Program PWSCF v.5.4.0 starts on 4Aug2017 at 1:31:13 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Na2In.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 156 129 34 13290 9983 1388 Max 157 130 35 13297 10020 1395 Sum 5629 4667 1249 478571 360149 50085 bravais-lattice index = 14 lattice parameter (alat) = 15.5267 a.u. unit-cell volume = 4858.5863 (a.u.)^3 number of atoms/cell = 24 number of atomic types = 2 number of electrons = 248.00 number of Kohn-Sham states= 298 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.526716 celldm(2)= 1.000000 celldm(3)= 1.431530 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.421744 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.421744 0.906715 0.000000 ) a(3) = ( 0.000000 0.000000 1.431530 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.465135 -0.000000 ) b(2) = ( 0.000000 1.102883 -0.000000 ) b(3) = ( 0.000000 0.000000 0.698553 ) PseudoPot. # 1 for In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 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 Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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 In 13.00 114.81800 In( 1.00) Na 9.00 22.98980 Na( 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 = 2 180 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 ) ( -0.7157649 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 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 and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 216 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 2) = ( 0.0135262 0.0212093 -0.0000000), wk = 0.0046296 k( 3) = ( 0.0270524 0.0424186 -0.0000000), wk = 0.0046296 k( 4) = ( 0.0405785 0.0636278 -0.0000000), wk = 0.0046296 k( 5) = ( 0.0541047 0.0848371 -0.0000000), wk = 0.0046296 k( 6) = ( 0.0676309 0.1060464 -0.0000000), wk = 0.0046296 k( 7) = ( 0.0811571 0.1272557 -0.0000000), wk = 0.0046296 k( 8) = ( 0.0946833 0.1484650 -0.0000000), wk = 0.0046296 k( 9) = ( 0.1082094 0.1696742 -0.0000000), wk = 0.0046296 k( 10) = ( 0.1217356 0.1908835 -0.0000000), wk = 0.0046296 k( 11) = ( 0.1352618 0.2120928 -0.0000000), wk = 0.0046296 k( 12) = ( 0.1487880 0.2333021 -0.0000000), wk = 0.0046296 k( 13) = ( 0.1623141 0.2545114 -0.0000000), wk = 0.0046296 k( 14) = ( 0.1758403 0.2757207 -0.0000000), wk = 0.0046296 k( 15) = ( 0.1893665 0.2969299 -0.0000000), wk = 0.0046296 k( 16) = ( 0.2028927 0.3181392 -0.0000000), wk = 0.0046296 k( 17) = ( 0.2164189 0.3393485 -0.0000000), wk = 0.0046296 k( 18) = ( 0.2299451 0.3605578 -0.0000000), wk = 0.0046296 k( 19) = ( 0.2434712 0.3817671 -0.0000000), wk = 0.0046296 k( 20) = ( 0.2569974 0.4029764 -0.0000000), wk = 0.0046296 k( 21) = ( 0.2705236 0.4241856 -0.0000000), wk = 0.0046296 k( 22) = ( 0.2840498 0.4453949 -0.0000000), wk = 0.0046296 k( 23) = ( 0.2975759 0.4666042 -0.0000000), wk = 0.0046296 k( 24) = ( 0.3111021 0.4878135 -0.0000000), wk = 0.0046296 k( 25) = ( 0.3246283 0.5090228 -0.0000000), wk = 0.0046296 k( 26) = ( 0.3381545 0.5302320 -0.0000000), wk = 0.0046296 k( 27) = ( 0.3516807 0.5514413 -0.0000000), wk = 0.0046296 k( 28) = ( 0.3516807 0.5514413 -0.0000000), wk = 0.0046296 k( 29) = ( 0.3265606 0.5514413 -0.0000000), wk = 0.0046296 k( 30) = ( 0.3014406 0.5514413 -0.0000000), wk = 0.0046296 k( 31) = ( 0.2763205 0.5514413 -0.0000000), wk = 0.0046296 k( 32) = ( 0.2512005 0.5514413 -0.0000000), wk = 0.0046296 k( 33) = ( 0.2260804 0.5514413 -0.0000000), wk = 0.0046296 k( 34) = ( 0.2009604 0.5514413 -0.0000000), wk = 0.0046296 k( 35) = ( 0.1758403 0.5514413 -0.0000000), wk = 0.0046296 k( 36) = ( 0.1507203 0.5514413 -0.0000000), wk = 0.0046296 k( 37) = ( 0.1256002 0.5514413 -0.0000000), wk = 0.0046296 k( 38) = ( 0.1004802 0.5514413 -0.0000000), wk = 0.0046296 k( 39) = ( 0.0753601 0.5514413 -0.0000000), wk = 0.0046296 k( 40) = ( 0.0502401 0.5514413 -0.0000000), wk = 0.0046296 k( 41) = ( 0.0251201 0.5514413 -0.0000000), wk = 0.0046296 k( 42) = ( 0.0000000 0.5514413 -0.0000000), wk = 0.0046296 k( 43) = ( 0.0000000 0.5514413 -0.0000000), wk = 0.0046296 k( 44) = ( 0.0000000 0.5514413 0.0249483), wk = 0.0046296 k( 45) = ( 0.0000000 0.5514413 0.0498967), wk = 0.0046296 k( 46) = ( 0.0000000 0.5514413 0.0748450), wk = 0.0046296 k( 47) = ( 0.0000000 0.5514413 0.0997933), wk = 0.0046296 k( 48) = ( 0.0000000 0.5514413 0.1247417), wk = 0.0046296 k( 49) = ( 0.0000000 0.5514413 0.1496900), wk = 0.0046296 k( 50) = ( 0.0000000 0.5514413 0.1746383), wk = 0.0046296 k( 51) = ( 0.0000000 0.5514413 0.1995867), wk = 0.0046296 k( 52) = ( 0.0000000 0.5514413 0.2245350), wk = 0.0046296 k( 53) = ( 0.0000000 0.5514413 0.2494834), wk = 0.0046296 k( 54) = ( 0.0000000 0.5514413 0.2744317), wk = 0.0046296 k( 55) = ( 0.0000000 0.5514413 0.2993800), wk = 0.0046296 k( 56) = ( 0.0000000 0.5514413 0.3243284), wk = 0.0046296 k( 57) = ( 0.0000000 0.5514413 0.3492767), wk = 0.0046296 k( 58) = ( 0.0000000 0.5514413 0.3492767), wk = 0.0046296 k( 59) = ( 0.0251201 0.5514413 0.3492767), wk = 0.0046296 k( 60) = ( 0.0502401 0.5514413 0.3492767), wk = 0.0046296 k( 61) = ( 0.0753601 0.5514413 0.3492767), wk = 0.0046296 k( 62) = ( 0.1004802 0.5514413 0.3492767), wk = 0.0046296 k( 63) = ( 0.1256002 0.5514413 0.3492767), wk = 0.0046296 k( 64) = ( 0.1507203 0.5514413 0.3492767), wk = 0.0046296 k( 65) = ( 0.1758403 0.5514413 0.3492767), wk = 0.0046296 k( 66) = ( 0.2009604 0.5514413 0.3492767), wk = 0.0046296 k( 67) = ( 0.2260804 0.5514413 0.3492767), wk = 0.0046296 k( 68) = ( 0.2512005 0.5514413 0.3492767), wk = 0.0046296 k( 69) = ( 0.2763205 0.5514413 0.3492767), wk = 0.0046296 k( 70) = ( 0.3014406 0.5514413 0.3492767), wk = 0.0046296 k( 71) = ( 0.3265606 0.5514413 0.3492767), wk = 0.0046296 k( 72) = ( 0.3516807 0.5514413 0.3492767), wk = 0.0046296 k( 73) = ( 0.3516807 0.5514413 0.3492767), wk = 0.0046296 k( 74) = ( 0.3381545 0.5302320 0.3492767), wk = 0.0046296 k( 75) = ( 0.3246283 0.5090228 0.3492767), wk = 0.0046296 k( 76) = ( 0.3111021 0.4878135 0.3492767), wk = 0.0046296 k( 77) = ( 0.2975759 0.4666042 0.3492767), wk = 0.0046296 k( 78) = ( 0.2840498 0.4453949 0.3492767), wk = 0.0046296 k( 79) = ( 0.2705236 0.4241856 0.3492767), wk = 0.0046296 k( 80) = ( 0.2569974 0.4029764 0.3492767), wk = 0.0046296 k( 81) = ( 0.2434712 0.3817671 0.3492767), wk = 0.0046296 k( 82) = ( 0.2299451 0.3605578 0.3492767), wk = 0.0046296 k( 83) = ( 0.2164189 0.3393485 0.3492767), wk = 0.0046296 k( 84) = ( 0.2028927 0.3181392 0.3492767), wk = 0.0046296 k( 85) = ( 0.1893665 0.2969299 0.3492767), wk = 0.0046296 k( 86) = ( 0.1758403 0.2757207 0.3492767), wk = 0.0046296 k( 87) = ( 0.1623141 0.2545114 0.3492767), wk = 0.0046296 k( 88) = ( 0.1487880 0.2333021 0.3492767), wk = 0.0046296 k( 89) = ( 0.1352618 0.2120928 0.3492767), wk = 0.0046296 k( 90) = ( 0.1217356 0.1908835 0.3492767), wk = 0.0046296 k( 91) = ( 0.1082094 0.1696742 0.3492767), wk = 0.0046296 k( 92) = ( 0.0946833 0.1484650 0.3492767), wk = 0.0046296 k( 93) = ( 0.0811571 0.1272557 0.3492767), wk = 0.0046296 k( 94) = ( 0.0676309 0.1060464 0.3492767), wk = 0.0046296 k( 95) = ( 0.0541047 0.0848371 0.3492767), wk = 0.0046296 k( 96) = ( 0.0405785 0.0636278 0.3492767), wk = 0.0046296 k( 97) = ( 0.0270524 0.0424186 0.3492767), wk = 0.0046296 k( 98) = ( 0.0135262 0.0212093 0.3492767), wk = 0.0046296 k( 99) = ( 0.0000000 0.0000000 0.3492767), wk = 0.0046296 k( 100) = ( 0.0000000 0.0000000 0.3492767), wk = 0.0046296 k( 101) = ( 0.0000000 0.0000000 0.3243284), wk = 0.0046296 k( 102) = ( 0.0000000 0.0000000 0.2993800), wk = 0.0046296 k( 103) = ( 0.0000000 0.0000000 0.2744317), wk = 0.0046296 k( 104) = ( 0.0000000 0.0000000 0.2494834), wk = 0.0046296 k( 105) = ( 0.0000000 0.0000000 0.2245350), wk = 0.0046296 k( 106) = ( 0.0000000 0.0000000 0.1995867), wk = 0.0046296 k( 107) = ( 0.0000000 0.0000000 0.1746383), wk = 0.0046296 k( 108) = ( 0.0000000 0.0000000 0.1496900), wk = 0.0046296 k( 109) = ( 0.0000000 0.0000000 0.1247417), wk = 0.0046296 k( 110) = ( 0.0000000 0.0000000 0.0997933), wk = 0.0046296 k( 111) = ( 0.0000000 0.0000000 0.0748450), wk = 0.0046296 k( 112) = ( 0.0000000 0.0000000 0.0498967), wk = 0.0046296 k( 113) = ( 0.0000000 0.0000000 0.0249483), wk = 0.0046296 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 116) = ( -0.0217391 0.0138641 0.0000000), wk = 0.0046296 k( 117) = ( -0.0434783 0.0277282 0.0000000), wk = 0.0046296 k( 118) = ( -0.0652174 0.0415923 0.0000000), wk = 0.0046296 k( 119) = ( -0.0869565 0.0554564 0.0000000), wk = 0.0046296 k( 120) = ( -0.1086957 0.0693204 0.0000000), wk = 0.0046296 k( 121) = ( -0.1304348 0.0831845 0.0000000), wk = 0.0046296 k( 122) = ( -0.1521739 0.0970486 0.0000000), wk = 0.0046296 k( 123) = ( -0.1739130 0.1109127 0.0000000), wk = 0.0046296 k( 124) = ( -0.1956522 0.1247768 0.0000000), wk = 0.0046296 k( 125) = ( -0.2173913 0.1386409 0.0000000), wk = 0.0046296 k( 126) = ( -0.2391304 0.1525050 0.0000000), wk = 0.0046296 k( 127) = ( -0.2608696 0.1663691 0.0000000), wk = 0.0046296 k( 128) = ( -0.2826087 0.1802332 0.0000000), wk = 0.0046296 k( 129) = ( -0.3043478 0.1940973 0.0000000), wk = 0.0046296 k( 130) = ( -0.3260870 0.2079613 0.0000000), wk = 0.0046296 k( 131) = ( -0.3478261 0.2218254 0.0000000), wk = 0.0046296 k( 132) = ( -0.3695652 0.2356895 0.0000000), wk = 0.0046296 k( 133) = ( -0.3913044 0.2495536 0.0000000), wk = 0.0046296 k( 134) = ( -0.4130435 0.2634177 0.0000000), wk = 0.0046296 k( 135) = ( -0.4347826 0.2772818 0.0000000), wk = 0.0046296 k( 136) = ( -0.4565217 0.2911459 0.0000000), wk = 0.0046296 k( 137) = ( -0.4782609 0.3050100 0.0000000), wk = 0.0046296 k( 138) = ( -0.5000000 0.3188741 0.0000000), wk = 0.0046296 k( 139) = ( -0.5000000 0.3188741 0.0000000), wk = 0.0046296 k( 140) = ( -0.4865164 0.3400165 -0.0000000), wk = 0.0046296 k( 141) = ( -0.4730329 0.3611590 -0.0000000), wk = 0.0046296 k( 142) = ( -0.4595493 0.3823015 -0.0000000), wk = 0.0046296 k( 143) = ( -0.4460657 0.4034440 -0.0000000), wk = 0.0046296 k( 144) = ( -0.4325821 0.4245864 -0.0000000), wk = 0.0046296 k( 145) = ( -0.4190985 0.4457289 -0.0000000), wk = 0.0046296 k( 146) = ( -0.4056150 0.4668714 -0.0000000), wk = 0.0046296 k( 147) = ( -0.3921314 0.4880139 -0.0000000), wk = 0.0046296 k( 148) = ( -0.3786478 0.5091564 -0.0000000), wk = 0.0046296 k( 149) = ( -0.3651642 0.5302988 -0.0000000), wk = 0.0046296 k( 150) = ( -0.3516807 0.5514413 -0.0000000), wk = 0.0046296 k( 151) = ( -0.3516807 0.5514413 -0.0000000), wk = 0.0046296 k( 152) = ( -0.3516807 0.5514413 0.0249483), wk = 0.0046296 k( 153) = ( -0.3516807 0.5514413 0.0498967), wk = 0.0046296 k( 154) = ( -0.3516807 0.5514413 0.0748450), wk = 0.0046296 k( 155) = ( -0.3516807 0.5514413 0.0997933), wk = 0.0046296 k( 156) = ( -0.3516807 0.5514413 0.1247417), wk = 0.0046296 k( 157) = ( -0.3516807 0.5514413 0.1496900), wk = 0.0046296 k( 158) = ( -0.3516807 0.5514413 0.1746383), wk = 0.0046296 k( 159) = ( -0.3516807 0.5514413 0.1995867), wk = 0.0046296 k( 160) = ( -0.3516807 0.5514413 0.2245350), wk = 0.0046296 k( 161) = ( -0.3516807 0.5514413 0.2494834), wk = 0.0046296 k( 162) = ( -0.3516807 0.5514413 0.2744317), wk = 0.0046296 k( 163) = ( -0.3516807 0.5514413 0.2993800), wk = 0.0046296 k( 164) = ( -0.3516807 0.5514413 0.3243284), wk = 0.0046296 k( 165) = ( -0.3516807 0.5514413 0.3492767), wk = 0.0046296 k( 166) = ( -0.3516807 0.5514413 0.3492767), wk = 0.0046296 k( 167) = ( -0.3651642 0.5302988 0.3492767), wk = 0.0046296 k( 168) = ( -0.3786478 0.5091564 0.3492767), wk = 0.0046296 k( 169) = ( -0.3921314 0.4880139 0.3492767), wk = 0.0046296 k( 170) = ( -0.4056150 0.4668714 0.3492767), wk = 0.0046296 k( 171) = ( -0.4190985 0.4457289 0.3492767), wk = 0.0046296 k( 172) = ( -0.4325821 0.4245864 0.3492767), wk = 0.0046296 k( 173) = ( -0.4460657 0.4034440 0.3492767), wk = 0.0046296 k( 174) = ( -0.4595493 0.3823015 0.3492767), wk = 0.0046296 k( 175) = ( -0.4730329 0.3611590 0.3492767), wk = 0.0046296 k( 176) = ( -0.4865164 0.3400165 0.3492767), wk = 0.0046296 k( 177) = ( -0.5000000 0.3188741 0.3492767), wk = 0.0046296 k( 178) = ( -0.5000000 0.3188741 0.3492767), wk = 0.0046296 k( 179) = ( -0.5000000 0.3188741 0.3243284), wk = 0.0046296 k( 180) = ( -0.5000000 0.3188741 0.2993800), wk = 0.0046296 k( 181) = ( -0.5000000 0.3188741 0.2744317), wk = 0.0046296 k( 182) = ( -0.5000000 0.3188741 0.2494834), wk = 0.0046296 k( 183) = ( -0.5000000 0.3188741 0.2245350), wk = 0.0046296 k( 184) = ( -0.5000000 0.3188741 0.1995867), wk = 0.0046296 k( 185) = ( -0.5000000 0.3188741 0.1746383), wk = 0.0046296 k( 186) = ( -0.5000000 0.3188741 0.1496900), wk = 0.0046296 k( 187) = ( -0.5000000 0.3188741 0.1247417), wk = 0.0046296 k( 188) = ( -0.5000000 0.3188741 0.0997933), wk = 0.0046296 k( 189) = ( -0.5000000 0.3188741 0.0748450), wk = 0.0046296 k( 190) = ( -0.5000000 0.3188741 0.0498967), wk = 0.0046296 k( 191) = ( -0.5000000 0.3188741 0.0249483), wk = 0.0046296 k( 192) = ( -0.5000000 0.3188741 0.0000000), wk = 0.0046296 k( 193) = ( 0.0000000 0.0000000 0.3492767), wk = 0.0046296 k( 194) = ( -0.0217391 0.0138641 0.3492767), wk = 0.0046296 k( 195) = ( -0.0434783 0.0277282 0.3492767), wk = 0.0046296 k( 196) = ( -0.0652174 0.0415923 0.3492767), wk = 0.0046296 k( 197) = ( -0.0869565 0.0554564 0.3492767), wk = 0.0046296 k( 198) = ( -0.1086957 0.0693204 0.3492767), wk = 0.0046296 k( 199) = ( -0.1304348 0.0831845 0.3492767), wk = 0.0046296 k( 200) = ( -0.1521739 0.0970486 0.3492767), wk = 0.0046296 k( 201) = ( -0.1739130 0.1109127 0.3492767), wk = 0.0046296 k( 202) = ( -0.1956522 0.1247768 0.3492767), wk = 0.0046296 k( 203) = ( -0.2173913 0.1386409 0.3492767), wk = 0.0046296 k( 204) = ( -0.2391304 0.1525050 0.3492767), wk = 0.0046296 k( 205) = ( -0.2608696 0.1663691 0.3492767), wk = 0.0046296 k( 206) = ( -0.2826087 0.1802332 0.3492767), wk = 0.0046296 k( 207) = ( -0.3043478 0.1940973 0.3492767), wk = 0.0046296 k( 208) = ( -0.3260870 0.2079613 0.3492767), wk = 0.0046296 k( 209) = ( -0.3478261 0.2218254 0.3492767), wk = 0.0046296 k( 210) = ( -0.3695652 0.2356895 0.3492767), wk = 0.0046296 k( 211) = ( -0.3913044 0.2495536 0.3492767), wk = 0.0046296 k( 212) = ( -0.4130435 0.2634177 0.3492767), wk = 0.0046296 k( 213) = ( -0.4347826 0.2772818 0.3492767), wk = 0.0046296 k( 214) = ( -0.4565217 0.2911459 0.3492767), wk = 0.0046296 k( 215) = ( -0.4782609 0.3050100 0.3492767), wk = 0.0046296 k( 216) = ( -0.5000000 0.3188741 0.3492767), wk = 0.0046296 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 2) = ( 0.0135262 0.0135262 -0.0000000), wk = 0.0046296 k( 3) = ( 0.0270524 0.0270524 -0.0000000), wk = 0.0046296 k( 4) = ( 0.0405785 0.0405785 -0.0000000), wk = 0.0046296 k( 5) = ( 0.0541047 0.0541047 -0.0000000), wk = 0.0046296 k( 6) = ( 0.0676309 0.0676309 -0.0000000), wk = 0.0046296 k( 7) = ( 0.0811571 0.0811571 -0.0000000), wk = 0.0046296 k( 8) = ( 0.0946833 0.0946833 0.0000000), wk = 0.0046296 k( 9) = ( 0.1082094 0.1082094 -0.0000000), wk = 0.0046296 k( 10) = ( 0.1217356 0.1217356 0.0000000), wk = 0.0046296 k( 11) = ( 0.1352618 0.1352618 -0.0000000), wk = 0.0046296 k( 12) = ( 0.1487880 0.1487880 -0.0000000), wk = 0.0046296 k( 13) = ( 0.1623141 0.1623141 0.0000000), wk = 0.0046296 k( 14) = ( 0.1758403 0.1758403 0.0000000), wk = 0.0046296 k( 15) = ( 0.1893665 0.1893665 -0.0000000), wk = 0.0046296 k( 16) = ( 0.2028927 0.2028927 -0.0000000), wk = 0.0046296 k( 17) = ( 0.2164189 0.2164189 -0.0000000), wk = 0.0046296 k( 18) = ( 0.2299451 0.2299450 -0.0000000), wk = 0.0046296 k( 19) = ( 0.2434712 0.2434712 -0.0000000), wk = 0.0046296 k( 20) = ( 0.2569974 0.2569974 -0.0000000), wk = 0.0046296 k( 21) = ( 0.2705236 0.2705236 -0.0000000), wk = 0.0046296 k( 22) = ( 0.2840498 0.2840498 0.0000000), wk = 0.0046296 k( 23) = ( 0.2975759 0.2975759 -0.0000000), wk = 0.0046296 k( 24) = ( 