 -37.8827 -37.8826 -37.8826 -12.1076 -12.1074 -12.1074 -12.1074 -9.1612 -9.1611 -9.1610 -9.1610 -1.4583 -1.4474 -1.4442 -1.4332 -0.2653 -0.2561 -0.2505 -0.2466 1.0187 1.0372 1.0650 1.0724 1.8974 1.8989 1.9140 1.9425 3.3243 3.3509 3.3643 3.3676 4.7549 4.7720 4.7778 4.7932 6.7490 6.7570 6.7619 6.7623 9.2768 9.2792 9.2816 9.2824 11.1078 11.1094 k =-0.1038 0.1032 0.2910 ( 6846 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1913 -38.1913 -38.1913 -38.1912 -37.9175 -37.9175 -37.9174 -37.9174 -37.8827 -37.8827 -37.8826 -37.8826 -12.1030 -12.1028 -12.1028 -12.1028 -9.1643 -9.1642 -9.1640 -9.1640 -1.4761 -1.4645 -1.4624 -1.4508 -0.2705 -0.2607 -0.2545 -0.2510 1.0126 1.0335 1.0604 1.0685 1.8895 1.8908 1.9035 1.9343 3.3251 3.3531 3.3648 3.3691 4.7975 4.8154 4.8203 4.8364 6.7587 6.7667 6.7724 6.7726 9.2963 9.2984 9.3012 9.3022 11.1055 11.1062 k =-0.1132 0.1126 0.2910 ( 6848 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1914 -38.1913 -38.1913 -38.1912 -37.9175 -37.9175 -37.9174 -37.9174 -37.8827 -37.8827 -37.8826 -37.8826 -12.0980 -12.0978 -12.0978 -12.0978 -9.1676 -9.1675 -9.1673 -9.1673 -1.4946 -1.4824 -1.4813 -1.4692 -0.2764 -0.2663 -0.2592 -0.2564 1.0064 1.0297 1.0557 1.0645 1.8809 1.8819 1.8924 1.9253 3.3264 3.3555 3.3657 3.3710 4.8427 4.8613 4.8653 4.8819 6.7690 6.7770 6.7831 6.7840 9.3161 9.3178 9.3210 9.3223 11.0964 11.0969 k =-0.1226 0.1220 0.2910 ( 6844 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1914 -38.1913 -38.1913 -38.1912 -37.9175 -37.9175 -37.9174 -37.9174 -37.8827 -37.8827 -37.8826 -37.8826 -12.0927 -12.0925 -12.0925 -12.0924 -9.1711 -9.1710 -9.1709 -9.1709 -1.5138 -1.5010 -1.5008 -1.4883 -0.2832 -0.2728 -0.2649 -0.2628 1.0002 1.0258 1.0510 1.0605 1.8716 1.8725 1.8806 1.9156 3.3281 3.3581 3.3667 3.3732 4.8901 4.9092 4.9125 4.9294 6.7801 6.7879 6.7943 6.7959 9.3357 9.3369 9.3406 9.3421 11.0791 11.0805 k =-0.1321 0.1314 0.2910 ( 6844 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1914 -38.1913 -38.1913 -38.1912 -37.9176 -37.9175 -37.9175 -37.9174 -37.8827 -37.8827 -37.8826 -37.8826 -12.0871 -12.0868 -12.0868 -12.0867 -9.1749 -9.1748 -9.1746 -9.1746 -1.5333 -1.5208 -1.5201 -1.5080 -0.2909 -0.2802 -0.2714 -0.2701 0.9940 1.0219 1.0462 1.0564 1.8618 1.8625 1.8684 1.9052 3.3302 3.3609 3.3681 3.3757 4.9392 4.9586 4.9614 4.9785 6.7917 6.7993 6.8060 6.8083 9.3546 9.3552 9.3595 9.3611 11.0547 11.0555 k =-0.1415 0.1408 0.2910 ( 6844 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1914 -38.1913 -38.1913 -38.1912 -37.9176 -37.9175 -37.9175 -37.9174 -37.8827 -37.8827 -37.8826 -37.8826 -12.0811 -12.0808 -12.0808 -12.0807 -9.1789 -9.1788 -9.1787 -9.1787 -1.5532 -1.5410 -1.5396 -1.5280 -0.2994 -0.2885 -0.2788 -0.2784 0.9877 1.0180 1.0413 1.0522 1.8515 1.8519 1.8556 1.8942 3.3329 3.3640 3.3697 3.3785 4.9896 5.0091 5.0115 5.0287 6.8037 6.8111 6.8181 6.8210 9.3722 9.3723 9.3770 9.3788 11.0251 11.0252 k =-0.1509 0.1501 0.2910 ( 6840 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1914 -38.1913 -38.1913 -38.1912 -37.9176 -37.9175 -37.9175 -37.9174 -37.8827 -37.8827 -37.8826 -37.8826 -12.0748 -12.0745 -12.0745 -12.0744 -9.1831 -9.1830 -9.1829 -9.1829 -1.5732 -1.5613 -1.5593 -1.5482 -0.3088 -0.2977 -0.2875 -0.2871 0.9814 1.0139 1.0363 1.0478 1.8407 1.8409 1.8425 1.8826 3.3359 3.3673 3.3717 3.3817 5.0407 5.0602 5.0625 5.0796 6.8161 6.8233 6.8305 6.8339 9.3874 9.3883 9.3929 9.3948 10.9926 10.9934 k =-0.1604 0.1595 0.2910 ( 6836 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1914 -38.1913 -38.1913 -38.1912 -37.9176 -37.9175 -37.9175 -37.9174 -37.8827 -37.8827 -37.8826 -37.8826 -12.0682 -12.0679 -12.0679 -12.0678 -9.1876 -9.1875 -9.1873 -9.1873 -1.5933 -1.5817 -1.5791 -1.5685 -0.3189 -0.3077 -0.2976 -0.2962 0.9751 1.0097 1.0311 1.0433 1.8291 1.8295 1.8295 1.8706 3.3394 3.3708 3.3740 3.3851 5.0923 5.1116 5.1137 5.1307 6.8288 6.8357 6.8430 6.8469 9.4004 9.4022 9.4066 9.4087 10.9610 10.9627 k =-0.1698 0.1689 0.2910 ( 6840 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1914 -38.1913 -38.1913 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-71.2442 -38.1915 -38.1914 -38.1913 -38.1913 -37.9177 -37.9176 -37.9175 -37.9175 -37.8827 -37.8827 -37.8826 -37.8826 -12.0317 -12.0314 -12.0314 -12.0313 -9.2123 -9.2122 -9.2120 -9.2120 -1.6905 -1.6803 -1.6757 -1.6674 -0.3779 -0.3669 -0.3572 -0.3514 0.9414 0.9838 1.0012 1.0162 1.7607 1.7697 1.7703 1.8063 3.3621 3.3894 3.3916 3.4056 5.3383 5.3543 5.3578 5.3726 6.8922 6.8972 6.9036 6.9088 9.4324 9.4382 9.4415 9.4444 10.8967 10.8971 k =-0.2170 0.2158 0.2910 ( 6844 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1914 -38.1913 -38.1913 -37.9177 -37.9176 -37.9175 -37.9175 -37.8827 -37.8827 -37.8826 -37.8826 -12.0239 -12.0235 -12.0235 -12.0234 -9.2176 -9.2175 -9.2173 -9.2173 -1.7088 -1.6988 -1.6939 -1.6861 -0.3909 -0.3799 -0.3704 -0.3638 0.9340 0.9772 0.9941 1.0094 1.7474 1.7578 1.7583 1.7933 3.3673 3.3930 3.3960 3.4100 5.3819 5.3968 5.4008 5.4150 6.9041 6.9088 6.9147 6.9198 9.4352 9.4415 9.4446 9.4477 10.9083 10.9089 k =-0.2264 0.2252 0.2910 ( 6838 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1914 -38.1913 -38.1913 -37.9177 -37.9176 -37.9175 -37.9175 -37.8827 -37.8827 -37.8826 -37.8826 -12.0159 -12.0156 -12.0156 -12.0155 -9.2231 -9.2229 -9.2228 -9.2227 -1.7264 -1.7167 -1.7116 -1.7042 -0.4039 -0.3932 -0.3837 -0.3764 0.9263 0.9702 0.9866 1.0021 1.7344 1.7460 1.7465 1.7803 3.3725 3.3967 3.4005 3.4143 5.4226 5.4362 5.4410 5.4544 6.9157 6.9200 6.9253 6.9301 9.4387 9.4453 9.4482 9.4516 10.9276 10.9291 k =-0.2358 0.2346 0.2910 ( 6832 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1914 -38.1913 -38.1913 -37.9177 -37.9176 -37.9176 -37.9175 -37.8827 -37.8827 -37.8826 -37.8826 -12.0079 -12.0076 -12.0075 -12.0074 -9.2286 -9.2285 -9.2283 -9.2282 -1.7435 -1.7339 -1.7287 -1.7217 -0.4171 -0.4064 -0.3970 -0.3892 0.9182 0.9625 0.9786 0.9943 1.7217 1.7344 1.7348 1.7675 3.3778 3.4004 3.4048 3.4185 5.4601 5.4724 5.4778 5.4905 6.9268 6.9307 6.9352 6.9398 9.4436 9.4503 9.4531 9.4570 10.9540 10.9564 k =-0.2453 0.2440 0.2910 ( 6832 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1914 -38.1914 -38.1913 -37.9177 -37.9177 -37.9176 -37.9175 -37.8827 -37.8827 -37.8826 -37.8826 -11.9998 -11.9995 -11.9994 -11.9993 -9.2342 -9.2340 -9.2339 -9.2338 -1.7598 -1.7505 -1.7453 -1.7386 -0.4302 -0.4197 -0.4104 -0.4020 0.9098 0.9543 0.9700 0.9859 1.7094 1.7231 1.7234 1.7549 3.3829 3.4040 3.4091 3.4225 5.4942 5.5050 5.5112 5.5230 6.9373 6.9409 6.9447 6.9488 9.4507 9.4575 9.4601 9.4645 10.9865 10.9898 k =-0.2547 0.2534 0.2910 ( 6838 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1914 -38.1914 -38.1913 -37.9177 -37.9177 -37.9176 -37.9175 -37.8828 -37.8828 -37.8826 -37.8826 -11.9917 -11.9913 -11.9913 -11.9912 -9.2398 -9.2396 -9.2395 -9.2394 -1.7755 -1.7664 -1.7611 -1.7548 -0.4432 -0.4329 -0.4236 -0.4148 0.9011 0.9455 0.9611 0.9770 1.6977 1.7122 1.7122 1.7427 3.3879 3.4074 3.4131 3.4263 5.5245 5.5337 5.5407 5.5517 6.9474 6.9506 6.9536 6.9571 9.4606 9.4673 9.4698 9.4748 11.0241 11.0283 k =-0.2642 0.2628 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k =-0.2830 0.2815 0.2910 ( 6836 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1913 -37.9178 -37.9177 -37.9176 -37.9176 -37.8828 -37.8828 -37.8827 -37.8826 -11.9674 -11.9670 -11.9670 -11.9669 -9.2566 -9.2565 -9.2563 -9.2562 -1.8182 -1.8097 -1.8045 -1.7991 -0.4809 -0.4712 -0.4619 -0.4521 0.8729 0.9159 0.9315 0.9470 1.6656 1.6811 1.6818 1.7081 3.4010 3.4161 3.4230 3.4352 5.5920 5.5964 5.6059 5.6144 6.9748 6.9774 6.9776 6.9793 9.5089 9.5151 9.5171 9.5239 11.1542 11.1615 k =-0.2925 0.2909 0.2910 ( 6840 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1915 -38.1915 -38.1914 -38.1914 -37.9178 -37.9177 -37.9176 -37.9176 -37.8828 -37.8828 -37.8827 -37.8827 -11.9594 -11.9590 -11.9590 -11.9589 -9.2622 -9.2621 -9.2619 -9.2618 -1.8309 -1.8226 -1.8175 -1.8123 -0.4928 -0.4834 -0.4739 -0.4640 0.8630 0.9052 0.9210 0.9361 1.6561 1.6716 1.6725 1.6975 3.4046 3.4183 3.4255 3.4372 5.6067 5.6097 5.6199 5.6276 6.9832 6.9850 6.9856 6.9859 9.5306 9.5367 9.5383 9.5459 11.1979 11.2064 k =-0.3019 0.3003 0.2910 ( 6852 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1915 -38.1914 -38.1914 -37.9178 -37.9177 -37.9177 -37.9176 -37.8828 -37.8828 -37.8827 -37.8827 -11.9515 -11.9511 -11.9511 -11.9510 -9.2677 -9.2676 -9.2674 -9.2673 -1.8429 -1.8347 -1.8298 -1.8249 -0.5044 -0.4951 -0.4856 -0.4756 0.8528 0.8940 0.9101 0.9249 1.6473 1.6625 1.6638 1.6874 3.4076 3.4200 3.4274 3.4386 5.6177 5.6193 5.6303 5.6373 6.9913 6.9922 6.9924 6.9936 9.5542 9.5602 9.5615 9.5697 11.2386 11.2482 k =-0.3113 0.3097 0.2910 ( 6858 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1915 -38.1915 -38.1914 -37.9178 -37.9178 -37.9177 -37.9176 -37.8828 -37.8828 -37.8827 -37.8827 -11.9438 -11.9434 -11.9434 -11.9433 -9.2731 -9.2730 -9.2728 -9.2727 -1.8541 -1.8461 -1.8413 -1.8366 -0.5154 -0.5065 -0.4968 -0.4867 0.8426 0.8826 0.8990 0.9134 1.6390 1.6540 1.6555 1.6777 3.4101 3.4212 3.4288 3.4395 5.6254 5.6257 5.6374 5.6437 6.9988 6.9991 6.9992 7.0013 9.5790 9.5850 9.5858 9.5946 11.2741 11.2845 k =-0.3208 0.3191 0.2910 ( 6878 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1915 -38.1915 -38.1914 -37.9178 -37.9178 -37.9177 -37.9177 -37.8828 -37.8828 -37.8827 -37.8827 -11.9362 -11.9358 -11.9358 -11.9357 -9.2784 -9.2783 -9.2781 -9.2780 -1.8645 -1.8567 -1.8522 -1.8476 -0.5260 -0.5174 -0.5075 -0.4975 0.8322 0.8709 0.8878 0.9016 1.6314 1.6460 1.6477 1.6686 3.4119 3.4218 3.4296 3.4396 5.6291 5.6300 5.6415 5.6472 7.0051 7.0060 7.0066 7.0088 9.6040 9.6100 9.6103 9.6197 11.3032 11.3139 k =-0.3302 0.3284 0.2910 ( 6874 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1915 -38.1915 -38.1914 -37.9178 -37.9178 -37.9177 -37.9177 -37.8828 -37.8828 -37.8827 -37.8827 -11.9288 -11.9285 -11.9284 -11.9284 -9.2836 -9.2835 -9.2833 -9.2832 -1.8742 -1.8666 -1.8622 -1.8579 -0.5361 -0.5277 -0.5176 -0.5077 0.8219 0.8591 0.8766 0.8898 1.6244 1.6385 1.6405 1.6600 3.4132 3.4219 3.4298 3.4392 5.6300 5.6318 5.6429 5.6480 7.0114 7.0128 7.0140 7.0161 9.6284 9.6341 9.6344 9.6440 11.3267 11.3371 k =-0.3396 0.3378 0.2910 ( 6886 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1915 -38.1914 -37.9179 -37.9178 -37.9177 -37.9177 -37.8829 -37.8829 -37.8827 -37.8827 -11.9216 -11.9213 -11.9213 -11.9212 -9.2887 -9.2886 -9.2883 -9.2883 -1.8831 -1.8757 -1.8716 -1.8674 -0.5457 -0.5376 -0.5272 -0.5175 0.8116 0.8473 0.8653 0.8779 1.6179 1.6315 1.6337 1.6518 3.4139 3.4215 3.4295 3.4381 5.6286 5.6312 5.6421 5.6467 7.0176 7.0195 7.0210 7.0232 9.6510 9.6562 9.6571 9.6666 11.3470 11.3567 k =-0.3491 0.3472 0.2910 ( 6878 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1915 -38.1915 -37.9179 -37.9178 -37.9177 -37.9177 -37.8829 -37.8829 -37.8827 -37.8827 -11.9147 -11.9144 -11.9144 -11.9143 -9.2935 -9.2934 -9.2932 -9.2931 -1.8913 -1.8841 -1.8803 -1.8763 -0.5547 -0.5469 -0.5363 -0.5267 0.8014 0.8354 0.8541 0.8661 1.6121 1.6251 1.6275 1.6443 3.4140 3.4205 3.4285 3.4365 5.6254 5.6287 5.6394 5.6436 7.0238 7.0260 7.0279 7.0301 9.6712 9.6759 9.6774 9.6866 11.3670 11.3760 k =-0.3585 0.3566 0.2910 ( 6886 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1915 -38.1915 -37.9179 -37.9178 -37.9178 -37.9177 -37.8829 -37.8829 -37.8828 -37.8827 -11.9081 -11.9078 -11.9078 -11.9077 -9.2982 -9.2981 -9.2979 -9.2978 -1.8988 -1.8918 -1.8884 -1.8844 -0.5631 -0.5557 -0.5447 -0.5355 0.7915 0.8237 0.8431 0.8544 1.6069 1.6192 1.6217 1.6372 3.4135 3.4190 3.4270 3.4343 5.6208 5.6246 5.6352 5.6390 7.0299 7.0323 7.0344 7.0366 9.6883 9.6925 9.6946 9.7033 11.3895 11.3978 k =-0.3679 0.3660 0.2910 ( 6886 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1915 -38.1915 -37.9179 -37.9178 -37.9178 -37.9177 -37.8829 -37.8829 -37.8828 -37.8827 -11.9018 -11.9014 -11.9014 -11.9014 -9.3027 -9.3026 -9.3024 -9.3023 -1.9057 -1.8988 -1.8957 -1.8919 -0.5710 -0.5639 -0.5526 -0.5437 0.7818 0.8122 0.8324 0.8430 1.6022 1.6138 1.6163 1.6306 3.4125 3.4171 3.4250 3.4315 5.6151 5.6192 5.6299 5.6333 7.0358 7.0385 7.0407 7.0429 9.7019 9.7056 9.7083 9.7165 11.4163 11.4239 k =-0.3774 0.3754 0.2910 ( 6886 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1915 -37.9179 -37.9178 -37.9178 -37.9177 -37.8829 -37.8829 -37.8828 -37.8827 -11.8957 -11.8954 -11.8954 -11.8954 -9.3070 -9.3069 -9.3067 -9.3066 -1.9118 -1.9052 -1.9025 -1.8987 -0.5782 -0.5716 -0.5598 -0.5513 0.7725 0.8010 0.8220 0.8319 1.5980 1.6088 1.6115 1.6245 3.4111 3.4147 3.4226 3.4283 5.6086 5.6130 5.6238 5.6269 7.0416 7.0444 7.0466 7.0488 9.7118 9.7150 9.7184 9.7260 11.4480 11.4551 k =-0.3868 0.3847 0.2910 ( 6882 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1917 -38.1916 -38.1916 -38.1915 -37.9179 -37.9178 -37.9178 -37.9177 -37.8829 -37.8829 -37.8827 -37.8827 -11.8901 -11.8898 -11.8897 -11.8897 -9.3110 -9.3109 -9.3107 -9.3106 -1.9174 -1.9109 -1.9086 -1.9049 -0.5849 -0.5787 -0.5665 -0.5584 0.7636 0.7901 0.8121 0.8212 1.5944 1.6044 1.6070 1.6189 3.4093 3.4121 3.4198 3.4248 5.6017 5.6061 5.6171 5.6200 7.0471 7.0499 7.0522 7.0543 9.7182 9.7209 9.7248 9.7318 11.4849 11.4916 k =-0.3962 0.3941 0.2910 ( 6882 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1917 -38.1916 -38.1916 -38.1915 -37.9179 -37.9178 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8827 -11.8848 -11.8845 -11.8844 -11.8844 -9.3148 -9.3147 -9.3145 -9.3144 -1.9223 -1.9161 -1.9142 -1.9105 -0.5910 -0.5852 -0.5725 -0.5650 0.7552 0.7797 0.8026 0.8110 1.5912 1.6004 1.6030 1.6138 3.4071 3.4092 3.4167 3.4209 5.5946 5.5990 5.6103 5.6129 7.0524 7.0552 7.0573 7.0594 9.7213 9.7236 9.7280 9.7343 11.5264 11.5327 k =-0.4057 0.4035 0.2910 ( 6900 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1917 -38.1916 -38.1916 -38.1915 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8798 -11.8795 -11.8795 -11.8795 -9.3183 -9.3182 -9.3180 -9.3179 -1.9267 -1.9206 -1.9192 -1.9156 -0.5965 -0.5912 -0.5780 -0.5710 0.7474 0.7698 0.7938 0.8013 1.5885 1.5969 1.5994 1.6090 3.4048 3.4062 3.4134 3.4169 5.5875 5.5918 5.6035 5.6059 7.0573 7.0601 7.0620 7.0641 9.7216 9.7235 9.7284 9.7340 11.5715 11.5774 k =-0.4151 0.4129 0.2910 ( 6896 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1917 -38.1916 -38.1916 -38.1915 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8753 -11.8751 -11.8750 -11.8750 -9.3215 -9.3214 -9.3212 -9.3211 -1.9305 -1.9246 -1.9237 -1.9201 -0.6015 -0.5966 -0.5829 -0.5764 0.7403 0.7606 0.7855 0.7923 1.5862 1.5938 1.5962 1.6047 3.4023 3.4031 3.4100 3.4128 5.5807 5.5848 5.5969 5.5991 7.0619 7.0646 7.0663 7.0684 9.7197 9.7213 9.7266 9.7316 11.6190 11.6245 k =-0.4245 0.4223 0.2910 ( 6890 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1917 -38.1916 -38.1916 -38.1915 -37.9179 -37.9178 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8712 -11.8710 -11.8710 -11.8710 -9.3244 -9.3244 -9.3241 -9.3240 -1.9338 -1.9281 -1.9277 -1.9241 -0.6058 -0.6014 -0.5872 -0.5813 0.7338 0.7519 0.7780 0.7841 1.5843 1.5911 1.5933 1.6008 3.3998 3.4001 3.4066 3.4088 5.5743 5.5782 5.5907 5.5926 7.0660 7.0687 7.0701 7.0721 9.7162 9.7175 9.7231 9.7275 11.6675 11.6726 k =-0.4340 0.4317 0.2910 ( 6882 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1917 -38.1916 -38.1916 -38.1915 -37.9179 -37.9178 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8676 -11.8674 -11.8673 -11.8673 -9.3270 -9.3270 -9.3267 -9.3266 -1.9366 -1.9312 -1.9311 -1.9275 -0.6096 -0.6057 -0.5909 -0.5857 0.7281 0.7441 0.7713 