Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:44:23 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./NiSb2.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 26 8 1529 877 144 Max 40 27 9 1534 893 149 Sum 1249 863 261 48959 28315 4675 bravais-lattice index = 14 lattice parameter (alat) = 6.5778 a.u. unit-cell volume = 769.3475 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.577758 celldm(2)= 1.489227 celldm(3)= 1.815215 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.489227 0.000000 ) a(3) = ( 0.000000 0.000000 1.815215 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.671489 -0.000000 ) b(3) = ( 0.000000 0.000000 0.550899 ) PseudoPot. # 1 for Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /home/autes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sb 5.00 121.76000 Sb( 1.00) Ni 10.00 58.69340 Ni( 1.00) 8 Sym. Ops., with inversion, found ( 4 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 =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.7446133 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.9076074 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.7446133 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.9076074 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.7446133 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.9076074 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.7446133 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.9076074 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 C2' -C2' 3 -3 C2'' -C2'' 4 -4 i 5 s_v -s_v 6 -6 s_v'-s_v' 7 -7 s_v''-s_v' 8 -8 -E -1 -i -5 Cartesian axes number of k points= 420 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 2) = ( 0.0108696 -0.0000000 -0.0000000), wk = 0.0023810 k( 3) = ( 0.0217391 -0.0000000 -0.0000000), wk = 0.0023810 k( 4) = ( 0.0326087 -0.0000000 -0.0000000), wk = 0.0023810 k( 5) = ( 0.0434783 -0.0000000 -0.0000000), wk = 0.0023810 k( 6) = ( 0.0543478 -0.0000000 -0.0000000), wk = 0.0023810 k( 7) = ( 0.0652174 -0.0000000 -0.0000000), wk = 0.0023810 k( 8) = ( 0.0760870 -0.0000000 -0.0000000), wk = 0.0023810 k( 9) = ( 0.0869565 -0.0000000 -0.0000000), wk = 0.0023810 k( 10) = ( 0.0978261 -0.0000000 -0.0000000), wk = 0.0023810 k( 11) = ( 0.1086957 -0.0000000 -0.0000000), wk = 0.0023810 k( 12) = ( 0.1195652 -0.0000000 -0.0000000), wk = 0.0023810 k( 13) = ( 0.1304348 -0.0000000 -0.0000000), wk = 0.0023810 k( 14) = ( 0.1413043 -0.0000000 -0.0000000), wk = 0.0023810 k( 15) = ( 0.1521739 -0.0000000 -0.0000000), wk = 0.0023810 k( 16) = ( 0.1630435 -0.0000000 -0.0000000), wk = 0.0023810 k( 17) = ( 0.1739130 -0.0000000 -0.0000000), wk = 0.0023810 k( 18) = ( 0.1847826 -0.0000000 -0.0000000), wk = 0.0023810 k( 19) = ( 0.1956522 -0.0000000 -0.0000000), wk = 0.0023810 k( 20) = ( 0.2065217 -0.0000000 -0.0000000), wk = 0.0023810 k( 21) = ( 0.2173913 -0.0000000 -0.0000000), wk = 0.0023810 k( 22) = ( 0.2282609 -0.0000000 -0.0000000), wk = 0.0023810 k( 23) = ( 0.2391304 -0.0000000 -0.0000000), wk = 0.0023810 k( 24) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0023810 k( 25) = ( 0.2608696 -0.0000000 -0.0000000), wk = 0.0023810 k( 26) = ( 0.2717391 -0.0000000 -0.0000000), wk = 0.0023810 k( 27) = ( 0.2826087 -0.0000000 -0.0000000), wk = 0.0023810 k( 28) = ( 0.2934783 -0.0000000 -0.0000000), wk = 0.0023810 k( 29) = ( 0.3043478 -0.0000000 -0.0000000), wk = 0.0023810 k( 30) = ( 0.3152174 -0.0000000 -0.0000000), wk = 0.0023810 k( 31) = ( 0.3260870 -0.0000000 -0.0000000), wk = 0.0023810 k( 32) = ( 0.3369565 -0.0000000 -0.0000000), wk = 0.0023810 k( 33) = ( 0.3478261 -0.0000000 -0.0000000), wk = 0.0023810 k( 34) = ( 0.3586956 -0.0000000 -0.0000000), wk = 0.0023810 k( 35) = ( 0.3695652 -0.0000000 -0.0000000), wk = 0.0023810 k( 36) = ( 0.3804348 -0.0000000 -0.0000000), wk = 0.0023810 k( 37) = ( 0.3913044 -0.0000000 -0.0000000), wk = 0.0023810 k( 38) = ( 0.4021739 -0.0000000 -0.0000000), wk = 0.0023810 k( 39) = ( 0.4130435 -0.0000000 -0.0000000), wk = 0.0023810 k( 40) = ( 0.4239130 -0.0000000 -0.0000000), wk = 0.0023810 k( 41) = ( 0.4347826 -0.0000000 -0.0000000), wk = 0.0023810 k( 42) = ( 0.4456522 -0.0000000 -0.0000000), wk = 0.0023810 k( 43) = ( 0.4565217 -0.0000000 -0.0000000), wk = 0.0023810 k( 44) = ( 0.4673913 -0.0000000 -0.0000000), wk = 0.0023810 k( 45) = ( 0.4782609 -0.0000000 -0.0000000), wk = 0.0023810 k( 46) = ( 0.4891304 -0.0000000 -0.0000000), wk = 0.0023810 k( 47) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 48) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 49) = ( 0.5000000 0.0108305 -0.0000000), wk = 0.0023810 k( 50) = ( 0.5000000 0.0216609 -0.0000000), wk = 0.0023810 k( 51) = ( 0.5000000 0.0324914 -0.0000000), wk = 0.0023810 k( 52) = ( 0.5000000 0.0433219 -0.0000000), wk = 0.0023810 k( 53) = ( 0.5000000 0.0541524 -0.0000000), wk = 0.0023810 k( 54) = ( 0.5000000 0.0649829 -0.0000000), wk = 0.0023810 k( 55) = ( 0.5000000 0.0758133 -0.0000000), wk = 0.0023810 k( 56) = ( 0.5000000 0.0866438 -0.0000000), wk = 0.0023810 k( 57) = ( 0.5000000 0.0974743 -0.0000000), wk = 0.0023810 k( 58) = ( 0.5000000 0.1083048 -0.0000000), wk = 0.0023810 k( 59) = ( 0.5000000 0.1191352 -0.0000000), wk = 0.0023810 k( 60) = ( 0.5000000 0.1299657 -0.0000000), wk = 0.0023810 k( 61) = ( 0.5000000 0.1407962 -0.0000000), wk = 0.0023810 k( 62) = ( 0.5000000 0.1516267 -0.0000000), wk = 0.0023810 k( 63) = ( 0.5000000 0.1624571 -0.0000000), wk = 0.0023810 k( 64) = ( 0.5000000 0.1732876 -0.0000000), wk = 0.0023810 k( 65) = ( 0.5000000 0.1841181 -0.0000000), wk = 0.0023810 k( 66) = ( 0.5000000 0.1949486 -0.0000000), wk = 0.0023810 k( 67) = ( 0.5000000 0.2057790 -0.0000000), wk = 0.0023810 k( 68) = ( 0.5000000 0.2166095 -0.0000000), wk = 0.0023810 k( 69) = ( 0.5000000 0.2274400 -0.0000000), wk = 0.0023810 k( 70) = ( 0.5000000 0.2382705 -0.0000000), wk = 0.0023810 k( 71) = ( 0.5000000 0.2491009 -0.0000000), wk = 0.0023810 k( 72) = ( 0.5000000 0.2599314 -0.0000000), wk = 0.0023810 k( 73) = ( 0.5000000 0.2707619 -0.0000000), wk = 0.0023810 k( 74) = ( 0.5000000 0.2815924 -0.0000000), wk = 0.0023810 k( 75) = ( 0.5000000 0.2924228 -0.0000000), wk = 0.0023810 k( 76) = ( 0.5000000 0.3032533 -0.0000000), wk = 0.0023810 k( 77) = ( 0.5000000 0.3140838 -0.0000000), wk = 0.0023810 k( 78) = ( 0.5000000 0.3249143 -0.0000000), wk = 0.0023810 k( 79) = ( 0.5000000 0.3357447 -0.0000000), wk = 0.0023810 k( 80) = ( 0.5000000 0.3357447 -0.0000000), wk = 0.0023810 k( 81) = ( 0.4891304 0.3357447 -0.0000000), wk = 0.0023810 k( 82) = ( 0.4782609 0.3357447 -0.0000000), wk = 0.0023810 k( 83) = ( 0.4673913 0.3357447 -0.0000000), wk = 0.0023810 k( 84) = ( 0.4565217 0.3357447 -0.0000000), wk = 0.0023810 k( 85) = ( 0.4456522 0.3357447 -0.0000000), wk = 0.0023810 k( 86) = ( 0.4347826 0.3357447 -0.0000000), wk = 0.0023810 k( 87) = ( 0.4239130 0.3357447 -0.0000000), wk = 0.0023810 k( 88) = ( 0.4130435 0.3357447 -0.0000000), wk = 0.0023810 k( 89) = ( 0.4021739 0.3357447 -0.0000000), wk = 0.0023810 k( 90) = ( 0.3913044 0.3357447 -0.0000000), wk = 0.0023810 k( 91) = ( 0.3804348 0.3357447 -0.0000000), wk = 0.0023810 k( 92) = ( 0.3695652 0.3357447 -0.0000000), wk = 0.0023810 k( 93) = ( 0.3586956 0.3357447 -0.0000000), wk = 0.0023810 k( 94) = ( 0.3478261 0.3357447 -0.0000000), wk = 0.0023810 k( 95) = ( 0.3369565 0.3357447 -0.0000000), wk = 0.0023810 k( 96) = ( 0.3260870 0.3357447 -0.0000000), wk = 0.0023810 k( 97) = ( 0.3152174 0.3357447 -0.0000000), wk = 0.0023810 k( 98) = ( 0.3043478 0.3357447 -0.0000000), wk = 0.0023810 k( 99) = ( 0.2934783 0.3357447 -0.0000000), wk = 0.0023810 k( 100) = ( 0.2826087 0.3357447 -0.0000000), wk = 0.0023810 k( 101) = ( 0.2717391 0.3357447 -0.0000000), wk = 0.0023810 k( 102) = ( 0.2608696 0.3357447 -0.0000000), wk = 0.0023810 k( 103) = ( 0.2500000 0.3357447 -0.0000000), wk = 0.0023810 k( 104) = ( 0.2391304 0.3357447 -0.0000000), wk = 0.0023810 k( 105) = ( 0.2282609 0.3357447 -0.0000000), wk = 0.0023810 k( 106) = ( 0.2173913 0.3357447 -0.0000000), wk = 0.0023810 k( 107) = ( 0.2065217 0.3357447 -0.0000000), wk = 0.0023810 k( 108) = ( 0.1956522 0.3357447 -0.0000000), wk = 0.0023810 k( 109) = ( 0.1847826 0.3357447 -0.0000000), wk = 0.0023810 k( 110) = ( 0.1739130 0.3357447 -0.0000000), wk = 0.0023810 k( 111) = ( 0.1630435 0.3357447 -0.0000000), wk = 0.0023810 k( 112) = ( 0.1521739 0.3357447 -0.0000000), wk = 0.0023810 k( 113) = ( 0.1413043 0.3357447 -0.0000000), wk = 0.0023810 k( 114) = ( 0.1304348 0.3357447 -0.0000000), wk = 0.0023810 k( 115) = ( 0.1195652 0.3357447 -0.0000000), wk = 0.0023810 k( 116) = ( 0.1086957 0.3357447 -0.0000000), wk = 0.0023810 k( 117) = ( 0.0978261 0.3357447 -0.0000000), wk = 0.0023810 k( 118) = ( 0.0869565 0.3357447 -0.0000000), wk = 0.0023810 k( 119) = ( 0.0760870 0.3357447 -0.0000000), wk = 0.0023810 k( 120) = ( 0.0652174 0.3357447 -0.0000000), wk = 0.0023810 k( 121) = ( 0.0543478 0.3357447 -0.0000000), wk = 0.0023810 k( 122) = ( 0.0434783 0.3357447 -0.0000000), wk = 0.0023810 k( 123) = ( 0.0326087 0.3357447 -0.0000000), wk = 0.0023810 k( 124) = ( 0.0217391 0.3357447 -0.0000000), wk = 0.0023810 k( 125) = ( 0.0108696 0.3357447 -0.0000000), wk = 0.0023810 k( 126) = ( 0.0000000 0.3357447 -0.0000000), wk = 0.0023810 k( 127) = ( 0.0000000 0.3357447 -0.0000000), wk = 0.0023810 k( 128) = ( 0.0000000 0.3249143 -0.0000000), wk = 0.0023810 k( 129) = ( 0.0000000 0.3140838 -0.0000000), wk = 0.0023810 k( 130) = ( 0.0000000 0.3032533 -0.0000000), wk = 0.0023810 k( 131) = ( 0.0000000 0.2924228 -0.0000000), wk = 0.0023810 k( 132) = ( 0.0000000 0.2815924 -0.0000000), wk = 0.0023810 k( 133) = ( 0.0000000 0.2707619 -0.0000000), wk = 0.0023810 k( 134) = ( 0.0000000 0.2599314 -0.0000000), wk = 0.0023810 k( 135) = ( 0.0000000 0.2491009 -0.0000000), wk = 0.0023810 k( 136) = ( 0.0000000 0.2382705 -0.0000000), wk = 0.0023810 k( 137) = ( 0.0000000 0.2274400 -0.0000000), wk = 0.0023810 k( 138) = ( 0.0000000 0.2166095 -0.0000000), wk = 0.0023810 k( 139) = ( 0.0000000 0.2057790 -0.0000000), wk = 0.0023810 k( 140) = ( 0.0000000 0.1949486 -0.0000000), wk = 0.0023810 k( 141) = ( 0.0000000 0.1841181 -0.0000000), wk = 0.0023810 k( 142) = ( 0.0000000 0.1732876 -0.0000000), wk = 0.0023810 k( 143) = ( 0.0000000 0.1624571 -0.0000000), wk = 0.0023810 k( 144) = ( 0.0000000 0.1516267 -0.0000000), wk = 0.0023810 k( 145) = ( 0.0000000 0.1407962 -0.0000000), wk = 0.0023810 k( 146) = ( 0.0000000 0.1299657 -0.0000000), wk = 0.0023810 k( 147) = ( 0.0000000 0.1191352 -0.0000000), wk = 0.0023810 k( 148) = ( 0.0000000 0.1083048 -0.0000000), wk = 0.0023810 k( 149) = ( 0.0000000 0.0974743 -0.0000000), wk = 0.0023810 k( 150) = ( 0.0000000 0.0866438 -0.0000000), wk = 0.0023810 k( 151) = ( 0.0000000 0.0758133 -0.0000000), wk = 0.0023810 k( 152) = ( 0.0000000 0.0649829 -0.0000000), wk = 0.0023810 k( 153) = ( 0.0000000 0.0541524 -0.0000000), wk = 0.0023810 k( 154) = ( 0.0000000 0.0433219 -0.0000000), wk = 0.0023810 k( 155) = ( 0.0000000 0.0324914 -0.0000000), wk = 0.0023810 k( 156) = ( 0.0000000 0.0216609 -0.0000000), wk = 0.0023810 k( 157) = ( 0.0000000 0.0108305 -0.0000000), wk = 0.0023810 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 160) = ( 0.0000000 0.0000000 0.0110180), wk = 0.0023810 k( 161) = ( 0.0000000 0.0000000 0.0220360), wk = 0.0023810 k( 162) = ( 0.0000000 0.0000000 0.0330539), wk = 0.0023810 k( 163) = ( 0.0000000 0.0000000 0.0440719), wk = 0.0023810 k( 164) = ( 0.0000000 0.0000000 0.0550899), wk = 0.0023810 k( 165) = ( 0.0000000 0.0000000 0.0661079), wk = 0.0023810 k( 166) = ( 0.0000000 0.0000000 0.0771259), wk = 0.0023810 k( 167) = ( 0.0000000 0.0000000 0.0881438), wk = 0.0023810 k( 168) = ( 0.0000000 0.0000000 0.0991618), wk = 0.0023810 k( 169) = ( 0.0000000 0.0000000 0.1101798), wk = 0.0023810 k( 170) = ( 0.0000000 0.0000000 0.1211978), wk = 0.0023810 k( 171) = ( 0.0000000 0.0000000 0.1322158), wk = 0.0023810 k( 172) = ( 0.0000000 0.0000000 0.1432337), wk = 0.0023810 k( 173) = ( 0.0000000 0.0000000 0.1542517), wk = 0.0023810 k( 174) = ( 0.0000000 0.0000000 0.1652697), wk = 0.0023810 k( 175) = ( 0.0000000 0.0000000 0.1762877), wk = 0.0023810 k( 176) = ( 0.0000000 0.0000000 0.1873056), wk = 0.0023810 k( 177) = ( 0.0000000 0.0000000 0.1983236), wk = 0.0023810 k( 178) = ( 0.0000000 0.0000000 0.2093416), wk = 0.0023810 k( 179) = ( 0.0000000 0.0000000 0.2203596), wk = 0.0023810 k( 180) = ( 0.0000000 0.0000000 0.2313776), wk = 0.0023810 k( 181) = ( 0.0000000 0.0000000 0.2423955), wk = 0.0023810 k( 182) = ( 0.0000000 0.0000000 0.2534135), wk = 0.0023810 k( 183) = ( 0.0000000 0.0000000 0.2644315), wk = 0.0023810 k( 184) = ( 0.0000000 0.0000000 0.2754495), wk = 0.0023810 k( 185) = ( 0.0000000 0.0000000 0.2754495), wk = 0.0023810 k( 186) = ( 0.0108696 -0.0000000 0.2754495), wk = 0.0023810 k( 187) = ( 0.0217391 -0.0000000 0.2754495), wk = 0.0023810 k( 188) = ( 0.0326087 -0.0000000 0.2754495), wk = 0.0023810 k( 189) = ( 0.0434783 -0.0000000 0.2754495), wk = 0.0023810 k( 190) = ( 0.0543478 -0.0000000 0.2754495), wk = 0.0023810 k( 191) = ( 0.0652174 -0.0000000 0.2754495), wk = 0.0023810 k( 192) = ( 0.0760870 -0.0000000 0.2754495), wk = 0.0023810 k( 193) = ( 0.0869565 -0.0000000 0.2754495), wk = 0.0023810 k( 194) = ( 0.0978261 -0.0000000 0.2754495), wk = 0.0023810 k( 195) = ( 0.1086957 -0.0000000 0.2754495), wk = 0.0023810 k( 196) = ( 0.1195652 -0.0000000 0.2754495), wk = 0.0023810 k( 197) = ( 0.1304348 -0.0000000 0.2754495), wk = 0.0023810 k( 198) = ( 0.1413043 -0.0000000 0.2754495), wk = 0.0023810 k( 199) = ( 0.1521739 -0.0000000 0.2754495), wk = 0.0023810 k( 200) = ( 0.1630435 -0.0000000 0.2754495), wk = 0.0023810 k( 201) = ( 0.1739130 -0.0000000 0.2754495), wk = 0.0023810 k( 202) = ( 0.1847826 -0.0000000 0.2754495), wk = 0.0023810 k( 203) = ( 0.1956522 -0.0000000 0.2754495), wk = 0.0023810 k( 204) = ( 0.2065217 -0.0000000 0.2754495), wk = 0.0023810 k( 205) = ( 0.2173913 -0.0000000 0.2754495), wk = 0.0023810 k( 206) = ( 0.2282609 -0.0000000 0.2754495), wk = 0.0023810 k( 207) = ( 0.2391304 -0.0000000 0.2754495), wk = 0.0023810 k( 208) = ( 0.2500000 -0.0000000 0.2754495), wk = 0.0023810 k( 209) = ( 0.2608696 -0.0000000 0.2754495), wk = 0.0023810 k( 210) = ( 0.2717391 -0.0000000 0.2754495), wk = 0.0023810 k( 211) = ( 0.2826087 -0.0000000 0.2754495), wk = 0.0023810 k( 212) = ( 0.2934783 -0.0000000 0.2754495), wk = 0.0023810 k( 213) = ( 0.3043478 -0.0000000 0.2754495), wk = 0.0023810 k( 214) = ( 0.3152174 -0.0000000 0.2754495), wk = 0.0023810 k( 215) = ( 0.3260870 -0.0000000 0.2754495), wk = 0.0023810 k( 216) = ( 0.3369565 -0.0000000 0.2754495), wk = 0.0023810 k( 217) = ( 0.3478261 -0.0000000 0.2754495), wk = 0.0023810 k( 218) = ( 0.3586956 -0.0000000 0.2754495), wk = 0.0023810 k( 219) = ( 0.3695652 -0.0000000 0.2754495), wk = 0.0023810 k( 220) = ( 0.3804348 -0.0000000 0.2754495), wk = 0.0023810 k( 221) = ( 0.3913044 -0.0000000 0.2754495), wk = 0.0023810 k( 222) = ( 0.4021739 -0.0000000 0.2754495), wk = 0.0023810 k( 223) = ( 0.4130435 -0.0000000 0.2754495), wk = 0.0023810 k( 224) = ( 0.4239130 -0.0000000 0.2754495), wk = 0.0023810 k( 225) = ( 0.4347826 -0.0000000 0.2754495), wk = 0.0023810 k( 226) = ( 0.4456522 -0.0000000 0.2754495), wk = 0.0023810 k( 227) = ( 0.4565217 -0.0000000 0.2754495), wk = 0.0023810 k( 228) = ( 0.4673913 -0.0000000 0.2754495), wk = 0.0023810 k( 229) = ( 0.4782609 -0.0000000 0.2754495), wk = 0.0023810 k( 230) = ( 0.4891304 -0.0000000 0.2754495), wk = 0.0023810 k( 231) = ( 0.5000000 -0.0000000 0.2754495), wk = 0.0023810 k( 232) = ( 0.5000000 -0.0000000 0.2754495), wk = 0.0023810 k( 233) = ( 0.5000000 0.0108305 0.2754495), wk = 0.0023810 k( 234) = ( 0.5000000 0.0216609 0.2754495), wk = 0.0023810 k( 235) = ( 0.5000000 0.0324914 0.2754495), wk = 0.0023810 k( 236) = ( 0.5000000 0.0433219 0.2754495), wk = 0.0023810 k( 237) = ( 0.5000000 0.0541524 0.2754495), wk = 0.0023810 k( 238) = ( 0.5000000 0.0649829 0.2754495), wk = 0.0023810 k( 239) = ( 0.5000000 0.0758133 0.2754495), wk = 0.0023810 k( 240) = ( 0.5000000 0.0866438 0.2754495), wk = 0.0023810 k( 241) = ( 0.5000000 0.0974743 0.2754495), wk = 0.0023810 k( 242) = ( 0.5000000 0.1083048 0.2754495), wk = 0.0023810 k( 243) = ( 0.5000000 0.1191352 0.2754495), wk = 0.0023810 k( 244) = ( 0.5000000 0.1299657 0.2754495), wk = 0.0023810 k( 245) = ( 0.5000000 0.1407962 0.2754495), wk = 0.0023810 k( 246) = ( 0.5000000 0.1516267 0.2754495), wk = 0.0023810 k( 247) = ( 0.5000000 0.1624571 0.2754495), wk = 0.0023810 k( 248) = ( 0.5000000 0.1732876 0.2754495), wk = 0.0023810 k( 249) = ( 0.5000000 0.1841181 0.2754495), wk = 0.0023810 k( 250) = ( 0.5000000 0.1949486 0.2754495), wk = 0.0023810 k( 251) = ( 0.5000000 0.2057790 0.2754495), wk = 0.0023810 k( 252) = ( 0.5000000 0.2166095 0.2754495), wk = 0.0023810 k( 253) = ( 0.5000000 0.2274400 0.2754495), wk = 0.0023810 k( 254) = ( 0.5000000 0.2382705 0.2754495), wk = 0.0023810 k( 255) = ( 0.5000000 0.2491009 0.2754495), wk = 0.0023810 k( 256) = ( 0.5000000 0.2599314 0.2754495), wk = 0.0023810 k( 257) = ( 0.5000000 0.2707619 0.2754495), wk = 0.0023810 k( 258) = ( 0.5000000 0.2815924 0.2754495), wk = 0.0023810 k( 259) = ( 0.5000000 0.2924228 0.2754495), wk = 0.0023810 k( 260) = ( 0.5000000 0.3032533 0.2754495), wk = 0.0023810 k( 261) = ( 0.5000000 0.3140838 0.2754495), wk = 0.0023810 k( 262) = ( 0.5000000 0.3249143 0.2754495), wk = 0.0023810 k( 263) = ( 0.5000000 0.3357447 0.2754495), wk = 0.0023810 k( 264) = ( 0.5000000 0.3357447 0.2754495), wk = 0.0023810 k( 265) = ( 0.4891304 0.3357447 0.2754495), wk = 0.0023810 k( 266) = ( 0.4782609 0.3357447 0.2754495), wk = 0.0023810 k( 267) = ( 0.4673913 0.3357447 0.2754495), wk = 0.0023810 k( 268) = ( 0.4565217 0.3357447 0.2754495), wk = 0.0023810 k( 269) = ( 0.4456522 0.3357447 0.2754495), wk = 0.0023810 k( 270) = ( 0.4347826 0.3357447 0.2754495), wk = 0.0023810 k( 271) = ( 0.4239130 0.3357447 0.2754495), wk = 0.0023810 k( 272) = ( 0.4130435 0.3357447 0.2754495), wk = 0.0023810 k( 273) = ( 0.4021739 0.3357447 0.2754495), wk = 0.0023810 k( 274) = ( 0.3913044 0.3357447 0.2754495), wk = 0.0023810 k( 275) = ( 0.3804348 0.3357447 0.2754495), wk = 0.0023810 k( 276) = ( 0.3695652 0.3357447 0.2754495), wk = 0.0023810 k( 277) = ( 0.3586956 0.3357447 0.2754495), wk = 0.0023810 k( 278) = ( 0.3478261 0.3357447 0.2754495), wk = 0.0023810 k( 279) = ( 0.3369565 0.3357447 0.2754495), wk = 0.0023810 k( 280) = ( 0.3260870 0.3357447 0.2754495), wk = 0.0023810 k( 281) = ( 0.3152174 0.3357447 0.2754495), wk = 0.0023810 k( 282) = ( 0.3043478 0.3357447 0.2754495), wk = 0.0023810 k( 283) = ( 0.2934783 0.3357447 0.2754495), wk = 0.0023810 k( 284) = ( 0.2826087 0.3357447 0.2754495), wk = 0.0023810 k( 285) = ( 0.2717391 0.3357447 0.2754495), wk = 0.0023810 k( 286) = ( 0.2608696 0.3357447 0.2754495), wk = 0.0023810 k( 287) = ( 0.2500000 0.3357447 0.2754495), wk = 0.0023810 k( 288) = ( 0.2391304 0.3357447 0.2754495), wk = 0.0023810 k( 289) = ( 0.2282609 0.3357447 0.2754495), wk = 0.0023810 k( 290) = ( 0.2173913 0.3357447 0.2754495), wk = 0.0023810 k( 291) = ( 0.2065217 0.3357447 0.2754495), wk = 0.0023810 k( 292) = ( 0.1956522 0.3357447 0.2754495), wk = 0.0023810 k( 293) = ( 0.1847826 0.3357447 0.2754495), wk = 0.0023810 k( 294) = ( 0.1739130 0.3357447 0.2754495), wk = 0.0023810 k( 295) = ( 0.1630435 0.3357447 0.2754495), wk = 0.0023810 k( 296) = ( 0.1521739 0.3357447 0.2754495), wk = 0.0023810 k( 297) = ( 0.1413043 0.3357447 0.2754495), wk = 0.0023810 k( 298) = ( 0.1304348 0.3357447 0.2754495), wk = 0.0023810 k( 299) = ( 0.1195652 0.3357447 0.2754495), wk = 0.0023810 k( 300) = ( 0.1086957 0.3357447 0.2754495), wk = 0.0023810 k( 301) = ( 0.0978261 0.3357447 0.2754495), wk = 0.0023810 k( 302) = ( 0.0869565 0.3357447 0.2754495), wk = 0.0023810 k( 303) = ( 0.0760870 0.3357447 0.2754495), wk = 0.0023810 k( 304) = ( 0.0652174 0.3357447 0.2754495), wk = 0.0023810 k( 305) = ( 0.0543478 0.3357447 0.2754495), wk = 0.0023810 k( 306) = ( 0.0434783 0.3357447 0.2754495), wk = 0.0023810 k( 307) = ( 0.0326087 0.3357447 0.2754495), wk = 0.0023810 k( 308) = ( 0.0217391 0.3357447 0.2754495), wk = 0.0023810 k( 309) = ( 0.0108696 0.3357447 0.2754495), wk = 0.0023810 k( 310) = ( 0.0000000 0.3357447 0.2754495), wk = 0.0023810 k( 311) = ( 0.0000000 0.3357447 0.2754495), wk = 0.0023810 k( 312) = ( 0.0000000 0.3249143 0.2754495), wk = 0.0023810 k( 313) = ( 0.0000000 0.3140838 0.2754495), wk = 0.0023810 k( 314) = ( 0.0000000 0.3032533 0.2754495), wk = 0.0023810 k( 315) = ( 0.0000000 0.2924228 0.2754495), wk = 0.0023810 k( 316) = ( 0.0000000 0.2815924 0.2754495), wk = 0.0023810 k( 317) = ( 0.0000000 0.2707619 0.2754495), wk = 0.0023810 k( 318) = ( 0.0000000 0.2599314 0.2754495), wk = 0.0023810 k( 319) = ( 0.0000000 0.2491009 0.2754495), wk = 0.0023810 k( 320) = ( 0.0000000 0.2382705 0.2754495), wk = 0.0023810 k( 321) = ( 0.0000000 0.2274400 0.2754495), wk = 0.0023810 k( 322) = ( 0.0000000 0.2166095 0.2754495), wk = 0.0023810 k( 323) = ( 0.0000000 0.2057790 0.2754495), wk = 0.0023810 k( 324) = ( 0.0000000 0.1949486 0.2754495), wk = 0.0023810 k( 325) = ( 0.0000000 0.1841181 0.2754495), wk = 0.0023810 k( 326) = ( 0.0000000 0.1732876 0.2754495), wk = 0.0023810 k( 327) = ( 0.0000000 0.1624571 0.2754495), wk = 0.0023810 k( 328) = ( 0.0000000 0.1516267 0.2754495), wk = 0.0023810 k( 329) = ( 0.0000000 0.1407962 0.2754495), wk = 0.0023810 k( 330) = ( 0.0000000 0.1299657 0.2754495), wk = 0.0023810 k( 331) = ( 0.0000000 0.1191352 0.2754495), wk = 0.0023810 k( 332) = ( 0.0000000 0.1083048 0.2754495), wk = 0.0023810 k( 333) = ( 0.0000000 0.0974743 0.2754495), wk = 0.0023810 k( 334) = ( 0.0000000 0.0866438 0.2754495), wk = 0.0023810 k( 335) = ( 0.0000000 0.0758133 0.2754495), wk = 0.0023810 k( 336) = ( 0.0000000 0.0649829 0.2754495), wk = 0.0023810 k( 337) = ( 0.0000000 0.0541524 0.2754495), wk = 0.0023810 k( 338) = ( 0.0000000 0.0433219 0.2754495), wk = 0.0023810 k( 339) = ( 0.0000000 0.0324914 0.2754495), wk = 0.0023810 k( 340) = ( 0.0000000 0.0216609 0.2754495), wk = 0.0023810 k( 341) = ( 0.0000000 0.0108305 0.2754495), wk = 0.0023810 k( 342) = ( 0.0000000 0.0000000 0.2754495), wk = 0.0023810 k( 343) = ( 0.0000000 0.3357447 -0.0000000), wk = 0.0023810 k( 344) = ( 0.0000000 0.3357447 0.0110180), wk = 0.0023810 k( 345) = ( 0.0000000 0.3357447 0.0220360), wk = 0.0023810 k( 346) = ( 0.0000000 0.3357447 0.0330539), wk = 0.0023810 k( 347) = ( 0.0000000 0.3357447 0.0440719), wk = 0.0023810 k( 348) = ( 0.0000000 0.3357447 0.0550899), wk = 0.0023810 k( 349) = ( 0.0000000 0.3357447 0.0661079), wk = 0.0023810 k( 350) = ( 0.0000000 0.3357447 0.0771259), wk = 0.0023810 k( 351) = ( 0.0000000 0.3357447 0.0881438), wk = 0.0023810 k( 352) = ( 0.0000000 0.3357447 0.0991618), wk = 0.0023810 k( 353) = ( 0.0000000 0.3357447 0.1101798), wk = 0.0023810 k( 354) = ( 0.0000000 0.3357447 0.1211978), wk = 0.0023810 k( 355) = ( 0.0000000 0.3357447 0.1322158), wk = 0.0023810 k( 356) = ( 0.0000000 0.3357447 0.1432337), wk = 0.0023810 k( 357) = ( 0.0000000 0.3357447 0.1542517), wk = 0.0023810 k( 358) = ( 0.0000000 0.3357447 0.1652697), wk = 0.0023810 k( 359) = ( 0.0000000 0.3357447 0.1762877), wk = 0.0023810 k( 360) = ( 0.0000000 0.3357447 0.1873056), wk = 0.0023810 k( 361) = ( 0.0000000 0.3357447 0.1983236), wk = 0.0023810 k( 362) = ( 0.0000000 0.3357447 0.2093416), wk = 0.0023810 k( 363) = ( 0.0000000 0.3357447 0.2203596), wk = 0.0023810 k( 364) = ( 0.0000000 0.3357447 0.2313776), wk = 0.0023810 k( 365) = ( 0.0000000 0.3357447 0.2423955), wk = 0.0023810 k( 366) = ( 0.0000000 0.3357447 0.2534135), wk = 0.0023810 k( 367) = ( 0.0000000 0.3357447 0.2644315), wk = 0.0023810 k( 368) = ( 0.0000000 0.3357447 0.2754495), wk = 0.0023810 k( 369) = ( 0.5000000 -0.0000000 0.2754495), wk = 0.0023810 k( 370) = ( 0.5000000 -0.0000000 0.2644315), wk = 0.0023810 k( 371) = ( 0.5000000 -0.0000000 0.2534135), wk = 0.0023810 k( 372) = ( 0.5000000 -0.0000000 0.2423955), wk = 0.0023810 k( 373) = ( 0.5000000 -0.0000000 0.2313776), wk = 0.0023810 k( 374) = ( 0.5000000 -0.0000000 0.2203596), wk = 0.0023810 k( 375) = ( 0.5000000 -0.0000000 0.2093416), wk = 0.0023810 k( 376) = ( 0.5000000 -0.0000000 0.1983236), wk = 0.0023810 k( 377) = ( 0.5000000 -0.0000000 0.1873056), wk = 0.0023810 k( 378) = ( 0.5000000 -0.0000000 0.1762877), wk = 0.0023810 k( 379) = ( 0.5000000 -0.0000000 0.1652697), wk = 0.0023810 k( 380) = ( 0.5000000 -0.0000000 0.1542517), wk = 0.0023810 k( 381) = ( 0.5000000 -0.0000000 0.1432337), wk = 0.0023810 k( 382) = ( 0.5000000 -0.0000000 0.1322158), wk = 0.0023810 k( 383) = ( 0.5000000 -0.0000000 0.1211978), wk = 0.0023810 k( 384) = ( 0.5000000 -0.0000000 0.1101798), wk = 0.0023810 k( 385) = ( 0.5000000 -0.0000000 0.0991618), wk = 0.0023810 k( 386) = ( 0.5000000 -0.0000000 0.0881438), wk = 0.0023810 k( 387) = ( 0.5000000 -0.0000000 0.0771259), wk = 0.0023810 k( 388) = ( 0.5000000 -0.0000000 0.0661079), wk = 0.0023810 k( 389) = ( 0.5000000 -0.0000000 0.0550899), wk = 0.0023810 k( 390) = ( 0.5000000 -0.0000000 0.0440719), wk = 0.0023810 k( 391) = ( 0.5000000 -0.0000000 0.0330539), wk = 0.0023810 k( 392) = ( 0.5000000 -0.0000000 0.0220360), wk = 0.0023810 k( 393) = ( 0.5000000 -0.0000000 0.0110180), wk = 0.0023810 k( 394) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023810 k( 395) = ( 0.5000000 0.3357447 -0.0000000), wk = 0.0023810 k( 396) = ( 0.5000000 0.3357447 0.0110180), wk = 0.0023810 k( 397) = ( 0.5000000 0.3357447 0.0220360), wk = 0.0023810 k( 398) = ( 0.5000000 0.3357447 0.0330539), wk = 0.0023810 k( 399) = ( 0.5000000 0.3357447 0.0440719), wk = 0.0023810 k( 400) = ( 0.5000000 0.3357447 0.0550899), wk = 0.0023810 k( 401) = ( 0.5000000 0.3357447 0.0661079), wk = 0.0023810 k( 402) = ( 0.5000000 0.3357447 0.0771259), wk = 0.0023810 k( 403) = ( 0.5000000 0.3357447 0.0881438), wk = 0.0023810 k( 404) = ( 0.5000000 0.3357447 0.0991618), wk = 0.0023810 k( 405) = ( 0.5000000 0.3357447 0.1101798), wk = 0.0023810 k( 406) = ( 0.5000000 0.3357447 0.1211978), wk = 0.0023810 k( 407) = ( 0.5000000 0.3357447 0.1322158), wk = 0.0023810 k( 408) = ( 0.5000000 0.3357447 0.1432337), wk = 0.0023810 k( 409) = ( 0.5000000 0.3357447 0.1542517), wk = 0.0023810 k( 410) = ( 0.5000000 0.3357447 0.1652697), wk = 0.0023810 k( 411) = ( 0.5000000 0.3357447 0.1762877), wk = 0.0023810 k( 412) = ( 0.5000000 0.3357447 0.1873056), wk = 0.0023810 k( 413) = ( 0.5000000 0.3357447 0.1983236), wk = 0.0023810 k( 414) = ( 0.5000000 0.3357447 0.2093416), wk = 0.0023810 k( 415) = ( 0.5000000 0.3357447 0.2203596), wk = 0.0023810 k( 416) = ( 0.5000000 0.3357447 0.2313776), wk = 0.0023810 k( 417) = ( 0.5000000 0.3357447 0.2423955), wk = 0.0023810 k( 418) = ( 0.5000000 0.3357447 0.2534135), wk = 0.0023810 k( 419) = ( 0.5000000 0.3357447 0.2644315), wk = 0.0023810 k( 420) = ( 0.5000000 0.3357447 0.2754495), wk = 0.0023810 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 2) = ( 0.0108696 0.0000000 0.0000000), wk = 0.0023810 k( 3) = ( 0.0217391 0.0000000 0.0000000), wk = 0.0023810 k( 4) = ( 0.0326087 0.0000000 0.0000000), wk = 0.0023810 k( 5) = ( 0.0434783 0.0000000 0.0000000), wk = 0.0023810 k( 6) = ( 0.0543478 0.0000000 0.0000000), wk = 0.0023810 k( 7) = ( 0.0652174 0.0000000 0.0000000), wk = 0.0023810 k( 8) = ( 0.0760870 0.0000000 0.0000000), wk = 0.0023810 k( 9) = ( 0.0869565 0.0000000 0.0000000), wk = 0.0023810 k( 10) = ( 0.0978261 0.0000000 0.0000000), wk = 0.0023810 k( 11) = ( 0.1086957 0.0000000 -0.0000000), wk = 0.0023810 k( 12) = ( 0.1195652 0.0000000 0.0000000), wk = 0.0023810 k( 13) = ( 0.1304348 0.0000000 0.0000000), wk = 0.0023810 k( 14) = ( 0.1413043 0.0000000 0.0000000), wk = 0.0023810 k( 15) = ( 0.1521739 0.0000000 0.0000000), wk = 0.0023810 k( 16) = ( 0.1630435 0.0000000 0.0000000), wk = 0.0023810 k( 17) = ( 0.1739130 0.0000000 0.0000000), wk = 0.0023810 k( 18) = ( 0.1847826 0.0000000 0.0000000), wk = 0.0023810 k( 19) = ( 0.1956522 0.0000000 0.0000000), wk = 0.0023810 k( 20) = ( 0.2065217 0.0000000 0.0000000), wk = 0.0023810 k( 21) = ( 0.2173913 0.0000000 -0.0000000), wk = 0.0023810 k( 22) = ( 0.2282609 0.0000000 0.0000000), wk = 0.0023810 k( 23) = ( 0.2391304 0.0000000 0.0000000), wk = 0.0023810 k( 24) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0023810 k( 25) = ( 0.2608696 0.0000000 0.0000000), wk = 0.0023810 k( 26) = ( 0.2717391 0.0000000 0.0000000), wk = 0.0023810 k( 27) = ( 0.2826087 0.0000000 0.0000000), wk = 0.0023810 k( 28) = ( 0.2934783 0.0000000 0.0000000), wk = 0.0023810 k( 29) = ( 0.3043478 0.0000000 0.0000000), wk = 0.0023810 k( 30) = ( 0.3152174 0.0000000 0.0000000), wk = 0.0023810 k( 31) = ( 0.3260870 0.0000000 0.0000000), wk = 0.0023810 k( 32) = ( 0.3369565 0.0000000 0.0000000), wk = 0.0023810 k( 33) = ( 0.3478261 0.0000000 0.0000000), wk = 0.0023810 k( 34) = ( 0.3586956 0.0000000 0.0000000), wk = 0.0023810 k( 35) = ( 0.3695652 0.0000000 0.0000000), wk = 0.0023810 k( 36) = ( 0.3804348 0.0000000 0.0000000), wk = 0.0023810 k( 37) = ( 0.3913044 0.0000000 0.0000000), wk = 0.0023810 k( 38) = ( 0.4021739 0.0000000 0.0000000), wk = 0.0023810 k( 39) = ( 0.4130435 0.0000000 0.0000000), wk = 0.0023810 k( 40) = ( 0.4239130 0.0000000 0.0000000), wk = 0.0023810 k( 41) = ( 0.4347826 0.0000000 0.0000000), wk = 0.0023810 k( 42) = ( 0.4456522 0.0000000 0.0000000), wk = 0.0023810 k( 43) = ( 0.4565217 0.0000000 0.0000000), wk = 0.0023810 k( 44) = ( 0.4673913 0.0000000 0.0000000), wk = 0.0023810 k( 45) = ( 0.4782609 0.0000000 0.0000000), wk = 0.0023810 k( 46) = ( 0.4891304 0.0000000 0.0000000), wk = 0.0023810 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023810 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023810 k( 49) = ( 0.5000000 0.0161290 0.0000000), wk = 0.0023810 k( 50) = ( 0.5000000 0.0322581 0.0000000), wk = 0.0023810 k( 51) = ( 0.5000000 0.0483871 0.0000000), wk = 0.0023810 k( 52) = ( 0.5000000 0.0645161 0.0000000), wk = 0.0023810 k( 53) = ( 0.5000000 0.0806452 0.0000000), wk = 0.0023810 k( 54) = ( 0.5000000 0.0967742 0.0000000), wk = 0.0023810 k( 55) = ( 0.5000000 0.1129032 0.0000000), wk = 0.0023810 k( 56) = ( 0.5000000 0.1290323 0.0000000), wk = 0.0023810 k( 57) = ( 0.5000000 0.1451613 0.0000000), wk = 0.0023810 k( 58) = ( 0.5000000 0.1612903 0.0000000), wk = 0.0023810 k( 59) = ( 0.5000000 0.1774193 0.0000000), wk = 0.0023810 k( 60) = ( 0.5000000 0.1935484 0.0000000), wk = 0.0023810 k( 61) = ( 0.5000000 0.2096774 0.0000000), wk = 0.0023810 k( 62) = ( 0.5000000 0.2258064 0.0000000), wk = 0.0023810 k( 63) = ( 0.5000000 0.2419355 0.0000000), wk = 0.0023810 k( 64) = ( 0.5000000 0.2580645 -0.0000000), wk = 0.0023810 k( 65) = ( 0.5000000 0.2741935 0.0000000), wk = 0.0023810 k( 66) = ( 0.5000000 0.2903226 0.0000000), wk = 0.0023810 k( 67) = ( 0.5000000 0.3064516 0.0000000), wk = 0.0023810 k( 68) = ( 0.5000000 0.3225806 0.0000000), wk = 0.0023810 k( 69) = ( 0.5000000 0.3387097 0.0000000), wk = 0.0023810 k( 70) = ( 0.5000000 0.3548387 0.0000000), wk = 0.0023810 k( 71) = ( 0.5000000 0.3709677 0.0000000), wk = 0.0023810 k( 72) = ( 0.5000000 0.3870968 0.0000000), wk = 0.0023810 k( 73) = ( 0.5000000 0.4032258 0.0000000), wk = 0.0023810 k( 74) = ( 0.5000000 0.4193548 0.0000000), wk = 0.0023810 k( 75) = ( 0.5000000 0.4354839 0.0000000), wk = 0.0023810 k( 76) = ( 0.5000000 0.4516129 0.0000000), wk = 0.0023810 k( 77) = ( 0.5000000 0.4677419 0.0000000), wk = 0.0023810 k( 78) = ( 0.5000000 0.4838710 0.0000000), wk = 0.0023810 k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023810 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023810 k( 81) = ( 0.4891304 0.5000000 0.0000000), wk = 0.0023810 k( 82) = ( 0.4782609 0.5000000 0.0000000), wk = 0.0023810 k( 83) = ( 0.4673913 0.5000000 0.0000000), wk = 0.0023810 k( 84) = ( 0.4565217 0.5000000 0.0000000), wk = 0.0023810 k( 85) = ( 0.4456522 0.5000000 0.0000000), wk = 0.0023810 k( 86) = ( 0.4347826 0.5000000 0.0000000), wk = 0.0023810 k( 87) = ( 0.4239130 0.5000000 0.0000000), wk = 0.0023810 k( 88) = ( 