0.3111021 0.3111021 0.0000000), wk = 0.0046296 k( 25) = ( 0.3246283 0.3246283 0.0000000), wk = 0.0046296 k( 26) = ( 0.3381545 0.3381545 0.0000000), wk = 0.0046296 k( 27) = ( 0.3516807 0.3516807 0.0000000), wk = 0.0046296 k( 28) = ( 0.3516807 0.3516807 0.0000000), wk = 0.0046296 k( 29) = ( 0.3265606 0.3622749 0.0000000), wk = 0.0046296 k( 30) = ( 0.3014406 0.3728691 -0.0000000), wk = 0.0046296 k( 31) = ( 0.2763205 0.3834634 -0.0000000), wk = 0.0046296 k( 32) = ( 0.2512005 0.3940576 -0.0000000), wk = 0.0046296 k( 33) = ( 0.2260804 0.4046518 -0.0000000), wk = 0.0046296 k( 34) = ( 0.2009604 0.4152461 0.0000000), wk = 0.0046296 k( 35) = ( 0.1758403 0.4258403 -0.0000000), wk = 0.0046296 k( 36) = ( 0.1507203 0.4364346 -0.0000000), wk = 0.0046296 k( 37) = ( 0.1256002 0.4470288 -0.0000000), wk = 0.0046296 k( 38) = ( 0.1004802 0.4576230 0.0000000), wk = 0.0046296 k( 39) = ( 0.0753601 0.4682173 -0.0000000), wk = 0.0046296 k( 40) = ( 0.0502401 0.4788115 0.0000000), wk = 0.0046296 k( 41) = ( 0.0251201 0.4894058 0.0000000), wk = 0.0046296 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0046296 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0046296 k( 44) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0046296 k( 45) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0046296 k( 46) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0046296 k( 47) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0046296 k( 48) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0046296 k( 49) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0046296 k( 50) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0046296 k( 51) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0046296 k( 52) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0046296 k( 53) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0046296 k( 54) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0046296 k( 55) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0046296 k( 56) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0046296 k( 57) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0046296 k( 58) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0046296 k( 59) = ( 0.0251201 0.4894058 0.5000000), wk = 0.0046296 k( 60) = ( 0.0502401 0.4788115 0.5000000), wk = 0.0046296 k( 61) = ( 0.0753601 0.4682173 0.5000000), wk = 0.0046296 k( 62) = ( 0.1004802 0.4576230 0.5000000), wk = 0.0046296 k( 63) = ( 0.1256002 0.4470288 0.5000000), wk = 0.0046296 k( 64) = ( 0.1507203 0.4364346 0.5000000), wk = 0.0046296 k( 65) = ( 0.1758403 0.4258403 0.5000000), wk = 0.0046296 k( 66) = ( 0.2009604 0.4152461 0.5000000), wk = 0.0046296 k( 67) = ( 0.2260804 0.4046518 0.5000000), wk = 0.0046296 k( 68) = ( 0.2512005 0.3940576 0.5000000), wk = 0.0046296 k( 69) = ( 0.2763205 0.3834634 0.5000000), wk = 0.0046296 k( 70) = ( 0.3014406 0.3728691 0.5000000), wk = 0.0046296 k( 71) = ( 0.3265606 0.3622749 0.5000000), wk = 0.0046296 k( 72) = ( 0.3516807 0.3516807 0.5000000), wk = 0.0046296 k( 73) = ( 0.3516807 0.3516807 0.5000000), wk = 0.0046296 k( 74) = ( 0.3381545 0.3381545 0.5000000), wk = 0.0046296 k( 75) = ( 0.3246283 0.3246283 0.5000000), wk = 0.0046296 k( 76) = ( 0.3111021 0.3111021 0.5000000), wk = 0.0046296 k( 77) = ( 0.2975759 0.2975759 0.5000000), wk = 0.0046296 k( 78) = ( 0.2840498 0.2840498 0.5000000), wk = 0.0046296 k( 79) = ( 0.2705236 0.2705236 0.5000000), wk = 0.0046296 k( 80) = ( 0.2569974 0.2569974 0.5000000), wk = 0.0046296 k( 81) = ( 0.2434712 0.2434712 0.5000000), wk = 0.0046296 k( 82) = ( 0.2299451 0.2299450 0.5000000), wk = 0.0046296 k( 83) = ( 0.2164189 0.2164189 0.5000000), wk = 0.0046296 k( 84) = ( 0.2028927 0.2028927 0.5000000), wk = 0.0046296 k( 85) = ( 0.1893665 0.1893665 0.5000000), wk = 0.0046296 k( 86) = ( 0.1758403 0.1758403 0.5000000), wk = 0.0046296 k( 87) = ( 0.1623141 0.1623141 0.5000000), wk = 0.0046296 k( 88) = ( 0.1487880 0.1487880 0.5000000), wk = 0.0046296 k( 89) = ( 0.1352618 0.1352618 0.5000000), wk = 0.0046296 k( 90) = ( 0.1217356 0.1217356 0.5000000), wk = 0.0046296 k( 91) = ( 0.1082094 0.1082094 0.5000000), wk = 0.0046296 k( 92) = ( 0.0946833 0.0946833 0.5000000), wk = 0.0046296 k( 93) = ( 0.0811571 0.0811571 0.5000000), wk = 0.0046296 k( 94) = ( 0.0676309 0.0676309 0.5000000), wk = 0.0046296 k( 95) = ( 0.0541047 0.0541047 0.5000000), wk = 0.0046296 k( 96) = ( 0.0405785 0.0405785 0.5000000), wk = 0.0046296 k( 97) = ( 0.0270524 0.0270524 0.5000000), wk = 0.0046296 k( 98) = ( 0.0135262 0.0135262 0.5000000), wk = 0.0046296 k( 99) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046296 k( 100) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046296 k( 101) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0046296 k( 102) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0046296 k( 103) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0046296 k( 104) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0046296 k( 105) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0046296 k( 106) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0046296 k( 107) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0046296 k( 108) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0046296 k( 109) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0046296 k( 110) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0046296 k( 111) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0046296 k( 112) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0046296 k( 113) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0046296 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 116) = ( -0.0217391 0.0217391 0.0000000), wk = 0.0046296 k( 117) = ( -0.0434783 0.0434783 0.0000000), wk = 0.0046296 k( 118) = ( -0.0652174 0.0652174 0.0000000), wk = 0.0046296 k( 119) = ( -0.0869565 0.0869565 0.0000000), wk = 0.0046296 k( 120) = ( -0.1086957 0.1086957 0.0000000), wk = 0.0046296 k( 121) = ( -0.1304348 0.1304348 0.0000000), wk = 0.0046296 k( 122) = ( -0.1521739 0.1521739 0.0000000), wk = 0.0046296 k( 123) = ( -0.1739130 0.1739130 0.0000000), wk = 0.0046296 k( 124) = ( -0.1956522 0.1956522 0.0000000), wk = 0.0046296 k( 125) = ( -0.2173913 0.2173913 0.0000000), wk = 0.0046296 k( 126) = ( -0.2391304 0.2391304 0.0000000), wk = 0.0046296 k( 127) = ( -0.2608696 0.2608696 0.0000000), wk = 0.0046296 k( 128) = ( -0.2826087 0.2826087 0.0000000), wk = 0.0046296 k( 129) = ( -0.3043478 0.3043478 0.0000000), wk = 0.0046296 k( 130) = ( -0.3260870 0.3260870 0.0000000), wk = 0.0046296 k( 131) = ( -0.3478261 0.3478261 0.0000000), wk = 0.0046296 k( 132) = ( -0.3695652 0.3695652 0.0000000), wk = 0.0046296 k( 133) = ( -0.3913044 0.3913043 -0.0000000), wk = 0.0046296 k( 134) = ( -0.4130435 0.4130435 -0.0000000), wk = 0.0046296 k( 135) = ( -0.4347826 0.4347826 0.0000000), wk = 0.0046296 k( 136) = ( -0.4565217 0.4565217 0.0000000), wk = 0.0046296 k( 137) = ( -0.4782609 0.4782609 0.0000000), wk = 0.0046296 k( 138) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0046296 k( 139) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0046296 k( 140) = ( -0.4865164 0.5134836 0.0000000), wk = 0.0046296 k( 141) = ( -0.4730329 0.5269672 0.0000000), wk = 0.0046296 k( 142) = ( -0.4595493 0.5404507 -0.0000000), wk = 0.0046296 k( 143) = ( -0.4460657 0.5539343 0.0000000), wk = 0.0046296 k( 144) = ( -0.4325821 0.5674179 0.0000000), wk = 0.0046296 k( 145) = ( -0.4190985 0.5809015 0.0000000), wk = 0.0046296 k( 146) = ( -0.4056150 0.5943850 0.0000000), wk = 0.0046296 k( 147) = ( -0.3921314 0.6078686 0.0000000), wk = 0.0046296 k( 148) = ( -0.3786478 0.6213522 -0.0000000), wk = 0.0046296 k( 149) = ( -0.3651642 0.6348358 -0.0000000), wk = 0.0046296 k( 150) = ( -0.3516807 0.6483193 0.0000000), wk = 0.0046296 k( 151) = ( -0.3516807 0.6483193 0.0000000), wk = 0.0046296 k( 152) = ( -0.3516807 0.6483193 0.0357143), wk = 0.0046296 k( 153) = ( -0.3516807 0.6483193 0.0714286), wk = 0.0046296 k( 154) = ( -0.3516807 0.6483193 0.1071429), wk = 0.0046296 k( 155) = ( -0.3516807 0.6483193 0.1428571), wk = 0.0046296 k( 156) = ( -0.3516807 0.6483193 0.1785714), wk = 0.0046296 k( 157) = ( -0.3516807 0.6483193 0.2142857), wk = 0.0046296 k( 158) = ( -0.3516807 0.6483193 0.2500000), wk = 0.0046296 k( 159) = ( -0.3516807 0.6483193 0.2857143), wk = 0.0046296 k( 160) = ( -0.3516807 0.6483193 0.3214286), wk = 0.0046296 k( 161) = ( -0.3516807 0.6483193 0.3571429), wk = 0.0046296 k( 162) = ( -0.3516807 0.6483193 0.3928571), wk = 0.0046296 k( 163) = ( -0.3516807 0.6483193 0.4285714), wk = 0.0046296 k( 164) = ( -0.3516807 0.6483193 0.4642857), wk = 0.0046296 k( 165) = ( -0.3516807 0.6483193 0.5000000), wk = 0.0046296 k( 166) = ( -0.3516807 0.6483193 0.5000000), wk = 0.0046296 k( 167) = ( -0.3651642 0.6348358 0.5000000), wk = 0.0046296 k( 168) = ( -0.3786478 0.6213522 0.5000000), wk = 0.0046296 k( 169) = ( -0.3921314 0.6078686 0.5000000), wk = 0.0046296 k( 170) = ( -0.4056150 0.5943850 0.5000000), wk = 0.0046296 k( 171) = ( -0.4190985 0.5809015 0.5000000), wk = 0.0046296 k( 172) = ( -0.4325821 0.5674179 0.5000000), wk = 0.0046296 k( 173) = ( -0.4460657 0.5539343 0.5000000), wk = 0.0046296 k( 174) = ( -0.4595493 0.5404507 0.5000000), wk = 0.0046296 k( 175) = ( -0.4730329 0.5269672 0.5000000), wk = 0.0046296 k( 176) = ( -0.4865164 0.5134836 0.5000000), wk = 0.0046296 k( 177) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 178) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 179) = ( -0.5000000 0.5000000 0.4642857), wk = 0.0046296 k( 180) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0046296 k( 181) = ( -0.5000000 0.5000000 0.3928571), wk = 0.0046296 k( 182) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0046296 k( 183) = ( -0.5000000 0.5000000 0.3214286), wk = 0.0046296 k( 184) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0046296 k( 185) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0046296 k( 186) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0046296 k( 187) = ( -0.5000000 0.5000000 0.1785714), wk = 0.0046296 k( 188) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0046296 k( 189) = ( -0.5000000 0.5000000 0.1071429), wk = 0.0046296 k( 190) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0046296 k( 191) = ( -0.5000000 0.5000000 0.0357143), wk = 0.0046296 k( 192) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0046296 k( 193) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046296 k( 194) = ( -0.0217391 0.0217391 0.5000000), wk = 0.0046296 k( 195) = ( -0.0434783 0.0434783 0.5000000), wk = 0.0046296 k( 196) = ( -0.0652174 0.0652174 0.5000000), wk = 0.0046296 k( 197) = ( -0.0869565 0.0869565 0.5000000), wk = 0.0046296 k( 198) = ( -0.1086957 0.1086957 0.5000000), wk = 0.0046296 k( 199) = ( -0.1304348 0.1304348 0.5000000), wk = 0.0046296 k( 200) = ( -0.1521739 0.1521739 0.5000000), wk = 0.0046296 k( 201) = ( -0.1739130 0.1739130 0.5000000), wk = 0.0046296 k( 202) = ( -0.1956522 0.1956522 0.5000000), wk = 0.0046296 k( 203) = ( -0.2173913 0.2173913 0.5000000), wk = 0.0046296 k( 204) = ( -0.2391304 0.2391304 0.5000000), wk = 0.0046296 k( 205) = ( -0.2608696 0.2608696 0.5000000), wk = 0.0046296 k( 206) = ( -0.2826087 0.2826087 0.5000000), wk = 0.0046296 k( 207) = ( -0.3043478 0.3043478 0.5000000), wk = 0.0046296 k( 208) = ( -0.3260870 0.3260870 0.5000000), wk = 0.0046296 k( 209) = ( -0.3478261 0.3478261 0.5000000), wk = 0.0046296 k( 210) = ( -0.3695652 0.3695652 0.5000000), wk = 0.0046296 k( 211) = ( -0.3913044 0.3913043 0.5000000), wk = 0.0046296 k( 212) = ( -0.4130435 0.4130435 0.5000000), wk = 0.0046296 k( 213) = ( -0.4347826 0.4347826 0.5000000), wk = 0.0046296 k( 214) = ( -0.4565217 0.4565217 0.5000000), wk = 0.0046296 k( 215) = ( -0.4782609 0.4782609 0.5000000), wk = 0.0046296 k( 216) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0046296 Dense grid: 478571 G-vectors FFT dimensions: ( 90, 90, 128) Smooth grid: 360149 G-vectors FFT dimensions: ( 81, 81, 120) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 11.59 Mb ( 2548, 298) NL pseudopotentials 9.64 Mb ( 1274, 496) Each V/rho on FFT grid 0.49 Mb ( 32400) Each G-vector array 0.10 Mb ( 13294) G-vector shells 0.05 Mb ( 6651) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 46.34 Mb ( 2548, 1192) Each subspace H/S matrix 1.36 Mb ( 298, 298) Each matrix 4.51 Mb ( 496, 2, 298) The potential is recalculated from file : ./Na2In.save/charge-density.dat Starting wfc are 304 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 38.0 secs Computing kpt #: 2 total cpu time spent up to now is 71.5 secs Computing kpt #: 3 total cpu time spent up to now is 108.5 secs Computing kpt #: 4 total cpu time spent up to now is 144.2 secs Computing kpt #: 5 total cpu time spent up to now is 178.8 secs Computing kpt #: 6 total cpu time spent up to now is 213.8 secs Computing kpt #: 7 total cpu time spent up to now is 249.1 secs Computing kpt #: 8 total cpu time spent up to now is 284.2 secs Computing kpt #: 9 total cpu time spent up to now is 321.0 secs Computing kpt #: 10 total cpu time spent up to now is 357.7 secs Computing kpt #: 11 total cpu time spent up to now is 393.7 secs Computing kpt #: 12 total cpu time spent up to now is 428.3 secs Computing kpt #: 13 total cpu time spent up to now is 464.2 secs Computing kpt #: 14 total cpu time spent up to now is 497.0 secs Computing kpt #: 15 total cpu time spent up to now is 528.3 secs Computing kpt #: 16 total cpu time spent up to now is 560.5 secs Computing kpt #: 17 total cpu time spent up to now is 594.6 secs Computing kpt #: 18 total cpu time spent up to now is 628.1 secs Computing kpt #: 19 total cpu time spent up to now is 660.1 secs Computing kpt #: 20 total cpu time spent up to now is 692.2 secs Computing kpt #: 21 total cpu time spent up to now is 725.0 secs Computing kpt #: 22 total cpu time spent up to now is 763.5 secs Computing kpt #: 23 total cpu time spent up to now is 801.0 secs Computing kpt #: 24 total cpu time spent up to now is 836.8 secs Computing kpt #: 25 total cpu time spent up to now is 869.2 secs Computing kpt #: 26 total cpu time spent up to now is 907.3 secs Computing kpt #: 27 total cpu time spent up to now is 942.7 secs Computing kpt #: 28 total cpu time spent up to now is 978.4 secs Computing kpt #: 29 total cpu time spent up to now is 1015.2 secs Computing kpt #: 30 total cpu time spent up to now is 1049.3 secs Computing kpt #: 31 total cpu time spent up to now is 1085.5 secs Computing kpt #: 32 total cpu time spent up to now is 1120.0 secs Computing kpt #: 33 total cpu time spent up to now is 1155.4 secs Computing kpt #: 34 total cpu time spent up to now is 1191.7 secs Computing kpt #: 35 total cpu time spent up to now is 1226.7 secs Computing kpt #: 36 total cpu time spent up to now is 1260.1 secs Computing kpt #: 37 total cpu time spent up to now is 1295.3 secs Computing kpt #: 38 total cpu time spent up to now is 1330.2 secs Computing kpt #: 39 total cpu time spent up to now is 1364.7 secs Computing kpt #: 40 total cpu time spent up to now is 1399.9 secs Computing kpt #: 41 total cpu time spent up to now is 1435.6 secs Computing kpt #: 42 total cpu time spent up to now is 1470.3 secs Computing kpt #: 43 total cpu time spent up to now is 1504.8 secs Computing kpt #: 44 total cpu time spent up to now is 1544.7 secs Computing kpt #: 45 total cpu time spent up to now is 1580.9 secs Computing kpt #: 46 total cpu time spent up to now is 1616.5 secs Computing kpt #: 47 total cpu time spent up to now is 1650.2 secs Computing kpt #: 48 total cpu time spent up to now is 1684.8 secs Computing kpt #: 49 total cpu time spent up to now is 1719.6 secs Computing kpt #: 50 total cpu time spent up to now is 1756.0 