0.7766 1.5829 1.5888 1.5908 1.5973 3.3972 3.3973 3.4032 3.4048 5.5685 5.5720 5.5850 5.5867 7.0698 7.0723 7.0735 7.0754 9.7117 9.7127 9.7186 9.7224 11.7155 11.7201 k =-0.4434 0.4410 0.2910 ( 6884 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1917 -38.1916 -38.1916 -38.1915 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8644 -11.8642 -11.8641 -11.8641 -9.3293 -9.3293 -9.3290 -9.3289 -1.9389 -1.9343 -1.9336 -1.9305 -0.6128 -0.6094 -0.5940 -0.5895 0.7232 0.7369 0.7654 0.7699 1.5818 1.5868 1.5886 1.5942 3.3945 3.3950 3.4001 3.4011 5.5633 5.5663 5.5799 5.5813 7.0731 7.0755 7.0763 7.0783 9.7066 9.7074 9.7137 9.7168 11.7612 11.7653 k =-0.4528 0.4504 0.2910 ( 6880 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1917 -38.1916 -38.1916 -38.1915 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8617 -11.8615 -11.8614 -11.8614 -9.3312 -9.3312 -9.3309 -9.3309 -1.9408 -1.9369 -1.9356 -1.9331 -0.6155 -0.6127 -0.5966 -0.5928 0.7192 0.7306 0.7603 0.7641 1.5810 1.5852 1.5868 1.5914 3.3922 3.3930 3.3972 3.3977 5.5588 5.5614 5.5755 5.5767 7.0760 7.0783 7.0787 7.0806 9.7016 9.7022 9.7087 9.7112 11.8033 11.8068 k =-0.4623 0.4598 0.2910 ( 6876 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1915 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8594 -11.8593 -11.8592 -11.8592 -9.3328 -9.3328 -9.3325 -9.3325 -1.9422 -1.9391 -1.9372 -1.9352 -0.6176 -0.6153 -0.5986 -0.5956 0.7160 0.7252 0.7562 0.7592 1.5807 1.5840 1.5853 1.5889 3.3902 3.3913 3.3946 3.3947 5.5551 5.5573 5.5718 5.5728 7.0784 7.0806 7.0806 7.0825 9.6969 9.6974 9.7041 9.7061 11.8402 11.8431 k =-0.4717 0.4692 0.2910 ( 6862 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1915 -37.9179 -37.9178 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8576 -11.8575 -11.8574 -11.8574 -9.3341 -9.3341 -9.3337 -9.3337 -1.9432 -1.9408 -1.9384 -1.9368 -0.6192 -0.6175 -0.6001 -0.5978 0.7138 0.7207 0.7531 0.7554 1.5806 1.5831 1.5841 1.5868 3.3888 3.3900 3.3921 3.3925 5.5523 5.5539 5.5690 5.5697 7.0803 7.0820 7.0824 7.0839 9.6929 9.6933 9.7002 9.7017 11.8706 11.8728 k =-0.4811 0.4786 0.2910 ( 6858 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1915 -37.9179 -37.9178 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8564 -11.8563 -11.8562 -11.8562 -9.3350 -9.3350 -9.3346 -9.3346 -1.9438 -1.9422 -1.9391 -1.9381 -0.6202 -0.6191 -0.6010 -0.5995 0.7125 0.7172 0.7509 0.7524 1.5809 1.5825 1.5832 1.5850 3.3879 3.3891 3.3901 3.3908 5.5503 5.5514 5.5670 5.5675 7.0818 7.0829 7.0838 7.0848 9.6899 9.6901 9.6974 9.6984 11.8933 11.8948 k =-0.4906 