0.4130435 0.5000000 0.0000000), wk = 0.0023810 k( 89) = ( 0.4021739 0.5000000 0.0000000), wk = 0.0023810 k( 90) = ( 0.3913044 0.5000000 0.0000000), wk = 0.0023810 k( 91) = ( 0.3804348 0.5000000 0.0000000), wk = 0.0023810 k( 92) = ( 0.3695652 0.5000000 0.0000000), wk = 0.0023810 k( 93) = ( 0.3586956 0.5000000 0.0000000), wk = 0.0023810 k( 94) = ( 0.3478261 0.5000000 -0.0000000), wk = 0.0023810 k( 95) = ( 0.3369565 0.5000000 0.0000000), wk = 0.0023810 k( 96) = ( 0.3260870 0.5000000 0.0000000), wk = 0.0023810 k( 97) = ( 0.3152174 0.5000000 -0.0000000), wk = 0.0023810 k( 98) = ( 0.3043478 0.5000000 0.0000000), wk = 0.0023810 k( 99) = ( 0.2934783 0.5000000 0.0000000), wk = 0.0023810 k( 100) = ( 0.2826087 0.5000000 0.0000000), wk = 0.0023810 k( 101) = ( 0.2717391 0.5000000 0.0000000), wk = 0.0023810 k( 102) = ( 0.2608696 0.5000000 0.0000000), wk = 0.0023810 k( 103) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0023810 k( 104) = ( 0.2391304 0.5000000 -0.0000000), wk = 0.0023810 k( 105) = ( 0.2282609 0.5000000 0.0000000), wk = 0.0023810 k( 106) = ( 0.2173913 0.5000000 0.0000000), wk = 0.0023810 k( 107) = ( 0.2065217 0.5000000 0.0000000), wk = 0.0023810 k( 108) = ( 0.1956522 0.5000000 0.0000000), wk = 0.0023810 k( 109) = ( 0.1847826 0.5000000 0.0000000), wk = 0.0023810 k( 110) = ( 0.1739130 0.5000000 0.0000000), wk = 0.0023810 k( 111) = ( 0.1630435 0.5000000 0.0000000), wk = 0.0023810 k( 112) = ( 0.1521739 0.5000000 0.0000000), wk = 0.0023810 k( 113) = ( 0.1413043 0.5000000 0.0000000), wk = 0.0023810 k( 114) = ( 0.1304348 0.5000000 0.0000000), wk = 0.0023810 k( 115) = ( 0.1195652 0.5000000 0.0000000), wk = 0.0023810 k( 116) = ( 0.1086957 0.5000000 0.0000000), wk = 0.0023810 k( 117) = ( 0.0978261 0.5000000 0.0000000), wk = 0.0023810 k( 118) = ( 0.0869565 0.5000000 0.0000000), wk = 0.0023810 k( 119) = ( 0.0760870 0.5000000 0.0000000), wk = 0.0023810 k( 120) = ( 0.0652174 0.5000000 0.0000000), wk = 0.0023810 k( 121) = ( 0.0543478 0.5000000 0.0000000), wk = 0.0023810 k( 122) = ( 0.0434783 0.5000000 0.0000000), wk = 0.0023810 k( 123) = ( 0.0326087 0.5000000 0.0000000), wk = 0.0023810 k( 124) = ( 0.0217391 0.5000000 0.0000000), wk = 0.0023810 k( 125) = ( 0.0108696 0.5000000 0.0000000), wk = 0.0023810 k( 126) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023810 k( 127) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023810 k( 128) = ( 0.0000000 0.4838710 0.0000000), wk = 0.0023810 k( 129) = ( 0.0000000 0.4677419 0.0000000), wk = 0.0023810 k( 130) = ( 0.0000000 0.4516129 0.0000000), wk = 0.0023810 k( 131) = ( 0.0000000 0.4354839 0.0000000), wk = 0.0023810 k( 132) = ( 0.0000000 0.4193548 0.0000000), wk = 0.0023810 k( 133) = ( 0.0000000 0.4032258 0.0000000), wk = 0.0023810 k( 134) = ( 0.0000000 0.3870968 -0.0000000), wk = 0.0023810 k( 135) = ( 0.0000000 0.3709677 0.0000000), wk = 0.0023810 k( 136) = ( 0.0000000 0.3548387 0.0000000), wk = 0.0023810 k( 137) = ( 0.0000000 0.3387097 0.0000000), wk = 0.0023810 k( 138) = ( 0.0000000 0.3225806 0.0000000), wk = 0.0023810 k( 139) = ( 0.0000000 0.3064516 -0.0000000), wk = 0.0023810 k( 140) = ( 0.0000000 0.2903226 -0.0000000), wk = 0.0023810 k( 141) = ( 0.0000000 0.2741935 0.0000000), wk = 0.0023810 k( 142) = ( 0.0000000 0.2580645 0.0000000), wk = 0.0023810 k( 143) = ( 0.0000000 0.2419355 0.0000000), wk = 0.0023810 k( 144) = ( 0.0000000 0.2258064 0.0000000), wk = 0.0023810 k( 145) = ( 0.0000000 0.2096774 0.0000000), wk = 0.0023810 k( 146) = ( 0.0000000 0.1935484 -0.0000000), wk = 0.0023810 k( 147) = ( 0.0000000 0.1774193 -0.0000000), wk = 0.0023810 k( 148) = ( 0.0000000 0.1612903 0.0000000), wk = 0.0023810 k( 149) = ( 0.0000000 0.1451613 -0.0000000), wk = 0.0023810 k( 150) = ( 0.0000000 0.1290323 0.0000000), wk = 0.0023810 k( 151) = ( 0.0000000 0.1129032 0.0000000), wk = 0.0023810 k( 152) = ( 0.0000000 0.0967742 0.0000000), wk = 0.0023810 k( 153) = ( 0.0000000 0.0806452 0.0000000), wk = 0.0023810 k( 154) = ( 0.0000000 0.0645161 0.0000000), wk = 0.0023810 k( 155) = ( 0.0000000 0.0483871 -0.0000000), wk = 0.0023810 k( 156) = ( 0.0000000 0.0322581 0.0000000), wk = 0.0023810 k( 157) = ( 0.0000000 0.0161290 0.0000000), wk = 0.0023810 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023810 k( 160) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0023810 k( 161) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0023810 k( 162) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0023810 k( 163) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0023810 k( 164) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0023810 k( 165) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0023810 k( 166) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0023810 k( 167) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0023810 k( 168) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0023810 k( 169) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0023810 k( 170) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0023810 k( 171) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0023810 k( 172) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0023810 k( 173) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0023810 k( 174) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0023810 k( 175) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0023810 k( 176) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0023810 k( 177) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0023810 k( 178) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0023810 k( 179) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0023810 k( 180) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0023810 k( 181) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0023810 k( 182) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0023810 k( 183) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0023810 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810 k( 185) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810 k( 186) = ( 0.0108696 0.0000000 0.5000000), wk = 0.0023810 k( 187) = ( 0.0217391 0.0000000 0.5000000), wk = 0.0023810 k( 188) = ( 0.0326087 0.0000000 0.5000000), wk = 0.0023810 k( 189) = ( 0.0434783 0.0000000 0.5000000), wk = 0.0023810 k( 190) = ( 0.0543478 0.0000000 0.5000000), wk = 0.0023810 k( 191) = ( 0.0652174 0.0000000 0.5000000), wk = 0.0023810 k( 192) = ( 0.0760870 0.0000000 0.5000000), wk = 0.0023810 k( 193) = ( 0.0869565 0.0000000 0.5000000), wk = 0.0023810 k( 194) = ( 0.0978261 0.0000000 0.5000000), wk = 0.0023810 k( 195) = ( 0.1086957 0.0000000 0.5000000), wk = 0.0023810 k( 196) = ( 0.1195652 0.0000000 0.5000000), wk = 0.0023810 k( 197) = ( 0.1304348 0.0000000 0.5000000), wk = 0.0023810 k( 198) = ( 0.1413043 0.0000000 0.5000000), wk = 0.0023810 k( 199) = ( 0.1521739 0.0000000 0.5000000), wk = 0.0023810 k( 200) = ( 0.1630435 0.0000000 0.5000000), wk = 0.0023810 k( 201) = ( 0.1739130 0.0000000 0.5000000), wk = 0.0023810 k( 202) = ( 0.1847826 0.0000000 0.5000000), wk = 0.0023810 k( 203) = ( 0.1956522 0.0000000 0.5000000), wk = 0.0023810 k( 204) = ( 0.2065217 0.0000000 0.5000000), wk = 0.0023810 k( 205) = ( 0.2173913 0.0000000 0.5000000), wk = 0.0023810 k( 206) = ( 0.2282609 0.0000000 0.5000000), wk = 0.0023810 k( 207) = ( 0.2391304 0.0000000 0.5000000), wk = 0.0023810 k( 208) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0023810 k( 209) = ( 0.2608696 0.0000000 0.5000000), wk = 0.0023810 k( 210) = ( 0.2717391 0.0000000 0.5000000), wk = 0.0023810 k( 211) = ( 0.2826087 0.0000000 0.5000000), wk = 0.0023810 k( 212) = ( 0.2934783 0.0000000 0.5000000), wk = 0.0023810 k( 213) = ( 0.3043478 0.0000000 0.5000000), wk = 0.0023810 k( 214) = ( 0.3152174 0.0000000 0.5000000), wk = 0.0023810 k( 215) = ( 0.3260870 0.0000000 0.5000000), wk = 0.0023810 k( 216) = ( 0.3369565 0.0000000 0.5000000), wk = 0.0023810 k( 217) = ( 0.3478261 0.0000000 0.5000000), wk = 0.0023810 k( 218) = ( 0.3586956 0.0000000 0.5000000), wk = 0.0023810 k( 219) = ( 0.3695652 0.0000000 0.5000000), wk = 0.0023810 k( 220) = ( 0.3804348 0.0000000 0.5000000), wk = 0.0023810 k( 221) = ( 0.3913044 0.0000000 0.5000000), wk = 0.0023810 k( 222) = ( 0.4021739 0.0000000 0.5000000), wk = 0.0023810 k( 223) = ( 0.4130435 0.0000000 0.5000000), wk = 0.0023810 k( 224) = ( 0.4239130 0.0000000 0.5000000), wk = 0.0023810 k( 225) = ( 0.4347826 0.0000000 0.5000000), wk = 0.0023810 k( 226) = ( 0.4456522 0.0000000 0.5000000), wk = 0.0023810 k( 227) = ( 0.4565217 0.0000000 0.5000000), wk = 0.0023810 k( 228) = ( 0.4673913 0.0000000 0.5000000), wk = 0.0023810 k( 229) = ( 0.4782609 0.0000000 0.5000000), wk = 0.0023810 k( 230) = ( 0.4891304 0.0000000 0.5000000), wk = 0.0023810 k( 231) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023810 k( 232) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023810 k( 233) = ( 0.5000000 0.0161290 0.5000000), wk = 0.0023810 k( 234) = ( 0.5000000 0.0322581 0.5000000), wk = 0.0023810 k( 235) = ( 0.5000000 0.0483871 0.5000000), wk = 0.0023810 k( 236) = ( 0.5000000 0.0645161 0.5000000), wk = 0.0023810 k( 237) = ( 0.5000000 0.0806452 0.5000000), wk = 0.0023810 k( 238) = ( 0.5000000 0.0967742 0.5000000), wk = 0.0023810 k( 239) = ( 0.5000000 0.1129032 0.5000000), wk = 0.0023810 k( 240) = ( 0.5000000 0.1290323 0.5000000), wk = 0.0023810 k( 241) = ( 0.5000000 0.1451613 0.5000000), wk = 0.0023810 k( 242) = ( 0.5000000 0.1612903 0.5000000), wk = 0.0023810 k( 243) = ( 0.5000000 0.1774193 0.5000000), wk = 0.0023810 k( 244) = ( 0.5000000 0.1935484 0.5000000), wk = 0.0023810 k( 245) = ( 0.5000000 0.2096774 0.5000000), wk = 0.0023810 k( 246) = ( 0.5000000 0.2258064 0.5000000), wk = 0.0023810 k( 247) = ( 0.5000000 0.2419355 0.5000000), wk = 0.0023810 k( 248) = ( 0.5000000 0.2580645 0.5000000), wk = 0.0023810 k( 249) = ( 0.5000000 0.2741935 0.5000000), wk = 0.0023810 k( 250) = ( 0.5000000 0.2903226 0.5000000), wk = 0.0023810 k( 251) = ( 0.5000000 0.3064516 0.5000000), wk = 0.0023810 k( 252) = ( 0.5000000 0.3225806 0.5000000), wk = 0.0023810 k( 253) = ( 0.5000000 0.3387097 0.5000000), wk = 0.0023810 k( 254) = ( 0.5000000 0.3548387 0.5000000), wk = 0.0023810 k( 255) = ( 0.5000000 0.3709677 0.5000000), wk = 0.0023810 k( 256) = ( 0.5000000 0.3870968 0.5000000), wk = 0.0023810 k( 257) = ( 0.5000000 0.4032258 0.5000000), wk = 0.0023810 k( 258) = ( 0.5000000 0.4193548 0.5000000), wk = 0.0023810 k( 259) = ( 0.5000000 0.4354839 0.5000000), wk = 0.0023810 k( 260) = ( 0.5000000 0.4516129 0.5000000), wk = 0.0023810 k( 261) = ( 0.5000000 0.4677419 0.5000000), wk = 0.0023810 k( 262) = ( 0.5000000 0.4838710 0.5000000), wk = 0.0023810 k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023810 k( 264) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023810 k( 265) = ( 0.4891304 0.5000000 0.5000000), wk = 0.0023810 k( 266) = ( 0.4782609 0.5000000 0.5000000), wk = 0.0023810 k( 267) = ( 0.4673913 0.5000000 0.5000000), wk = 0.0023810 k( 268) = ( 0.4565217 0.5000000 0.5000000), wk = 0.0023810 k( 269) = ( 0.4456522 0.5000000 0.5000000), wk = 0.0023810 k( 270) = ( 0.4347826 0.5000000 0.5000000), wk = 0.0023810 k( 271) = ( 0.4239130 0.5000000 0.5000000), wk = 0.0023810 k( 272) = ( 0.4130435 0.5000000 0.5000000), wk = 0.0023810 k( 273) = ( 0.4021739 0.5000000 0.5000000), wk = 0.0023810 k( 274) = ( 0.3913044 0.5000000 0.5000000), wk = 0.0023810 k( 275) = ( 0.3804348 0.5000000 0.5000000), wk = 0.0023810 k( 276) = ( 0.3695652 0.5000000 0.5000000), wk = 0.0023810 k( 277) = ( 0.3586956 0.5000000 0.5000000), wk = 0.0023810 k( 278) = ( 0.3478261 0.5000000 0.5000000), wk = 0.0023810 k( 279) = ( 0.3369565 0.5000000 0.5000000), wk = 0.0023810 k( 280) = ( 0.3260870 0.5000000 0.5000000), wk = 0.0023810 k( 281) = ( 0.3152174 0.5000000 0.5000000), wk = 0.0023810 k( 282) = ( 0.3043478 0.5000000 0.5000000), wk = 0.0023810 k( 283) = ( 0.2934783 0.5000000 0.5000000), wk = 0.0023810 k( 284) = ( 0.2826087 0.5000000 0.5000000), wk = 0.0023810 k( 285) = ( 0.2717391 0.5000000 0.5000000), wk = 0.0023810 k( 286) = ( 0.2608696 0.5000000 0.5000000), wk = 0.0023810 k( 287) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0023810 k( 288) = ( 0.2391304 0.5000000 0.5000000), wk = 0.0023810 k( 289) = ( 0.2282609 0.5000000 0.5000000), wk = 0.0023810 k( 290) = ( 0.2173913 0.5000000 0.5000000), wk = 0.0023810 k( 291) = ( 0.2065217 0.5000000 0.5000000), wk = 0.0023810 k( 292) = ( 0.1956522 0.5000000 0.5000000), wk = 0.0023810 k( 293) = ( 0.1847826 0.5000000 0.5000000), wk = 0.0023810 k( 294) = ( 0.1739130 0.5000000 0.5000000), wk = 0.0023810 k( 295) = ( 0.1630435 0.5000000 0.5000000), wk = 0.0023810 k( 296) = ( 0.1521739 0.5000000 0.5000000), wk = 0.0023810 k( 297) = ( 0.1413043 0.5000000 0.5000000), wk = 0.0023810 k( 298) = ( 0.1304348 0.5000000 0.5000000), wk = 0.0023810 k( 299) = ( 0.1195652 0.5000000 0.5000000), wk = 0.0023810 k( 300) = ( 0.1086957 0.5000000 0.5000000), wk = 0.0023810 k( 301) = ( 0.0978261 0.5000000 0.5000000), wk = 0.0023810 k( 302) = ( 0.0869565 0.5000000 0.5000000), wk = 0.0023810 k( 303) = ( 0.0760870 0.5000000 0.5000000), wk = 0.0023810 k( 304) = ( 0.0652174 0.5000000 0.5000000), wk = 0.0023810 k( 305) = ( 0.0543478 0.5000000 0.5000000), wk = 0.0023810 k( 306) = ( 0.0434783 0.5000000 0.5000000), wk = 0.0023810 k( 307) = ( 0.0326087 0.5000000 0.5000000), wk = 0.0023810 k( 308) = ( 0.0217391 0.5000000 0.5000000), wk = 0.0023810 k( 309) = ( 0.0108696 0.5000000 0.5000000), wk = 0.0023810 k( 310) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023810 k( 311) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023810 k( 312) = ( 0.0000000 0.4838710 0.5000000), wk = 0.0023810 k( 313) = ( 0.0000000 0.4677419 0.5000000), wk = 0.0023810 k( 314) = ( 0.0000000 0.4516129 0.5000000), wk = 0.0023810 k( 315) = ( 0.0000000 0.4354839 0.5000000), wk = 0.0023810 k( 316) = ( 0.0000000 0.4193548 0.5000000), wk = 0.0023810 k( 317) = ( 0.0000000 0.4032258 0.5000000), wk = 0.0023810 k( 318) = ( 0.0000000 0.3870968 0.5000000), wk = 0.0023810 k( 319) = ( 0.0000000 0.3709677 0.5000000), wk = 0.0023810 k( 320) = ( 0.0000000 0.3548387 0.5000000), wk = 0.0023810 k( 321) = ( 0.0000000 0.3387097 0.5000000), wk = 0.0023810 k( 322) = ( 0.0000000 0.3225806 0.5000000), wk = 0.0023810 k( 323) = ( 0.0000000 0.3064516 0.5000000), wk = 0.0023810 k( 324) = ( 0.0000000 0.2903226 0.5000000), wk = 0.0023810 k( 325) = ( 0.0000000 0.2741935 0.5000000), wk = 0.0023810 k( 326) = ( 0.0000000 0.2580645 0.5000000), wk = 0.0023810 k( 327) = ( 0.0000000 0.2419355 0.5000000), wk = 0.0023810 k( 328) = ( 0.0000000 0.2258064 0.5000000), wk = 0.0023810 k( 329) = ( 0.0000000 0.2096774 0.5000000), wk = 0.0023810 k( 330) = ( 0.0000000 0.1935484 0.5000000), wk = 0.0023810 k( 331) = ( 0.0000000 0.1774193 0.5000000), wk = 0.0023810 k( 332) = ( 0.0000000 0.1612903 0.5000000), wk = 0.0023810 k( 333) = ( 0.0000000 0.1451613 0.5000000), wk = 0.0023810 k( 334) = ( 0.0000000 0.1290323 0.5000000), wk = 0.0023810 k( 335) = ( 0.0000000 0.1129032 0.5000000), wk = 0.0023810 k( 336) = ( 0.0000000 0.0967742 0.5000000), wk = 0.0023810 k( 337) = ( 0.0000000 0.0806452 0.5000000), wk = 0.0023810 k( 338) = ( 0.0000000 0.0645161 0.5000000), wk = 0.0023810 k( 339) = ( 0.0000000 0.0483871 0.5000000), wk = 0.0023810 k( 340) = ( 0.0000000 0.0322581 0.5000000), wk = 0.0023810 k( 341) = ( 0.0000000 0.0161290 0.5000000), wk = 0.0023810 k( 342) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023810 k( 343) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023810 k( 344) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0023810 k( 345) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0023810 k( 346) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0023810 k( 347) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0023810 k( 348) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0023810 k( 349) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0023810 k( 350) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0023810 k( 351) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0023810 k( 352) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0023810 k( 353) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0023810 k( 354) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0023810 k( 355) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0023810 k( 356) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0023810 k( 357) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0023810 k( 358) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0023810 k( 359) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0023810 k( 360) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0023810 k( 361) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0023810 k( 362) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0023810 k( 363) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0023810 k( 364) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0023810 k( 365) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0023810 k( 366) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0023810 k( 367) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0023810 k( 368) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023810 k( 369) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023810 k( 370) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0023810 k( 371) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0023810 k( 372) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0023810 k( 373) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0023810 k( 374) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0023810 k( 375) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0023810 k( 376) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0023810 k( 377) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0023810 k( 378) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0023810 k( 379) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0023810 k( 380) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0023810 k( 381) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0023810 k( 382) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0023810 k( 383) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0023810 k( 384) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0023810 k( 385) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0023810 k( 386) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0023810 k( 387) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0023810 k( 388) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0023810 k( 389) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0023810 k( 390) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0023810 k( 391) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0023810 k( 392) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0023810 k( 393) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0023810 k( 394) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023810 k( 395) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023810 k( 396) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0023810 k( 397) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0023810 k( 398) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0023810 k( 399) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0023810 k( 400) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0023810 k( 401) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0023810 k( 402) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0023810 k( 403) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0023810 k( 404) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0023810 k( 405) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0023810 k( 406) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0023810 k( 407) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0023810 k( 408) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0023810 k( 409) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0023810 k( 410) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0023810 k( 411) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0023810 k( 412) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0023810 k( 413) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0023810 k( 414) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0023810 k( 415) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0023810 k( 416) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0023810 k( 417) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0023810 k( 418) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0023810 k( 419) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0023810 k( 420) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023810 Dense grid: 48959 G-vectors FFT dimensions: ( 36, 50, 60) Smooth grid: 28315 G-vectors FFT dimensions: ( 27, 45, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 246, 48) NL pseudopotentials 0.38 Mb ( 123, 204) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1531) G-vector shells 0.01 Mb ( 728) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.72 Mb ( 246, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.30 Mb ( 204, 2, 48) The potential is recalculated from file : ./NiSb2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 5.9 secs Computing kpt #: 4 total cpu time spent up to now is 6.9 secs Computing kpt #: 5 total cpu time spent up to now is 8.0 secs Computing kpt #: 6 total cpu time spent up to now is 9.6 secs Computing kpt #: 7 total cpu time spent up to now is 11.4 secs Computing kpt #: 8 total cpu time spent up to now is 13.9 secs Computing kpt #: 9 total cpu time spent up to now is 15.7 secs Computing kpt #: 10 total cpu time spent up to now is 16.7 secs Computing kpt #: 11 total cpu time spent up to now is 17.6 secs Computing kpt #: 12 total cpu time spent up to now is 18.5 secs Computing kpt #: 13 total cpu time spent up to now is 19.5 secs Computing kpt #: 14 total cpu time spent up to now is 20.4 secs Computing kpt #: 15 total cpu time spent up to now is 21.3 secs Computing kpt #: 16 total cpu time spent up to now is 22.2 secs Computing kpt #: 17 total cpu time spent up to now is 23.1 secs Computing kpt #: 18 total cpu time spent up to now is 24.1 secs Computing kpt #: 19 total cpu time spent up to now is 25.0 secs Computing kpt #: 20 total cpu time spent up to now is 25.9 secs Computing kpt #: 21 total cpu time spent up to now is 26.8 secs Computing kpt #: 22 total cpu time spent up to now is 27.7 secs Computing kpt #: 23 total cpu time spent up to now is 28.6 secs Computing kpt #: 24 total cpu time spent up to now is 29.6 secs Computing kpt #: 25 total cpu time spent up to now is 30.5 secs Computing kpt #: 26 total cpu time spent up to now is 31.4 secs Computing kpt #: 27 total cpu time spent up to now is 32.3 secs Computing kpt #: 28 total cpu time spent up to now is 33.3 secs Computing kpt #: 29 total cpu time spent up to now is 34.2 secs Computing kpt #: 30 total cpu time spent up to now is 35.1 secs Computing kpt #: 31 total cpu time spent up to now is 36.0 secs Computing kpt #: 32 total cpu time spent up to now is 36.9 secs Computing kpt #: 33 total cpu time spent up to now is 37.8 secs Computing kpt #: 34 total cpu time spent up to now is 38.7 secs Computing kpt #: 35 total cpu time spent up to now is 39.6 secs Computing kpt #: 36 total cpu time spent up to now is 40.5 secs Computing kpt #: 37 total cpu time spent up to now is 41.4 secs Computing kpt #: 38 total cpu time spent up to now is 42.3 secs Computing kpt #: 39 total cpu time spent up to now is 43.2 secs Computing kpt #: 40 total cpu time spent up to now is 44.1 secs Computing kpt #: 41 total cpu time spent up to now is 45.1 secs Computing kpt #: 42 total cpu time spent up to now is 46.0 secs Computing kpt #: 43 total cpu time spent up to now is 46.9 secs Computing kpt #: 44 total cpu time spent up to now is 47.9 secs Computing kpt #: 45 total cpu time spent up to now is 48.8 secs Computing kpt #: 46 total cpu time spent up to now is 49.7 secs Computing kpt #: 47 total cpu time spent up to now is 50.6 secs Computing kpt #: 48 total cpu time spent up to now is 51.4 secs Computing kpt #: 49 total cpu time spent up to now is 52.3 secs Computing kpt #: 50 total cpu time spent up to now is 53.2 secs Computing kpt #: 51 total cpu time spent up to now is 54.1 secs Computing kpt #: 52 total cpu time spent up to now is 55.0 secs Computing kpt #: 53 total cpu time spent up to now is 55.9 secs Computing kpt #: 54 total cpu time spent up to now is 56.8 secs Computing kpt #: 55 total cpu time spent up to now is 57.6 secs Computing kpt #: 56 total cpu time spent up to now is 58.5 secs Computing kpt #: 57 total cpu time spent up to now is 59.4 secs Computing kpt #: 58 total cpu time spent up to now is 60.2 secs Computing kpt #: 59 total cpu time spent up to now is 61.1 secs Computing kpt #: 60 total cpu time spent up to now is 61.9 secs Computing kpt #: 61 total cpu time spent up to now is 62.8 secs Computing kpt #: 62 total cpu time spent up to now is 63.6 secs Computing kpt #: 63 total cpu time spent up to now is 64.4 secs Computing kpt #: 64 total cpu time spent up to now is 65.3 secs Computing kpt #: 65 total cpu time spent up to now is 66.1 secs Computing kpt #: 66 total cpu time spent up to now is 66.9 secs Computing kpt #: 67 total cpu time spent up to now is 67.7 secs Computing kpt #: 68 total cpu time spent up to now is 68.6 secs Computing kpt #: 69 total cpu time spent up to now is 69.4 secs Computing kpt #: 70 total cpu time spent up to now is 70.2 secs Computing kpt #: 71 total cpu time spent up to now is 71.1 secs Computing kpt #: 72 total cpu time spent up to now is 71.9 secs Computing kpt #: 73 total cpu time spent up to now is 72.8 secs Computing kpt #: 74 total cpu time spent up to now is 73.7 secs Computing kpt #: 75 total cpu time spent up to now is 74.7 secs Computing kpt #: 76 total cpu time spent up to now is 75.6 secs Computing kpt #: 77 total cpu time spent up to now is 76.6 secs Computing kpt #: 78 total cpu time spent up to now is 77.6 secs Computing kpt #: 79 total cpu time spent up to now is 78.7 secs Computing kpt #: 80 total cpu time spent up to now is 79.8 secs Computing kpt #: 81 total cpu time spent up to now is 80.9 secs Computing kpt #: 82 total cpu time spent up to now is 81.9 secs Computing kpt #: 83 total cpu time spent up to now is 82.9 secs Computing kpt #: 84 total cpu time spent up to now is 83.8 secs Computing kpt #: 85 total cpu time spent up to now is 84.8 secs Computing kpt #: 86 total cpu time spent up to now is 85.7 secs Computing kpt #: 87 total cpu time spent up to now is 86.6 secs Computing kpt #: 88 total cpu time spent up to now is 87.5 secs Computing kpt #: 89 total cpu time spent up to now is 88.4 secs Computing kpt #: 90 total cpu time spent up to now is 89.3 secs Computing kpt #: 91 total cpu time spent up to now is 90.2 secs Computing kpt #: 92 total cpu time spent up to now is 91.0 secs Computing kpt #: 93 total cpu time spent up to now is 91.9 secs Computing kpt #: 94 total cpu time spent up to now is 92.8 secs Computing kpt #: 95 total cpu time spent up to now is 93.6 secs Computing kpt #: 96 total cpu time spent up to now is 94.5 secs Computing kpt #: 97 total cpu time spent up to now is 95.3 secs Computing kpt #: 98 total cpu time spent up to now is 96.1 secs Computing kpt #: 99 total cpu time spent up to now is 96.9 secs Computing kpt #: 100 total cpu time spent up to now is 97.8 secs Computing kpt #: 101 total cpu time spent up to now is 98.6 secs Computing kpt #: 102 total cpu time spent up to now is 99.4 secs Computing kpt #: 103 total cpu time spent up to now is 100.2 secs Computing kpt #: 104 total cpu time spent up to now is 101.1 secs Computing kpt #: 105 total cpu time spent up to now is 101.9 secs Computing kpt #: 106 total cpu time spent up to now is 102.8 secs Computing kpt #: 107 total cpu time spent up to now is 103.6 secs Computing kpt #: 108 total cpu time spent up to now is 104.5 secs Computing kpt #: 109 total cpu time spent up to now is 105.3 secs Computing kpt #: 110 total cpu time spent up to now is 106.2 secs Computing kpt #: 111 total cpu time spent up to now is 107.1 secs Computing kpt #: 112 total cpu time spent up to now is 108.0 secs Computing kpt #: 113 total cpu time spent up to now is 108.9 secs Computing kpt #: 114 total cpu time spent up to now is 109.9 secs Computing kpt #: 115 total cpu time spent up to now is 110.8 secs Computing kpt #: 116 total cpu time spent up to now is 111.8 secs Computing kpt #: 117 total cpu time spent up to now is 112.8 secs Computing kpt #: 118 total cpu time spent up to now is 113.9 secs Computing kpt #: 119 total cpu time spent up to now is 115.0 secs Computing kpt #: 120 total cpu time spent up to now is 116.1 secs Computing kpt #: 121 total cpu time spent up to now is 117.2 secs Computing kpt #: 122 total cpu time spent up to now is 118.2 secs Computing kpt #: 123 total cpu time spent up to now is 119.3 secs Computing kpt #: 124 total cpu time spent up to now is 120.4 secs Computing kpt #: 125 total cpu time spent up to now is 121.4 secs Computing kpt #: 126 total cpu time spent up to now is 122.5 secs Computing kpt #: 127 total cpu time spent up to now is 123.5 secs Computing kpt #: 128 total cpu time spent up to now is 124.6 secs Computing kpt #: 129 total cpu time spent up to now is 125.7 secs Computing kpt #: 130 total cpu time spent up to now is 126.8 secs Computing kpt #: 131 total cpu time spent up to now is 128.1 secs Computing kpt #: 132 total cpu time spent up to now is 129.3 secs Computing kpt #: 133 total cpu time spent up to now is 130.5 secs Computing kpt #: 134 total cpu time spent up to now is 132.0 secs Computing kpt #: 135 total cpu time spent up to now is 133.6 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 135.5 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 137.4 secs Computing kpt #: 138 total cpu time spent up to now is 139.2 secs Computing kpt #: 139 total cpu time spent up to now is 140.5 secs Computing kpt #: 140 total cpu time spent up to now is 141.9 secs Computing kpt #: 141 total cpu time spent up to now is 143.4 secs Computing kpt #: 142 total cpu time spent up to now is 145.1 secs Computing kpt #: 143 total cpu time spent up to now is 146.8 secs Computing kpt #: 144 total cpu time spent up to now is 148.4 secs Computing kpt #: 145 total cpu time spent up to now is 149.8 secs Computing kpt #: 146 total cpu time spent up to now is 151.1 secs Computing kpt #: 147 total cpu time spent up to now is 152.3 secs Computing kpt #: 148 total cpu time spent up to now is 153.5 secs Computing kpt #: 149 total cpu time spent up to now is 154.6 secs Computing kpt #: 150 total cpu time spent up to now is 155.7 secs Computing kpt #: 151 total cpu time spent up to now is 156.7 secs Computing kpt #: 152 total cpu time spent up to now is 157.7 secs Computing kpt #: 153 total cpu time spent up to now is 158.7 secs Computing kpt #: 154 total cpu time spent up to now is 159.7 secs Computing kpt #: 155 total cpu time spent up to now is 160.7 secs Computing kpt #: 156 total cpu time spent up to now is 161.6 secs Computing kpt #: 157 total cpu time spent up to now is 162.6 secs Computing kpt #: 158 total cpu time spent up to now is 163.5 secs Computing kpt #: 159 total cpu time spent up to now is 164.4 secs Computing kpt #: 160 total cpu time spent up to now is 165.3 secs Computing kpt #: 161 total cpu time spent up to now is 166.3 secs Computing kpt #: 162 total cpu time spent up to now is 167.2 secs Computing kpt #: 163 total cpu time spent up to now is 168.2 secs Computing kpt #: 164 total cpu time spent up to now is 169.1 secs Computing kpt #: 165 total