secs Computing kpt #: 51 total cpu time spent up to now is 1790.8 secs Computing kpt #: 52 total cpu time spent up to now is 1826.4 secs Computing kpt #: 53 total cpu time spent up to now is 1861.5 secs Computing kpt #: 54 total cpu time spent up to now is 1896.5 secs Computing kpt #: 55 total cpu time spent up to now is 1930.8 secs Computing kpt #: 56 total cpu time spent up to now is 1965.5 secs Computing kpt #: 57 total cpu time spent up to now is 1999.1 secs Computing kpt #: 58 total cpu time spent up to now is 2035.1 secs Computing kpt #: 59 total cpu time spent up to now is 2071.2 secs Computing kpt #: 60 total cpu time spent up to now is 2107.0 secs Computing kpt #: 61 total cpu time spent up to now is 2142.1 secs Computing kpt #: 62 total cpu time spent up to now is 2178.2 secs Computing kpt #: 63 total cpu time spent up to now is 2213.5 secs Computing kpt #: 64 total cpu time spent up to now is 2246.4 secs Computing kpt #: 65 total cpu time spent up to now is 2279.6 secs Computing kpt #: 66 total cpu time spent up to now is 2313.8 secs Computing kpt #: 67 total cpu time spent up to now is 2345.9 secs Computing kpt #: 68 total cpu time spent up to now is 2381.3 secs Computing kpt #: 69 total cpu time spent up to now is 2415.9 secs Computing kpt #: 70 total cpu time spent up to now is 2450.7 secs Computing kpt #: 71 total cpu time spent up to now is 2487.4 secs Computing kpt #: 72 total cpu time spent up to now is 2526.0 secs Computing kpt #: 73 total cpu time spent up to now is 2563.1 secs Computing kpt #: 74 total cpu time spent up to now is 2597.4 secs Computing kpt #: 75 total cpu time spent up to now is 2631.6 secs Computing kpt #: 76 total cpu time spent up to now is 2667.9 secs Computing kpt #: 77 total cpu time spent up to now is 2704.1 secs Computing kpt #: 78 total cpu time spent up to now is 2737.9 secs Computing kpt #: 79 total cpu time spent up to now is 2772.5 secs Computing kpt #: 80 total cpu time spent up to now is 2808.2 secs Computing kpt #: 81 total cpu time spent up to now is 2847.5 secs Computing kpt #: 82 total cpu time spent up to now is 2884.7 secs Computing kpt #: 83 total cpu time spent up to now is 2921.6 secs Computing kpt #: 84 total cpu time spent up to now is 2958.7 secs Computing kpt #: 85 total cpu time spent up to now is 2995.8 secs Computing kpt #: 86 total cpu time spent up to now is 3036.5 secs Computing kpt #: 87 total cpu time spent up to now is 3078.9 secs Computing kpt #: 88 total cpu time spent up to now is 3119.6 secs Computing kpt #: 89 total cpu time spent up to now is 3158.1 secs Computing kpt #: 90 total cpu time spent up to now is 3195.1 secs Computing kpt #: 91 total cpu time spent up to now is 3231.2 secs Computing kpt #: 92 total cpu time spent up to now is 3266.3 secs Computing kpt #: 93 total cpu time spent up to now is 3301.6 secs Computing kpt #: 94 total cpu time spent up to now is 3334.6 secs Computing kpt #: 95 total cpu time spent up to now is 3371.4 secs Computing kpt #: 96 total cpu time spent up to now is 3404.1 secs Computing kpt #: 97 total cpu time spent up to now is 3437.8 secs Computing kpt #: 98 total cpu time spent up to now is 3473.5 secs Computing kpt #: 99 total cpu time spent up to now is 3508.0 secs Computing kpt #: 100 total cpu time spent up to now is 3544.2 secs Computing kpt #: 101 total cpu time spent up to now is 3583.4 secs Computing kpt #: 102 total cpu time spent up to now is 3621.4 secs Computing kpt #: 103 total cpu time spent up to now is 3662.4 secs Computing kpt #: 104 total cpu time spent up to now is 3702.0 secs Computing kpt #: 105 total cpu time spent up to now is 3741.0 secs Computing kpt #: 106 total cpu time spent up to now is 3775.7 secs Computing kpt #: 107 total cpu time spent up to now is 3811.3 secs Computing kpt #: 108 total cpu time spent up to now is 3850.0 secs Computing kpt #: 109 total cpu time spent up to now is 3889.5 secs Computing kpt #: 110 total cpu time spent up to now is 3926.6 secs Computing kpt #: 111 total cpu time spent up to now is 3964.5 secs Computing kpt #: 112 total cpu time spent up to now is 4000.7 secs Computing kpt #: 113 total cpu time spent up to now is 4033.8 secs Computing kpt #: 114 total cpu time spent up to now is 4070.7 secs Computing kpt #: 115 total cpu time spent up to now is 4107.2 secs Computing kpt #: 116 total cpu time spent up to now is 4147.0 secs Computing kpt #: 117 total cpu time spent up to now is 4184.8 secs Computing kpt #: 118 total cpu time spent up to now is 4225.3 secs Computing kpt #: 119 total cpu time spent up to now is 4269.3 secs Computing kpt #: 120 total cpu time spent up to now is 4309.5 secs Computing kpt #: 121 total cpu time spent up to now is 4347.5 secs Computing kpt #: 122 total cpu time spent up to now is 4383.8 secs Computing kpt #: 123 total cpu time spent up to now is 4417.7 secs Computing kpt #: 124 total cpu time spent up to now is 4449.4 secs Computing kpt #: 125 total cpu time spent up to now is 4483.2 secs Computing kpt #: 126 total cpu time spent up to now is 4516.8 secs Computing kpt #: 127 total cpu time spent up to now is 4550.9 secs Computing kpt #: 128 total cpu time spent up to now is 4584.8 secs Computing kpt #: 129 total cpu time spent up to now is 4620.6 secs Computing kpt #: 130 total cpu time spent up to now is 4655.3 secs Computing kpt #: 131 total cpu time spent up to now is 4694.1 secs Computing kpt #: 132 total cpu time spent up to now is 4730.4 secs Computing kpt #: 133 total cpu time spent up to now is 4767.2 secs Computing kpt #: 134 total cpu time spent up to now is 4803.1 secs Computing kpt #: 135 total cpu time spent up to now is 4838.0 secs Computing kpt #: 136 total cpu time spent up to now is 4873.0 secs Computing kpt #: 137 total cpu time spent up to now is 4908.4 secs Computing kpt #: 138 total cpu time spent up to now is 4944.5 secs Computing kpt #: 139 total cpu time spent up to now is 4979.2 secs Computing kpt #: 140 total cpu time spent up to now is 5014.6 secs Computing kpt #: 141 total cpu time spent up to now is 5051.4 secs Computing kpt #: 142 total cpu time spent up to now is 5085.7 secs Computing kpt #: 143 total cpu time spent up to now is 5121.2 secs Computing kpt #: 144 total cpu time spent up to now is 5158.7 secs Computing kpt #: 145 total cpu time spent up to now is 5194.6 secs Computing kpt #: 146 total cpu time spent up to now is 5229.8 secs Computing kpt #: 147 total cpu time spent up to now is 5266.7 secs Computing kpt #: 148 total cpu time spent up to now is 5302.4 secs Computing kpt #: 149 total cpu time spent up to now is 5338.8 secs Computing kpt #: 150 total cpu time spent up to now is 5373.7 secs Computing kpt #: 151 total cpu time spent up to now is 5410.4 secs Computing kpt #: 152 total cpu time spent up to now is 5446.9 secs Computing kpt #: 153 total cpu time spent up to now is 5483.3 secs Computing kpt #: 154 total cpu time spent up to now is 5517.0 secs Computing kpt #: 155 total cpu time spent up to now is 5551.5 secs Computing kpt #: 156 total cpu time spent up to now is 5585.6 secs Computing kpt #: 157 total cpu time spent up to now is 5620.1 secs Computing kpt #: 158 total cpu time spent up to now is 5655.1 secs Computing kpt #: 159 total cpu time spent up to now is 5688.4 secs Computing kpt #: 160 total cpu time spent up to now is 5721.7 secs Computing kpt #: 161 total cpu time spent up to now is 5754.0 secs Computing kpt #: 162 total cpu time spent up to now is 5786.6 secs Computing kpt #: 163 total cpu time spent up to now is 5820.7 secs Computing kpt #: 164 total cpu time spent up to now is 5856.2 secs Computing kpt #: 165 total cpu time spent up to now is 5892.6 secs Computing kpt #: 166 total cpu time spent up to now is 5928.2 secs Computing kpt #: 167 total cpu time spent up to now is 5963.0 secs Computing kpt #: 168 total cpu time spent up to now is 5997.7 secs Computing kpt #: 169 total cpu time spent up to now is 6032.3 secs Computing kpt #: 170 total cpu time spent up to now is 6068.2 secs Computing kpt #: 171 total cpu time spent up to now is 6102.3 secs Computing kpt #: 172 total cpu time spent up to now is 6136.4 secs Computing kpt #: 173 total cpu time spent up to now is 6169.8 secs Computing kpt #: 174 total cpu time spent up to now is 6203.9 secs Computing kpt #: 175 total cpu time spent up to now is 6238.6 secs Computing kpt #: 176 total cpu time spent up to now is 6273.2 secs Computing kpt #: 177 total cpu time spent up to now is 6308.2 secs Computing kpt #: 178 total cpu time spent up to now is 6342.1 secs Computing kpt #: 179 total cpu time spent up to now is 6376.2 secs Computing kpt #: 180 total cpu time spent up to now is 6411.3 secs Computing kpt #: 181 total cpu time spent up to now is 6445.0 secs Computing kpt #: 182 total cpu time spent up to now is 6478.5 secs Computing kpt #: 183 total cpu time spent up to now is 6513.4 secs Computing kpt #: 184 total cpu time spent up to now is 6549.1 secs Computing kpt #: 185 total cpu time spent up to now is 6586.8 secs Computing kpt #: 186 total cpu time spent up to now is 6621.1 secs Computing kpt #: 187 total cpu time spent up to now is 6655.1 secs Computing kpt #: 188 total cpu time spent up to now is 6689.5 secs Computing kpt #: 189 total cpu time spent up to now is 6724.8 secs Computing kpt #: 190 total cpu time spent up to now is 6761.8 secs Computing kpt #: 191 total cpu time spent up to now is 6796.4 secs Computing kpt #: 192 total cpu time spent up to now is 6829.4 secs Computing kpt #: 193 total cpu time spent up to now is 6863.0 secs Computing kpt #: 194 total cpu time spent up to now is 6897.4 secs Computing kpt #: 195 total cpu time spent up to now is 6932.3 secs Computing kpt #: 196 total cpu time spent up to now is 6967.6 secs Computing kpt #: 197 total cpu time spent up to now is 7002.7 secs Computing kpt #: 198 total cpu time spent up to now is 7039.2 secs Computing kpt #: 199 total cpu time spent up to now is 7074.8 secs Computing kpt #: 200 total cpu time spent up to now is 7112.7 secs Computing kpt #: 201 total cpu time spent up to now is 7151.3 secs Computing kpt #: 202 total cpu time spent up to now is 7184.5 secs Computing kpt #: 203 total cpu time spent up to now is 7222.4 secs Computing kpt #: 204 total cpu time spent up to now is 7261.6 secs Computing kpt #: 205 total cpu time spent up to now is 7297.4 secs Computing kpt #: 206 total cpu time spent up to now is 7332.9 secs Computing kpt #: 207 total cpu time spent up to now is 7368.2 secs Computing kpt #: 208 total cpu time spent up to now is 7401.9 secs Computing kpt #: 209 total cpu time spent up to now is 7436.1 secs Computing kpt #: 210 total cpu time spent up to now is 7471.5 secs Computing kpt #: 211 total cpu time spent up to now is 7508.8 secs Computing kpt #: 212 total cpu time spent up to now is 7546.6 secs Computing kpt #: 213 total cpu time spent up to now is 7581.0 secs Computing kpt #: 214 total cpu time spent up to now is 7614.9 secs Computing kpt #: 215 total cpu time spent up to now is 7651.8 secs Computing kpt #: 216 total cpu time spent up to now is 7689.0 secs ethr = 4.03E-09, avg # of iterations = 20.1 total cpu time spent up to now is 7689.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 45019 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6025 -20.6025 -20.6023 -20.6023 -20.6019 -20.6019 -20.6016 -20.6016 -20.5869 -20.5869 -20.5862 -20.5862 -20.5853 -20.5853 -20.5837 -20.5837 -20.4402 -20.4402 -20.4383 -20.4383 -20.4356 -20.4356 -20.4339 -20.4339 -20.4307 -20.4307 -20.4289 -20.4289 -20.4184 -20.4184 -20.4166 -20.4166 -20.4133 -20.4133 -20.4125 -20.4125 -20.4076 -20.4076 -20.4065 -20.4065 -20.4056 -20.4056 -20.4042 -20.4042 -20.3936 -20.3936 -20.3934 -20.3934 -20.3929 -20.3929 -20.3918 -20.3918 -20.3068 -20.3068 -20.3067 -20.3067 -20.3052 -20.3052 -20.3046 -20.3046 -20.2931 -20.2931 -20.2928 -20.2928 -20.2574 -20.2574 -20.2574 -20.2574 -20.2419 -20.2419 -20.2418 -20.2418 -20.1428 -20.1428 -20.1427 -20.1427 -20.1358 -20.1358 -20.1357 -20.1357 -20.1237 -20.1237 -20.1235 -20.1235 -20.1134 -20.1134 -20.1129 -20.1129 -20.1101 -20.1101 -20.1098 -20.1098 -20.0959 -20.0959 -20.0959 -20.0959 -10.4243 -10.4243 -10.4240 -10.4240 -10.4167 -10.4167 -10.4164 -10.4164 -10.4068 -10.4068 -10.4065 -10.4065 -10.3866 -10.3866 -10.3865 -10.3865 -10.3817 -10.3817 -10.3815 -10.3815 -10.3530 -10.3530 -10.3525 -10.3525 -10.3491 -10.3491 -10.3487 -10.3487 -10.3409 -10.3409 -10.3405 -10.3405 -9.5902 -9.5902 -9.5900 -9.5900 -9.5837 -9.5837 -9.5832 -9.5832 -9.5787 -9.5787 -9.5784 -9.5784 -9.5599 -9.5599 -9.5597 -9.5597 -9.5484 -9.5484 -9.5479 -9.5479 -9.5125 -9.5125 -9.5122 -9.5122 -9.5066 -9.5066 -9.5063 -9.5063 -9.4624 -9.4624 -9.4621 -9.4621 -9.4558 -9.4558 -9.4555 -9.4555 -9.4288 -9.4288 -9.4285 -9.4285 -9.3819 -9.3819 -9.3815 -9.3815 -9.3702 -9.3702 -9.3699 -9.3699 -2.8964 -2.8964 -2.6880 -2.6880 -0.4323 -0.4323 0.0390 0.0390 0.1014 0.1014 0.1384 0.1384 0.1745 0.1745 0.3396 0.3396 1.6625 1.6625 2.2638 2.2638 2.6085 2.6085 2.9882 2.9882 3.0797 3.0797 3.1991 3.1991 3.2708 3.2708 3.3519 3.3519 3.5816 3.5816 3.5995 3.5995 3.6513 3.6513 3.8014 3.8014 3.9972 3.9972 4.6479 4.6479 4.6742 4.6742 5.3174 5.3174 5.8313 5.8313 5.8545 5.8545 5.9355 5.9355 6.2413 6.2413 6.3525 6.3525 6.4618 6.4618 6.5653 6.5653 6.6763 6.6763 6.6850 6.6850 7.1628 7.1628 7.3774 7.3774 7.5283 7.5283 7.5378 7.5378 7.8055 7.8055 7.8162 7.8162 7.8973 7.8973 8.3465 8.3465 8.4410 8.4410 8.4582 8.4582 8.6347 8.6347 8.6868 8.6868 k = 0.0135 0.0212-0.0000 ( 44997 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5385 -48.5385 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6025 -20.6025 -20.6023 -20.6023 -20.6019 -20.6019 -20.6016 -20.6016 -20.5869 -20.5869 -20.5862 -20.5862 -20.5853 -20.5853 -20.5837 -20.5837 -20.4402 -20.4402 -20.4384 -20.4382 -20.4357 -20.4355 -20.4340 -20.4338 -20.4308 -20.4307 -20.4289 -20.4289 -20.4184 -20.4183 -20.4167 -20.4165 -20.4134 -20.4133 -20.4126 -20.4123 -20.4076 -20.4076 -20.4064 -20.4064 -20.4056 -20.4055 -20.4042 -20.4042 -20.3936 -20.3936 -20.3934 -20.3933 -20.3929 -20.3928 -20.3918 -20.3918 -20.3068 -20.3068 -20.3067 -20.3067 -20.3052 -20.3051 -20.3046 -20.3046 -20.2931 -20.2931 -20.2928 -20.2928 -20.2574 -20.2574 -20.2574 -20.2574 -20.2418 -20.2418 -20.2418 -20.2418 -20.1428 -20.1428 -20.1427 -20.1427 -20.1358 -20.1357 -20.1357 -20.1357 -20.1237 -20.1237 -20.1235 -20.1235 -20.1134 -20.1134 -20.1129 -20.1129 -20.1101 -20.1101 -20.1098 -20.1098 -20.0959 -20.0959 -20.0959 -20.0958 -10.4243 -10.4243 -10.4240 -10.4240 -10.4167 -10.4166 -10.4164 -10.4164 -10.4068 -10.4068 -10.4065 -10.4065 -10.3866 -10.3866 -10.3865 -10.3865 -10.3817 -10.3817 -10.3815 -10.3815 -10.3530 -10.3530 -10.3525 -10.3525 -10.3491 -10.3491 -10.3487 -10.3487 -10.3409 -10.3409 -10.3405 -10.3405 -9.5902 -9.5902 -9.5900 -9.5900 -9.5837 -9.5837 -9.5832 -9.5832 -9.5787 -9.5787 -9.5785 -9.5784 -9.5599 -9.5599 -9.5597 -9.5597 -9.5484 -9.5484 -9.5479 -9.5479 -9.5125 -9.5125 -9.5122 -9.5122 -9.5066 -9.5066 -9.5063 -9.5063 -9.4624 -9.4624 -9.4622 -9.4621 -9.4558 -9.4558 -9.4555 -9.4555 -9.4288 -9.4288 -9.4285 -9.4285 -9.3819 -9.3819 -9.3815 -9.3814 -9.3702 -9.3702 -9.3699 -9.3699 -2.8960 -2.8960 -2.6879 -2.6879 -0.4317 -0.4313 0.0353 0.0355 0.0965 0.0994 0.1385 0.1389 0.1740 0.1774 0.3379 0.3389 1.6670 1.6674 2.2667 2.2669 2.6086 2.6090 2.9697 2.9773 3.0846 3.1005 3.1998 3.2025 3.2674 3.2728 3.3456 3.3558 3.5651 3.5824 3.5927 3.6129 3.6382 3.6703 3.7935 3.7994 4.0185 4.0197 4.6512 4.6520 4.6757 4.6764 5.3143 5.3184 5.7700 5.7863 5.8620 5.8843 5.9523 5.9634 6.2371 6.2509 6.3491 6.3538 6.4206 6.4265 6.5494 6.5571 