0.4880 0.2910 ( 6864 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1916 -38.1916 -37.9179 -37.9179 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8556 -11.8556 -11.8554 -11.8554 -9.3355 -9.3355 -9.3352 -9.3352 -1.9440 -1.9432 -1.9395 -1.9389 -0.6207 -0.6201 -0.6014 -0.6007 0.7122 0.7145 0.7498 0.7505 1.5814 1.5822 1.5826 1.5835 3.3875 3.3886 3.3887 3.3896 5.5492 5.5498 5.5658 5.5660 7.0828 7.0834 7.0847 7.0852 9.6881 9.6882 9.6957 9.6962 11.9074 11.9082 k =-0.5000 0.4974 0.2910 ( 6856 PWs) bands (ev): -71.2442 -71.2442 -71.2442 -71.2442 -38.1916 -38.1916 -38.1915 -38.1915 -37.9178 -37.9178 -37.9178 -37.9178 -37.8829 -37.8829 -37.8828 -37.8828 -11.8553 -11.8553 -11.8552 -11.8552 -9.3357 -9.3357 -9.3354 -9.3354 -1.9438 -1.9438 -1.9394 -1.9394 -0.6207 -0.6207 -0.6013 -0.6013 0.7129 0.7129 0.7496 0.7496 1.5823 1.5823 1.5823 1.5823 3.3878 3.3878 3.3889 3.3889 5.5491 5.5491 5.5655 5.5655 7.0833 7.0833 7.0852 7.0852 9.6875 9.6875 9.6953 9.6953 11.9124 11.9124 Writing output data file MgCl2.save init_run : 3.73s CPU 13.32s WALL ( 1 calls) electrons : 1209.82s CPU 1222.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.40s CPU 1.58s WALL ( 1 calls) Called by electrons: c_bands : 1209.70s CPU 1221.75s WALL ( 1 calls) v_of_rho : 0.06s CPU 1.01s WALL ( 1 calls) v_h : 0.00s CPU 0.03s WALL ( 1 calls) v_xc : 0.06s CPU 0.63s WALL ( 1 calls) newd : 0.50s CPU 0.68s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.34s WALL ( 388 calls) cegterg : 1093.98s CPU 1100.49s WALL ( 996 calls) Called by sum_band: Called by *egterg: h_psi : 467.30s CPU 477.73s WALL ( 17394 calls) s_psi : 52.93s CPU 53.67s WALL ( 17394 calls) g_psi : 1.29s CPU 1.31s WALL ( 16010 calls) cdiaghg : 405.75s CPU 401.47s WALL ( 16398 calls) cegterg:over : 93.72s CPU 91.03s WALL ( 16010 calls) cegterg:upda : 26.56s CPU 31.62s WALL ( 16010 calls) cegterg:last : 19.52s CPU 20.27s WALL ( 2184 calls) Called by h_psi: h_psi:vloc : 359.30s CPU 367.85s WALL ( 17394 calls) h_psi:vnl : 107.39s CPU 108.51s WALL ( 17394 calls) add_vuspsi : 39.78s CPU 45.53s WALL ( 17394 calls) General routines calbec : 67.54s CPU 62.78s WALL ( 17394 calls) fft : 0.42s CPU 1.27s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 340.48s CPU 348.72s WALL ( 1552936 calls) interpolate : 0.08s CPU 0.08s WALL ( 4 calls) davcio : 0.04s CPU 5.87s WALL ( 776 calls) Parallel routines fft_scatter : 220.97s CPU 227.55s WALL ( 1552959 calls) PWSCF : 22m 1.21s CPU 29m 2.60s WALL This run was terminated on: 15:57:28 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=