cpu time spent up to now is 170.1 secs Computing kpt #: 166 total cpu time spent up to now is 171.1 secs Computing kpt #: 167 total cpu time spent up to now is 172.2 secs Computing kpt #: 168 total cpu time spent up to now is 173.6 secs Computing kpt #: 169 total cpu time spent up to now is 175.0 secs Computing kpt #: 170 total cpu time spent up to now is 176.4 secs Computing kpt #: 171 total cpu time spent up to now is 177.7 secs Computing kpt #: 172 total cpu time spent up to now is 179.1 secs Computing kpt #: 173 total cpu time spent up to now is 180.4 secs Computing kpt #: 174 total cpu time spent up to now is 181.7 secs Computing kpt #: 175 total cpu time spent up to now is 182.8 secs Computing kpt #: 176 total cpu time spent up to now is 183.9 secs Computing kpt #: 177 total cpu time spent up to now is 185.0 secs Computing kpt #: 178 total cpu time spent up to now is 186.0 secs Computing kpt #: 179 total cpu time spent up to now is 186.9 secs Computing kpt #: 180 total cpu time spent up to now is 187.9 secs Computing kpt #: 181 total cpu time spent up to now is 188.8 secs Computing kpt #: 182 total cpu time spent up to now is 189.7 secs Computing kpt #: 183 total cpu time spent up to now is 190.6 secs Computing kpt #: 184 total cpu time spent up to now is 191.5 secs Computing kpt #: 185 total cpu time spent up to now is 192.3 secs Computing kpt #: 186 total cpu time spent up to now is 193.2 secs Computing kpt #: 187 total cpu time spent up to now is 194.1 secs Computing kpt #: 188 total cpu time spent up to now is 195.0 secs Computing kpt #: 189 total cpu time spent up to now is 195.9 secs Computing kpt #: 190 total cpu time spent up to now is 196.8 secs Computing kpt #: 191 total cpu time spent up to now is 197.7 secs Computing kpt #: 192 total cpu time spent up to now is 198.6 secs Computing kpt #: 193 total cpu time spent up to now is 199.6 secs Computing kpt #: 194 total cpu time spent up to now is 200.5 secs Computing kpt #: 195 total cpu time spent up to now is 201.5 secs Computing kpt #: 196 total cpu time spent up to now is 202.5 secs Computing kpt #: 197 total cpu time spent up to now is 203.6 secs Computing kpt #: 198 total cpu time spent up to now is 204.6 secs Computing kpt #: 199 total cpu time spent up to now is 205.7 secs Computing kpt #: 200 total cpu time spent up to now is 206.8 secs Computing kpt #: 201 total cpu time spent up to now is 207.8 secs Computing kpt #: 202 total cpu time spent up to now is 208.9 secs Computing kpt #: 203 total cpu time spent up to now is 209.9 secs Computing kpt #: 204 total cpu time spent up to now is 210.9 secs Computing kpt #: 205 total cpu time spent up to now is 212.0 secs Computing kpt #: 206 total cpu time spent up to now is 213.0 secs Computing kpt #: 207 total cpu time spent up to now is 214.0 secs Computing kpt #: 208 total cpu time spent up to now is 215.1 secs Computing kpt #: 209 total cpu time spent up to now is 216.1 secs Computing kpt #: 210 total cpu time spent up to now is 217.1 secs Computing kpt #: 211 total cpu time spent up to now is 218.1 secs Computing kpt #: 212 total cpu time spent up to now is 219.1 secs Computing kpt #: 213 total cpu time spent up to now is 220.0 secs Computing kpt #: 214 total cpu time spent up to now is 221.0 secs Computing kpt #: 215 total cpu time spent up to now is 221.9 secs Computing kpt #: 216 total cpu time spent up to now is 222.8 secs Computing kpt #: 217 total cpu time spent up to now is 223.7 secs Computing kpt #: 218 total cpu time spent up to now is 224.5 secs Computing kpt #: 219 total cpu time spent up to now is 225.4 secs Computing kpt #: 220 total cpu time spent up to now is 226.3 secs Computing kpt #: 221 total cpu time spent up to now is 227.2 secs Computing kpt #: 222 total cpu time spent up to now is 228.0 secs Computing kpt #: 223 total cpu time spent up to now is 228.9 secs Computing kpt #: 224 total cpu time spent up to now is 229.8 secs Computing kpt #: 225 total cpu time spent up to now is 230.6 secs Computing kpt #: 226 total cpu time spent up to now is 231.5 secs Computing kpt #: 227 total cpu time spent up to now is 232.3 secs Computing kpt #: 228 total cpu time spent up to now is 233.2 secs Computing kpt #: 229 total cpu time spent up to now is 234.0 secs Computing kpt #: 230 total cpu time spent up to now is 234.9 secs Computing kpt #: 231 total cpu time spent up to now is 235.7 secs Computing kpt #: 232 total cpu time spent up to now is 236.5 secs Computing kpt #: 233 total cpu time spent up to now is 237.4 secs Computing kpt #: 234 total cpu time spent up to now is 238.2 secs Computing kpt #: 235 total cpu time spent up to now is 239.1 secs Computing kpt #: 236 total cpu time spent up to now is 239.9 secs Computing kpt #: 237 total cpu time spent up to now is 240.8 secs Computing kpt #: 238 total cpu time spent up to now is 241.7 secs Computing kpt #: 239 total cpu time spent up to now is 242.6 secs Computing kpt #: 240 total cpu time spent up to now is 243.5 secs Computing kpt #: 241 total cpu time spent up to now is 244.4 secs Computing kpt #: 242 total cpu time spent up to now is 245.4 secs Computing kpt #: 243 total cpu time spent up to now is 246.3 secs Computing kpt #: 244 total cpu time spent up to now is 247.3 secs Computing kpt #: 245 total cpu time spent up to now is 248.3 secs Computing kpt #: 246 total cpu time spent up to now is 249.3 secs Computing kpt #: 247 total cpu time spent up to now is 250.4 secs Computing kpt #: 248 total cpu time spent up to now is 251.4 secs Computing kpt #: 249 total cpu time spent up to now is 252.5 secs Computing kpt #: 250 total cpu time spent up to now is 253.4 secs Computing kpt #: 251 total cpu time spent up to now is 254.4 secs Computing kpt #: 252 total cpu time spent up to now is 255.4 secs Computing kpt #: 253 total cpu time spent up to now is 256.4 secs Computing kpt #: 254 total cpu time spent up to now is 257.4 secs Computing kpt #: 255 total cpu time spent up to now is 258.4 secs Computing kpt #: 256 total cpu time spent up to now is 259.4 secs Computing kpt #: 257 total cpu time spent up to now is 260.4 secs Computing kpt #: 258 total cpu time spent up to now is 261.4 secs Computing kpt #: 259 total cpu time spent up to now is 262.4 secs Computing kpt #: 260 total cpu time spent up to now is 263.5 secs Computing kpt #: 261 total cpu time spent up to now is 264.6 secs Computing kpt #: 262 total cpu time spent up to now is 265.6 secs Computing kpt #: 263 total cpu time spent up to now is 266.8 secs Computing kpt #: 264 total cpu time spent up to now is 268.0 secs Computing kpt #: 265 total cpu time spent up to now is 269.1 secs Computing kpt #: 266 total cpu time spent up to now is 270.3 secs Computing kpt #: 267 total cpu time spent up to now is 271.4 secs Computing kpt #: 268 total cpu time spent up to now is 272.6 secs Computing kpt #: 269 total cpu time spent up to now is 273.7 secs Computing kpt #: 270 total cpu time spent up to now is 274.8 secs Computing kpt #: 271 total cpu time spent up to now is 275.8 secs Computing kpt #: 272 total cpu time spent up to now is 276.8 secs Computing kpt #: 273 total cpu time spent up to now is 277.8 secs Computing kpt #: 274 total cpu time spent up to now is 278.8 secs Computing kpt #: 275 total cpu time spent up to now is 279.9 secs Computing kpt #: 276 total cpu time spent up to now is 280.8 secs Computing kpt #: 277 total cpu time spent up to now is 281.8 secs Computing kpt #: 278 total cpu time spent up to now is 282.7 secs Computing kpt #: 279 total cpu time spent up to now is 283.6 secs Computing kpt #: 280 total cpu time spent up to now is 284.5 secs Computing kpt #: 281 total cpu time spent up to now is 285.4 secs Computing kpt #: 282 total cpu time spent up to now is 286.3 secs Computing kpt #: 283 total cpu time spent up to now is 287.2 secs Computing kpt #: 284 total cpu time spent up to now is 288.0 secs Computing kpt #: 285 total cpu time spent up to now is 288.9 secs Computing kpt #: 286 total cpu time spent up to now is 289.8 secs Computing kpt #: 287 total cpu time spent up to now is 290.6 secs Computing kpt #: 288 total cpu time spent up to now is 291.5 secs Computing kpt #: 289 total cpu time spent up to now is 292.4 secs Computing kpt #: 290 total cpu time spent up to now is 293.2 secs Computing kpt #: 291 total cpu time spent up to now is 294.1 secs Computing kpt #: 292 total cpu time spent up to now is 295.0 secs Computing kpt #: 293 total cpu time spent up to now is 295.9 secs Computing kpt #: 294 total cpu time spent up to now is 296.8 secs Computing kpt #: 295 total cpu time spent up to now is 297.6 secs Computing kpt #: 296 total cpu time spent up to now is 298.5 secs Computing kpt #: 297 total cpu time spent up to now is 299.4 secs Computing kpt #: 298 total cpu time spent up to now is 300.3 secs Computing kpt #: 299 total cpu time spent up to now is 301.2 secs Computing kpt #: 300 total cpu time spent up to now is 302.1 secs Computing kpt #: 301 total cpu time spent up to now is 303.0 secs Computing kpt #: 302 total cpu time spent up to now is 303.9 secs Computing kpt #: 303 total cpu time spent up to now is 304.8 secs Computing kpt #: 304 total cpu time spent up to now is 305.7 secs Computing kpt #: 305 total cpu time spent up to now is 306.6 secs Computing kpt #: 306 total cpu time spent up to now is 307.6 secs Computing kpt #: 307 total cpu time spent up to now is 308.5 secs Computing kpt #: 308 total cpu time spent up to now is 309.5 secs Computing kpt #: 309 total cpu time spent up to now is 310.7 secs Computing kpt #: 310 total cpu time spent up to now is 311.8 secs Computing kpt #: 311 total cpu time spent up to now is 313.1 secs Computing kpt #: 312 total cpu time spent up to now is 315.4 secs Computing kpt #: 313 total cpu time spent up to now is 317.2 secs Computing kpt #: 314 total cpu time spent up to now is 318.2 secs Computing kpt #: 315 total cpu time spent up to now is 319.2 secs Computing kpt #: 316 total cpu time spent up to now is 320.1 secs Computing kpt #: 317 total cpu time spent up to now is 321.1 secs Computing kpt #: 318 total cpu time spent up to now is 322.1 secs Computing kpt #: 319 total cpu time spent up to now is 323.1 secs Computing kpt #: 320 total cpu time spent up to now is 324.1 secs Computing kpt #: 321 total cpu time spent up to now is 325.1 secs Computing kpt #: 322 total cpu time spent up to now is 326.1 secs Computing kpt #: 323 total cpu time spent up to now is 327.1 secs Computing kpt #: 324 total cpu time spent up to now is 328.1 secs Computing kpt #: 325 total cpu time spent up to now is 329.2 secs Computing kpt #: 326 total cpu time spent up to now is 330.3 secs Computing kpt #: 327 total cpu time spent up to now is 331.4 secs Computing kpt #: 328 total cpu time spent up to now is 332.4 secs Computing kpt #: 329 total cpu time spent up to now is 333.5 secs Computing kpt #: 330 total cpu time spent up to now is 334.6 secs Computing kpt #: 331 total cpu time spent up to now is 335.6 secs Computing kpt #: 332 total cpu time spent up to now is 336.6 secs Computing kpt #: 333 total cpu time spent up to now is 337.6 secs Computing kpt #: 334 total cpu time spent up to now is 338.5 secs Computing kpt #: 335 total cpu time spent up to now is 339.5 secs Computing kpt #: 336 total cpu time spent up to now is 340.4 secs Computing kpt #: 337 total cpu time spent up to now is 341.3 secs Computing kpt #: 338 total cpu time spent up to now is 342.2 secs Computing kpt #: 339 total cpu time spent up to now is 343.1 secs Computing kpt #: 340 total cpu time spent up to now is 344.0 secs Computing kpt #: 341 total cpu time spent up to now is 344.9 secs Computing kpt #: 342 total cpu time spent up to now is 345.8 secs Computing kpt #: 343 total cpu time spent up to now is 346.8 secs Computing kpt #: 344 total cpu time spent up to now is 347.8 secs Computing kpt #: 345 total cpu time spent up to now is 348.9 secs Computing kpt #: 346 total cpu time spent up to now is 350.0 secs Computing kpt #: 347 total cpu time spent up to now is 351.0 secs Computing kpt #: 348 total cpu time spent up to now is 352.1 secs Computing kpt #: 349 total cpu time spent up to now is 353.2 secs Computing kpt #: 350 total cpu time spent up to now is 354.3 secs Computing kpt #: 351 total cpu time spent up to now is 355.3 secs Computing kpt #: 352 total cpu time spent up to now is 356.4 secs Computing kpt #: 353 total cpu time spent up to now is 357.5 secs Computing kpt #: 354 total cpu time spent up to now is 358.6 secs Computing kpt #: 355 total cpu time spent up to now is 359.6 secs Computing kpt #: 356 total cpu time spent up to now is 360.7 secs Computing kpt #: 357 total cpu time spent up to now is 361.7 secs Computing kpt #: 358 total cpu time spent up to now is 362.8 secs Computing kpt #: 359 total cpu time spent up to now is 363.9 secs Computing kpt #: 360 total cpu time spent up to now is 364.9 secs Computing kpt #: 361 total cpu time spent up to now is 365.9 secs Computing kpt #: 362 total cpu time spent up to now is 367.0 secs Computing kpt #: 363 total cpu time spent up to now is 368.0 secs Computing kpt #: 364 total cpu time spent up to now is 369.1 secs Computing kpt #: 365 total cpu time spent up to now is 370.1 secs Computing kpt #: 366 total cpu time spent up to now is 371.1 secs Computing kpt #: 367 total cpu time spent up to now is 372.1 secs Computing kpt #: 368 total cpu time spent up to now is 373.1 secs Computing kpt #: 369 total cpu time spent up to now is 374.0 secs Computing kpt #: 370 total cpu time spent up to now is 374.8 secs Computing kpt #: 371 total cpu time spent up to now is 375.7 secs Computing kpt #: 372 total cpu time spent up to now is 376.5 secs Computing kpt #: 373 total cpu time spent up to now is 377.4 secs Computing kpt #: 374 total cpu time spent up to now is 378.2 secs Computing kpt #: 375 total cpu time spent up to now is 379.1 secs Computing kpt #: 376 total cpu time spent up to now is 380.0 secs Computing kpt #: 377 total cpu time spent up to now is 380.9 secs Computing kpt #: 378 total cpu time spent up to now is 381.8 secs Computing kpt #: 379 total cpu time spent up to now is 382.7 secs Computing kpt #: 380 total cpu time spent up to now is 383.6 secs Computing kpt #: 381 total cpu time spent up to now is 384.6 secs Computing kpt #: 382 total cpu time spent up to now is 385.5 secs Computing kpt #: 383 total cpu time spent up to now is 386.5 secs Computing kpt #: 384 total cpu time spent up to now is 387.5 secs Computing kpt #: 385 total cpu time spent up to now is 388.5 secs Computing kpt #: 386 total cpu time spent up to now is 389.4 secs Computing kpt #: 387 total cpu time spent up to now is 390.4 secs Computing kpt #: 388 total cpu time spent up to now is 391.4 secs Computing kpt #: 389 total cpu time spent up to now is 392.4 secs Computing kpt #: 390 total cpu time spent up to now is 393.4 secs Computing kpt #: 391 total cpu time spent up to now is 394.3 secs Computing kpt #: 392 total cpu time spent up to now is 395.2 secs Computing kpt #: 393 total cpu time spent up to now is 396.1 secs Computing kpt #: 394 total cpu time spent up to now is 397.0 secs Computing kpt #: 395 total cpu time spent up to now is 398.1 secs Computing kpt #: 396 total cpu time spent up to now is 399.2 secs Computing kpt #: 397 total cpu time spent up to now is 400.3 secs Computing kpt #: 398 total cpu time spent up to now is 401.4 secs Computing kpt #: 399 total cpu time spent up to now is 402.5 secs Computing kpt #: 400 total cpu time spent up to now is 403.6 secs Computing kpt #: 401 total cpu time spent up to now is 404.8 secs Computing kpt #: 402 total cpu time spent up to now is 405.9 secs Computing kpt #: 403 total cpu time spent up to now is 407.0 secs Computing kpt #: 404 total cpu time spent up to now is 408.0 secs Computing kpt #: 405 total cpu time spent up to now is 409.0 secs Computing kpt #: 406 total cpu time spent up to now is 410.1 secs Computing kpt #: 407 total cpu time spent up to now is 411.1 secs Computing kpt #: 408 total cpu time spent up to now is 412.2 secs Computing kpt #: 409 total cpu time spent up to now is 413.2 secs Computing kpt #: 410 total cpu time spent up to now is 414.3 secs Computing kpt #: 411 total cpu time spent up to now is 415.3 secs Computing kpt #: 412 total cpu time spent up to now is 416.4 secs Computing kpt #: 413 total cpu time spent up to now is 417.6 secs Computing kpt #: 414 total cpu time spent up to now is 418.7 secs Computing kpt #: 415 total cpu time spent up to now is 419.9 secs Computing kpt #: 416 total cpu time spent up to now is 421.0 secs Computing kpt #: 417 total cpu time spent up to now is 422.2 secs Computing kpt #: 418 total cpu time spent up to now is 423.4 secs Computing kpt #: 419 total cpu time spent up to now is 424.6 secs Computing kpt #: 420 total cpu time spent up to now is 425.7 secs ethr = 2.50E-11, avg # of iterations = 34.3 total cpu time spent up to now is 425.