6.6561 6.6684 6.7329 6.7341 7.1441 7.1533 7.3810 7.3881 7.4552 7.4633 7.6301 7.6323 7.7168 7.7171 7.8418 7.8688 7.9234 7.9581 8.3314 8.3379 8.3799 8.3896 8.5145 8.5268 8.6028 8.6190 8.6605 8.6614 k = 0.0271 0.0424-0.0000 ( 44985 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5385 -48.5385 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6025 -20.6025 -20.6023 -20.6023 -20.6019 -20.6019 -20.6016 -20.6015 -20.5869 -20.5869 -20.5862 -20.5862 -20.5853 -20.5852 -20.5837 -20.5837 -20.4402 -20.4402 -20.4385 -20.4382 -20.4358 -20.4354 -20.4341 -20.4337 -20.4308 -20.4306 -20.4289 -20.4289 -20.4185 -20.4182 -20.4167 -20.4165 -20.4134 -20.4133 -20.4128 -20.4122 -20.4076 -20.4075 -20.4064 -20.4064 -20.4056 -20.4055 -20.4043 -20.4041 -20.3937 -20.3936 -20.3935 -20.3933 -20.3929 -20.3928 -20.3919 -20.3917 -20.3068 -20.3068 -20.3067 -20.3067 -20.3052 -20.3051 -20.3046 -20.3046 -20.2931 -20.2931 -20.2928 -20.2928 -20.2574 -20.2574 -20.2574 -20.2574 -20.2418 -20.2418 -20.2418 -20.2418 -20.1429 -20.1428 -20.1427 -20.1427 -20.1357 -20.1357 -20.1357 -20.1357 -20.1237 -20.1237 -20.1235 -20.1235 -20.1134 -20.1134 -20.1129 -20.1129 -20.1101 -20.1100 -20.1098 -20.1098 -20.0959 -20.0959 -20.0958 -20.0958 -10.4243 -10.4242 -10.4240 -10.4240 -10.4167 -10.4166 -10.4164 -10.4164 -10.4068 -10.4068 -10.4065 -10.4065 -10.3866 -10.3866 -10.3865 -10.3865 -10.3817 -10.3817 -10.3815 -10.3815 -10.3530 -10.3530 -10.3525 -10.3525 -10.3491 -10.3491 -10.3487 -10.3487 -10.3409 -10.3409 -10.3405 -10.3405 -9.5902 -9.5902 -9.5900 -9.5900 -9.5837 -9.5837 -9.5833 -9.5832 -9.5787 -9.5787 -9.5785 -9.5784 -9.5599 -9.5599 -9.5597 -9.5596 -9.5484 -9.5484 -9.5479 -9.5479 -9.5125 -9.5125 -9.5123 -9.5121 -9.5066 -9.5066 -9.5063 -9.5063 -9.4625 -9.4624 -9.4622 -9.4621 -9.4559 -9.4558 -9.4556 -9.4554 -9.4288 -9.4288 -9.4285 -9.4285 -9.3819 -9.3819 -9.3815 -9.3814 -9.3702 -9.3702 -9.3699 -9.3699 -2.8947 -2.8947 -2.6877 -2.6876 -0.4293 -0.4286 0.0249 0.0252 0.0861 0.0909 0.1391 0.1400 0.1756 0.1814 0.3340 0.3358 1.6809 1.6816 2.2754 2.2759 2.6093 2.6101 2.9378 2.9466 3.1044 3.1317 3.2023 3.2100 3.2641 3.2735 3.3392 3.3561 3.5508 3.5598 3.5777 3.6238 3.6482 3.6951 3.7851 3.7965 4.0726 4.0744 4.6614 4.6635 4.6806 4.6827 5.3093 5.3173 5.6967 5.7104 5.8499 5.8760 5.9950 6.0155 6.2350 6.2643 6.3254 6.3317 6.3633 6.3676 6.5063 6.5297 6.6441 6.6631 6.8097 6.8167 7.1018 7.1187 7.3853 7.4097 7.4167 7.4199 7.6284 7.6348 7.7435 7.7445 7.8364 7.8481 7.9956 8.0294 8.2669 8.2861 8.3680 8.3744 8.5320 8.5462 8.5892 8.5930 8.7001 8.7087 k = 0.0406 0.0636-0.0000 ( 44993 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5385 -48.5385 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6025 -20.6024 -20.6024 -20.6023 -20.6019 -20.6019 -20.6016 -20.6015 -20.5869 -20.5869 -20.5862 -20.5862 -20.5852 -20.5852 -20.5837 -20.5837 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8.6185 8.6456 8.6700 8.6722 k = 0.0541 0.0848-0.0000 ( 45009 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5385 -48.5385 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 -20.6024 -20.6024 -20.6022 -20.6019 -20.6019 -20.6016 -20.6015 -20.5869 -20.5868 -20.5862 -20.5862 -20.5852 -20.5852 -20.5837 -20.5837 -20.4403 -20.4401 -20.4387 -20.4380 -20.4360 -20.4351 -20.4344 -20.4335 -20.4310 -20.4305 -20.4290 -20.4289 -20.4186 -20.4180 -20.4168 -20.4163 -20.4135 -20.4134 -20.4131 -20.4120 -20.4076 -20.4074 -20.4064 -20.4063 -20.4057 -20.4055 -20.4044 -20.4041 -20.3938 -20.3937 -20.3935 -20.3932 -20.3929 -20.3927 -20.3920 -20.3917 -20.3068 -20.3068 -20.3068 -20.3066 -20.3052 -20.3051 -20.3046 -20.3046 -20.2931 -20.2931 -20.2929 -20.2928 -20.2574 -20.2574 -20.2574 -20.2574 -20.2418 -20.2418 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0.1780 0.1862 0.3196 0.3230 1.7338 1.7354 2.3096 2.3106 2.6132 2.6146 2.8659 2.8736 3.1276 3.1794 3.1963 3.2353 3.2727 3.2826 3.3416 3.3479 3.4916 3.5041 3.5756 3.6305 3.7198 3.7593 3.7963 3.8163 4.2250 4.2281 4.6936 4.7002 4.7091 4.7165 5.2952 5.3101 5.5391 5.5494 5.7837 5.8171 6.0249 6.0425 6.1410 6.1452 6.2726 6.2873 6.3590 6.3698 6.4116 6.4587 6.5925 6.6203 6.9834 6.9903 7.0073 7.0232 7.3616 7.3795 7.4652 7.4729 7.5404 7.5475 7.7132 7.7228 7.9890 8.0215 8.0384 8.0384 8.1227 8.1421 8.3024 8.3081 8.5280 8.5619 8.6390 8.6555 8.7305 8.7435 k = 0.0676 0.1060-0.0000 ( 44993 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5385 -48.5385 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 -20.6024 -20.6024 -20.6022 -20.6019 -20.6018 -20.6016 -20.6015 -20.5869 -20.5868 -20.5862 -20.5862 -20.5852 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8.2079 8.2651 8.2662 8.4398 8.4675 8.7811 8.7873 8.8078 8.8155 k = 0.0812 0.1273-0.0000 ( 45001 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5385 -48.5385 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 -20.6024 -20.6024 -20.6022 -20.6019 -20.6018 -20.6017 -20.6016 -20.5869 -20.5868 -20.5862 -20.5862 -20.5851 -20.5851 -20.5838 -20.5837 -20.4403 -20.4401 -20.4388 -20.4378 -20.4361 -20.4349 -20.4345 -20.4333 -20.4311 -20.4304 -20.4291 -20.4290 -20.4186 -20.4179 -20.4167 -20.4161 -20.4136 -20.4135 -20.4134 -20.4119 -20.4076 -20.4073 -20.4063 -20.4062 -20.4058 -20.4055 -20.4046 -20.4041 -20.3938 -20.3938 -20.3936 -20.3931 -20.3928 -20.3926 -20.3920 -20.3916 -20.3068 -20.3068 -20.3067 -20.3066 -20.3052 -20.3051 -20.3047 -20.3046 -20.2931 -20.2931 -20.2929 -20.2928 -20.2574 -20.2574 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-0.0647 0.0152 0.0213 0.1424 0.1456 0.1728 0.1818 0.2976 0.3018 1.8140 1.8164 2.3632 2.3645 2.6228 2.6244 2.7980 2.8048 3.0863 3.1096 3.2382 3.2557 3.2929 3.3413 3.3509 3.3851 3.4399 3.4655 3.6097 3.6586 3.8016 3.8349 3.8380 3.8636 4.4019 4.4069 4.7306 4.7337 4.7824 4.7886 5.2789 5.2988 5.3741 5.3820 5.6953 5.7331 5.8357 5.8419 6.0361 6.0620 6.2544 6.2594 6.3488 6.3583 6.4379 6.4553 6.5107 6.5158 6.9514 6.9532 7.1687 7.1831 7.3813 7.3940 7.4568 7.4598 7.5834 7.6014 7.6088 7.6142 7.8927 7.8995 7.9342 7.9682 8.1416 8.1427 8.3493 8.3729 8.4100 8.4148 8.8357 8.8707 8.9358 8.9451 k = 0.0947 0.1485-0.0000 ( 44989 PWs) bands (ev): -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5385 -48.5385 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 -20.6024 -20.6024 -20.6021 -20.6019 -20.6018 -20.6017 -20.6016 -20.5869 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7.8056 7.8116 7.9162 7.9508 8.0706 8.0717 8.2667 8.2862 8.5684 8.5758 8.8600 8.8847 8.9870 8.9881 k = 0.1082 0.1697-0.0000 ( 44981 PWs) bands (ev): -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5385 -48.5385 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 -20.6024 -20.6024 -20.6021 -20.6019 -20.6018 -20.6017 -20.6016 -20.5869 -20.5868 -20.5863 -20.5863 -20.5850 -20.5850 -20.5839 -20.5838 -20.4403 -20.4400 -20.4390 -20.4377 -20.4362 -20.4347 -20.4346 -20.4331 -20.4312 -20.4303 -20.4292 -20.4290 -20.4186 -20.4177 -20.4166 -20.4160 -20.4140 -20.4137 -20.4135 -20.4118 -20.4075 -20.4071 -20.4062 -20.4060 -20.4059 -20.4056 -20.4047 -20.4041 -20.3939 -20.3938 -20.3936 -20.3931 -20.3927 -20.3925 -20.3921 -20.3916 -20.3068 -20.3067 -20.3067 -20.3065 -20.3053 -20.3051 -20.3047 -20.3046 -20.2931 -20.2930 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-2.6837 -2.6836 -0.3820 -0.3786 -0.1262 -0.1259 -0.0260 -0.0200 0.1416 0.1460 0.1575 0.1663 0.2695 0.2737 1.9109 1.9142 2.4310 2.4325 2.6411 2.6424 2.7427 2.7494 2.9987 3.0095 3.2479 3.2525 3.3609 3.3942 3.4200 3.4229 3.4533 3.4538 3.6566 3.6986 3.8845 3.8970 3.9137 3.9261 4.5882 4.5961 4.7792 4.7800 4.8787 4.8873 5.1965 5.2021 5.2675 5.2900 5.5747 5.5988 5.6375 5.6414 5.9218 5.9376 6.1301 6.1415 6.3253 6.3281 6.4615 6.4739 6.5054 6.5227 6.9329 6.9548 7.3199 7.3365 7.3914 7.3937 7.4017 7.4137 7.5079 7.5191 7.7035 7.7135 7.7275 7.7393 7.9130 7.9491 8.0098 8.0137 8.1980 8.2133 8.7137 8.7262 8.8471 8.8499 8.9467 8.9520 k = 0.1217 0.1909-0.0000 ( 44977 PWs) bands (ev): -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 -20.6024 -20.6024 -20.6021 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7.3955 7.4076 7.4838 7.5072 7.6722 7.6730 7.7536 7.7643 7.9151 7.9547 7.9779 7.9911 8.1524 8.1632 8.7837 8.7941 8.8236 8.8395 8.8736 8.8878 k = 0.1353 0.2121-0.0000 ( 45016 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6027 -20.6024 -20.6024 -20.6021 -20.6019 -20.6018 -20.6017 -20.6016 -20.5869 -20.5867 -20.5864 -20.5863 -20.5849 -20.5849 -20.5840 -20.5839 -20.4403 -20.4399 -20.4391 -20.4375 -20.4363 -20.4348 -20.4344 -20.4330 -20.4314 -20.4303 -20.4293 -20.4291 -20.4185 -20.4176 -20.4165 -20.4159 -20.4144 -20.4138 -20.4137 -20.4119 -20.4074 -20.4070 -20.4061 -20.4061 -20.4058 -20.4057 -20.4049 -20.4042 -20.3939 -20.3939 -20.3937 -20.3931 -20.3926 -20.3925 -20.3921 -20.3916 -20.3068 -20.3068 -20.3067 -20.3065 -20.3053 -20.3052 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-9.3700 -9.3699 -2.8572 -2.8572 -2.6821 -2.6820 -0.3548 -0.3501 -0.1897 -0.1896 -0.0654 -0.0595 0.1319 0.1373 0.1414 0.1447 0.2372 0.2406 2.0120 2.0161 2.5061 2.5076 2.6720 2.6721 2.7058 2.7136 2.9000 2.9052 3.2456 3.2547 3.3935 3.4366 3.4782 3.4892 3.5093 3.5337 3.7044 3.7412 3.9618 3.9663 3.9882 3.9970 4.7690 4.7826 4.8370 4.8416 4.9759 4.9931 5.0118 5.0151 5.2514 5.2761 5.4084 5.4119 5.5173 5.5370 5.8041 5.8136 5.9829 5.9967 6.2734 6.2921 6.4676 6.4873 6.5412 6.5589 6.9191 6.9592 7.2859 7.2871 7.3250 7.3590 7.4093 7.4241 7.4575 7.4771 7.6634 7.6660 7.7616 7.7837 7.9206 7.9546 8.0062 8.0217 8.1379 8.1445 8.7077 8.7245 8.7835 8.7896 8.8189 8.8302 k = 0.1488 0.2333-0.0000 ( 44994 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 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6.9088 6.9551 7.2202 7.2215 7.2805 7.3218 7.3786 7.4075 7.4444 7.4483 7.6936 7.7006 7.7421 7.7712 7.9438 7.9801 8.0615 8.0829 8.1573 8.1603 8.6267 8.6451 8.6874 8.6985 8.7453 8.7632 k = 0.1623 0.2545-0.0000 ( 44984 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6027 -20.6024 -20.6024 -20.6020 -20.6020 -20.6018 -20.6017 -20.6016 -20.5868 -20.5867 -20.5864 -20.5864 -20.5848 -20.5848 -20.5840 -20.5839 -20.4403 -20.4398 -20.4392 -20.4374 -20.4363 -20.4349 -20.4342 -20.4329 -20.4315 -20.4302 -20.4295 -20.4291 -20.4182 -20.4174 -20.4164 -20.4160 -20.4147 -20.4139 -20.4138 -20.4119 -20.4073 -20.4068 -20.4062 -20.4060 -20.4058 -20.4056 -20.4051 -20.4042 -20.3940 -20.3939 -20.3937 -20.3931 -20.3924 -20.3924 -20.3921 -20.3915 -20.3068 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-9.3820 -9.3817 -9.3817 -9.3814 -9.3702 -9.3701 -9.3700 -9.3699 -2.8422 -2.8421 -2.6810 -2.6808 -0.3232 -0.3167 -0.2511 -0.2504 -0.1003 -0.0943 0.0979 0.1042 0.1338 0.1405 0.2023 0.2045 2.1037 2.1083 2.5792 2.5800 2.6826 2.6864 2.7210 2.7240 2.8225 2.8228 3.2527 3.2621 3.3969 3.4434 3.5628 3.5713 3.6151 3.6221 3.7511 3.7843 4.0281 4.0393 4.0553 4.0720 4.7706 4.7808 4.8791 4.8971 4.9694 4.9760 5.0544 5.0744 5.2086 5.2303 5.3235 5.3262 5.4532 5.4703 5.7091 5.7156 5.8943 5.9062 6.1944 6.2282 6.4769 6.4953 6.5305 6.5557 6.8955 6.9463 7.1486 7.1491 7.2336 7.2737 7.3247 7.3504 7.4425 7.4435 7.7144 7.7335 7.7556 7.7598 7.9723 8.0093 8.1343 8.1569 8.2054 8.2056 8.5448 8.5623 8.5926 8.6072 8.6647 8.6846 k = 0.1758 0.2757-0.0000 ( 44978 PWs) bands (ev): -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6027 -20.6024 -20.6024 -20.6020 -20.6020 -20.6018 -20.6017 -20.6016 -20.5868 -20.5866 -20.5865 -20.5864 -20.5847 -20.5847 -20.5841 -20.5840 -20.4403 -20.4398 -20.4393 -20.4373 -20.4363 -20.4349 -20.4341 -20.4329 -20.4315 -20.4302 -20.4295 -20.4292 -20.4181 -20.4174 -20.4163 -20.4161 -20.4148 -20.4139 -20.4138 -20.4120 -20.4072 -20.4068 -20.4063 -20.4059 -20.4059 -20.4055 -20.4051 -20.4042 -20.3940 -20.3939 -20.3937 -20.3931 -20.3924 -20.3923 -20.3921 -20.3916 -20.3068 -20.3068 -20.3066 -20.3064 -20.3053 -20.3052 -20.3048 -20.3047 -20.2931 -20.2930 -20.2929 -20.2928 -20.2574 -20.2574 -20.2574 -20.2573 -20.2418 -20.2418 -20.2418 -20.2418 -20.1428 -20.1427 -20.1426 -20.1426 -20.1358 -20.1357 -20.1357 -20.1356 -20.1238 -20.1237 -20.1236 -20.1236 -20.1134 -20.1134 -20.1129 -20.1129 -20.1101 -20.1101 -20.1098 -20.1097 -20.0959 -20.0959 -20.0958 -20.0958 -10.4241 -10.4241 -10.4239 -10.4239 -10.4167 -10.4165 -10.4165 -10.4164 -10.4068 -10.4068 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6.1438 6.1842 6.4718 6.4901 6.5119 6.5388 6.8790 6.9337 7.0712 7.0741 7.1805 7.2120 7.2775 7.2956 7.4413 7.4434 7.6937 7.7242 7.8090 7.8153 7.9927 8.0275 8.2136 8.2330 8.2680 8.2736 8.4647 8.4760 8.5079 8.5281 8.5821 8.6019 k = 0.1894 0.2969-0.0000 ( 44982 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6027 -20.6024 -20.6024 -20.6020 -20.6020 -20.6018 -20.6017 -20.6016 -20.5868 -20.5866 -20.5865 -20.5864 -20.5847 -20.5847 -20.5842 -20.5840 -20.4402 -20.4398 -20.4393 -20.4373 -20.4362 -20.4350 -20.4340 -20.4329 -20.4316 -20.4302 -20.4296 -20.4292 -20.4180 -20.4173 -20.4163 -20.4163 -20.4149 -20.4139 -20.4139 -20.4121 -20.4071 -20.4067 -20.4063 -20.4059 -20.4058 -20.4054 -20.4052 -20.4042 -20.3941 -20.3938 -20.3937 -20.3931 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-9.4553 -9.4288 -9.4288 -9.4285 -9.4284 -9.3820 -9.3818 -9.3817 -9.3814 -9.3701 -9.3701 -9.3700 -9.3699 -2.8261 -2.8260 -2.6806 -2.6804 -0.3111 -0.3068 -0.2820 -0.2790 -0.1288 -0.1225 0.0570 0.0623 0.1259 0.1337 0.1663 0.1677 2.1748 2.1796 2.6234 2.6321 2.6449 2.6561 2.7876 2.7903 2.8173 2.8228 3.2698 3.2791 3.3972 3.4457 3.6226 3.6430 3.6926 3.6964 3.8294 3.8525 4.0787 4.0934 4.1273 4.1432 4.5782 4.5927 4.8782 4.9090 4.9677 4.9750 5.1064 5.1613 5.2099 5.2261 5.3403 5.3426 5.4844 5.4976 5.6838 5.6850 5.8757 5.8832 6.0874 6.1336 6.4504 6.4741 6.4932 6.5142 6.8569 6.9189 6.9892 7.0025 7.1201 7.1427 7.2385 7.2506 7.4454 7.4504 7.6794 7.7113 7.8696 7.8764 7.9949 8.0248 8.2808 8.2972 8.3196 8.3421 8.3931 8.4056 8.4506 8.4762 8.5045 8.5211 k = 0.2029 0.3181-0.0000 ( 44980 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6027 -20.6024 -20.6023 -20.6021 -20.6020 -20.6018 -20.6016 -20.6015 -20.5868 -20.5866 -20.5866 -20.5865 -20.5846 -20.5846 -20.5842 -20.5841 -20.4402 -20.4397 -20.4394 -20.4372 -20.4362 -20.4350 -20.4340 -20.4329 -20.4316 -20.4302 -20.4297 -20.4292 -20.4178 -20.4172 -20.4165 -20.4162 -20.4149 -20.4140 -20.4138 -20.4121 -20.4071 -20.4067 -20.4064 -20.4060 -20.4058 -20.4053 -20.4053 -20.4043 -20.3941 -20.3938 -20.3937 -20.3931 -20.3923 -20.3923 -20.3921 -20.3916 -20.3068 -20.3067 -20.3065 -20.3063 -20.3054 -20.3053 -20.3049 -20.3048 -20.2931 -20.2930 -20.2929 -20.2928 -20.2574 -20.2574 -20.2574 -20.2573 -20.2419 -20.2418 -20.2418 -20.2418 -20.1428 -20.1426 -20.1426 -20.1426 -20.1358 -20.1357 -20.1357 -20.1356 -20.1239 -20.1237 -20.1236 -20.1236 -20.1134 -20.1134 -20.1130 -20.1129 -20.1101 -20.1101 -20.1098 -20.1097 -20.0959 -20.0959 -20.0958 -20.0958 -10.4241 -10.4241 -10.4239 -10.4238 -10.4167 -10.4166 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5.5404 5.7130 5.7175 5.8871 5.8923 6.0273 6.0790 6.4127 6.4443 6.4744 6.4845 6.8193 6.8960 6.9121 6.9467 7.0559 7.0722 7.2066 7.2161 7.4564 7.4638 7.6708 7.7026 7.9269 7.9278 7.9797 7.9947 8.2594 8.2786 8.3109 8.3228 8.4226 8.4359 8.4406 8.4451 8.4578 8.4825 k = 0.2164 0.3393-0.0000 ( 44962 PWs) bands (ev): -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6028 -20.6024 -20.6023 -20.6021 -20.6020 -20.6018 -20.6016 -20.6015 -20.5867 -20.5866 -20.5866 -20.5865 -20.5845 -20.5845 -20.5843 -20.5841 -20.4402 -20.4397 -20.4394 -20.4371 -20.4362 -20.4349 -20.4339 -20.4329 -20.4317 -20.4302 -20.4297 -20.4292 -20.4177 -20.4171 -20.4166 -20.4162 -20.4150 -20.4140 -20.4138 -20.4122 -20.4070 -20.4066 -20.4064 -20.4061 -20.4057 -20.4052 -20.4051 -20.4042 