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3525 PWs) bands (ev): -2.9020 -2.9020 0.4227 0.4227 0.6064 0.6064 1.8975 1.8975 3.8484 3.8484 5.4694 5.4694 6.3982 6.3982 6.9805 6.9805 7.2356 7.2356 7.3542 7.3542 7.5274 7.5274 7.7592 7.7592 7.8245 7.8245 7.9916 7.9916 8.1546 8.1546 8.1917 8.1917 8.6794 8.6794 9.2614 9.2614 9.6075 9.6075 10.2154 10.2154 12.9983 12.9983 13.4488 13.4488 14.3811 14.3811 14.4204 14.4204 k = 0.0109-0.0000-0.0000 ( 3529 PWs) bands (ev): -2.9006 -2.9006 0.4237 0.4237 0.6076 0.6076 1.8983 1.8983 3.8499 3.8499 5.4701 5.4701 6.3990 6.3990 6.9751 6.9751 7.2339 7.2339 7.3599 7.3599 7.5277 7.5277 7.7563 7.7563 7.8280 7.8280 7.9915 7.9915 8.1540 8.1540 8.1915 8.1915 8.6779 8.6779 9.2602 9.2602 9.5966 9.5966 10.2208 10.2208 12.9788 12.9788 13.4553 13.4553 14.2840 14.2840 14.5061 14.5061 k = 0.0217-0.0000-0.0000 ( 3529 PWs) bands (ev): -2.8962 -2.8962 0.4267 0.4267 0.6111 0.6111 1.9007 1.9007 3.8543 3.8543 5.4723 5.4723 6.4013 6.4013 6.9597 6.9597 7.2290 7.2290 7.3762 7.3762 7.5288 7.5288 7.7481 7.7481 7.8376 7.8376 7.9914 7.9914 8.1523 8.1523 8.1907 8.1907 8.6735 8.6735 9.2566 9.2566 9.5655 9.5655 10.2356 10.2356 12.9249 12.9249 13.4692 13.4692 14.1632 14.1632 14.5946 14.5946 k = 0.0326-0.0000-0.0000 ( 3535 PWs) bands (ev): -2.8890 -2.8890 0.4318 0.4318 0.6170 0.6170 1.9048 1.9048 3.8617 3.8617 5.4759 5.4759 6.4052 6.4052 6.9365 6.9365 7.2209 7.2209 7.4004 7.4004 7.5307 7.5307 7.7356 7.7356 7.8518 7.8518 7.9911 7.9911 8.1494 8.1494 8.1894 8.1894 8.6658 8.6658 9.2507 9.2507 9.5184 9.5184 10.2569 10.2569 12.8452 12.8452 13.4775 13.4775 14.0436 14.0436 14.6684 14.6684 k = 0.0435-0.0000-0.0000 ( 3529 PWs) bands (ev): -2.8789 -2.8789 0.4388 0.4388 0.6252 0.6252 1.9105 1.9105 3.8720 3.8720 5.4810 5.4810 6.4106 6.4106 6.9081 6.9081 7.2102 7.2102 7.4295 7.4295 7.5334 7.5334 7.7197 7.7197 7.8696 7.8696 7.9910 7.9910 8.1455 8.1455 8.1878 8.1878 8.6550 8.6550 9.2421 9.2421 9.4606 9.4606 10.2816 10.2816 12.7469 12.7469 13.4629 13.4629 13.9393 13.9393 14.7278 14.7278 k = 0.0543-0.0000-0.0000 ( 3523 PWs) bands (ev): -2.8660 -2.8660 0.4478 0.4478 0.6358 0.6358 1.9177 1.9177 3.8853 3.8853 5.4873 5.4873 6.4175 6.4175 6.8762 6.8762 7.1973 7.1973 7.4594 7.4594 7.5373 7.5373 7.7011 7.7011 7.8902 7.8902 7.9912 7.9912 8.1403 8.1403 8.1860 8.1860 8.6407 8.6407 9.2310 9.2310 9.3969 9.3969 10.3074 10.3074 12.6349 12.6349 13.4072 13.4072 13.8677 13.8677 14.7744 14.7744 k = 0.0652-0.0000-0.0000 ( 3523 PWs) bands (ev): -2.8501 -2.8501 0.4587 0.4587 0.6487 0.6487 1.9266 1.9266 3.9015 3.9015 5.4948 5.4948 6.4259 6.4259 6.8422 6.8422 7.1824 7.1824 7.4849 7.4849 7.5424 7.5424 7.6826 7.6826 7.9125 7.9125 7.9922 7.9922 8.1339 8.1339 8.1839 8.1839 8.6227 8.6227 9.2169 9.2169 9.3317 9.3317 10.3329 10.3329 12.5123 12.5123 13.3060 13.3060 13.8338 13.8338 14.7526 14.7526 k = 0.0761-0.0000-0.0000 ( 3525 PWs) bands (ev): -2.8314 -2.8314 0.4714 0.4714 0.6638 0.6638 1.9370 1.9370 3.9205 3.9205 5.5035 5.5035 6.4357 6.4357 6.8069 6.8069 7.1661 7.1661 7.4971 7.4971 7.5472 7.5472 7.6723 7.6723 7.9347 7.9347 7.9955 7.9955 8.1264 8.1264 8.1819 8.1819 8.6013 8.6013 9.1994 9.1994 9.2689 9.2689 10.3572 10.3572 12.3814 12.3814 13.1729 13.1729 13.8246 13.8246 14.5836 14.5836 k = 0.0870-0.0000-0.0000 ( 3527 PWs) bands (ev): -2.8098 -2.8098 0.4859 0.4859 0.6813 0.6813 1.9489 1.9489 3.9425 3.9425 5.5132 5.5132 6.4468 6.4468 6.7709 6.7709 7.1488 7.1488 7.4854 7.4854 7.5497 7.5497 7.6809 7.6809 7.9531 7.9531 8.0042 8.0042 8.1177 8.1177 8.1802 8.1802 8.5768 8.5768 9.1768 9.1768 9.2129 9.2129 10.3801 10.3801 12.2442 12.2442 13.0232 13.0232 13.8264 13.8264 14.4056 14.4056 k = 0.0978-0.0000-0.0000 ( 3527 PWs) bands (ev): -2.7854 -2.7854 0.5022 0.5022 0.7011 0.7011 1.9623 1.9623 3.9673 3.9673 5.5237 5.5237 6.4593 6.4593 6.7346 6.7346 7.1307 7.1307 7.4461 7.4461 7.5531 7.5531 7.7074 7.7074 7.9637 7.9637 8.0218 8.0218 8.1079 8.1079 8.1795 8.1795 8.5501 8.5501 9.1434 9.1434 9.1707 9.1707 10.4017 10.4017 12.1022 12.1022 12.8656 12.8656 13.8314 13.8314 14.2216 14.2216 k = 0.1087-0.0000-0.0000 ( 3527 PWs) bands (ev): -2.7581 -2.7581 0.5200 0.5200 0.7231 0.7231 1.9771 1.9771 3.9949 3.9949 5.5346 5.5346 6.4730 6.4730 6.6982 6.6982 7.1121 7.1121 7.3859 7.3859 7.5581 7.5581 7.7427 7.7427 7.9683 7.9683 8.0457 8.0457 8.0974 8.0974 8.1807 8.1807 8.5227 8.5227 9.1023 9.1023 9.1399 9.1399 10.4218 10.4218 11.9569 11.9569 12.7051 12.7051 13.8354 13.8354 14.0342 14.0342 k = 0.1196-0.0000-0.0000 ( 3531 PWs) bands (ev): -2.7279 -2.7279 0.5394 0.5394 0.7474 0.7474 1.9933 1.9933 4.0253 4.0253 5.5458 5.5458 6.4879 6.4879 6.6619 6.6619 7.0932 7.0932 7.3110 7.3110 7.5639 7.5639 7.7809 7.7809 7.9705 7.9705 8.0691 8.0691 8.0879 8.0879 8.1853 8.1853 8.4956 8.4956 9.0636 9.0636 9.1099 9.1099 10.4408 10.4408 11.8096 11.8096 12.5446 12.5446 13.8222 13.8222 13.8595 13.8595 k = 0.1304-0.0000-0.0000 ( 3535 PWs) bands (ev): -2.6950 -2.6950 0.5602 0.5602 0.7739 0.7739 2.0109 2.0109 4.0585 4.0585 5.5568 5.5568 6.5038 6.5038 6.6258 6.6258 7.0740 7.0740 7.2251 7.2251 7.5699 7.5699 7.8184 7.8184 7.9725 7.9725 8.0691 8.0691 8.0991 8.0991 8.1957 8.1957 8.4703 8.4703 9.0286 9.0286 9.0782 9.0782 10.4589 10.4589 11.6615 11.6615 12.3860 12.3860 13.6484 13.6484 13.8410 13.8410 k = 0.1413-0.0000-0.0000 ( 3543 PWs) bands (ev): -2.6592 -2.6592 0.5822 0.5822 0.8026 0.8026 2.0297 2.0297 4.0943 4.0943 5.5670 5.5670 6.5203 6.5203 6.5903 6.5903 7.0544 7.0544 7.1313 7.1313 7.5759 7.5759 7.8524 7.8524 7.9751 7.9751 8.0559 8.0559 8.1184 8.1184 8.2141 8.2141 8.4473 8.4473 8.9952 8.9952 9.0460 9.0460 10.4762 10.4762 11.5137 11.5137 12.2310 12.2310 13.4578 13.4578 13.8353 13.8353 k = 0.1522-0.0000-0.0000 ( 3541 PWs) bands (ev): -2.6206 -2.6206 0.6053 0.6053 0.8334 0.8334 2.0498 2.0498 4.1328 4.1328 5.5757 5.5757 6.5342 6.5342 6.5584 6.5584 7.0240 7.0240 7.0432 7.0432 7.5816 7.5816 7.8803 7.8803 7.9794 7.9794 8.0410 8.0410 8.1352 8.1352 8.2407 8.2407 8.4275 8.4275 8.9591 8.9591 9.0161 9.0161 10.4929 10.4929 11.3674 11.3674 12.0807 12.0807 13.2676 13.2676 13.8253 13.8253 k = 0.1630-0.0000-0.0000 ( 3535 PWs) bands (ev): -2.5792 -2.5792 0.6292 0.6292 0.8663 0.8663 2.0710 2.0710 4.1738 4.1738 5.5818 5.5818 6.5141 6.5141 6.5613 6.5613 6.9280 6.9280 7.0188 7.0188 7.5865 7.5865 7.9000 7.9000 7.9849 7.9849 8.0255 8.0255 8.1519 8.1519 8.2732 8.2732 8.4111 8.4111 8.9166 8.9166 8.9914 8.9914 10.5090 10.5090 11.2235 11.2235 11.9364 11.9364 13.0789 13.0789 13.8101 13.8101 k = 0.1739-0.0000-0.0000 ( 3531 PWs) bands (ev): -2.5351 -2.5351 0.6539 0.6539 0.9013 0.9013 2.0932 2.0932 4.2172 4.2172 5.5841 5.5841 6.4789 6.4789 6.5796 6.5796 6.8282 6.8282 6.9998 6.9998 7.5903 7.5903 7.9119 7.9119 7.9883 7.9883 8.0115 8.0115 8.1704 8.1704 8.3086 8.3086 8.3991 8.3991 8.8670 8.8670 8.9717 8.9717 10.5246 10.5246 11.0832 11.0832 11.7989 11.7989 12.8926 12.8926 13.7887 13.7887 k = 0.1848-0.0000-0.0000 ( 3531 PWs) bands (ev): -2.4882 -2.4882 0.6790 0.6790 0.9384 0.9384 2.1164 2.1164 4.2629 4.2629 5.5808 5.5808 6.4422 6.4422 6.5992 6.5992 6.7334 6.7334 6.9811 6.9811 7.5922 7.5922 7.9179 7.9179 7.9800 7.9800 8.0064 8.0064 8.1911 8.1911 8.3408 8.3408 8.3959 8.3959 8.8115 8.8115 8.9555 8.9555 10.5393 10.5393 10.9475 10.9475 11.6693 11.6693 12.7093 12.7093 13.7603 13.7603 k = 0.1957-0.0000-0.0000 ( 3527 PWs) bands (ev): -2.4385 -2.4385 0.7042 0.7042 0.9774 0.9774 2.1404 2.1404 4.3107 4.3107 5.5698 5.5698 6.4044 6.4044 6.6176 6.6176 6.6496 6.6496 6.9626 6.9626 7.5916 7.5916 7.9196 7.9196 7.9632 7.9632 8.0073 8.0073 8.2126 8.2126 8.3548 8.3548 8.4148 8.4148 8.7519 8.7519 8.9418 8.9418 10.5516 10.5516 10.8187 10.8187 11.5486 11.5486 12.5295 12.5295 13.7240 13.7240 k = 0.2065-0.0000-0.0000 ( 3521 PWs) bands (ev): -2.3862 -2.3862 0.7293 0.7293 1.0184 1.0184 2.1652 2.1652 4.3603 4.3603 5.5492 5.5492 6.3663 6.3663 6.5720 6.5720 6.6427 6.6427 6.9441 6.9441 7.5874 7.5874 7.9156 7.9156 7.9471 7.9471 8.0078 8.0078 8.2330 8.2330 8.3538 8.3538 8.4499 8.4499 8.6913 8.6913 8.9299 8.9299 10.5545 10.5545 10.7043 10.7043 11.4376 11.4376 12.3538 12.3538 13.6789 13.6789 k = 0.2174-0.0000-0.0000 ( 3522 PWs) bands (ev): -2.3311 -2.3311 0.7539 0.7539 1.0612 1.0612 2.1907 2.1907 4.4114 4.4114 5.5171 5.5171 6.3293 6.3293 6.5131 6.5131 6.6632 6.6632 6.9255 6.9255 7.5788 7.5788 7.9007 7.9007 7.9392 7.9392 8.0073 8.0073 8.2503 8.2503 8.3501 8.3501 8.4803 8.4803 8.6388 8.6388 8.9192 8.9192 10.5126 10.5126 10.6400 10.6400 11.3372 11.3372 12.1828 12.1828 13.6245 13.6245 k = 0.2283-0.0000-0.0000 ( 3522 PWs) bands (ev): -2.2734 -2.2734 0.7775 0.7775 1.1058 1.1058 2.2166 2.2166 4.4635 4.4635 5.4731 5.4731 6.2959 6.2959 6.4675 6.4675 6.6843 6.6843 6.9067 6.9067 7.5641 7.5641 7.8774 7.8774 7.9375 7.9375 8.0064 8.0064 8.2631 8.2631 8.3464 8.3464 8.4778 8.4778 8.6207 8.6207 8.9096 8.9096 10.4152 10.4152 10.6365 10.6365 11.2480 11.2480 12.0171 12.0171 13.5605 13.5605 k = 0.2391-0.0000-0.0000 ( 3530 PWs) bands (ev): -2.2131 -2.2131 0.7998 0.7998 1.1522 1.1522 2.2428 2.2428 4.5158 4.5158 5.4189 5.4189 6.2678 6.2678 6.4340 6.4340 6.7053 6.7053 6.8872 6.8872 7.5417 7.5417 7.8503 7.8503 7.9378 7.9378 8.0058 8.0058 8.2695 8.2695 8.3410 8.3410 8.4367 8.4367 8.6464 8.6464 8.9011 8.9011 10.3067 10.3067 10.6494 10.6494 11.1708 11.1708 11.8574 11.8574 13.4875 13.4875 k = 0.2500-0.0000-0.0000 ( 3532 PWs) bands (ev): -2.1501 -2.1501 0.8203 0.8203 1.2002 1.2002 2.2692 2.2692 4.5669 4.5669 5.3579 5.3579 6.2448 6.2448 6.4116 6.4116 6.7261 6.7261 6.8672 6.8672 7.5100 7.5100 7.8211 7.8211 7.9382 7.9382 8.0064 8.0064 8.2649 8.2649 8.3277 8.3277 8.3961 8.3961 8.6879 8.6879 8.8938 8.8938 10.1989 10.1989 10.6667 10.6667 11.1060 11.1060 11.7043 11.7043 13.4067 13.4067 k = 0.2609-0.0000-0.0000 ( 3540 PWs) bands (ev): -2.0846 -2.0846 0.8383 0.8383 1.2498 1.2498 2.2956 2.2956 4.6148 4.6148 5.2955 5.2955 6.2251 6.2251 6.3998 6.3998 6.7463 6.7463 6.8460 6.8460 7.4672 7.4672 7.7905 7.7905 7.9376 7.9376 8.0091 8.0091 8.2369 8.2369 8.3107 8.3107 8.3785 8.3785 8.7314 8.7314 8.8886 8.8886 10.0938 10.0938 10.6861 10.6861 11.0538 11.0538 11.5589 11.5589 13.3197 13.3197 k = 0.2717-0.0000-0.0000 ( 3540 PWs) bands (ev): -2.0166 -2.0166 0.8535 0.8535 1.3008 1.3008 2.3218 2.3218 4.6559 4.6559 5.2386 5.2386 6.2065 6.2065 6.3983 6.3983 6.7660 6.7660 6.8237 6.8237 7.4121 7.4121 7.7590 7.7590 7.9352 7.9352 8.0139 8.0139 8.1885 8.1885 8.3032 8.3032 8.3731 8.3731 8.7706 8.7706 8.8875 8.8875 9.9916 9.9916 10.7070 10.7070 11.0144 11.0144 11.4221 11.4221 13.2285 13.2285 k = 0.2826-0.0000-0.0000 ( 3540 PWs) bands (ev): -1.9460 -1.9460 0.8650 0.8650 1.3531 1.3531 2.3476 2.3476 4.6848 4.6848 5.1957 5.1957 6.1877 6.1877 6.4062 6.4062 6.7845 6.7845 6.7999 6.7999 7.3440 7.3440 7.7274 7.7274 7.9308 7.9308 8.0195 8.0195 8.1388 8.1388 8.3002 8.3002 8.3704 8.3704 8.7987 8.7987 8.8951 8.8951 9.8920 9.8920 10.7290 10.7290 10.9876 10.9876 11.2952 11.2952 13.1349 13.1349 k = 0.2935-0.0000-0.0000 ( 3536 PWs) bands (ev): -1.8731 -1.8731 0.8723 0.8723 1.4067 1.4067 2.3728 2.3728 4.6954 4.6954 5.1754 5.1754 6.1683 6.1683 6.4218 6.4218 6.7737 6.7737 6.8025 6.8025 7.2630 7.2630 7.6961 7.6961 7.9242 7.9242 8.0207 8.0207 8.1005 8.1005 8.2987 8.2987 8.3676 8.3676 8.8109 8.8109 8.9144 8.9144 9.7948 9.7948 10.7519 10.7519 10.9732 10.9732 11.1797 11.1797 13.0404 13.0404 k = 0.3043-0.0000-0.0000 ( 3536 PWs) bands (ev): -1.7977 -1.7977 0.8748 0.8748 1.4614 1.4614 2.3972 2.3972 4.6852 4.6852 5.1824 5.1824 6.1487 6.1487 6.4435 6.4435 6.7457 6.7457 6.8186 6.8186 7.1705 7.1705 7.6658 7.6658 7.9148 7.9148 8.0064 8.0064 8.0863 8.0863 8.2978 8.2978 8.3641 8.3641 8.8112 8.8112 8.9395 8.9395 9.6998 9.6998 10.7752 10.7752 10.9705 10.9705 11.0778 11.0778 12.9462 12.9462 k = 0.3152-0.0000-0.0000 ( 3538 PWs) bands (ev): -1.7201 -1.7201 0.8718 0.8718 1.5170 1.5170 2.4204 2.4204 4.6587 4.6587 5.2137 5.2137 6.1291 6.1291 6.4696 6.4696 6.7154 6.7154 6.8330 6.8330 7.0682 7.0682 7.6374 7.6374 7.9018 7.9018 7.9804 7.9804 8.0931 8.0931 8.2973 8.2973 8.3597 8.3597 8.8056 8.8056 8.9625 8.9625 9.6067 9.6067 10.7977 10.7977 10.9759 10.9759 10.9953 10.9953 12.8532 12.8532 k = 0.3261-0.0000-0.0000 ( 3538 PWs) bands (ev): -1.6402 -1.6402 0.8626 0.8626 1.5734 1.5734 2.4423 2.4423 4.6242 4.6242 5.2626 5.2626 6.1100 6.1100 6.4986 6.4986 6.6831 6.6831 6.8450 6.8450 6.9588 6.9588 7.6117 7.6117 7.8836 7.8836 7.9559 7.9559 8.1082 8.1082 8.2972 8.2972 8.3547 8.3547 8.7971 8.7971 8.9789 8.9789 9.5156 9.5156 10.8147 10.8147 10.9273 10.9273 11.0000 11.0000 12.7617 12.7617 k = 0.3370-0.0000-0.0000 ( 3538 PWs) bands (ev): -1.5580 -1.5580 0.8469 0.8469 1.6305 1.6305 2.4626 2.4626 4.5888 4.5888 5.3229 5.3229 6.0915 6.0915 6.5281 6.5281 6.6504 6.6504 6.8318 6.8318 6.8666 6.8666 7.5892 7.5892 7.8597 7.8597 7.9368 7.9368 8.1268 8.1268 8.2976 8.2976 8.3496 8.3496 8.7869 8.7869 8.9861 8.9861 9.4265 9.4265 10.8118 10.8118 10.9029 10.9029 11.0287 11.0287 12.6720 12.6720 k = 0.3478-0.0000-0.0000 ( 3538 PWs) bands (ev): -1.4738 -1.4738 0.8241 0.8241 1.6879 1.6879 2.4809 2.4809 4.5572 4.5572 5.3906 5.3906 6.0740 6.0740 6.5500 6.5500 6.6243 6.6243 6.7184 6.7184 6.8685 6.8685 7.5707 7.5707 7.8314 7.8314 7.9222 7.9222 8.1473 8.1473 8.2985 8.2985 8.3446 8.3446 8.7752 8.7752 8.9826 8.9826 9.3395 9.3395 10.7911 10.7911 10.9159 10.9159 11.0665 11.0665 12.5843 12.5843 k = 0.3587-0.0000-0.0000 ( 3540 PWs) bands (ev): -1.3876 -1.3876 0.7940 0.7940 1.7456 1.7456 2.4970 2.4970 4.5325 4.5325 5.4630 5.4630 6.0575 6.0575 6.5409 6.5409 6.5912 6.5912 6.6334 6.6334 6.8745 6.8745 7.5563 7.5563 7.8002 7.8002 7.9099 7.9099 8.1689 8.1689 8.2997 8.2997 8.3401 8.3401 8.7623 8.7623 8.9681 8.9681 9.2550 9.2550 10.7768 10.7768 10.9427 10.9427 11.1122 11.1122 12.4986 12.4986 k = 0.3696-0.0000-0.0000 ( 3538 PWs) bands (ev): -1.2995 -1.2995 0.7565 0.7565 1.8033 1.8033 2.5106 2.5106 4.5165 4.5165 5.5383 5.5383 6.0424 6.0424 6.4682 6.4682 6.5071 6.5071 6.6603 6.6603 6.8785 6.8785 7.5464 7.5464 7.7669 7.7669 7.8987 7.8987 8.1910 8.1910 8.3016 8.3016 8.3367 8.3367 8.7481 8.7481 8.9432 8.9432 9.1733 9.1733 10.7772 10.7772 10.9747 10.9747 11.1650 11.1650 12.4147 12.4147 k = 0.3804-0.0000-0.0000 ( 3538 PWs) bands (ev): -1.2096 -1.2096 0.7115 0.7115 1.8608 1.8608 2.5214 2.5214 4.5101 4.5101 5.6152 5.6152 6.0286 6.0286 6.3434 6.3434 6.4663 6.4663 6.6951 6.6951 6.8806 6.8806 7.5408 7.5408 7.7318 7.7318 7.8876 7.8876 8.2133 8.2133 8.3041 8.3041 8.3347 8.3347 8.7326 8.7326 8.9096 8.9096 9.0946 9.0946 10.7935 10.7935 11.0099 11.0099 11.2238 11.2238 12.3326 12.3326 k = 0.3913-0.0000-0.0000 ( 3526 PWs) bands (ev): -1.1180 -1.1180 0.6593 0.6593 1.9178 1.9178 2.5291 2.5291 4.5139 4.5139 5.6918 5.6918 6.0163 6.0163 6.2198 6.2198 6.4242 6.4242 6.7302 6.7302 6.8815 6.8815 7.5392 7.5392 7.6950 7.6950 7.8764 7.8764 8.2350 8.2350 8.3074 8.3074 8.3347 8.3347 8.7154 8.7154 8.8698 8.8698 9.0193 9.0193 10.8244 10.8244 11.0477 11.0477 11.2879 11.2879 12.2521 12.2521 k = 0.4022-0.0000-0.0000 ( 3538 PWs) bands (ev): -1.0249 -1.0249 0.6002 0.6002 1.9740 1.9740 2.5334 2.5334 4.5281 4.5281 5.7649 5.7649 6.0046 6.0046 6.1016 6.1016 6.3829 6.3829 6.7616 6.7616 6.8835 6.8835 7.5408 7.5408 7.6568 7.6568 7.8645 7.8645 8.2554 8.2554 8.3114 8.3114 8.3373 8.3373 8.6958 8.6958 8.8268 8.8268 8.9476 8.9476 10.8683 10.8683 11.0880 11.0880 11.3561 11.3561 12.1733 12.1733 k = 0.4130-0.0000-0.0000 ( 3534 PWs) bands (ev): -0.9304 -0.9304 0.5346 0.5346 2.0292 2.0292 2.5342 2.5342 4.5525 4.5525 5.8216 5.8216 5.9773 5.9773 6.0172 6.0172 6.3444 6.3444 6.7827 6.7827 6.8926 6.8926 7.5435 7.5435 7.6193 7.6193 7.8519 7.8519 8.2737 8.2737 8.3169 8.3169 8.3432 8.3432 8.6731 8.6731 8.7839 8.7839 8.8798 8.8798 10.9234 10.9234 11.1307 11.1307 11.4273 11.4273 12.0961 12.0961 k = 0.4239-0.0000-0.0000 ( 3536 PWs) bands (ev): -0.8346 -0.8346 0.4631 0.4631 2.0830 2.0830 2.5312 2.5312 4.5869 4.5869 5.7971 5.7971 5.9577 5.9577 6.0064 6.0064 6.3112 6.3112 6.7867 6.7867 6.9148 6.9148 7.5372 7.5372 7.5922 7.5922 7.8381 7.8381 8.2888 8.2888 8.3242 8.3242 8.3526 8.3526 8.6461 8.6461 8.7445 8.7445 8.8164 8.8164 10.9877 10.9877 11.1758 11.1758 11.4996 11.4996 12.0204 12.0204 k = 0.4348-0.0000-0.0000 ( 3532 PWs) bands (ev): -0.7379 -0.7379 0.3862 0.3862 2.1351 2.1351 2.5241 2.5241 4.6309 4.6309 5.6971 5.6971 5.9789 5.9789 6.0264 6.0264 6.2883 6.2883 6.7751 6.7751 6.9481 6.9481 7.5063 7.5063 7.5907 7.5907 7.8233 7.8233 8.3010 8.3010 8.3334 8.3334 8.3650 8.3650 8.6146 8.6146 8.7108 8.7108 8.7582 8.7582 11.0595 11.0595 11.2234 11.2234 11.5704 11.5704 11.9464 11.9464 k = 0.4457-0.0000-0.0000 ( 3532 PWs) bands (ev): -0.6405 -0.6405 0.3047 0.3047 2.1852 2.1852 2.5130 2.5130 4.6839 4.6839 5.5856 5.5856 5.9844 5.9844 6.0612 6.0612 6.2848 6.2848 6.7526 6.7526 6.9875 6.9875 7.4625 7.4625 7.6032 7.6032 7.8072 7.8072 8.3120 8.3120 8.3445 8.3445 8.3786 8.3786 8.5802 8.5802 8.6824 8.6824 8.7063 8.7063 11.1371 11.1371 11.2738 11.2738 11.6351 11.6351 11.8740 11.8740 k = 0.4565-0.0000-0.0000 ( 3528 PWs) bands (ev): -0.5425 -0.5425 0.2192 0.2192 2.2331 2.2331 2.4977 2.4977 4.7454 4.7454 5.4742 5.4742 5.9880 5.9880 6.0769 6.0769 6.3093 6.3093 6.7220 6.7220 7.0301 7.0301 7.4147 7.4147 7.6205 7.6205 7.7896 7.7896 8.3231 8.3231 8.3572 8.3572 8.3911 8.3911 8.5455 8.5455 8.6556 8.6556 8.6644 8.6644 11.2186 11.2186 11.3271 11.3271 11.6856 11.6856 11.8035 11.8035 k = 0.4674-0.0000-0.0000 ( 3526 PWs) bands (ev): -0.4442 -0.4442 0.1302 0.1302 2.2783 2.2783 2.4782 2.4782 4.8148 4.8148 5.3656 5.3656 5.9936 5.9936 6.0724 6.0724 6.3570 6.3570 6.6842 6.6842 7.0746 7.0746 7.3654 7.3654 7.6405 7.6405 7.7706 7.7706 8.3355 8.3355 8.3718 8.3718 8.3995 8.3995 8.5127 8.5127 8.6244 8.6244 8.6397 8.6397 11.3018 11.3018 11.3842 11.3842 11.7083 11.7083 11.7365 11.7365 k = 0.4783-0.0000-0.0000 ( 3524 PWs) bands (ev): -0.3460 -0.3460 0.0385 0.0385 2.3205 2.3205 2.4545 2.4545 4.8916 4.8916 5.2606 5.2606 6.0018 6.0018 6.0584 6.0584 6.4151 6.4151 6.6400 6.6400 7.1206 7.1206 7.3154 7.3154 7.6620 7.6620 7.7504 7.7504 8.3494 8.3494 8.3875 8.3875 8.4020 8.4020 8.4828 8.4828 8.6021 8.6021 8.6209 8.6209 11.3832 11.3832 11.4465 11.4465 11.6642 11.6642 11.7018 11.7018 k = 0.4891-0.0000-0.0000 ( 3526 PWs) bands (ev): -0.2482 -0.2482 -0.0555 -0.0555 2.3595 2.3595 2.4267 2.4267 4.9751 4.9751 5.1602 5.1602 6.0128 6.0128 6.0421 6.0421 6.4757 6.4757 6.5898 6.5898 7.1679 7.1679 7.2655 7.2655 7.6843 7.6843 7.7290 7.7290 8.3644 8.3644 8.3911 8.3911 8.4111 8.4111 8.4560 8.4560 8.5929 8.5929 8.6055 8.6055 11.4586 11.4586 11.5140 11.5140 11.5998 11.5998 11.6566 11.6566 k = 0.5000-0.0000-0.0000 ( 3526 PWs) bands (ev): -0.1513 -0.1513 -0.1513 -0.1513 2.3950 2.3950 2.3950 2.3950 5.0648 5.0648 5.0648 5.0648 6.0264 6.0264 6.0264 6.0264 6.5347 6.5347 6.5347 6.5347 7.2163 7.2163 7.2163 7.2163 7.7068 7.7068 7.7068 7.7068 8.3794 8.3794 8.3794 8.3794 8.4320 8.4320 8.4320 8.4320 8.5952 8.5952 8.5952 8.5952 11.5259 11.5259 11.5259 11.5259 11.5935 11.5935 11.5935 11.5935 k = 0.5000-0.0000-0.0000 ( 3526 PWs) bands (ev): -0.1513 -0.1513 -0.1513 -0.1513 2.3950 2.3950 2.3950 2.3950 5.0648 5.0648 5.0648 5.0648 6.0264 6.0264 6.0264 6.0264 6.5347 6.5347 6.5347 6.5347 7.2163 7.2163 7.2163 7.2163 7.7068 7.7068 7.7068 7.7068 8.3794 8.3794 8.3794 8.3794 8.4320 8.4320 8.4320 8.4320 8.5952 8.5952 8.5952 8.5952 11.5259 11.5259 11.5259 11.5259 11.5935 11.5935 11.5935 11.5935 k = 0.5000 0.0108-0.0000 ( 3522 PWs) bands (ev): -0.1502 -0.1502 -0.1501 -0.1501 2.3936 2.3936 2.3937 2.3937 5.0638 5.0638 5.0681 5.0681 6.0134 6.0134 6.0190 6.0190 6.5359 6.5359 6.5479 6.5479 7.2144 7.2144 7.2150 7.2150 7.7061 7.7061 7.7130 7.7130 8.3664 8.3664 8.3868 8.3868 8.4309 8.4309 8.4348 8.4348 8.5865 8.5865 8.6093 8.6093 11.4986 11.4986 11.5017 11.5017 11.5834 11.5834 11.6190 11.6190 k = 0.5000 0.0217-0.0000 ( 3522 PWs) bands (ev): -0.1469 -0.1469 -0.1467 -0.1467 2.3895 2.3895 2.3897 2.3897 5.0650 5.0650 5.0735 5.0735 5.9828 5.9828 5.9923 5.9923 6.5507 6.5507 6.5727 6.5727 7.2094 7.2094 7.2108 7.2108 7.7110 7.7110 7.7243 7.7243 8.3497 8.3497 8.3874 8.3874 8.4306 8.4306 8.4390 8.4390 8.5845 8.5845 8.6273 8.6273 11.4384 11.4384 11.4471 11.4471 11.5816 11.5816 11.6329 11.6329 k = 0.5000 0.0325-0.0000 ( 3526 PWs) bands (ev): -0.1413 -0.1413 -0.1410 -0.1410 2.3827 2.3827 2.3831 2.3831 5.0683 5.0683 5.0812 5.0812 5.9393 5.9393 5.9507 5.9507 6.5749 6.5749 6.6046 6.6046 7.2015 7.2015 7.2040 7.2040 7.7209 7.7209 7.7400 7.7400 8.3306 8.3306 8.3820 8.3820 8.4305 8.4305 8.4428 8.4428 8.5902 8.5902 8.6487 8.6487 11.3611 11.3611 11.3820 11.3820 11.5711 11.5711 11.6310 11.6310 k = 0.5000 0.0433-0.0000 ( 3530 PWs) bands (ev): -0.1336 -0.1336 -0.1331 -0.1331 2.3732 2.3732 2.3737 2.3737 5.0738 5.0738 5.0910 5.0910 5.8873 5.8873 5.8989 5.8989 6.6043 6.6043 6.6392 6.6392 7.1911 7.1911 7.1949 7.1949 7.7351 7.7351 7.7591 7.7591 8.3096 8.3096 8.3716 8.3716 8.4304 8.4304 8.4451 8.4451 8.6036 8.6036 8.6725 8.6725 11.2780 11.2780 11.3088 11.3088 11.5526 11.5526 11.6171 11.6171 k = 0.5000 0.0542-0.0000 ( 3528 PWs) bands (ev): -0.1236 -0.1236 -0.1231 -0.1231 2.3610 2.3610 2.3616 2.3616 5.0813 5.0813 5.1029 5.1029 5.8305 5.8305 5.8411 5.8411 6.6351 6.6351 6.6734 6.6734 7.1787 7.1787 7.1841 7.1841 7.7527 7.7527 7.7806 7.7806 8.2871 8.2871 8.3574 8.3574 8.4302 8.4302 8.4458 8.4458 8.6234 8.6234 8.6984 8.6984 11.1928 11.1928 11.2312 11.2312 11.5295 11.5295 11.5961 11.5961 k = 0.5000 0.0650-0.0000 ( 3534 PWs) bands (ev): -0.1114 -0.1114 -0.1108 -0.1108 2.3459 2.3459 2.3467 2.3467 5.0908 5.0908 5.1169 5.1169 5.7711 5.7711 5.7802 5.7802 6.6652 6.6652 6.7053 6.7053 7.1649 7.1649 7.1719 7.1719 7.7725 7.7725 7.8033 7.8033 8.2630 8.2630 8.3397 8.3397 8.4298 8.4298 8.4454 8.4454 8.6477 8.6477 8.7255 8.7255 11.1078 11.1078 11.1521 11.1521 11.5058 11.5058 11.5727 11.5727 k = 0.5000 0.0758-0.0000 ( 3536 PWs) bands (ev): -0.0971 -0.0971 -0.0963 -0.0963 2.3280 2.3280 2.3289 2.3289 5.1022 5.1022 5.1329 5.1329 5.7113 5.7113 5.7184 5.7184 6.6930 6.6930 6.7334 6.7334 7.1502 7.1502 7.1587 7.1587 7.7935 7.7935 7.8263 7.8263 8.2374 8.2374 8.3192 8.3192 8.4292 8.4292 8.4446 8.4446 8.6750 8.6750 8.7530 8.7530 11.0245 11.0245 11.0733 11.0733 11.4851 11.4851 11.5511 11.5511 k = 0.5000 0.0866-0.0000 ( 3532 PWs) bands (ev): -0.0806 -0.0806 -0.0797 -0.0797 2.3073 2.3073 2.3083 2.3083 5.1154 5.1154 5.1506 5.1506 5.6523 5.6523 5.6573 5.6573 6.7176 6.7176 6.7570 6.7570 7.1353 7.1353 7.1448 7.1448 7.8147 7.8147 7.8487 7.8487 8.2102 8.2102 8.2963 8.2963 8.4286 8.4286 8.4434 8.4434 8.7035 8.7035 8.7800 8.7800 10.9438 10.9438 10.9961 10.9961 11.4708 11.4708 11.5348 11.5348 k = 0.5000 0.0975-0.0000 ( 3540 PWs) bands (ev): -0.0621 -0.0621 -0.0611 -0.0611 2.2836 2.2836 2.2849 2.2849 5.1300 5.1300 5.1700 5.1700 5.5953 5.5953 5.5983 5.5983 6.7384 6.7384 6.7752 6.7752 7.1208 7.1208 7.1307 7.1307 7.8353 7.8353 7.8696 7.8696 8.1813 8.1813 8.2712 8.2712 8.4278 8.4278 8.4422 8.4422 8.7318 8.7318 8.8052 8.8052 10.8664 10.8664 10.9214 10.9214 11.4658 11.4658 11.5268 11.5268 k = 0.5000 0.1083-0.0000 ( 3538 PWs) bands (ev): -0.0415 -0.0415 -0.0404 -0.0404 2.2570 2.2570 2.2585 2.2585 5.1459 5.1459 5.1905 5.1905 5.5413 5.5413 5.5424 5.5424 6.7552 6.7552 6.7877 6.7877 7.1076 7.1076 7.1168 7.1168 7.8547 7.8547 7.8884 7.8884 8.1511 8.1511 8.2442 8.2442 8.4269 8.4269 8.4408 8.4408 8.7583 8.7583 8.8276 8.8276 10.7928 10.7928 10.8499 10.8499 11.4725 11.4725 11.5295 11.5295 k = 0.5000 0.1191-0.0000 ( 3538 PWs) bands (ev): -0.0189 -0.0189 -0.0176 -0.0176 2.2276 2.2276 2.2293 2.2293 5.1626 5.1626 5.2114 5.2114 5.4909 5.4909 5.4914 5.4914 6.7675 6.7675 6.7940 6.7940 7.0965 7.0965 7.1035 7.1035 7.8724 7.8724 7.9044 7.9044 8.1196 8.1196 8.2154 8.2154 8.4259 8.4259 8.4394 8.4394 8.7817 8.7817 8.8459 8.8459 10.7232 10.7232 10.7821 10.7821 11.4931 11.4931 11.5451 11.5451 k = 0.5000 0.1300-0.0000 ( 3546 PWs) bands (ev): 0.0056 0.0056 0.0070 0.0070 2.1954 2.1954 2.1972 2.1972 5.1793 5.1793 5.2315 5.2315 5.4457 5.4457 5.4466 5.4466 6.7751 6.7751 6.7938 6.7938 7.0879 7.0879 7.0914 7.0914 7.8881 7.8881 7.9167 7.9167 8.0878 8.0878 8.1851 8.1851 8.4247 8.4247 8.4380 8.4380 8.8008 8.8008 8.8595 8.8595 10.6580 10.6580 10.7182 10.7182 11.5287 11.5287 11.5751 11.5751 k = 0.5000 0.1408-0.0000 ( 3554 PWs) bands (ev): 0.0320 0.0320 0.0335 0.0335 2.1604 2.1604 2.1625 2.1625 5.1945 5.1945 5.2474 5.2474 5.4085 5.4085 5.4102 5.4102 6.7780 6.7780 6.7873 6.7873 7.0808 7.0808 7.0824 7.0824 7.9016 7.9016 7.9237 7.9237 8.0571 8.0571 8.1534 8.1534 8.4235 8.4235 8.4364 8.4364 8.8149 8.8149 8.8676 8.8676 10.5971 10.5971 10.6584 10.6584 11.5802 11.5802 11.6204 11.6204 k = 0.5000 0.1516-0.0000 ( 3558 PWs) bands (ev): 0.0601 0.0601 0.0617 0.0617 2.1229 2.1229 2.1252 2.1252 5.2060 5.2060 5.2529 5.2529 5.3796 5.3796 5.3906 5.3906 6.7750 6.7750 6.7760 6.7760 7.0723 7.0723 7.0799 7.0799 7.9126 7.9126 7.9220 7.9220 8.0314 8.0314 8.1210 8.1210 8.4222 8.4222 8.4347 8.4347 8.8237 8.8237 8.8704 8.8704 10.5406 10.5406 10.6029 10.6029 11.6479 11.6479 11.6814 11.6814 k = 0.5000 0.1625-0.0000 ( 3566 PWs) bands (ev): 0.0899 0.0899 0.0917 0.0917 2.0830 2.0830 2.0855 2.0855 5.2100 5.2100 5.2432 5.2432 5.3635 5.3635 5.3918 5.3918 6.7575 6.7575 6.7694 6.7694 7.0660 7.0660 7.0801 7.0801 7.9067 7.9067 7.9204 7.9204 8.0153 8.0153 8.0884 8.0884 8.4207 8.4207 8.4329 8.4329 8.8270 8.8270 8.8679 8.8679 10.4886 10.4886 10.5517 10.5517 11.7314 11.7314 11.7581 11.7581 k = 0.5000 0.1733-0.0000 ( 3566 PWs) bands (ev): 0.1211 0.1211 0.1231 0.1231 2.0409 2.0409 2.0437 2.0437 5.2045 5.2045 5.2229 5.2229 5.3622 5.3622 5.4091 5.4091 6.7360 6.7360 6.7585 6.7585 7.0621 7.0621 7.0825 7.0825 7.8778 7.8778 7.9238 7.9238 8.0094 8.0094 8.0572 8.0572 8.4193 8.4193 8.4311 8.4311 8.8255 8.8255 8.8610 8.8610 10.4409 10.4409 10.5047 10.5047 11.8299 11.8299 11.8500 11.8500 k = 0.5000 0.1841-0.0000 ( 3566 PWs) bands (ev): 0.1538 0.1538 0.1560 0.1560 1.9969 1.9969 2.0000 2.0000 5.1917 5.1917 5.1994 5.1994 5.3731 5.3731 5.4346 5.4346 6.7112 6.7112 6.7440 6.7440 7.0603 7.0603 7.0867 7.0867 7.8400 7.8400 7.9203 7.9203 8.0091 8.0091 8.0302 8.0302 8.4177 8.4177 8.4291 8.4291 8.8197 8.8197 8.8504 8.8504 10.3975 10.3975 10.4618 10.4618 11.9425 11.9425 11.9560 11.9560 k = 0.5000 0.1949-0.0000 ( 3566 PWs) bands (ev): 0.1877 0.1877 0.1900 0.1900 1.9514 1.9514 1.9547 1.9547 5.1760 5.1760 5.1767 5.1767 5.3915 5.3915 5.4643 5.4643 6.6842 6.6842 6.7265 6.7265 7.0604 7.0604 7.0924 7.0924 7.7973 7.7973 7.9060 7.9060 8.0108 8.0108 8.0115 8.0115 8.4161 8.4161 8.4271 8.4271 8.8105 8.8105 8.8370 8.8370 10.3582 10.3582 10.4229 10.4229 12.0680 12.0680 12.0751 12.0751 k = 0.5000 0.2058-0.0000 ( 3558 PWs) bands (ev): 0.2225 0.2225 0.2251 0.2251 1.9047 1.9047 1.9083 1.9083 5.1560 5.1560 5.1604 5.1604 5.4139 5.4139 5.4961 5.4961 6.6557 6.6557 6.7068 6.7068 7.0623 7.0623 7.0991 7.0991 7.7517 7.7517 7.8803 7.8803 8.0023 8.0023 8.0132 8.0132 8.4144 8.4144 8.4249 8.4249 8.7990 8.7990 8.8219 8.8219 10.3228 10.3228 10.3878 10.3878 12.2050 12.2050 12.2061 12.2061 k = 0.5000 0.2166-0.0000 ( 3562 PWs) bands (ev): 0.2581 0.2581 0.2609 0.2609 1.8573 1.8573 1.8611 1.8611 5.1381 5.1381 5.1462 5.1462 5.4385 5.4385 5.5288 5.5288 6.6265 6.6265 6.6858 6.6858 7.0655 7.0655 7.1068 7.1068 7.7042 7.7042 7.8466 7.8466 7.9992 7.9992 8.0153 8.0153 8.4126 8.4126 8.4227 8.4227 8.7859 8.7859 8.8058 8.8058 10.2911 10.2911 10.3564 10.3564 12.3475 12.3475 12.3522 12.3522 k = 0.5000 0.2274-0.0000 ( 3562 PWs) bands (ev): 0.2941 0.2941 0.2971 0.2971 1.8096 1.8096 1.8138 1.8138 5.1230 5.1230 5.1341 5.1341 5.4639 5.4639 5.5619 5.5619 6.5971 6.5971 6.6641 6.6641 7.0701 7.0701 7.1153 7.1153 7.6556 7.6556 7.8089 7.8089 7.9990 7.9990 8.0172 8.0172 8.4108 8.4108 8.4203 8.4203 8.7721 8.7721 8.7896 8.7896 10.2629 10.2629 10.3284 10.3284 12.4981 12.4981 12.5083 12.5083 k = 0.5000 0.2383-0.0000 ( 3560 PWs) bands (ev): 0.3301 0.3301 0.3334 0.3334 1.7623 1.7623 1.7668 1.7668 5.1106 5.1106 5.1242 5.1242 5.4894 5.4894 5.5945 5.5945 6.5682 6.5682 6.6424 6.6424 7.0760 7.0760 7.1247 7.1247 7.6065 7.6065 7.7694 7.7694 7.9999 7.9999 8.0186 8.0186 8.4090 8.4090 8.4180 8.4180 8.7583 8.7583 8.7738 8.7738 10.2381 10.2381 10.3037 10.3037 12.6565 12.6565 12.6722 12.6722 k = 0.5000 0.2491-0.0000 ( 3564 PWs) bands (ev): 0.3657 0.3657 0.3693 0.3693 1.7160 1.7160 1.7207 1.7207 5.1006 5.1006 5.1164 5.1164 5.5143 5.5143 5.6261 5.6261 6.5404 6.5404 6.6214 6.6214 7.0831 7.0831 7.1347 7.1347 7.5577 7.5577 7.7294 7.7294 8.0012 8.0012 8.0195 8.0195 8.4072 8.4072 8.4157 8.4157 8.7451 8.7451 8.7591 8.7591 10.2163 10.2163 10.2821 10.2821 12.8212 12.8212 12.8425 12.8425 k = 0.5000 0.2599-0.0000 ( 3560 PWs) bands (ev): 0.4003 0.4003 0.4042 0.4042 1.6714 1.6714 1.6765 1.6765 5.0928 5.0928 5.1105 5.1105 5.5380 5.5380 5.6560 5.6560 6.5142 6.5142 6.6016 6.6016 7.0917 7.0917 7.1454 7.1454 7.5096 7.5096 7.6901 7.6901 8.0025 8.0025 8.0202 8.0202 8.4056 8.4056 8.4135 8.4135 8.7328 8.7328 8.7456 8.7456 10.1976 10.1976 10.2635 10.2635 12.9910 12.9910 13.0180 13.0180 k = 0.5000 0.2708-0.0000 ( 3562 PWs) bands (ev): 0.4332 0.4332 0.4374 0.4374 1.6294 1.6294 1.6348 1.6348 5.0869 5.0869 5.1062 5.1062 5.5600 5.5600 5.6838 5.6838 6.4901 6.4901 6.5834 6.5834 7.1016 7.1016 7.1566 7.1566 7.4631 7.4631 7.6523 7.6523 8.0038 8.0038 8.0207 8.0207 8.4041 8.4041 8.4114 8.4114 8.7218 8.7218 8.7337 8.7337 10.1816 10.1816 10.2476 10.2476 13.1642 13.1642 13.1976 13.1976 k = 0.5000 0.2816-0.0000 ( 3558 PWs) bands (ev): 0.4636 0.4636 0.4681 0.4681 1.5909 1.5909 1.5967 1.5967 5.0825 5.0825 5.1033 5.1033 5.5797 5.5797 5.7086 5.7086 6.4687 6.4687 6.5674 6.5674 7.1132 7.1132 7.1680 7.1680 7.4186 7.4186 7.6171 7.6171 8.0049 8.0049 8.0209 8.0209 8.4027 8.4027 8.4095 8.4095 8.7124 8.7124 8.7235 8.7235 10.1684 10.1684 10.2344 10.2344 13.3391 13.3391 13.3798 13.3798 k = 0.5000 0.2924-0.0000 ( 3554 PWs) bands (ev): 0.4906 0.4906 0.4955 0.4955 1.5571 1.5571 1.5633 1.5633 5.0795 5.0795 5.1014 5.1014 5.5966 5.5966 5.7300 5.7300 6.4504 6.4504 6.5539 6.5539 7.1264 7.1264 7.1793 7.1793 7.3771 7.3771 7.5854 7.5854 8.0057 8.0057 8.0210 8.0210 8.4015 8.4015 8.4078 8.4078 8.7046 8.7046 8.7151 8.7151 10.1577 10.1577 10.2237 10.2237 13.5134 13.5134 13.5632 13.5632 k = 0.5000 0.3033-0.0000 ( 3552 PWs) bands (ev): 0.5132 0.5132 0.5183 0.5183 1.5291 1.5291 1.5356 1.5356 5.0774 5.0774 5.1002 5.1002 5.6103 5.6103 5.7473 5.7473 6.4356 6.4356 6.5431 6.5431 7.1411 7.1411 7.1897 7.1897 7.3393 7.3393 7.5584 7.5584 8.0064 8.0064 8.0210 8.0210 8.4005 8.4005 8.4065 8.4065 8.6984 8.6984 8.7086 8.7086 10.1496 10.1496 10.2155 10.2155 13.6834 13.6834 13.7461 13.7461 k = 0.5000 0.3141-0.0000 ( 3556 PWs) bands (ev): 0.5303 0.5303 0.5356 0.5356 1.5080 1.5080 1.5147 1.5147 5.0760 5.0760 5.0996 5.0996 5.6205 5.6205 5.7600 5.7600 6.4248 6.4248 6.5353 6.5353 7.1566 7.1566 7.1983 7.1983 7.3068 7.3068 7.5376 7.5376 8.0068 8.0068 8.0209 8.0209 8.3998 8.3998 8.4055 8.4055 8.6940 8.6940 8.7039 8.7039 