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-9.4623 -9.4620 -9.4561 -9.4560 -9.4557 -9.4554 -9.4288 -9.4288 -9.4285 -9.4284 -9.3820 -9.3818 -9.3817 -9.3814 -9.3701 -9.3700 -9.3700 -9.3699 -2.8096 -2.8095 -2.6811 -2.6809 -0.3554 -0.3539 -0.2463 -0.2385 -0.1500 -0.1428 0.0119 0.0166 0.1154 0.1217 0.1307 0.1345 2.2235 2.2280 2.5576 2.5593 2.6975 2.7006 2.8643 2.8709 2.8922 2.8996 3.2956 3.3058 3.3924 3.4417 3.6472 3.6719 3.7048 3.7135 3.9589 3.9680 4.1103 4.1225 4.1769 4.1773 4.4524 4.4843 4.8019 4.8341 4.8945 4.9052 5.1156 5.1678 5.3173 5.3184 5.3849 5.4054 5.5856 5.5977 5.7652 5.7771 5.9057 5.9115 5.9697 6.0255 6.3656 6.4025 6.4493 6.4496 6.7563 6.8141 6.8924 6.9184 6.9932 7.0039 7.1818 7.1910 7.4722 7.4817 7.6645 7.6949 7.9112 7.9422 7.9773 8.0008 8.1751 8.1831 8.2840 8.3016 8.3659 8.3805 8.4702 8.4748 8.4992 8.5072 k = 0.2299 0.3606-0.0000 ( 44972 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6028 -20.6024 -20.6023 -20.6021 -20.6020 -20.6018 -20.6015 -20.6014 -20.5867 -20.5866 -20.5866 -20.5865 -20.5845 -20.5844 -20.5843 -20.5842 -20.4402 -20.4396 -20.4394 -20.4371 -20.4361 -20.4349 -20.4339 -20.4329 -20.4317 -20.4303 -20.4298 -20.4293 -20.4176 -20.4170 -20.4168 -20.4163 -20.4151 -20.4140 -20.4137 -20.4123 -20.4069 -20.4067 -20.4064 -20.4062 -20.4058 -20.4052 -20.4051 -20.4042 -20.3942 -20.3938 -20.3937 -20.3932 -20.3922 -20.3922 -20.3921 -20.3916 -20.3068 -20.3067 -20.3065 -20.3063 -20.3054 -20.3053 -20.3049 -20.3048 -20.2932 -20.2929 -20.2928 -20.2928 -20.2574 -20.2574 -20.2573 -20.2573 -20.2418 -20.2418 -20.2418 -20.2418 -20.1427 -20.1426 -20.1426 -20.1426 -20.1358 -20.1357 -20.1357 -20.1356 -20.1239 -20.1237 -20.1236 -20.1236 -20.1134 -20.1134 -20.1130 -20.1128 -20.1101 -20.1101 -20.1098 -20.1097 -20.0959 -20.0959 -20.0958 -20.0958 -10.4241 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5.1345 5.1866 5.2905 5.2972 5.4681 5.4847 5.6545 5.6669 5.8216 5.8413 5.9008 5.9374 5.9557 5.9866 6.3140 6.3542 6.4082 6.4159 6.6772 6.7265 6.8737 6.9092 6.9398 6.9407 7.1638 7.1742 7.4894 7.5013 7.6546 7.6815 7.8599 7.8846 7.9944 8.0168 8.1058 8.1093 8.2426 8.2620 8.3117 8.3247 8.4356 8.4363 8.4866 8.4920 k = 0.2435 0.3818-0.0000 ( 44972 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6028 -20.6024 -20.6023 -20.6021 -20.6020 -20.6018 -20.6015 -20.6014 -20.5867 -20.5867 -20.5866 -20.5865 -20.5844 -20.5844 -20.5843 -20.5843 -20.4402 -20.4396 -20.4395 -20.4371 -20.4361 -20.4349 -20.4339 -20.4329 -20.4317 -20.4303 -20.4299 -20.4293 -20.4174 -20.4170 -20.4170 -20.4163 -20.4151 -20.4141 -20.4137 -20.4123 -20.4068 -20.4067 -20.4064 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4.5315 4.5672 4.7542 4.7762 4.8141 4.8320 5.1675 5.2128 5.2524 5.2607 5.6008 5.6036 5.7580 5.8172 5.8341 5.8391 5.9912 6.0037 6.0422 6.0645 6.2194 6.2690 6.3088 6.3275 6.5125 6.5620 6.7938 6.8309 6.9001 6.9095 7.1414 7.1584 7.5080 7.5299 7.5942 7.6050 7.7827 7.8082 7.8547 7.8606 8.0998 8.1176 8.1492 8.1709 8.2390 8.2508 8.2959 8.2998 8.4213 8.4398 k = 0.2705 0.4242-0.0000 ( 44982 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6029 -20.6025 -20.6024 -20.6021 -20.6021 -20.6017 -20.6014 -20.6013 -20.5868 -20.5866 -20.5866 -20.5865 -20.5845 -20.5844 -20.5843 -20.5842 -20.4401 -20.4395 -20.4395 -20.4370 -20.4360 -20.4348 -20.4339 -20.4329 -20.4317 -20.4304 -20.4301 -20.4294 -20.4176 -20.4170 -20.4168 -20.4164 -20.4152 -20.4141 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3.6284 4.0374 4.0396 4.0997 4.1130 4.2173 4.2190 4.6508 4.6758 4.7839 4.8146 4.8707 4.8841 5.1598 5.1725 5.2789 5.3004 5.6054 5.6078 5.7382 5.8035 5.9982 6.0021 6.0190 6.0397 6.0981 6.1306 6.2027 6.2205 6.2734 6.3219 6.3985 6.4518 6.7228 6.7598 6.8877 6.9080 7.1188 7.1499 7.4601 7.4896 7.5028 7.5131 7.7003 7.7065 7.7453 7.7687 8.0630 8.0768 8.0897 8.1100 8.1847 8.1887 8.2646 8.2699 8.3466 8.3583 k = 0.2976 0.4666-0.0000 ( 44990 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6029 -20.6026 -20.6024 -20.6022 -20.6021 -20.6017 -20.6013 -20.6012 -20.5868 -20.5867 -20.5865 -20.5864 -20.5847 -20.5846 -20.5841 -20.5841 -20.4400 -20.4395 -20.4394 -20.4370 -20.4358 -20.4347 -20.4340 -20.4330 -20.4317 -20.4305 -20.4302 -20.4295 -20.4179 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3.3679 3.4053 3.4532 3.4687 3.4887 3.5809 3.5910 3.9797 3.9821 4.0848 4.0911 4.2446 4.2493 4.7539 4.7590 4.7836 4.8349 5.0637 5.0734 5.1415 5.1504 5.3236 5.3545 5.5542 5.5708 5.7160 5.7608 5.9172 5.9396 6.0417 6.0673 6.1055 6.1389 6.2154 6.2365 6.4123 6.4185 6.4391 6.4856 6.7253 6.7479 6.8828 6.8990 7.0636 7.1081 7.3805 7.4092 7.4192 7.4410 7.5933 7.5984 7.7007 7.7120 8.0083 8.0193 8.0691 8.0814 8.1737 8.1888 8.2733 8.2854 8.2948 8.3041 k = 0.3246 0.5090-0.0000 ( 44974 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6030 -20.6026 -20.6025 -20.6023 -20.6020 -20.6016 -20.6012 -20.6011 -20.5869 -20.5867 -20.5865 -20.5864 -20.5848 -20.5847 -20.5840 -20.5839 -20.4400 -20.4394 -20.4393 -20.4370 -20.4356 -20.4346 -20.4340 -20.4331 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2.7323 2.7374 2.9463 2.9605 3.2769 3.2789 3.3798 3.3940 3.5081 3.5193 3.5205 3.5480 3.5853 3.5888 3.9242 3.9265 4.0549 4.0591 4.2723 4.2776 4.7850 4.8071 4.8307 4.8583 5.1286 5.1442 5.2895 5.2997 5.3578 5.3933 5.5483 5.5633 5.6586 5.7032 5.7768 5.7891 5.9448 5.9727 6.1233 6.1609 6.2743 6.2944 6.4983 6.5521 6.5600 6.6057 6.8149 6.8317 6.9052 6.9069 6.9586 6.9879 7.3540 7.3730 7.3732 7.3960 7.5115 7.5139 7.6556 7.6560 7.9666 7.9778 8.0263 8.0349 8.2208 8.2377 8.2414 8.2584 8.3200 8.3329 k = 0.3517 0.5514-0.0000 ( 44970 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6030 -20.6027 -20.6026 -20.6024 -20.6019 -20.6016 -20.6011 -20.6011 -20.5869 -20.5868 -20.5864 -20.5863 -20.5849 -20.5849 -20.5839 -20.5838 -20.4399 -20.4393 -20.4393 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8.3371 8.3543 k = 0.3517 0.5514-0.0000 ( 44970 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6030 -20.6027 -20.6026 -20.6024 -20.6019 -20.6016 -20.6011 -20.6011 -20.5869 -20.5868 -20.5864 -20.5863 -20.5849 -20.5849 -20.5839 -20.5838 -20.4399 -20.4393 -20.4393 -20.4371 -20.4354 -20.4344 -20.4341 -20.4332 -20.4317 -20.4308 -20.4304 -20.4297 -20.4184 -20.4172 -20.4166 -20.4160 -20.4148 -20.4146 -20.4133 -20.4125 -20.4073 -20.4072 -20.4064 -20.4063 -20.4059 -20.4052 -20.4042 -20.4036 -20.3941 -20.3934 -20.3933 -20.3933 -20.3925 -20.3921 -20.3921 -20.3920 -20.3070 -20.3067 -20.3065 -20.3065 -20.3054 -20.3053 -20.3051 -20.3050 -20.2933 -20.2929 -20.2925 -20.2925 -20.2574 -20.2574 -20.2573 -20.2573 -20.2418 -20.2418 -20.2418 -20.2418 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8.0491 8.0511 8.1860 8.1900 8.2838 8.2948 8.3043 8.3179 k = 0.3014 0.5514-0.0000 ( 44975 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6030 -20.6026 -20.6025 -20.6023 -20.6020 -20.6016 -20.6012 -20.6011 -20.5869 -20.5868 -20.5864 -20.5864 -20.5848 -20.5848 -20.5840 -20.5839 -20.4400 -20.4393 -20.4393 -20.4371 -20.4355 -20.4345 -20.4340 -20.4332 -20.4317 -20.4307 -20.4304 -20.4295 -20.4183 -20.4170 -20.4166 -20.4162 -20.4149 -20.4144 -20.4133 -20.4125 -20.4073 -20.4071 -20.4065 -20.4063 -20.4059 -20.4051 -20.4043 -20.4037 -20.3942 -20.3935 -20.3934 -20.3933 -20.3924 -20.3921 -20.3920 -20.3919 -20.3070 -20.3067 -20.3065 -20.3064 -20.3054 -20.3053 -20.3051 -20.3050 -20.2933 -20.2929 -20.2926 -20.2925 -20.2574 -20.2574 -20.2573 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7.5269 7.5389 7.6629 7.6752 7.8627 7.8658 8.0099 8.0156 8.2086 8.2313 8.3109 8.3133 8.4039 8.4219 k = 0.2512 0.5514-0.0000 ( 44991 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6029 -20.6026 -20.6025 -20.6023 -20.6020 -20.6016 -20.6013 -20.6012 -20.5869 -20.5867 -20.5865 -20.5864 -20.5848 -20.5847 -20.5840 -20.5839 -20.4400 -20.4394 -20.4393 -20.4373 -20.4355 -20.4346 -20.4340 -20.4331 -20.4318 -20.4308 -20.4303 -20.4293 -20.4182 -20.4170 -20.4166 -20.4163 -20.4150 -20.4143 -20.4134 -20.4126 -20.4072 -20.4069 -20.4065 -20.4063 -20.4059 -20.4051 -20.4045 -20.4038 -20.3942 -20.3936 -20.3934 -20.3933 -20.3924 -20.3921 -20.3920 -20.3919 -20.3069 -20.3067 -20.3064 -20.3064 -20.3054 -20.3053 -20.3051 -20.3050 -20.2933 -20.2929 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-2.6915 -2.6914 -0.4361 -0.4351 -0.1878 -0.1686 -0.1647 -0.1571 -0.0949 -0.0824 0.0405 0.0436 0.0875 0.1063 2.2729 2.2776 2.3998 2.4061 2.7620 2.7681 2.9659 2.9751 3.1926 3.2165 3.2891 3.2963 3.4383 3.5237 3.5594 3.5912 3.7232 3.7359 3.9137 3.9198 4.1262 4.1407 4.2399 4.2555 4.7292 4.7401 4.7723 4.8077 5.0875 5.1097 5.1460 5.1583 5.3078 5.3530 5.5119 5.5563 5.6209 5.6420 5.9542 5.9714 6.0041 6.0243 6.1126 6.1434 6.3278 6.3369 6.4762 6.4866 6.5460 6.6043 6.7312 6.7599 6.9347 6.9617 7.0364 7.0812 7.1655 7.1762 7.3698 7.4008 7.5200 7.5269 7.6284 7.6398 7.8741 7.8913 7.9545 7.9660 8.2389 8.2649 8.3921 8.4001 8.4784 8.4966 k = 0.2261 0.5514-0.0000 ( 45002 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6029 -20.6026 -20.6025 -20.6023 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6.9975 7.0660 7.0906 7.1288 7.1555 7.3458 7.3681 7.5161 7.5200 7.5861 7.5894 7.8511 7.8681 7.9654 7.9684 8.2898 8.3142 8.4893 8.5028 8.5537 8.5758 k = 0.2010 0.5514-0.0000 ( 45001 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6029 -20.6026 -20.6025 -20.6023 -20.6020 -20.6017 -20.6013 -20.6012 -20.5869 -20.5867 -20.5865 -20.5864 -20.5847 -20.5846 -20.5841 -20.5840 -20.4401 -20.4394 -20.4393 -20.4375 -20.4354 -20.4346 -20.4339 -20.4331 -20.4318 -20.4309 -20.4301 -20.4292 -20.4180 -20.4170 -20.4166 -20.4164 -20.4149 -20.4142 -20.4135 -20.4126 -20.4071 -20.4068 -20.4066 -20.4062 -20.4059 -20.4051 -20.4046 -20.4040 -20.3942 -20.3937 -20.3934 -20.3933 -20.3924 -20.3921 -20.3919 -20.3919 -20.3069 -20.3067 -20.3064 -20.3064 -20.3054 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-9.3699 -9.3699 -9.3699 -2.7676 -2.7676 -2.6887 -2.6886 -0.4424 -0.4414 -0.1815 -0.1664 -0.1531 -0.1381 -0.0866 -0.0793 0.0458 0.0534 0.1019 0.1211 2.2480 2.2533 2.4114 2.4140 2.7349 2.7378 2.9632 2.9729 3.1340 3.1635 3.2723 3.2790 3.4684 3.5447 3.6260 3.6560 3.7807 3.8020 3.9313 3.9343 4.1557 4.1800 4.2172 4.2476 4.6680 4.6775 4.7077 4.7513 5.0162 5.0201 5.0691 5.0850 5.2463 5.2887 5.5245 5.5594 5.6683 5.6915 5.9082 5.9152 5.9934 6.0214 6.1276 6.1542 6.4279 6.4446 6.4568 6.4919 6.5605 6.5961 6.6932 6.7205 7.0137 7.0361 7.0632 7.0761 7.1294 7.1817 7.3127 7.3286 7.4777 7.4943 7.5725 7.5960 7.7990 7.8130 8.0128 8.0197 8.3520 8.3750 8.5846 8.6023 8.6319 8.6556 k = 0.1758 0.5514-0.0000 ( 45012 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6029 -20.6025 -20.6025 -20.6023 -20.6020 -20.6017 -20.6014 -20.6013 -20.5869 -20.5867 -20.5865 -20.5864 -20.5847 -20.5846 -20.5842 -20.5840 -20.4401 -20.4394 -20.4393 -20.4377 -20.4353 -20.4346 -20.4338 -20.4332 -20.4318 -20.4310 -20.4300 -20.4292 -20.4179 -20.4170 -20.4166 -20.4164 -20.4148 -20.4142 -20.4135 -20.4127 -20.4071 -20.4067 -20.4066 -20.4062 -20.4059 -20.4051 -20.4047 -20.4040 -20.3942 -20.3937 -20.3934 -20.3934 -20.3924 -20.3922 -20.3919 -20.3919 -20.3069 -20.3067 -20.3064 -20.3064 -20.3054 -20.3053 -20.3051 -20.3050 -20.2932 -20.2929 -20.2928 -20.2927 -20.2574 -20.2574 -20.2573 -20.2573 -20.2419 -20.2418 -20.2418 -20.2418 -20.1427 -20.1427 -20.1426 -20.1426 -20.1358 -20.1357 -20.1357 -20.1356 -20.1238 -20.1237 -20.1237 -20.1236 -20.1134 -20.1134 -20.1130 -20.1129 -20.1102 -20.1101 -20.1098 -20.1098 -20.0959 -20.0959 -20.0958 -20.0958 -10.4241 -10.4240 -10.4239 -10.4239 -10.4166 -10.4166 -10.4165 -10.4164 -10.4068 -10.4068 -10.4067 -10.4067 -10.3866 -10.3865 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6.5291 6.5628 6.5918 6.6885 6.7185 7.0288 7.0420 7.0553 7.0711 7.1848 7.2228 7.2872 7.2921 7.4229 7.4388 7.6143 7.6402 7.7560 7.7700 8.0662 8.0787 8.4131 8.4380 8.6464 8.6708 8.7062 8.7276 k = 0.1507 0.5514-0.0000 ( 44999 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6029 -20.6025 -20.6025 -20.6023 -20.6019 -20.6017 -20.6014 -20.6013 -20.5868 -20.5867 -20.5865 -20.5865 -20.5846 -20.5846 -20.5842 -20.5841 -20.4401 -20.4395 -20.4392 -20.4379 -20.4352 -20.4347 -20.4338 -20.4332 -20.4318 -20.4311 -20.4299 -20.4291 -20.4178 -20.4170 -20.4167 -20.4165 -20.4147 -20.4141 -20.4136 -20.4128 -20.4070 -20.4067 -20.4066 -20.4062 -20.4059 -20.4051 -20.4047 -20.4041 -20.3942 -20.3938 -20.3934 -20.3933 -20.3923 -20.3922 -20.3919 -20.3919 -20.3069 -20.3067 -20.3064 -20.3064 -20.3054 -20.3053 -20.3050 -20.3049 -20.2932 -20.2928 -20.2928 -20.2927 -20.2574 -20.2574 -20.2573 -20.2573 -20.2419 -20.2418 -20.2418 -20.2418 -20.1427 -20.1427 -20.1426 -20.1426 -20.1358 -20.1357 -20.1357 -20.1356 -20.1238 -20.1237 -20.1237 -20.1236 -20.1134 -20.1134 -20.1130 -20.1129 -20.1102 -20.1101 -20.1098 -20.1098 -20.0959 -20.0959 -20.0958 -20.0958 -10.4241 -10.4240 -10.4239 -10.4239 -10.4166 -10.4166 -10.4165 -10.4164 -10.4068 -10.4068 -10.4067 -10.4067 -10.3866 -10.3865 -10.3865 -10.3865 -10.3817 -10.3816 -10.3816 -10.3815 -10.3530 -10.3530 -10.3526 -10.3525 -10.3491 -10.3491 -10.3488 -10.3488 -10.3408 -10.3408 -10.3407 -10.3406 -9.5900 -9.5900 -9.5899 -9.5899 -9.5836 -9.5835 -9.5834 -9.5833 -9.5786 -9.5785 -9.5784 -9.5783 -9.5599 -9.5598 -9.5598 -9.5597 -9.5484 -9.5484 -9.5479 -9.5478 -9.5126 -9.5124 -9.5123 -9.5122 -9.5067 -9.5065 -9.5064 -9.5064 -9.4625 -9.4623 -9.4621 -9.4621 -9.4562 -9.4560 -9.4556 -9.4555 -9.4288 -9.4288 -9.4285 -9.4284 -9.3819 -9.3819 -9.3816 -9.3815 -9.3700 -9.3700 -9.3699 -9.3699 -2.7758 -2.7757 -2.6870 -2.6868 -0.4486 -0.4478 -0.1832 -0.1703 -0.1501 -0.1321 -0.0609 -0.0549 0.0540 0.0635 0.1179 0.1355 2.1970 2.2016 2.4624 2.4659 2.6462 2.6486 2.9642 2.9826 3.0916 3.1210 3.2831 3.2922 3.5290 3.5856 3.6896 3.7217 3.8336 3.8686 3.9526 3.9695 4.1503 4.1540 4.2376 4.2559 4.5992 4.6283 4.6348 4.6830 4.8941 4.9032 5.0451 5.0557 5.1991 5.2354 5.5337 5.5498 5.7229 5.7548 5.8215 5.8309 6.0231 6.0532 6.1037 6.1361 6.4025 6.4296 6.5059 6.5409 6.5632 6.5862 6.7046 6.7362 7.0120 7.0260 7.0656 7.0805 7.2195 7.2202 7.2894 7.3212 7.3769 7.3883 7.6715 7.6929 7.7511 7.7598 8.1205 8.1374 8.4578 8.4898 8.6549 8.6942 8.7203 8.7260 k = 0.1256 0.5514-0.0000 ( 45004 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6028 -20.6026 -20.6025 -20.6023 -20.6019 -20.6017 -20.6014 -20.6014 -20.5868 -20.5867 -20.5866 -20.5865 -20.5846 -20.5845 -20.5842 -20.5841 -20.4401 -20.4395 -20.4392 -20.4380 -20.4352 -20.4347 -20.4337 -20.4332 -20.4318 -20.4312 -20.4298 -20.4291 -20.4178 -20.4169 -20.4168 -20.4165 -20.4146 -20.4141 -20.4136 -20.4129 -20.4070 -20.4066 -20.4066 -20.4062 -20.4058 -20.4052 -20.4047 -20.4042 -20.3942 -20.3938 -20.3934 -20.3934 -20.3923 -20.3922 -20.3919 -20.3919 -20.3069 -20.3067 -20.3064 -20.3064 -20.3054 -20.3053 -20.3050 -20.3049 -20.2932 -20.2929 -20.2928 -20.2927 -20.2574 -20.2574 -20.2574 -20.2573 -20.2419 -20.2418 -20.2418 -20.2418 -20.1427 -20.1427 -20.1426 -20.1426 -20.1358 -20.1357 -20.1357 -20.1356 -20.1238 -20.1237 -20.1237 -20.1236 -20.1134 -20.1134 -20.1130 -20.1129 -20.1102 -20.1101 -20.1098 -20.1098 -20.0959 -20.0959 -20.0958 -20.0958 -10.4241 -10.4240 -10.4239 -10.4239 -10.4166 -10.4165 -10.4165 -10.4164 -10.4068 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6.0392 6.0698 6.0933 6.1251 6.3716 6.4105 6.5009 6.5290 6.5580 6.5780 6.7308 6.7556 6.9989 7.0129 7.0688 7.0818 7.1919 7.1985 7.3187 7.3385 7.3721 7.3886 7.7105 7.7244 7.8138 7.8292 8.1678 8.1896 8.4669 8.5011 8.6457 8.6853 8.6933 8.7012 k = 0.1005 0.5514-0.0000 ( 44989 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6028 -20.6026 -20.6024 -20.6023 -20.6018 -20.6017 -20.6015 -20.6014 -20.5868 -20.5867 -20.5866 -20.5865 -20.5845 -20.5845 -20.5842 -20.5841 -20.4400 -20.4396 -20.4391 -20.4382 -20.4351 -20.4347 -20.4336 -20.4332 -20.4318 -20.4313 -20.4297 -20.4291 -20.4177 -20.4169 -20.4169 -20.4166 -20.4145 -20.4140 -20.4137 -20.4130 -20.4069 -20.4067 -20.4065 -20.4062 -20.4058 -20.4052 -20.4047 -20.4042 -20.3941 -20.3939 -20.3934 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5.4803 5.4890 5.7105 5.7279 5.9091 5.9256 6.0567 6.0825 6.0993 6.1206 6.2903 6.3421 6.4858 6.4987 6.5464 6.5608 6.7588 6.7688 6.9677 6.9785 7.0533 7.0599 7.1544 7.1596 7.2828 7.2934 7.4935 7.4989 7.8172 7.8360 8.0302 8.0579 8.1995 8.2384 8.3779 8.3856 8.6501 8.6581 8.7258 8.7492 k = 0.0502 0.5514-0.0000 ( 45001 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6027 -20.6026 -20.6024 -20.6023 -20.6017 -20.6016 -20.6015 -20.6015 -20.5868 -20.5867 -20.5866 -20.5865 -20.5845 -20.5844 -20.5843 -20.5842 -20.4399 -20.4397 -20.4390 -20.4385 -20.4350 -20.4348 -20.4335 -20.4333 -20.4317 -20.4314 -20.4295 -20.4292 -20.4175 -20.4171 -20.4168 -20.4167 -20.4142 -20.4139 -20.4137 -20.4132 -20.4069 -20.4067 -20.4064 -20.4062 -20.4057 -20.4054 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-9.4624 -9.4624 -9.4621 -9.4621 -9.4561 -9.4561 -9.4556 -9.4555 -9.4288 -9.4288 -9.4285 -9.4284 -9.3819 -9.3819 -9.3816 -9.3815 -9.3700 -9.3700 -9.3699 -9.3699 -2.7860 -2.7860 -2.6854 -2.6854 -0.4573 -0.4570 -0.1859 -0.1806 -0.1534 -0.1465 0.0040 0.0057 0.0687 0.0743 0.1400 0.1478 2.1225 2.1241 2.4826 2.4835 2.6014 2.6063 2.8673 2.8776 3.1443 3.1557 3.2761 3.2875 3.6818 3.7155 3.7631 3.8059 3.9202 3.9523 4.0091 4.0458 4.0854 4.1130 4.2458 4.2504 4.4920 4.5061 4.5864 4.5991 4.7104 4.7166 5.0201 5.0269 5.1620 5.1816 5.4592 5.4672 5.7071 5.7189 5.9596 5.9739 6.0584 6.0813 6.1024 6.1258 6.2497 6.2987 6.4816 6.4907 6.5433 6.5538 6.7641 6.7697 6.9493 6.9577 7.0365 7.0404 7.1514 7.1554 7.2657 7.2741 7.5585 7.5642 7.8917 7.9127 8.0927 8.1144 8.2188 8.2386 8.3399 8.3448 8.6811 8.6946 8.7531 8.7763 k = 0.0251 0.5514-0.0000 ( 45013 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 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4.6905 4.6938 5.0189 5.0227 5.1636 5.1742 5.4461 5.4508 5.7069 5.7129 6.0084 6.0160 6.0582 6.0768 6.1003 6.1217 6.2252 6.2582 6.4806 6.4856 6.5428 6.5484 6.7678 6.7704 6.9357 6.9404 7.0235 7.0254 7.1529 7.1553 7.2543 7.2590 7.6119 7.6178 7.9698 7.9908 8.0773 8.0970 8.1848 8.1932 8.4092 8.4123 8.7222 8.7411 8.7693 8.7965 k = 0.0000 0.5514-0.0000 ( 44998 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6027 -20.6027 -20.6024 -20.6024 -20.6016 -20.6016 -20.6016 -20.6016 -20.5867 -20.5867 -20.5866 -20.5866 -20.5844 -20.5844 -20.5843 -20.5843 -20.4398 -20.4398 -20.4387 -20.4387 -20.4349 -20.4349 -20.4334 -20.4334 -20.4316 -20.4316 -20.4293 -20.4293 -20.4173 -20.4173 -20.4168 -20.4168 -20.4141 -20.4141 -20.4135 -20.4135 -20.4068 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4.1220 4.2334 4.2334 4.4816 4.4816 4.5870 4.5870 4.6848 4.6848 5.0199 5.0199 5.1681 5.1681 5.4432 5.4432 5.7090 5.7090 6.0377 6.0377 6.0612 6.0612 6.1060 6.1060 6.2300 6.2300 6.4822 6.4822 6.5446 6.5446 6.7700 6.7700 6.9321 6.9321 7.0194 7.0194 7.1548 7.1548 7.2517 7.2517 7.6365 7.6365 8.0348 8.0348 8.0614 8.0614 8.1515 8.1515 8.4665 8.4665 8.7540 8.7540 8.7962 8.7962 k = 0.0000 0.5514 0.0249 ( 45000 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6027 -20.6027 -20.6024 -20.6023 -20.6017 -20.6016 -20.6016 -20.6016 -20.5867 -20.5867 -20.5866 -20.5866 -20.5844 -20.5844 -20.5843 -20.5843 -20.4399 -20.4398 -20.4388 -20.4386 -20.4350 -20.4348 -20.4335 -20.4333 -20.4316 -20.4315 -20.4293 -20.4293 -20.4173 -20.4173 -20.4168 -20.4167 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3.9582 3.9582 3.9984 4.0122 4.1216 4.1220 4.2186 4.2249 4.4621 4.4706 4.5979 4.5982 4.6969 4.6973 5.0054 5.0112 5.1777 5.1928 5.4137 5.4186 5.7312 5.7468 5.9805 5.9820 6.0685 6.0905 6.1434 6.1536 6.2532 6.2641 6.4605 6.4625 6.5851 6.5860 6.7833 6.7834 6.8929 6.8965 7.0510 7.0544 7.1859 7.1889 7.2827 7.2836 7.5668 7.5789 7.9290 7.9392 8.0984 8.1059 8.2370 8.2424 8.4612 8.4623 8.6754 8.6895 8.7087 8.7274 k = 0.0000 0.5514 0.0748 ( 45006 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6027 -20.6027 -20.6024 -20.6023 -20.6017 -20.6016 -20.6016 -20.6016 -20.5867 -20.5867 -20.5866 -20.5866 -20.5844 -20.5844 -20.5843 -20.5843 -20.4400 -20.4396 -20.4390 -20.4385 -20.4351 -20.4346 -20.4337 -20.4332 -20.4315 -20.4314 -20.4294 -20.4293 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k = 0.0000 0.5514 0.1996 ( 44990 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 -20.6025 -20.6024 -20.6023 -20.6018 -20.6016 -20.6016 -20.6016 -20.5867 -20.5866 -20.5866 -20.5865 -20.5844 -20.5844 -20.5843 -20.5843 -20.4401 -20.4395 -20.4391 -20.4382 -20.4354 -20.4344 -20.4341 -20.4333 -20.4311 -20.4308 -20.4298 -20.4295 -20.4174 -20.4172 -20.4171 -20.4165 -20.4146 -20.4139 -20.4133 -20.4131 -20.4069 -20.4068 -20.4067 -20.4064 -20.4052 -20.4051 -20.4046 -20.4046 -20.3939 -20.3939 -20.3935 -20.3935 -20.3922 -20.3921 -20.3919 -20.3919 -20.3068 -20.3066 -20.3066 -20.3063 -20.3055 -20.3052 -20.3051 -20.3049 -20.2931 -20.2929 -20.2929 -20.2928 -20.2574 -20.2574 -20.2573 -20.2573 -20.2418 -20.2418 -20.2418 -20.2418 -20.1427 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8.2686 8.3506 8.3758 8.5828 8.5837 k = 0.0000 0.5514 0.2495 ( 45004 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 -20.6025 -20.6025 -20.6023 -20.6018 -20.6017 -20.6016 -20.6016 -20.5867 -20.5866 -20.5866 -20.5866 -20.5844 -20.5844 -20.5843 -20.5843 -20.4401 -20.4397 -20.4389 -20.4383 -20.4353 -20.4346 -20.4339 -20.4334 -20.4309 -20.4305 -20.4300 -20.4296 -20.4174 -20.4173 -20.4170 -20.4166 -20.4145 -20.4140 -20.4131 -20.4130 -20.4070 -20.4068 -20.4068 -20.4065 -20.4051 -20.4050 -20.4047 -20.4047 -20.3939 -20.3938 -20.3936 -20.3935 -20.3922 -20.3921 -20.3920 -20.3920 -20.3068 -20.3066 -20.3066 -20.3064 -20.3054 -20.3052 -20.3050 -20.3049 -20.2931 -20.2930 -20.2929 -20.2928 -20.2574 -20.2574 -20.2574 -20.2573 -20.2418 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0.0342 0.0411 0.1138 0.1204 0.1280 0.1355 2.1962 2.1996 2.4780 2.4846 2.6501 2.6548 2.7792 2.7839 3.2342 3.2538 3.3009 3.3009 3.6715 3.6741 3.7197 3.7209 3.7345 3.7368 3.9491 3.9624 4.0804 4.0975 4.1035 4.1195 4.2552 4.2592 4.5373 4.5501 4.8938 4.9041 5.0700 5.0799 5.2206 5.2344 5.3539 5.3954 5.9238 5.9446 5.9583 5.9746 6.2507 6.2571 6.2742 6.2832 6.3708 6.3854 6.6689 6.6780 6.7228 6.7321 6.8104 6.8158 7.0462 7.0483 7.1162 7.1282 7.3779 7.3862 7.3998 7.4209 7.7214 7.7247 7.8400 7.8511 7.9546 7.9763 8.0019 8.0104 8.2279 8.2342 8.3223 8.3401 8.5428 8.5502 k = 0.0000 0.5514 0.2744 ( 45018 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 -20.6025 -20.6025 -20.6023 -20.6018 -20.6017 -20.6016 -20.6016 -20.5867 -20.5866 -20.5866 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7.7917 8.0016 8.0101 8.0399 8.0472 8.2133 8.2256 8.2856 8.2971 8.4913 8.5007 k = 0.0000 0.5514 0.2994 ( 45038 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 -20.6025 -20.6024 -20.6023 -20.6018 -20.6017 -20.6016 -20.6016 -20.5867 -20.5866 -20.5866 -20.5866 -20.5844 -20.5844 -20.5844 -20.5844 -20.4401 -20.4399 -20.4387 -20.4384 -20.4353 -20.4349 -20.4338 -20.4335 -20.4307 -20.4303 -20.4302 -20.4298 -20.4174 -20.4174 -20.4169 -20.4167 -20.4145 -20.4142 -20.4131 -20.4130 -20.4070 -20.4069 -20.4068 -20.4066 -20.4050 -20.4049 -20.4047 -20.4047 -20.3938 -20.3938 -20.3937 -20.3936 -20.3921 -20.3921 -20.3920 -20.3920 -20.3068 -20.3067 -20.3065 -20.3064 -20.3054 -20.3053 -20.3050 -20.3049 -20.2930 -20.2930 -20.2929 -20.2928 -20.2574 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-0.3863 -0.3854 0.0079 0.0136 0.0359 0.0442 0.1098 0.1183 0.1198 0.1289 2.2623 2.2660 2.4271 2.4332 2.6384 2.6434 2.7337 2.7379 3.3340 3.3538 3.3856 3.3885 3.6001 3.6196 3.6377 3.6469 3.7431 3.7500 3.8641 3.8712 4.0603 4.0784 4.0799 4.0947 4.3201 4.3258 4.4687 4.4783 4.9498 4.9558 5.0526 5.0561 5.2534 5.2809 5.3475 5.3879 5.9685 5.9890 5.9914 6.0118 6.2691 6.2727 6.2994 6.3035 6.4251 6.4397 6.6200 6.6279 6.6712 6.6727 6.9272 6.9312 6.9885 6.9896 7.1827 7.2045 7.4563 7.4607 7.4737 7.4945 7.6720 7.6740 7.7284 7.7325 8.0380 8.0423 8.0720 8.0754 8.2220 8.2372 8.2538 8.2593 8.4542 8.4616 k = 0.0000 0.5514 0.3243 ( 45048 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 -20.6025 -20.6024 -20.6024 -20.6018 -20.6017 -20.6016 -20.6016 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7.5164 7.6589 7.6640 7.6880 7.6937 8.0570 8.0666 8.0838 8.0902 8.2286 8.2363 8.2408 8.2447 8.4506 8.4521 k = 0.0000 0.5514 0.3493 ( 45040 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 -20.6026 -20.6024 -20.6024 -20.6018 -20.6018 -20.6016 -20.6016 -20.5867 -20.5867 -20.5866 -20.5866 -20.5844 -20.5844 -20.5844 -20.5844 -20.4400 -20.4400 -20.4385 -20.4385 -20.4351 -20.4351 -20.4336 -20.4336 -20.4305 -20.4305 -20.4301 -20.4301 -20.4174 -20.4174 -20.4168 -20.4168 -20.4143 -20.4143 -20.4130 -20.4130 -20.4070 -20.4070 -20.4067 -20.4067 -20.4048 -20.4048 -20.4048 -20.4048 -20.3937 -20.3937 -20.3937 -20.3937 -20.3921 -20.3921 -20.3921 -20.3921 -20.3067 -20.3067 -20.3065 -20.3065 -20.3054 -20.3054 -20.3049 -20.3049 -20.2930 -20.2930 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-2.7367 -2.7367 -0.4165 -0.4165 -0.4157 -0.4157 0.0283 0.0283 0.0363 0.0363 0.1115 0.1115 0.1212 0.1212 2.3435 2.3435 2.3479 2.3479 2.6791 2.6791 2.6832 2.6832 3.4179 3.4179 3.4338 3.4338 3.5720 3.5720 3.5740 3.5740 3.7920 3.7920 3.7939 3.7939 4.0642 4.0642 4.0819 4.0819 4.3936 4.3936 4.4009 4.4009 5.0044 5.0044 5.0077 5.0077 5.3087 5.3087 5.3443 5.3443 5.9947 5.9947 6.0154 6.0154 6.2962 6.2962 6.2972 6.2972 6.5010 6.5010 6.5063 6.5063 6.7857 6.7857 6.7897 6.7897 7.1360 7.1360 7.1451 7.1451 7.4951 7.4951 7.5117 7.5117 7.6642 7.6642 7.6713 7.6713 8.0745 8.0745 8.0843 8.0843 8.2340 8.2340 8.2371 8.2371 8.4732 8.4732 k = 0.0000 0.5514 0.3493 ( 45040 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 -20.6026 -20.6024 -20.6024 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7.1451 7.1451 7.4951 7.4951 7.5117 7.5117 7.6642 7.6642 7.6713 7.6713 8.0745 8.0745 8.0843 8.0843 8.2340 8.2340 8.2371 8.2371 8.4732 8.4732 k = 0.0251 0.5514 0.3493 ( 45058 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 -20.6026 -20.6024 -20.6024 -20.6018 -20.6018 -20.6016 -20.6016 -20.5867 -20.5867 -20.5866 -20.5866 -20.5844 -20.5844 -20.5844 -20.5844 -20.4400 -20.4400 -20.4385 -20.4385 -20.4351 -20.4351 -20.4336 -20.4336 -20.4305 -20.4305 -20.4300 -20.4300 -20.4174 -20.4174 -20.4168 -20.4168 -20.4143 -20.4143 -20.4130 -20.4130 -20.4070 -20.4070 -20.4067 -20.4067 -20.4049 -20.4049 -20.4048 -20.4048 -20.3937 -20.3937 -20.3937 -20.3937 -20.3921 -20.3921 -20.3921 -20.3921 -20.3067 -20.3067 -20.3065 -20.3065 -20.3054 -20.3054 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-9.3699 -9.3699 -2.7366 -2.7366 -2.7366 -2.7366 -0.4158 -0.4158 -0.4149 -0.4149 0.0207 0.0207 0.0291 0.0291 0.1168 0.1168 0.1271 0.1271 2.3464 2.3464 2.3511 2.3511 2.6810 2.6810 2.6855 2.6855 3.3978 3.3978 3.4168 3.4168 3.5776 3.5776 3.5909 3.5909 3.7854 3.7854 3.7990 3.7990 4.0564 4.0564 4.0823 4.0823 4.3978 4.3978 4.4167 4.4167 5.0060 5.0060 5.0108 5.0108 5.3107 5.3107 5.3465 5.3465 5.9907 5.9907 6.0124 6.0124 6.2872 6.2872 6.2985 6.2985 6.5056 6.5056 6.5168 6.5168 6.7861 6.7861 6.7906 6.7906 7.1328 7.1328 7.1441 7.1441 7.4951 7.4951 7.5120 7.5120 7.6649 7.6649 7.6747 7.6747 8.0444 8.0444 8.0618 8.0618 8.2370 8.2370 8.2526 8.2526 8.4587 8.4587 k = 0.0502 0.5514 0.3493 ( 45044 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 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6.7931 6.7931 7.1244 7.1244 7.1406 7.1406 7.4954 7.4954 7.5130 7.5130 7.6668 7.6668 7.6816 7.6816 7.9790 7.9790 8.0029 8.0029 8.2474 8.2474 8.2692 8.2692 8.4426 8.4426 k = 0.0754 0.5514 0.3493 ( 45042 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 -20.6026 -20.6024 -20.6024 -20.6018 -20.6018 -20.6016 -20.6016 -20.5867 -20.5867 -20.5866 -20.5866 -20.5844 -20.5844 -20.5843 -20.5843 -20.4400 -20.4400 -20.4384 -20.4384 -20.4351 -20.4351 -20.4337 -20.4337 -20.4306 -20.4306 -20.4299 -20.4299 -20.4174 -20.4174 -20.4168 -20.4168 -20.4144 -20.4144 -20.4129 -20.4129 -20.4070 -20.4070 -20.4067 -20.4067 -20.4049 -20.4049 -20.4047 -20.4047 -20.3938 -20.3938 -20.3936 -20.3936 -20.3921 -20.3921 -20.3920 -20.3920 -20.3067 -20.3067 -20.3065 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-9.3816 -9.3700 -9.3700 -9.3699 -9.3699 -2.7353 -2.7353 -2.7352 -2.7352 -0.4103 -0.4103 -0.4089 -0.4089 -0.0217 -0.0217 -0.0127 -0.0127 0.1441 0.1441 0.1556 0.1556 2.3690 2.3690 2.3747 2.3747 2.6964 2.6964 2.7031 2.7031 3.3035 3.3035 3.3273 3.3273 3.5905 3.5905 3.6215 3.6215 3.7786 3.7786 3.8210 3.8210 4.0269 4.0269 4.0691 4.0691 4.4598 4.4598 4.4964 4.4964 5.0217 5.0217 5.0334 5.0334 5.3263 5.3263 5.3634 5.3634 5.9609 5.9609 5.9879 5.9879 6.2582 6.2582 6.2848 6.2848 6.5473 6.5473 6.5698 6.5698 6.7888 6.7888 6.7963 6.7963 7.1125 7.1125 7.1345 7.1345 7.4962 7.4962 7.5144 7.5144 7.6665 7.6665 7.6849 7.6849 7.9045 7.9045 7.9321 7.9321 8.2494 8.2494 8.2721 8.2721 8.4449 8.4449 k = 0.1005 0.5514 0.3493 ( 45030 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 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6.5759 6.5759 6.6006 6.6006 6.7905 6.7905 6.7992 6.7992 7.0983 7.0983 7.1262 7.1262 7.4941 7.4941 7.5135 7.5135 7.6585 7.6585 7.6762 7.6762 7.8442 7.8442 7.8698 7.8698 8.2405 8.2405 8.2631 8.2631 8.4627 8.4627 k = 0.1256 0.5514 0.3493 ( 45024 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 -20.6026 -20.6024 -20.6024 -20.6018 -20.6018 -20.6015 -20.6015 -20.5867 -20.5867 -20.5866 -20.5866 -20.5844 -20.5844 -20.5843 -20.5843 -20.4400 -20.4400 -20.4383 -20.4383 -20.4350 -20.4350 -20.4337 -20.4337 -20.4308 -20.4308 -20.4298 -20.4298 -20.4175 -20.4175 -20.4167 -20.4167 -20.4145 -20.4145 -20.4128 -20.4128 -20.4071 -20.4071 -20.4067 -20.4067 -20.4049 -20.4049 -20.4046 -20.4046 -20.3938 -20.3938 -20.3936 -20.3936 -20.3921 -20.3921 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-9.4287 -9.4285 -9.4285 -9.3818 -9.3818 -9.3816 -9.3816 -9.3700 -9.3700 -9.3699 -9.3699 -2.7329 -2.7329 -2.7327 -2.7327 -0.3993 -0.3993 -0.3973 -0.3973 -0.0764 -0.0764 -0.0680 -0.0680 0.1724 0.1724 0.1842 0.1842 2.4077 2.4077 2.4154 2.4154 2.7281 2.7281 2.7380 2.7380 3.2026 3.2026 3.2288 3.2288 3.5443 3.5443 3.5764 3.5764 3.7936 3.7936 3.8474 3.8474 4.0120 4.0120 4.0631 4.0631 4.5708 4.5708 4.6092 4.6092 5.0573 5.0573 5.0788 5.0788 5.3550 5.3550 5.3931 5.3931 5.9111 5.9111 5.9426 5.9426 6.2301 6.2301 6.2646 6.2646 6.6040 6.6040 6.6294 6.6294 6.7919 6.7919 6.8014 6.8014 7.0825 7.0825 7.1154 7.1154 7.4811 7.4811 7.5035 7.5035 7.6420 7.6420 7.6586 7.6586 7.8137 7.8137 7.8307 7.8307 8.2255 8.2255 8.2487 8.2487 8.4697 8.4697 k = 0.1507 0.5514 0.3493 ( 45010 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 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5.9152 5.9152 6.2146 6.2146 6.2515 6.2515 6.6288 6.6288 6.6534 6.6534 6.7931 6.7931 6.8031 6.8031 7.0649 7.0649 7.1002 7.1002 7.4534 7.4534 7.4787 7.4787 7.6290 7.6290 7.6516 7.6516 7.8032 7.8032 7.8174 7.8174 8.2088 8.2088 8.2326 8.2326 8.4459 8.4459 k = 0.1758 0.5514 0.3493 ( 45002 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6027 -20.6027 -20.6024 -20.6024 -20.6017 -20.6017 -20.6014 -20.6014 -20.5867 -20.5867 -20.5865 -20.5865 -20.5845 -20.5845 -20.5843 -20.5843 -20.4401 -20.4401 -20.4382 -20.4382 -20.4350 -20.4350 -20.4338 -20.4338 -20.4309 -20.4309 -20.4297 -20.4297 -20.4175 -20.4175 -20.4167 -20.4167 -20.4146 -20.4146 -20.4127 -20.4127 -20.4072 -20.4072 -20.4067 -20.4067 -20.4049 -20.4049 -20.4045 -20.4045 -20.3938 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-9.4621 -9.4560 -9.4560 -9.4557 -9.4557 -9.4287 -9.4287 -9.4285 -9.4285 -9.3818 -9.3818 -9.3816 -9.3816 -9.3700 -9.3700 -9.3699 -9.3699 -2.7296 -2.7296 -2.7294 -2.7294 -0.3831 -0.3831 -0.3803 -0.3803 -0.1343 -0.1343 -0.1269 -0.1269 0.1952 0.1952 0.2070 0.2070 2.4514 2.4514 2.4618 2.4618 2.7727 2.7727 2.7849 2.7849 3.1232 3.1232 3.1503 3.1503 3.4683 3.4683 3.4971 3.4971 3.7777 3.7777 3.8249 3.8249 4.0294 4.0294 4.0872 4.0872 4.7048 4.7048 4.7416 4.7416 5.1111 5.1111 5.1461 5.1461 5.3951 5.3951 5.4320 5.4320 5.8514 5.8514 5.8860 5.8860 6.1948 6.1948 6.2337 6.2337 6.6481 6.6481 6.6712 6.6712 6.7938 6.7938 6.8046 6.8046 7.0455 7.0455 7.0791 7.0791 7.4241 7.4241 7.4492 7.4492 7.6265 7.6265 7.6527 7.6527 7.8032 7.8032 7.8238 7.8238 8.1921 8.1921 8.2153 8.2153 8.4131 8.4131 k = 0.2010 0.5514 0.3493 ( 44994 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 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5.1845 5.4200 5.4200 5.4553 5.4553 5.8194 5.8194 5.8555 5.8555 6.1683 6.1683 6.2093 6.2093 6.6616 6.6616 6.6831 6.6831 6.7930 6.7930 6.8052 6.8052 7.0268 7.0268 7.0550 7.0550 7.4066 7.4066 7.4291 7.4291 7.6239 7.6239 7.6505 7.6505 7.8167 7.8167 7.8436 7.8436 8.1744 8.1744 8.1956 8.1956 8.3840 8.3840 k = 0.2261 0.5514 0.3493 ( 44990 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6027 -20.6027 -20.6024 -20.6024 -20.6017 -20.6017 -20.6014 -20.6014 -20.5867 -20.5867 -20.5865 -20.5865 -20.5845 -20.5845 -20.5843 -20.5843 -20.4401 -20.4401 -20.4380 -20.4380 -20.4349 -20.4349 -20.4340 -20.4340 -20.4310 -20.4310 -20.4297 -20.4297 -20.4175 -20.4175 -20.4167 -20.4167 -20.4146 -20.4146 -20.4127 -20.4127 -20.4073 -20.4073 -20.4067 -20.4067 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4.9252 4.9649 4.9649 5.1961 5.1961 5.2553 5.2553 5.4813 5.4813 5.5122 5.5122 5.7553 5.7553 5.7908 5.7908 6.0933 6.0933 6.1401 6.1401 6.6786 6.6786 6.6982 6.6982 6.7813 6.7813 6.7962 6.7962 7.0059 7.0059 7.0259 7.0259 7.4080 7.4080 7.4226 7.4226 7.6035 7.6035 7.6253 7.6253 7.8713 7.8713 7.9014 7.9014 8.1353 8.1353 8.1524 8.1524 8.3570 8.3570 k = 0.2763 0.5514 0.3493 ( 44992 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6028 -20.6028 -20.6024 -20.6024 -20.6017 -20.6017 -20.6013 -20.6013 -20.5867 -20.5867 -20.5865 -20.5865 -20.5845 -20.5845 -20.5842 -20.5842 -20.4401 -20.4401 -20.4379 -20.4379 -20.4348 -20.4348 -20.4341 -20.4341 -20.4310 -20.4310 -20.4297 -20.4297 -20.4176 -20.4176 -20.4167 -20.4167 -20.4147 -20.4147 -20.4126 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2.8281 2.8281 3.1346 3.1346 3.1715 3.1715 3.3160 3.3160 3.3874 3.3874 3.6430 3.6430 3.6580 3.6580 4.0474 4.0474 4.1024 4.1024 5.1036 5.1036 5.1624 5.1624 5.2313 5.2313 5.2959 5.2959 5.5320 5.5320 5.5809 5.5809 5.7221 5.7221 5.7309 5.7309 5.9730 5.9730 6.0308 6.0308 6.7072 6.7072 6.7318 6.7318 6.7472 6.7472 6.7642 6.7642 7.0198 7.0198 7.0387 7.0387 7.4163 7.4163 7.4225 7.4225 7.5833 7.5833 7.5968 7.5968 7.8817 7.8817 7.8904 7.8904 8.1654 8.1654 8.1935 8.1935 8.4052 8.4052 k = 0.3246 0.5090 0.3493 ( 45032 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6028 -20.6028 -20.6024 -20.6024 -20.6017 -20.6017 -20.6014 -20.6014 -20.5867 -20.5867 -20.5865 -20.5865 -20.5845 -20.5845 -20.5843 -20.5843 -20.4401 -20.4401 -20.4379 -20.4379 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8.4694 k = 0.3111 0.4878 0.3493 ( 45012 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6028 -20.6028 -20.6024 -20.6024 -20.6017 -20.6017 -20.6014 -20.6014 -20.5867 -20.5867 -20.5865 -20.5865 -20.5845 -20.5845 -20.5843 -20.5843 -20.4401 -20.4401 -20.4380 -20.4380 -20.4348 -20.4348 -20.4341 -20.4341 -20.4310 -20.4310 -20.4297 -20.4297 -20.4175 -20.4175 -20.4167 -20.4167 -20.4147 -20.4147 -20.4127 -20.4127 -20.4073 -20.4073 -20.4067 -20.4067 -20.4048 -20.4048 -20.4044 -20.4044 -20.3938 -20.3938 -20.3935 -20.3935 -20.3922 -20.3922 -20.3920 -20.3920 -20.3068 -20.3068 -20.3065 -20.3065 -20.3054 -20.3054 -20.3050 -20.3050 -20.2930 -20.2930 -20.2927 -20.2927 -20.2574 -20.2574 -20.2573 -20.2573 -20.2418 -20.2418 -20.2418 -20.2418 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0.2331 0.2331 2.5290 2.5290 2.5511 2.5511 2.8287 2.8287 2.8466 2.8466 3.0924 3.0924 3.1171 3.1171 3.4134 3.4134 3.4809 3.4809 3.5465 3.5465 3.5706 3.5706 4.1020 4.1020 4.1549 4.1549 4.9466 4.9466 4.9798 4.9798 5.2261 5.2261 5.2608 5.2608 5.5693 5.5693 5.6321 5.6321 5.6791 5.6791 5.7186 5.7186 5.9959 5.9959 6.0602 6.0602 6.6714 6.6714 6.6795 6.6795 6.7818 6.7818 6.7969 6.7969 7.0539 7.0539 7.0714 7.0714 7.4606 7.4606 7.4772 7.4772 7.5358 7.5358 7.5585 7.5585 7.8634 7.8634 7.8823 7.8823 8.0409 8.0409 8.0490 8.0490 8.5331 8.5331 k = 0.2976 0.4666 0.3493 ( 45000 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6027 -20.6027 -20.6024 -20.6024 -20.6017 -20.6017 -20.6014 -20.6014 -20.5867 -20.5867 -20.5866 -20.5866 -20.5844 -20.5844 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7.8810 7.8810 7.9749 7.9749 7.9861 7.9861 8.5708 8.5708 k = 0.2840 0.4454 0.3493 ( 44994 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6027 -20.6027 -20.6023 -20.6023 -20.6018 -20.6018 -20.6014 -20.6014 -20.5866 -20.5866 -20.5866 -20.5866 -20.5844 -20.5844 -20.5843 -20.5843 -20.4401 -20.4401 -20.4382 -20.4382 -20.4348 -20.4348 -20.4340 -20.4340 -20.4309 -20.4309 -20.4297 -20.4297 -20.4174 -20.4174 -20.4168 -20.4168 -20.4147 -20.4147 -20.4126 -20.4126 -20.4073 -20.4073 -20.4066 -20.4066 -20.4048 -20.4048 -20.4046 -20.4046 -20.3938 -20.3938 -20.3935 -20.3935 -20.3921 -20.3921 -20.3920 -20.3920 -20.3067 -20.3067 -20.3065 -20.3065 -20.3054 -20.3054 -20.3050 -20.3050 -20.2930 -20.2930 -20.2927 -20.2927 -20.2574 -20.2574 -20.2573 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-0.2195 -0.2195 -0.2123 -0.2123 0.2113 0.2113 0.2232 0.2232 2.5289 2.5289 2.5494 2.5494 2.8603 2.8603 2.8781 2.8781 3.0312 3.0312 3.0550 3.0550 3.4177 3.4177 3.4435 3.4435 3.6198 3.6198 3.6419 3.6419 4.1254 4.1254 4.1770 4.1770 4.7624 4.7624 4.7931 4.7931 5.1397 5.1397 5.1559 5.1559 5.5889 5.5889 5.6428 5.6428 5.7599 5.7599 5.8001 5.8001 6.0448 6.0448 6.1119 6.1119 6.6347 6.6347 6.6442 6.6442 6.8077 6.8077 6.8321 6.8321 7.0855 7.0855 7.1023 7.1023 7.4494 7.4494 7.4720 7.4720 7.5240 7.5240 7.5543 7.5543 7.8492 7.8492 7.8679 7.8679 7.9431 7.9431 7.9641 7.9641 8.6011 8.6011 k = 0.2705 0.4242 0.3493 ( 44984 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 -20.6026 -20.6023 -20.6023 -20.6018 -20.6018 -20.6015 -20.6015 -20.5866 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7.5152 7.5152 7.5465 7.5465 7.8283 7.8283 7.8482 7.8482 7.9606 7.9606 7.9836 7.9836 8.6342 8.6342 k = 0.2570 0.4030 0.3493 ( 44996 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 -20.6026 -20.6023 -20.6023 -20.6018 -20.6018 -20.6015 -20.6015 -20.5866 -20.5866 -20.5866 -20.5866 -20.5844 -20.5844 -20.5843 -20.5843 -20.4401 -20.4401 -20.4384 -20.4384 -20.4348 -20.4348 -20.4340 -20.4340 -20.4308 -20.4308 -20.4296 -20.4296 -20.4174 -20.4174 -20.4168 -20.4168 -20.4147 -20.4147 -20.4126 -20.4126 -20.4072 -20.4072 -20.4066 -20.4066 -20.4049 -20.4049 -20.4047 -20.4047 -20.3938 -20.3938 -20.3936 -20.3936 -20.3921 -20.3921 -20.3920 -20.3920 -20.3067 -20.3067 -20.3064 -20.3064 -20.3054 -20.3054 -20.3049 -20.3049 -20.2931 -20.2931 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-2.7351 -2.7351 -0.3310 -0.3310 -0.3258 -0.3258 -0.1741 -0.1741 -0.1657 -0.1657 0.1973 0.1973 0.2096 0.2096 2.5153 2.5153 2.5322 2.5322 2.8921 2.8921 2.9093 2.9093 2.9840 2.9840 3.0107 3.0107 3.3390 3.3390 3.3583 3.3583 3.7690 3.7690 3.8009 3.8009 4.1177 4.1177 4.1656 4.1656 4.6129 4.6129 4.6485 4.6485 5.0013 5.0013 5.0232 5.0232 5.5933 5.5933 5.6375 5.6375 5.8470 5.8470 5.8842 5.8842 6.1261 6.1261 6.1805 6.1805 6.6400 6.6400 6.6482 6.6482 6.8044 6.8044 6.8381 6.8381 7.1073 7.1073 7.1230 7.1230 7.3980 7.3980 7.4175 7.4175 7.5175 7.5175 7.5482 7.5482 7.8199 7.8199 7.8445 7.8445 8.0032 8.0032 8.0248 8.0248 8.6705 8.6705 k = 0.2435 0.3818 0.3493 ( 45022 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 -20.6026 -20.6023 -20.6023 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-9.3701 -9.3699 -9.3699 -2.7430 -2.7430 -2.7428 -2.7428 -0.3228 -0.3228 -0.3182 -0.3182 -0.1271 -0.1271 -0.1173 -0.1173 0.1808 0.1808 0.1937 0.1937 2.4898 2.4898 2.5023 2.5023 2.9089 2.9089 2.9142 2.9142 2.9648 2.9648 2.9821 2.9821 3.2784 3.2784 3.3030 3.3030 3.8722 3.8722 3.9063 3.9063 4.1125 4.1125 4.1441 4.1441 4.5329 4.5329 4.5749 4.5749 4.8556 4.8556 4.8846 4.8846 5.5694 5.5694 5.6032 5.6032 5.9025 5.9025 5.9419 5.9419 6.2303 6.2303 6.2619 6.2619 6.6710 6.6710 6.6752 6.6752 6.7929 6.7929 6.8217 6.8217 7.1088 7.1088 7.1292 7.1292 7.3107 7.3107 7.3331 7.3331 7.5722 7.5722 7.6026 7.6026 7.8492 7.8492 7.8834 7.8834 8.1249 8.1249 8.1434 8.1434 8.7412 8.7412 k = 0.2164 0.3393 0.3493 ( 44982 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 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6.6831 6.8039 6.8039 6.8216 6.8216 7.0939 7.0939 7.1199 7.1199 7.2923 7.2923 7.3222 7.3222 7.6167 7.6167 7.6476 7.6476 7.8802 7.8802 7.9180 7.9180 8.1977 8.1977 8.2152 8.2152 8.7677 8.7677 k = 0.2029 0.3181 0.3493 ( 44964 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6024 -20.6024 -20.6022 -20.6022 -20.6019 -20.6019 -20.6017 -20.6017 -20.5867 -20.5867 -20.5865 -20.5865 -20.5844 -20.5844 -20.5843 -20.5843 -20.4400 -20.4400 -20.4387 -20.4387 -20.4347 -20.4347 -20.4339 -20.4339 -20.4307 -20.4307 -20.4295 -20.4295 -20.4174 -20.4174 -20.4166 -20.4166 -20.4149 -20.4149 -20.4123 -20.4123 -20.4072 -20.4072 -20.4065 -20.4065 -20.4052 -20.4052 -20.4046 -20.4046 -20.3938 -20.3938 -20.3936 -20.3936 -20.3922 -20.3922 -20.3919 -20.3919 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6.3645 6.3645 6.3805 6.3805 6.6530 6.6530 6.6841 6.6841 6.8296 6.8296 6.8448 6.8448 7.0756 7.0756 7.1171 7.1171 7.3333 7.3333 7.3746 7.3746 7.7270 7.7270 7.7581 7.7581 7.9630 7.9630 8.0061 8.0061 8.3604 8.3604 8.3764 8.3764 8.7946 8.7946 k = 0.1758 0.2757 0.3493 ( 44982 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6024 -20.6024 -20.6022 -20.6022 -20.6019 -20.6019 -20.6017 -20.6017 -20.5867 -20.5867 -20.5865 -20.5865 -20.5844 -20.5844 -20.5843 -20.5843 -20.4399 -20.4399 -20.4389 -20.4389 -20.4347 -20.4347 -20.4340 -20.4340 -20.4307 -20.4307 -20.4295 -20.4295 -20.4174 -20.4174 -20.4166 -20.4166 -20.4150 -20.4150 -20.4121 -20.4121 -20.4073 -20.4073 -20.4065 -20.4065 -20.4053 -20.4053 -20.4045 -20.4045 -20.3938 -20.3938 -20.3936 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5.5136 5.5136 5.8451 5.8451 5.8642 5.8642 6.3565 6.3565 6.3687 6.3687 6.6756 6.6756 6.7082 6.7082 6.8467 6.8467 6.8729 6.8729 7.1486 7.1486 7.2053 7.2053 7.4304 7.4304 7.4807 7.4807 7.8545 7.8545 7.8842 7.8842 8.0640 8.0640 8.1095 8.1095 8.5375 8.5375 8.5535 8.5535 8.7973 8.7973 k = 0.1488 0.2333 0.3493 ( 44976 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6024 -20.6024 -20.6022 -20.6022 -20.6019 -20.6019 -20.6018 -20.6018 -20.5868 -20.5868 -20.5865 -20.5865 -20.5844 -20.5844 -20.5842 -20.5842 -20.4399 -20.4399 -20.4390 -20.4390 -20.4347 -20.4347 -20.4340 -20.4340 -20.4307 -20.4307 -20.4295 -20.4295 -20.4175 -20.4175 -20.4166 -20.4166 -20.4150 -20.4150 -20.4119 -20.4119 -20.4073 -20.4073 -20.4065 -20.4065 -20.4054 -20.4054 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-9.4624 -9.4624 -9.4622 -9.4622 -9.4559 -9.4559 -9.4556 -9.4556 -9.4287 -9.4287 -9.4286 -9.4286 -9.3819 -9.3819 -9.3815 -9.3815 -9.3702 -9.3702 -9.3699 -9.3699 -2.7701 -2.7701 -2.7700 -2.7700 -0.2479 -0.2479 -0.2436 -0.2436 0.0046 0.0046 0.0192 0.0192 0.1355 0.1355 0.1509 0.1509 2.3481 2.3481 2.3538 2.3538 2.7710 2.7710 2.7911 2.7911 2.9665 2.9665 2.9848 2.9848 3.2933 3.2933 3.3343 3.3343 3.7455 3.7455 3.7648 3.7648 4.1184 4.1184 4.1457 4.1457 4.4775 4.4775 4.5013 4.5013 4.7988 4.7988 4.8078 4.8078 5.4731 5.4731 5.5133 5.5133 5.8186 5.8186 5.8366 5.8366 6.3302 6.3302 6.3390 6.3390 6.6738 6.6738 6.7033 6.7033 6.8871 6.8871 6.9285 6.9285 7.2084 7.2084 7.2713 7.2713 7.4893 7.4893 7.5439 7.5439 7.9207 7.9207 7.9485 7.9485 8.1185 8.1185 8.1638 8.1638 8.6230 8.6230 8.6420 8.6420 8.7994 8.7994 k = 0.1353 0.2121 0.3493 ( 44988 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 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4.8291 4.8387 4.8387 5.4629 5.4629 5.5095 5.5095 5.8030 5.8030 5.8246 5.8246 6.3029 6.3029 6.3097 6.3097 6.6591 6.6591 6.6870 6.6870 6.9532 6.9532 7.0044 7.0044 7.2754 7.2754 7.3440 7.3440 7.5518 7.5518 7.6104 7.6104 7.9861 7.9861 8.0106 8.0106 8.1743 8.1743 8.2178 8.2178 8.6871 8.6871 8.7169 8.7169 8.8208 8.8208 k = 0.1217 0.1909 0.3493 ( 44974 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6024 -20.6024 -20.6022 -20.6022 -20.6019 -20.6019 -20.6018 -20.6018 -20.5868 -20.5868 -20.5865 -20.5865 -20.5844 -20.5844 -20.5842 -20.5842 -20.4398 -20.4398 -20.4391 -20.4391 -20.4346 -20.4346 -20.4341 -20.4341 -20.4307 -20.4307 -20.4294 -20.4294 -20.4175 -20.4175 -20.4166 -20.4166 -20.4150 -20.4150 -20.4117 -20.4117 -20.4074 -20.4074 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4.1164 4.3803 4.3803 4.4100 4.4100 4.8483 4.8483 4.8612 4.8612 5.4048 5.4048 5.4478 5.4478 5.8308 5.8308 5.8568 5.8568 6.2845 6.2845 6.2929 6.2929 6.6235 6.6235 6.6503 6.6503 7.1178 7.1178 7.1794 7.1794 7.4218 7.4218 7.4998 7.4998 7.6770 7.6770 7.7431 7.7431 8.1004 8.1004 8.1153 8.1153 8.2798 8.2798 8.3136 8.3136 8.7063 8.7063 8.7560 8.7560 8.8817 8.8817 k = 0.0947 0.1485 0.3493 ( 44962 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6024 -20.6024 -20.6022 -20.6022 -20.6019 -20.6019 -20.6018 -20.6018 -20.5868 -20.5868 -20.5865 -20.5865 -20.5844 -20.5844 -20.5842 -20.5842 -20.4398 -20.4398 -20.4392 -20.4392 -20.4346 -20.4346 -20.4341 -20.4341 -20.4307 -20.4307 -20.4293 -20.4293 -20.4175 -20.4175 -20.4167 -20.4167 -20.4150 -20.4150 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3.7444 4.0642 4.0642 4.1044 4.1044 4.3554 4.3554 4.3832 4.3832 4.8377 4.8377 4.8517 4.8517 5.2988 5.2988 5.3294 5.3294 5.8649 5.8649 5.8900 5.8900 6.3756 6.3756 6.3800 6.3800 6.6036 6.6036 6.6350 6.6350 7.2929 7.2929 7.3607 7.3607 7.5771 7.5771 7.6610 7.6610 7.7784 7.7784 7.8484 7.8484 8.1528 8.1528 8.1793 8.1793 8.3271 8.3271 8.3428 8.3428 8.6856 8.6856 8.7035 8.7035 8.7361 8.7361 k = 0.0676 0.1060 0.3493 ( 44988 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6024 -20.6024 -20.6022 -20.6022 -20.6019 -20.6019 -20.6018 -20.6018 -20.5868 -20.5868 -20.5865 -20.5865 -20.5844 -20.5844 -20.5842 -20.5842 -20.4397 -20.4397 -20.4393 -20.4393 -20.4346 -20.4346 -20.4342 -20.4342 -20.4307 -20.4307 -20.4293 -20.4293 -20.4175 -20.4175 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PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6024 -20.6024 -20.6022 -20.6022 -20.6018 -20.6018 -20.6018 -20.6018 -20.5869 -20.5869 -20.5866 -20.5866 -20.5844 -20.5844 -20.5842 -20.5842 -20.4396 -20.4396 -20.4394 -20.4394 -20.4345 -20.4345 -20.4343 -20.4343 -20.4308 -20.4308 -20.4292 -20.4292 -20.4175 -20.4175 -20.4169 -20.4169 -20.4149 -20.4149 -20.4112 -20.4112 -20.4075 -20.4075 -20.4067 -20.4067 -20.4054 -20.4054 -20.4043 -20.4043 -20.3936 -20.3936 -20.3936 -20.3936 -20.3925 -20.3925 -20.3920 -20.3920 -20.3068 -20.3068 -20.3066 -20.3066 -20.3050 -20.3050 -20.3048 -20.3048 -20.2931 -20.2931 -20.2929 -20.2929 -20.2574 -20.2574 -20.2574 -20.2574 -20.2418 -20.2418 -20.2418 -20.2418 -20.1428 -20.1428 -20.1427 -20.1427 -20.1358 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2.6687 2.6770 2.6770 2.9629 2.9629 2.9645 2.9645 3.2842 3.2842 3.3111 3.3111 3.7595 3.7595 3.7626 3.7626 4.0534 4.0534 4.0740 4.0740 4.3868 4.3868 4.3878 4.3878 4.8634 4.8634 4.8714 4.8714 5.0224 5.0224 5.0230 5.0230 5.8374 5.8374 5.8543 5.8543 6.5099 6.5099 6.5197 6.5197 7.1078 7.1078 7.1388 7.1388 7.3807 7.3807 7.3815 7.3815 7.7881 7.7881 7.8545 7.8545 7.9777 7.9777 7.9822 7.9822 8.0270 8.0270 8.0497 8.0497 8.1635 8.1635 8.2035 8.2035 8.5039 8.5039 8.5141 8.5141 8.7240 8.7240 k = 0.0000 0.0000 0.3493 ( 45018 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6024 -20.6024 -20.6022 -20.6022 -20.6018 -20.6018 -20.6018 -20.6018 -20.5869 -20.5869 -20.5866 -20.5866 -20.5844 -20.5844 -20.5842 -20.5842 -20.4396 -20.4396 -20.4394 -20.4394 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= 0.0000 0.0000 0.3243 ( 45030 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6025 -20.6024 -20.6022 -20.6022 -20.6018 -20.6018 -20.6018 -20.6018 -20.5869 -20.5868 -20.5866 -20.5865 -20.5845 -20.5843 -20.5843 -20.5842 -20.4397 -20.4395 -20.4395 -20.4393 -20.4346 -20.4345 -20.4344 -20.4342 -20.4309 -20.4307 -20.4293 -20.4291 -20.4176 -20.4175 -20.4171 -20.4167 -20.4150 -20.4148 -20.4113 -20.4112 -20.4076 -20.4075 -20.4068 -20.4067 -20.4055 -20.4054 -20.4043 -20.4042 -20.3936 -20.3936 -20.3936 -20.3936 -20.3925 -20.3924 -20.3921 -20.3920 -20.3068 -20.3068 -20.3066 -20.3066 -20.3050 -20.3049 -20.3049 -20.3048 -20.2931 -20.2931 -20.2930 -20.2929 -20.2574 -20.2574 -20.2574 -20.2574 -20.2418 -20.2418 -20.2418 -20.2418 -20.1428 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2.0440 2.0459 2.1116 2.1132 2.6537 2.6615 2.6861 2.6949 2.9611 2.9625 2.9662 2.9712 3.2682 3.2962 3.3038 3.3299 3.7530 3.7562 3.7581 3.7609 4.0379 4.0516 4.0588 4.0716 4.3832 4.3858 4.4032 4.4032 4.8220 4.8229 4.8986 4.9172 4.9831 4.9867 5.0775 5.0841 5.8084 5.8275 5.8812 5.8961 6.3789 6.3903 6.6424 6.6504 7.1047 7.1067 7.1342 7.1398 7.3648 7.3656 7.3863 7.3893 7.7272 7.7750 7.7884 7.8367 7.9180 7.9448 7.9659 7.9665 8.0588 8.0592 8.0799 8.1237 8.1452 8.1814 8.2242 8.2499 8.4772 8.4841 8.5345 8.5500 8.6857 8.7034 k = 0.0000 0.0000 0.2994 ( 45002 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6025 -20.6024 -20.6023 -20.6022 -20.6019 -20.6018 -20.6018 -20.6017 -20.5869 -20.5868 -20.5866 -20.5865 -20.5845 -20.5844 -20.5842 -20.5841 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8.4573 8.5722 8.5961 8.6488 8.6831 k = 0.0000 0.0000 0.2744 ( 45034 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6025 -20.6024 -20.6023 -20.6022 -20.6019 -20.6019 -20.6018 -20.6017 -20.5869 -20.5868 -20.5867 -20.5865 -20.5846 -20.5845 -20.5841 -20.5840 -20.4399 -20.4397 -20.4393 -20.4391 -20.4348 -20.4346 -20.4343 -20.4341 -20.4310 -20.4304 -20.4295 -20.4289 -20.4178 -20.4175 -20.4173 -20.4163 -20.4152 -20.4145 -20.4114 -20.4112 -20.4077 -20.4073 -20.4069 -20.4066 -20.4056 -20.4052 -20.4045 -20.4041 -20.3937 -20.3936 -20.3936 -20.3935 -20.3926 -20.3923 -20.3922 -20.3919 -20.3069 -20.3068 -20.3066 -20.3066 -20.3051 -20.3049 -20.3049 -20.3048 -20.2932 -20.2930 -20.2930 -20.2929 -20.2574 -20.2574 -20.2574 -20.2574 -20.2418 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0.1356 0.1531 0.1661 0.1666 0.1721 1.9678 1.9698 2.1667 2.1678 2.6301 2.6367 2.7284 2.7379 2.9634 2.9695 2.9820 2.9944 3.2504 3.2821 3.3491 3.3749 3.7216 3.7231 3.7331 3.7381 3.9684 3.9918 3.9997 4.0164 4.3970 4.4047 4.4771 4.4784 4.6885 4.6934 4.9713 5.0007 5.0245 5.0306 5.2010 5.2167 5.7992 5.8226 6.0026 6.0152 6.1374 6.1527 6.8947 6.8969 7.0836 7.0987 7.1070 7.1391 7.2689 7.2760 7.3775 7.3858 7.5248 7.5390 7.6635 7.7158 7.7846 7.7934 7.9481 7.9576 8.0094 8.0496 8.1888 8.2331 8.2346 8.2593 8.3883 8.3970 8.4281 8.4331 8.6057 8.6116 8.6672 8.6810 k = 0.0000 0.0000 0.2495 ( 45014 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6025 -20.6024 -20.6023 -20.6021 -20.6019 -20.6019 -20.6017 -20.6017 -20.5869 -20.5867 -20.5867 -20.5864 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-9.3814 -9.3703 -9.3701 -9.3700 -9.3699 -2.8913 -2.8913 -2.6948 -2.6948 -0.4156 -0.4155 0.0410 0.0424 0.0932 0.0984 0.1372 0.1430 0.1733 0.1748 0.3133 0.3134 1.6933 1.6940 2.2596 2.2597 2.6061 2.6080 2.9793 2.9909 3.0043 3.0214 3.1234 3.1633 3.3123 3.3388 3.3931 3.4366 3.5156 3.5591 3.5823 3.6254 3.6666 3.7042 3.7972 3.7985 4.0922 4.0934 4.4821 4.4927 4.9021 4.9171 5.1469 5.1499 5.6085 5.6308 5.7584 5.7720 5.9771 5.9919 6.1845 6.1854 6.3957 6.4081 6.5932 6.5992 6.6197 6.6282 6.6704 6.6803 6.7927 6.8062 7.2125 7.2274 7.2423 7.2545 7.5569 7.5676 7.6545 7.6732 7.7947 7.8115 7.8614 7.8641 7.9148 7.9674 8.3264 8.3400 8.4281 8.4526 8.4711 8.4786 8.6296 8.6396 8.6498 8.6520 k = 0.0000 0.0000 0.0499 ( 44986 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5385 -48.5385 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 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6.6462 6.6635 6.7246 6.7488 7.1951 7.1962 7.2715 7.3046 7.5457 7.5497 7.6278 7.6477 7.7697 7.8010 7.8353 7.8459 7.8813 7.9453 8.3378 8.3457 8.4323 8.4488 8.4615 8.4701 8.6354 8.6390 8.6729 8.6762 k = 0.0000 0.0000 0.0249 ( 45009 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6025 -20.6025 -20.6023 -20.6023 -20.6019 -20.6019 -20.6016 -20.6016 -20.5869 -20.5869 -20.5862 -20.5861 -20.5853 -20.5852 -20.5837 -20.5837 -20.4402 -20.4402 -20.4384 -20.4383 -20.4356 -20.4356 -20.4339 -20.4339 -20.4308 -20.4306 -20.4290 -20.4288 -20.4184 -20.4184 -20.4167 -20.4165 -20.4136 -20.4131 -20.4126 -20.4123 -20.4076 -20.4076 -20.4065 -20.4064 -20.4056 -20.4055 -20.4043 -20.4042 -20.3936 -20.3936 -20.3934 -20.3934 -20.3929 -20.3928 -20.3918 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-9.4285 -9.4285 -9.3819 -9.3818 -9.3815 -9.3814 -9.3702 -9.3702 -9.3700 -9.3699 -2.8958 -2.8958 -2.6888 -2.6887 -0.4304 -0.4304 0.0391 0.0395 0.0997 0.1018 0.1374 0.1398 0.1742 0.1747 0.3365 0.3366 1.6659 1.6662 2.2634 2.2634 2.6080 2.6086 2.9874 2.9891 3.0652 3.0739 3.1717 3.2174 3.2572 3.2912 3.3555 3.3719 3.5591 3.5826 3.6069 3.6083 3.6317 3.6680 3.8005 3.8025 4.0089 4.0099 4.5857 4.5963 4.7339 4.7455 5.2931 5.2945 5.7696 5.7916 5.8500 5.8659 5.9753 5.9775 6.1699 6.1861 6.3936 6.4303 6.4787 6.4835 6.5354 6.5776 6.6720 6.6793 6.6807 6.7061 7.1708 7.1727 7.3301 7.3591 7.5323 7.5372 7.5641 7.5841 7.7817 7.8097 7.8210 7.8326 7.8763 7.9222 8.3437 8.3472 8.4374 8.4444 8.4569 8.4635 8.6349 8.6359 8.6837 8.6850 k = 0.0000 0.0000 0.0000 ( 45019 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 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6.3525 6.4618 6.4618 6.5653 6.5653 6.6763 6.6763 6.6850 6.6850 7.1628 7.1628 7.3774 7.3774 7.5283 7.5283 7.5378 7.5378 7.8055 7.8055 7.8162 7.8162 7.8973 7.8973 8.3465 8.3465 8.4410 8.4410 8.4582 8.4582 8.6347 8.6347 8.6868 8.6868 k = 0.0000 0.0000 0.0000 ( 45019 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6025 -20.6025 -20.6023 -20.6023 -20.6019 -20.6019 -20.6016 -20.6016 -20.5869 -20.5869 -20.5862 -20.5862 -20.5853 -20.5853 -20.5837 -20.5837 -20.4402 -20.4402 -20.4383 -20.4383 -20.4356 -20.4356 -20.4339 -20.4339 -20.4307 -20.4307 -20.4289 -20.4289 -20.4184 -20.4184 -20.4166 -20.4166 -20.4133 -20.4133 -20.4125 -20.4125 -20.4076 -20.4076 -20.4065 -20.4065 -20.4056 -20.4056 -20.4042 -20.4042 -20.3936 -20.3936 -20.3934 -20.3934 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-9.4555 -9.4288 -9.4288 -9.4285 -9.4285 -9.3819 -9.3819 -9.3815 -9.3815 -9.3702 -9.3702 -9.3699 -9.3699 -2.8964 -2.8964 -2.6880 -2.6880 -0.4323 -0.4323 0.0390 0.0390 0.1014 0.1014 0.1384 0.1384 0.1745 0.1745 0.3396 0.3396 1.6625 1.6625 2.2638 2.2638 2.6085 2.6085 2.9882 2.9882 3.0797 3.0797 3.1991 3.1991 3.2708 3.2708 3.3519 3.3519 3.5816 3.5816 3.5995 3.5995 3.6513 3.6513 3.8014 3.8014 3.9972 3.9972 4.6479 4.6479 4.6742 4.6742 5.3174 5.3174 5.8313 5.8313 5.8545 5.8545 5.9355 5.9355 6.2413 6.2413 6.3525 6.3525 6.4618 6.4618 6.5653 6.5653 6.6763 6.6763 6.6850 6.6850 7.1628 7.1628 7.3774 7.3774 7.5283 7.5283 7.5378 7.5378 7.8055 7.8055 7.8162 7.8162 7.8973 7.8973 8.3465 8.3465 8.4410 8.4410 8.4582 8.4582 8.6347 8.6347 8.6868 8.6868 k =-0.0217 0.0139 0.0000 ( 44985 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5385 -48.5385 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 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5.9764 6.2292 6.2349 6.3426 6.3526 6.4489 6.4623 6.5654 6.5669 6.6652 6.6815 6.7038 6.7079 7.1550 7.1648 7.3785 7.3844 7.5278 7.5326 7.5434 7.5518 7.7694 7.7920 7.8197 7.8218 7.8779 7.9058 8.2743 8.2768 8.3721 8.3927 8.4814 8.4978 8.6188 8.6408 8.7012 8.7097 k =-0.0435 0.0277 0.0000 ( 44981 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5385 -48.5385 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6026 -20.6024 -20.6024 -20.6023 -20.6020 -20.6018 -20.6016 -20.6015 -20.5869 -20.5869 -20.5862 -20.5861 -20.5853 -20.5853 -20.5837 -20.5837 -20.4404 -20.4399 -20.4385 -20.4381 -20.4356 -20.4355 -20.4340 -20.4339 -20.4311 -20.4304 -20.4293 -20.4286 -20.4184 -20.4184 -20.4166 -20.4166 -20.4137 -20.4130 -20.4127 -20.4122 -20.4076 -20.4076 -20.4065 -20.4064 -20.4056 -20.4055 -20.4044 -20.4040 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-2.7162 -2.7161 -2.7161 -0.4205 -0.4205 -0.4198 -0.4198 -0.1045 -0.1045 -0.0960 -0.0960 0.1687 0.1687 0.1779 0.1779 2.3052 2.3052 2.3102 2.3102 2.7580 2.7580 2.7632 2.7632 3.2246 3.2246 3.2588 3.2588 3.3909 3.3909 3.3988 3.3988 3.8885 3.8885 3.9285 3.9285 4.1288 4.1288 4.1577 4.1577 4.4479 4.4479 4.4617 4.4617 5.1585 5.1585 5.1663 5.1663 6.0582 6.0582 6.0623 6.0623 6.2205 6.2205 6.2434 6.2434 6.3206 6.3206 6.3691 6.3691 6.5700 6.5700 6.6027 6.6027 6.7433 6.7433 6.7458 6.7458 7.0905 7.0905 7.1126 7.1126 7.2556 7.2556 7.2610 7.2610 7.5496 7.5496 7.5703 7.5703 8.0187 8.0187 8.0410 8.0410 8.1461 8.1461 8.1464 8.1464 8.2919 8.2919 k =-0.5000 0.3189 0.3243 ( 45036 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6030 -20.6030 -20.6027 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-2.7785 -2.7785 -0.1903 -0.1903 -0.1855 -0.1855 0.0098 0.0098 0.0282 0.0282 0.1483 0.1483 0.1647 0.1647 2.2653 2.2653 2.2710 2.2710 2.7240 2.7240 2.7359 2.7359 2.8374 2.8374 2.8648 2.8648 3.3286 3.3286 3.3644 3.3644 3.7031 3.7031 3.7284 3.7284 3.9250 3.9250 3.9592 3.9592 4.6289 4.6289 4.6407 4.6407 4.9998 4.9998 5.0365 5.0365 5.2323 5.2323 5.2596 5.2596 6.1205 6.1205 6.1459 6.1459 6.5265 6.5265 6.5573 6.5573 6.7132 6.7132 6.7618 6.7618 7.0614 7.0614 7.1032 7.1032 7.3829 7.3829 7.4327 7.4327 7.4860 7.4860 7.5170 7.5170 7.8870 7.8870 7.9026 7.9026 8.2586 8.2586 8.2914 8.2914 8.4171 8.4171 8.4506 8.4506 8.7263 8.7263 k =-0.1957 0.1248 0.3493 ( 44982 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6027 -20.6027 -20.6023 -20.6023 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3.8625 3.8625 3.9109 3.9109 4.0511 4.0511 4.0984 4.0984 4.5305 4.5305 4.5543 4.5543 5.1915 5.1915 5.1999 5.1999 5.9914 5.9914 6.0090 6.0090 6.1486 6.1486 6.1818 6.1818 6.3023 6.3023 6.3338 6.3338 6.5783 6.5783 6.6368 6.6368 6.8017 6.8017 6.8570 6.8570 7.1247 7.1247 7.1529 7.1529 7.2501 7.2501 7.2692 7.2692 7.5390 7.5390 7.5606 7.5606 8.0078 8.0078 8.0295 8.0295 8.1084 8.1084 8.1293 8.1293 8.3098 8.3098 k =-0.4783 0.3050 0.3493 ( 45032 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6030 -20.6030 -20.6027 -20.6027 -20.6013 -20.6013 -20.6012 -20.6012 -20.5869 -20.5869 -20.5866 -20.5866 -20.5843 -20.5843 -20.5843 -20.5843 -20.4399 -20.4399 -20.4373 -20.4373 -20.4349 -20.4349 -20.4340 -20.4340 -20.4315 -20.4315 -20.4301 -20.4301 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-9.5600 -9.5600 -9.5598 -9.5598 -9.5483 -9.5483 -9.5481 -9.5481 -9.5124 -9.5124 -9.5123 -9.5123 -9.5066 -9.5066 -9.5063 -9.5063 -9.4623 -9.4623 -9.4620 -9.4620 -9.4559 -9.4559 -9.4557 -9.4557 -9.4286 -9.4286 -9.4284 -9.4284 -9.3819 -9.3819 -9.3815 -9.3815 -9.3698 -9.3698 -9.3696 -9.3696 -2.7166 -2.7166 -2.7166 -2.7166 -0.4190 -0.4190 -0.4183 -0.4183 -0.1040 -0.1040 -0.0954 -0.0954 0.1685 0.1685 0.1778 0.1778 2.3059 2.3059 2.3110 2.3110 2.7582 2.7582 2.7643 2.7643 3.2232 3.2232 3.2587 3.2587 3.3870 3.3870 3.3984 3.3984 3.8818 3.8818 3.9240 3.9240 4.1042 4.1042 4.1404 4.1404 4.4710 4.4710 4.4900 4.4900 5.1670 5.1670 5.1750 5.1750 6.0384 6.0384 6.0497 6.0497 6.1979 6.1979 6.2281 6.2281 6.3179 6.3179 6.3608 6.3608 6.5651 6.5651 6.6152 6.6152 6.7493 6.7493 6.7892 6.7892 7.0998 7.0998 7.1239 7.1239 7.2528 7.2528 7.2628 7.2628 7.5467 7.5467 7.5677 7.5677 8.0161 8.0161 8.0385 8.0385 8.1303 8.1303 8.1439 8.1439 8.3002 8.3002 k =-0.5000 0.3189 0.3493 ( 45032 PWs) bands (ev): -48.5524 -48.5524 -48.5524 -48.5524 -48.5523 -48.5523 -48.5523 -48.5523 -48.5387 -48.5387 -48.5387 -48.5387 -48.5386 -48.5386 -48.5386 -48.5386 -48.3794 -48.3794 -48.3794 -48.3794 -48.2487 -48.2487 -48.2487 -48.2487 -48.2477 -48.2477 -48.2477 -48.2477 -48.2432 -48.2432 -48.2432 -48.2432 -20.6030 -20.6030 -20.6027 -20.6027 -20.6013 -20.6013 -20.6012 -20.6012 -20.5869 -20.5869 -20.5866 -20.5866 -20.5843 -20.5843 -20.5843 -20.5843 -20.4399 -20.4399 -20.4373 -20.4373 -20.4349 -20.4349 -20.4340 -20.4340 -20.4314 -20.4314 -20.4301 -20.4301 -20.4178 -20.4178 -20.4170 -20.4170 -20.4144 -20.4144 -20.4125 -20.4125 -20.4075 -20.4075 -20.4072 -20.4072 -20.4047 -20.4047 -20.4037 -20.4037 -20.3934 -20.3934 -20.3933 -20.3933 -20.3926 -20.3926 -20.3921 -20.3921 -20.3069 -20.3069 -20.3067 -20.3067 -20.3055 -20.3055 -20.3051 -20.3051 -20.2928 -20.2928 -20.2926 -20.2926 -20.2574 -20.2574 -20.2574 -20.2574 -20.2418 -20.2418 -20.2418 -20.2418 -20.1428 -20.1428 -20.1428 -20.1428 -20.1357 -20.1357 -20.1356 -20.1356 -20.1238 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3.2588 3.2588 3.3909 3.3909 3.3988 3.3988 3.8885 3.8885 3.9285 3.9285 4.1288 4.1288 4.1577 4.1577 4.4479 4.4479 4.4617 4.4617 5.1585 5.1585 5.1663 5.1663 6.0582 6.0582 6.0623 6.0623 6.2205 6.2205 6.2434 6.2434 6.3206 6.3206 6.3691 6.3691 6.5700 6.5700 6.6027 6.6027 6.7433 6.7433 6.7458 6.7458 7.0905 7.0905 7.1126 7.1126 7.2556 7.2556 7.2610 7.2610 7.5496 7.5496 7.5703 7.5703 8.0187 8.0187 8.0410 8.0410 8.1461 8.1461 8.1464 8.1464 8.2919 8.2919 Writing output data file Na2In.save init_run : 2.62s CPU 1.81s WALL ( 1 calls) electrons : 7661.64s CPU 7683.71s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.17s CPU 0.24s WALL ( 1 calls) Called by electrons: c_bands : 7661.61s CPU 7683.68s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.04s WALL ( 1 calls) v_h : 0.01s CPU 0.00s WALL ( 1 calls) v_xc : 0.06s CPU 0.03s WALL ( 1 calls) newd : 0.86s CPU 0.52s WALL ( 1 calls) Called by c_bands: init_us_2 : 2.73s CPU 1.57s WALL ( 216 calls) cegterg : 6931.76s CPU 6165.19s WALL ( 264 calls) Called by sum_band: Called by *egterg: h_psi : 3132.68s CPU 2161.17s WALL ( 4830 calls) s_psi : 305.98s CPU 306.60s WALL ( 4830 calls) g_psi : 14.86s CPU 14.89s WALL ( 4350 calls) cdiaghg : 2054.00s CPU 2092.03s WALL ( 4566 calls) cegterg:over : 719.63s CPU 719.64s WALL ( 4350 calls) cegterg:upda : 592.64s CPU 626.71s WALL ( 4350 calls) cegterg:last : 383.53s CPU 383.94s WALL ( 696 calls) cdiaghg:chol : 140.10s CPU 143.04s WALL ( 4566 calls) cdiaghg:inve : 112.48s CPU 114.44s WALL ( 4566 calls) cdiaghg:para : 270.89s CPU 273.70s WALL ( 9132 calls) Called by h_psi: h_psi:vloc : 2532.45s CPU 1560.75s WALL ( 4830 calls) h_psi:vnl : 575.27s CPU 576.59s WALL ( 4830 calls) add_vuspsi : 288.06s CPU 289.44s WALL ( 4830 calls) General routines calbec : 287.16s CPU 287.13s WALL ( 4830 calls) fft : 0.09s CPU 0.05s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 2413.80s CPU 1443.99s WALL ( 2840616 calls) interpolate : 0.05s CPU 0.03s WALL ( 4 calls) davcio : 5.74s CPU 1502.63s WALL ( 432 calls) Parallel routines fft_scatter : 400.06s CPU 391.57s WALL ( 2840639 calls) PWSCF : 2h35m CPU 3h 7m WALL This run was terminated on: 4:38:33 4Aug2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=