10.1437 10.1437 10.2097 10.2097 13.8426 13.8426 13.9256 13.9256 k = 0.5000 0.3249-0.0000 ( 3568 PWs) bands (ev): 0.5409 0.5409 0.5464 0.5464 1.4949 1.4949 1.5018 1.5018 5.0753 5.0753 5.0993 5.0993 5.6267 5.6267 5.7679 5.7679 6.4181 6.4181 6.5305 6.5305 7.1704 7.1704 7.2041 7.2041 7.2825 7.2825 7.5244 7.5244 8.0070 8.0070 8.0208 8.0208 8.3993 8.3993 8.4047 8.4047 8.6913 8.6913 8.7011 8.7011 10.1403 10.1403 10.2063 10.2063 13.9739 13.9739 14.0953 14.0953 k = 0.5000 0.3357-0.0000 ( 3564 PWs) bands (ev): 0.5446 0.5446 0.5501 0.5501 1.4905 1.4905 1.4974 1.4974 5.0751 5.0751 5.0992 5.0992 5.6288 5.6288 5.7705 5.7705 6.4159 6.4159 6.5289 6.5289 7.1766 7.1766 7.2062 7.2062 7.2728 7.2728 7.5198 7.5198 8.0072 8.0072 8.0208 8.0208 8.3991 8.3991 8.4045 8.4045 8.6905 8.6905 8.7001 8.7001 10.1391 10.1391 10.2051 10.2051 14.0322 14.0322 14.2038 14.2038 k = 0.5000 0.3357-0.0000 ( 3564 PWs) bands (ev): 0.5446 0.5446 0.5501 0.5501 1.4905 1.4905 1.4974 1.4974 5.0751 5.0751 5.0992 5.0992 5.6288 5.6288 5.7705 5.7705 6.4159 6.4159 6.5289 6.5289 7.1766 7.1766 7.2062 7.2062 7.2728 7.2728 7.5198 7.5198 8.0072 8.0072 8.0208 8.0208 8.3991 8.3991 8.4045 8.4045 8.6905 8.6905 8.7001 8.7001 10.1391 10.1391 10.2051 10.2051 14.0322 14.0322 14.2038 14.2038 k = 0.4891 0.3357-0.0000 ( 3564 PWs) bands (ev): 0.5381 0.5381 0.5436 0.5436 1.4936 1.4936 1.5006 1.5006 5.0737 5.0737 5.0997 5.0997 5.6347 5.6347 5.7747 5.7747 6.4102 6.4102 6.5253 6.5253 7.1708 7.1708 7.1882 7.1882 7.2958 7.2958 7.5279 7.5279 8.0076 8.0076 8.0212 8.0212 8.4006 8.4006 8.4064 8.4064 8.6929 8.6929 8.7040 8.7040 10.1408 10.1408 10.2069 10.2069 14.0170 14.0170 14.1839 14.1839 k = 0.4783 0.3357-0.0000 ( 3568 PWs) bands (ev): 0.5190 0.5190 0.5245 0.5245 1.5027 1.5027 1.5096 1.5096 5.0700 5.0700 5.1014 5.1014 5.6520 5.6520 5.7870 5.7870 6.3936 6.3936 6.5145 6.5145 7.1557 7.1557 7.1601 7.1601 7.3387 7.3387 7.5496 7.5496 8.0087 8.0087 8.0223 8.0223 8.4048 8.4048 8.4118 8.4118 8.7006 8.7006 8.7160 8.7160 10.1459 10.1459 10.2122 10.2122 13.9769 13.9769 14.1347 14.1347 k = 0.4674 0.3357-0.0000 ( 3568 PWs) bands (ev): 0.4885 0.4885 0.4939 0.4939 1.5165 1.5165 1.5233 1.5233 5.0648 5.0648 5.1047 5.1047 5.6794 5.6794 5.8064 5.8064 6.3674 6.3674 6.4969 6.4969 7.1361 7.1361 7.1365 7.1365 7.3862 7.3862 7.5797 7.5797 8.0105 8.0105 8.0240 8.0240 8.4114 8.4114 8.4205 8.4205 8.7138 8.7138 8.7366 8.7366 10.1545 10.1545 10.2211 10.2211 13.9216 13.9216 14.0711 14.0711 k = 0.4565 0.3357-0.0000 ( 3568 PWs) bands (ev): 0.4482 0.4482 0.4534 0.4534 1.5335 1.5335 1.5402 1.5402 5.0594 5.0594 5.1101 5.1101 5.7153 5.7153 5.8315 5.8315 6.3339 6.3339 6.4732 6.4732 7.1177 7.1177 7.1186 7.1186 7.4343 7.4343 7.6133 7.6133 8.0128 8.0128 8.0262 8.0262 8.4199 8.4199 8.4320 8.4320 8.7336 8.7336 8.7665 8.7665 10.1665 10.1665 10.2337 10.2337 13.8579 13.8579 14.0006 14.0006 k = 0.4457 0.3357-0.0000 ( 3558 PWs) bands (ev): 0.3997 0.3997 0.4048 0.4048 1.5520 1.5520 1.5586 1.5586 5.0548 5.0548 5.1183 5.1183 5.7578 5.7578 5.8600 5.8600 6.2963 6.2963 6.4447 6.4447 7.1025 7.1025 7.1079 7.1079 7.4809 7.4809 7.6466 7.6466 8.0153 8.0153 8.0286 8.0286 8.4295 8.4295 8.4456 8.4456 8.7610 8.7610 8.8067 8.8067 10.1821 10.1821 10.2500 10.2500 13.7896 13.7896 13.9270 13.9270 k = 0.4348 0.3357-0.0000 ( 3558 PWs) bands (ev): 0.3447 0.3447 0.3496 0.3496 1.5703 1.5703 1.5767 1.5767 5.0517 5.0517 5.1296 5.1296 5.8053 5.8053 5.8887 5.8887 6.2591 6.2591 6.4131 6.4131 7.0922 7.0922 7.1033 7.1033 7.5248 7.5248 7.6777 7.6777 8.0178 8.0178 8.0311 8.0311 8.4397 8.4397 8.4604 8.4604 8.7970 8.7970 8.8575 8.8575 10.2013 10.2013 10.2700 10.2700 13.7190 13.7190 13.8519 13.8519 k = 0.4239 0.3357-0.0000 ( 3552 PWs) bands (ev): 0.2847 0.2847 0.2894 0.2894 1.5871 1.5871 1.5933 1.5933 5.0503 5.0503 5.1438 5.1438 5.8562 5.8562 5.9130 5.9130 6.2285 6.2285 6.3808 6.3808 7.0872 7.0872 7.1042 7.1042 7.5650 7.5650 7.7054 7.7054 8.0201 8.0201 8.0333 8.0333 8.4500 8.4500 8.4757 8.4757 8.8424 8.8424 8.9188 8.9188 10.2242 10.2242 10.2938 10.2938 13.6472 13.6472 13.7767 13.7767 k = 0.4130 0.3357-0.0000 ( 3556 PWs) bands (ev): 0.2208 0.2208 0.2254 0.2254 1.6014 1.6014 1.6074 1.6074 5.0503 5.0503 5.1602 5.1602 5.9087 5.9087 5.9267 5.9267 6.2122 6.2122 6.3507 6.3507 7.0875 7.0875 7.1100 7.1100 7.6012 7.6012 7.7294 7.7294 8.0220 8.0220 8.0352 8.0352 8.4603 8.4603 8.4908 8.4908 8.8976 8.8976 8.9903 8.9903 10.2508 10.2508 10.3215 10.3215 13.5753 13.5753 13.7020 13.7020 k = 0.4022 0.3357-0.0000 ( 3564 PWs) bands (ev): 0.1542 0.1542 0.1585 0.1585 1.6123 1.6123 1.6181 1.6181 5.0508 5.0508 5.1776 5.1776 5.9263 5.9263 5.9614 5.9614 6.2159 6.2159 6.3258 6.3258 7.0927 7.0927 7.1198 7.1198 7.6334 7.6334 7.7495 7.7495 8.0235 8.0235 8.0367 8.0367 8.4704 8.4704 8.5054 8.5054 8.9625 8.9625 9.0710 9.0710 10.2812 10.2812 10.3530 10.3530 13.5041 13.5041 13.6286 13.6286 k = 0.3913 0.3357-0.0000 ( 3560 PWs) bands (ev): 0.0855 0.0855 0.0896 0.0896 1.6195 1.6195 1.6249 1.6249 5.0507 5.0507 5.1934 5.1934 5.9157 5.9157 6.0124 6.0124 6.2385 6.2385 6.3097 6.3097 7.1023 7.1023 7.1333 7.1333 7.6618 7.6618 7.7663 7.7663 8.0245 8.0245 8.0379 8.0379 8.4807 8.4807 8.5197 8.5197 9.0363 9.0363 9.1599 9.1599 10.3154 10.3154 10.3884 10.3884 13.4341 13.4341 13.5571 13.5571 k = 0.3804 0.3357-0.0000 ( 3544 PWs) bands (ev): 0.0156 0.0156 0.0194 0.0194 1.6225 1.6225 1.6277 1.6277 5.0485 5.0485 5.2045 5.2045 5.9043 5.9043 6.0601 6.0601 6.2740 6.2740 6.3058 6.3058 7.1159 7.1159 7.1498 7.1498 7.6868 7.6868 7.7801 7.7801 8.0251 8.0251 8.0388 8.0388 8.4913 8.4913 8.5337 8.5337 9.1184 9.1184 9.2560 9.2560 10.3534 10.3534 10.4277 10.4277 13.3659 13.3659 13.4879 13.4879 k = 0.3696 0.3357-0.0000 ( 3540 PWs) bands (ev): -0.0551 -0.0551 -0.0514 -0.0514 1.6213 1.6213 1.6262 1.6262 5.0424 5.0424 5.2072 5.2072 5.9011 5.9011 6.1034 6.1034 6.3167 6.3167 6.3168 6.3168 7.1327 7.1327 7.1687 7.1687 7.7086 7.7086 7.7912 7.7912 8.0253 8.0253 8.0393 8.0393 8.5025 8.5025 8.5478 8.5478 9.2077 9.2077 9.3583 9.3583 10.3950 10.3950 10.4706 10.4706 13.3001 13.3001 13.4216 13.4216 k = 0.3587 0.3357-0.0000 ( 3542 PWs) bands (ev): -0.1261 -0.1261 -0.1226 -0.1226 1.6159 1.6159 1.6205 1.6205 5.0312 5.0312 5.1984 5.1984 5.9122 5.9122 6.1435 6.1435 6.3424 6.3424 6.3636 6.3636 7.1524 7.1524 7.1897 7.1897 7.7277 7.7277 7.8000 7.8000 8.0252 8.0252 8.0396 8.0396 8.5143 8.5143 8.5622 8.5622 9.3033 9.3033 9.4659 9.4659 10.4401 10.4401 10.5169 10.5169 13.2373 13.2373 13.3588 13.3588 k = 0.3478 0.3357-0.0000 ( 3542 PWs) bands (ev): -0.1969 -0.1969 -0.1936 -0.1936 1.6066 1.6066 1.6110 1.6110 5.0138 5.0138 5.1771 5.1771 5.9401 5.9401 6.1837 6.1837 6.3802 6.3802 6.4125 6.4125 7.1745 7.1745 7.2123 7.2123 7.7443 7.7443 7.8067 7.8067 8.0250 8.0250 8.0398 8.0398 8.5272 8.5272 8.5773 8.5773 9.4046 9.4046 9.5781 9.5781 10.4883 10.4883 10.5665 10.5665 13.1780 13.1780 13.3000 13.3000 k = 0.3370 0.3357-0.0000 ( 3546 PWs) bands (ev): -0.2672 -0.2672 -0.2641 -0.2641 1.5936 1.5936 1.5977 1.5977 4.9899 4.9899 5.1441 5.1441 5.9844 5.9844 6.2274 6.2274 6.4265 6.4265 6.4627 6.4627 7.1987 7.1987 7.2361 7.2361 7.7587 7.7587 7.8117 7.8117 8.0249 8.0249 8.0401 8.0401 8.5414 8.5414 8.5933 8.5933 9.5108 9.5108 9.6944 9.6944 10.5393 10.5393 10.6188 10.6188 13.1228 13.1228 13.2457 13.2457 k = 0.3261 0.3357-0.0000 ( 3540 PWs) bands (ev): -0.3368 -0.3368 -0.3338 -0.3338 1.5773 1.5773 1.5811 1.5811 4.9599 4.9599 5.1019 5.1019 6.0424 6.0424 6.2763 6.2763 6.4787 6.4787 6.5137 6.5137 7.2244 7.2244 7.2608 7.2608 7.7710 7.7710 7.8151 7.8151 8.0250 8.0250 8.0406 8.0406 8.5572 8.5572 8.6107 8.6107 9.6213 9.6213 9.8144 9.8144 10.5925 10.5925 10.6734 10.6734 13.0723 13.0723 13.1967 13.1967 k = 0.3152 0.3357-0.0000 ( 3544 PWs) bands (ev): -0.4053 -0.4053 -0.4026 -0.4026 1.5580 1.5580 1.5616 1.5616 4.9243 4.9243 5.0529 5.0529 6.1107 6.1107 6.3299 6.3299 6.5358 6.5358 6.5657 6.5657 7.2514 7.2514 7.2859 7.2859 7.7813 7.7813 7.8171 7.8171 8.0256 8.0256 8.0413 8.0413 8.5750 8.5750 8.6297 8.6297 9.7357 9.7357 9.9377 9.9377 10.6474 10.6474 10.7297 10.7297 13.0273 13.0273 13.1536 13.1536 k = 0.3043 0.3357-0.0000 ( 3528 PWs) bands (ev): -0.4727 -0.4727 -0.4701 -0.4701 1.5362 1.5362 1.5396 1.5396 4.8842 4.8842 4.9995 4.9995 6.1859 6.1859 6.3865 6.3865 6.5980 6.5980 6.6192 6.6192 7.2792 7.2792 7.3114 7.3114 7.7897 7.7897 7.8178 7.8178 8.0267 8.0267 8.0424 8.0424 8.5953 8.5953 8.6508 8.6508 9.8534 9.8534 10.0640 10.0640 10.7031 10.7031 10.7873 10.7873 12.9885 12.9885 13.1171 13.1171 k = 0.2935 0.3357-0.0000 ( 3524 PWs) bands (ev): -0.5387 -0.5387 -0.5362 -0.5362 1.5122 1.5122 1.5154 1.5154 4.8405 4.8405 4.9433 4.9433 6.2647 6.2647 6.4435 6.4435 6.6658 6.6658 6.6748 6.6748 7.3077 7.3077 7.3371 7.3371 7.7961 7.7961 7.8173 7.8173 8.0284 8.0284 8.0439 8.0439 8.6182 8.6182 8.6742 8.6742 9.9738 9.9738 10.1929 10.1929 10.7589 10.7589 10.8454 10.8454 12.9565 12.9565 13.0878 13.0878 k = 0.2826 0.3357-0.0000 ( 3522 PWs) bands (ev): -0.6031 -0.6031 -0.6008 -0.6008 1.4865 1.4865 1.4895 1.4895 4.7943 4.7943 4.8858 4.8858 6.3438 6.3438 6.4986 6.4986 6.7333 6.7333 6.7394 6.7394 7.3368 7.3368 7.3630 7.3630 7.8007 7.8007 7.8157 7.8157 8.0309 8.0309 8.0458 8.0458 8.6444 8.6444 8.7003 8.7003 10.0962 10.0962 10.3240 10.3240 10.8143 10.8143 10.9039 10.9039 12.9322 12.9322 13.0665 13.0665 k = 0.2717 0.3357-0.0000 ( 3526 PWs) bands (ev): -0.6658 -0.6658 -0.6636 -0.6636 1.4593 1.4593 1.4622 1.4622 4.7463 4.7463 4.8277 4.8277 6.4204 6.4204 6.5505 6.5505 6.7956 6.7956 6.8179 6.8179 7.3666 7.3666 7.3895 7.3895 7.8034 7.8034 7.8132 7.8132 8.0341 8.0341 8.0481 8.0481 8.6744 8.6744 8.7297 8.7297 10.2195 10.2195 10.4564 10.4564 10.8689 10.8689 10.9625 10.9625 12.9161 12.9161 13.0537 13.0537 k = 0.2609 0.3357-0.0000 ( 3526 PWs) bands (ev): -0.7267 -0.7267 -0.7247 -0.7247 1.4312 1.4312 1.4338 1.4338 4.6974 4.6974 4.7699 4.7699 6.4921 6.4921 6.5987 6.5987 6.8618 6.8618 6.8993 6.8993 7.3974 7.3974 7.4169 7.4169 7.8045 7.8045 7.8100 7.8100 8.0380 8.0380 8.0509 8.0509 8.7091 8.7091 8.7629 8.7629 10.3422 10.3422 10.5882 10.5882 10.9237 10.9237 11.0219 11.0219 12.9090 12.9090 13.0499 13.0499 k = 0.2500 0.3357-0.0000 ( 3522 PWs) bands (ev): -0.7857 -0.7857 -0.7838 -0.7838 1.4023 1.4023 1.4048 1.4048 4.6482 4.6482 4.7128 4.7128 6.5574 6.5574 6.6437 6.6437 6.9308 6.9308 6.9806 6.9806 7.4299 7.4299 7.4459 7.4459 7.8042 7.8042 7.8062 7.8062 8.0426 8.0426 8.0541 8.0541 8.7490 8.7490 8.8007 8.8007 10.4619 10.4619 10.7147 10.7147 10.9824 10.9824 11.0835 11.0835 12.9109 12.9109 13.0553 13.0553 k = 0.2391 0.3357-0.0000 ( 3526 PWs) bands (ev): -0.8426 -0.8426 -0.8409 -0.8409 1.3730 1.3730 1.3753 1.3753 4.5991 4.5991 4.6569 4.6569 6.6163 6.6163 6.6858 6.6858 7.0004 7.0004 7.0585 7.0585 7.4650 7.4650 7.4776 7.4776 7.8021 7.8021 7.8026 7.8026 8.0475 8.0475 8.0576 8.0576 8.7952 8.7952 8.8437 8.8437 10.5752 10.5752 10.8255 10.8255 11.0546 11.0546 11.1499 11.1499 12.9222 12.9222 13.0701 13.0701 k = 0.2283 0.3357-0.0000 ( 3530 PWs) bands (ev): -0.8975 -0.8975 -0.8959 -0.8959 1.3435 1.3435 1.3457 1.3457 4.5507 4.5507 4.6024 4.6024 6.6691 6.6691 6.7255 6.7255 7.0673 7.0673 7.1294 7.1294 7.5034 7.5034 7.5128 7.5128 7.7980 7.7980 7.8001 7.8001 8.0528 8.0528 8.0615 8.0615 8.8485 8.8485 8.8928 8.8928 10.6777 10.6777 10.9067 10.9067 11.1539 11.1539 11.2251 11.2251 12.9425 12.9425 13.0938 13.0938 k = 0.2174 0.3357-0.0000 ( 3528 PWs) bands (ev): -0.9502 -0.9502 -0.9487 -0.9487 1.3142 1.3142 1.3163 1.3163 4.5032 4.5032 4.5496 4.5496 6.7170 6.7170 6.7634 6.7634 7.1282 7.1282 7.1906 7.1906 7.5455 7.5455 7.5521 7.5521 7.7946 7.7946 7.7972 7.7972 8.0584 8.0584 8.0656 8.0656 8.9099 8.9099 8.9488 8.9488 10.7649 10.7649 10.9580 10.9580 11.2805 11.2805 11.3134 11.3134 12.9711 12.9711 13.1261 13.1261 k = 0.2065 0.3357-0.0000 ( 3528 PWs) bands (ev): -1.0006 -1.0006 -0.9992 -0.9992 1.2852 1.2852 1.2871 1.2871 4.4570 4.4570 4.4987 4.4987 6.7609 6.7609 6.7996 6.7996 7.1806 7.1806 7.2406 7.2406 7.5898 7.5898 7.5949 7.5949 7.7929 7.7929 7.7948 7.7948 8.0641 8.0641 8.0700 8.0700 8.9799 8.9799 9.0125 9.0125 10.8343 10.8343 10.9902 10.9902 11.4173 11.4173 11.4236 11.4236 13.0072 13.0072 13.1660 13.1660 k = 0.1957 0.3357-0.0000 ( 3524 PWs) bands (ev): -1.0488 -1.0488 -1.0474 -1.0474 1.2567 1.2567 1.2586 1.2586 4.4123 4.4123 4.4498 4.4498 6.8017 6.8017 6.8345 6.8345 7.2236 7.2236 7.2799 7.2799 7.6323 7.6323 7.6386 7.6386 7.7944 7.7944 7.7951 7.7951 8.0699 8.0699 8.0747 8.0747 9.0592 9.0592 9.0845 9.0845 10.8866 10.8866 11.0115 11.0115 11.5363 11.5363 11.5756 11.5756 13.0496 13.0496 13.2126 13.2126 k = 0.1848 0.3357-0.0000 ( 3542 PWs) bands (ev): -1.0945 -1.0945 -1.0933 -1.0933 1.2290 1.2290 1.2307 1.2307 4.3694 4.3694 4.4030 4.4030 6.8398 6.8398 6.8681 6.8681 7.2576 7.2576 7.3099 7.3099 7.6667 7.6667 7.6776 7.6776 7.7997 7.7997 7.8051 7.8051 8.0756 8.0756 8.0793 8.0793 9.1474 9.1474 9.1647 9.1647 10.9249 10.9249 11.0259 11.0259 11.6676 11.6676 11.7329 11.7329 13.0969 13.0969 13.2647 13.2647 k = 0.1739 0.3357-0.0000 ( 3546 PWs) bands (ev): -1.1379 -1.1379 -1.1368 -1.1368 1.2022 1.2022 1.2038 1.2038 4.3283 4.3283 4.3585 4.3585 6.8760 6.8760 6.9007 6.9007 7.2842 7.2842 7.3328 7.3328 7.6873 7.6873 7.7036 7.7036 7.8166 7.8166 7.8261 7.8261 8.0813 8.0813 8.0841 8.0841 9.2442 9.2442 9.2532 9.2532 10.9533 10.9533 11.0361 11.0361 11.8076 11.8076 11.8936 11.8936 13.1476 13.1476 13.3212 13.3212 k = 0.1630 0.3357-0.0000 ( 3546 PWs) bands (ev): -1.1788 -1.1788 -1.1778 -1.1778 1.1764 1.1764 1.1779 1.1779 4.2892 4.2892 4.3164 4.3164 6.9105 6.9105 6.9322 6.9322 7.3048 7.3048 7.3501 7.3501 7.6948 7.6948 7.7135 7.7135 7.8461 7.8461 7.8560 7.8560 8.0869 8.0869 8.0891 8.0891 9.3483 9.3483 9.3489 9.3489 10.9753 10.9753 11.0443 11.0443 11.9533 11.9533 12.0562 12.0562 13.2001 13.2001 13.3809 13.3809 k = 0.1522 0.3357-0.0000 ( 3538 PWs) bands (ev): -1.2173 -1.2173 -1.2163 -1.2163 1.1517 1.1517 1.1531 1.1531 4.2523 4.2523 4.2767 4.2767 6.9435 6.9435 6.9629 6.9629 7.3209 7.3209 7.3633 7.3633 7.6941 7.6941 7.7131 7.7131 7.8813 7.8813 7.8888 7.8888 8.0924 8.0924 8.0941 8.0941 9.4506 9.4506 9.4580 9.4580 10.9941 10.9941 11.0523 11.0523 12.1018 12.1018 12.2198 12.2198 13.2531 13.2531 13.4428 13.4428 k = 0.1413 0.3357-0.0000 ( 3550 PWs) bands (ev): -1.2532 -1.2532 -1.2523 -1.2523 1.1284 1.1284 1.1296 1.1296 4.2176 4.2176 4.2394 4.2394 6.9751 6.9751 6.9925 6.9925 7.3334 7.3334 7.3732 7.3732 7.6891 7.6891 7.7076 7.7076 7.9159 7.9159 7.9203 7.9203 8.0978 8.0978 8.0990 8.0990 9.5563 9.5563 9.5709 9.5709 11.0124 11.0124 11.0620 11.0620 12.2509 12.2509 12.3831 12.3831 13.3051 13.3051 13.5060 13.5060 k = 0.1304 0.3357-0.0000 ( 3550 PWs) bands (ev): -1.2866 -1.2866 -1.2858 -1.2858 1.1064 1.1064 1.1075 1.1075 4.1852 4.1852 4.2047 4.2047 7.0055 7.0055 7.0212 7.0212 7.3433 7.3433 7.3807 7.3807 7.6817 7.6817 7.6997 7.6997 7.9475 7.9475 7.9490 7.9490 8.1031 8.1031 8.1039 8.1039 9.6634 9.6634 9.6844 9.6844 11.0327 11.0327 11.0755 11.0755 12.3985 12.3985 12.5449 12.5449 13.3551 13.3551 13.5699 13.5699 k = 0.1196 0.3357-0.0000 ( 3546 PWs) bands (ev): -1.3173 -1.3173 -1.3166 -1.3166 1.0858 1.0858 1.0869 1.0869 4.1553 4.1553 4.1726 4.1726 7.0347 7.0347 7.0488 7.0488 7.3512 7.3512 7.3862 7.3862 7.6730 7.6730 7.6903 7.6903 7.9743 7.9743 7.9752 7.9752 8.1083 8.1083 8.1088 8.1088 9.7692 9.7692 9.7953 9.7953 11.0573 11.0573 11.0949 11.0949 12.5423 12.5423 12.7035 12.7035 13.4019 13.4019 13.6339 13.6339 k = 0.1087 0.3357-0.0000 ( 3554 PWs) bands (ev): -1.3455 -1.3455 -1.3449 -1.3449 1.0669 1.0669 1.0678 1.0678 4.1278 4.1278 4.1432 4.1432 7.0625 7.0625 7.0752 7.0752 7.3575 7.3575 7.3901 7.3901 7.6634 7.6634 7.6801 7.6801 7.9961 7.9961 7.9988 7.9988 8.1132 8.1132 8.1134 8.1134 9.8706 9.8706 9.9002 9.9002 11.0885 11.0885 11.1221 11.1221 12.6800 12.6800 12.8569 12.8569 13.4447 13.4447 13.6977 13.6977 k = 0.0978 0.3357-0.0000 ( 3554 PWs) bands (ev): -1.3711 -1.3711 -1.3705 -1.3705 1.0495 1.0495 1.0504 1.0504 4.1028 4.1028 4.1164 4.1164 7.0890 7.0890 7.1004 7.1004 7.3626 7.3626 7.3928 7.3928 7.6534 7.6534 7.6693 7.6693 8.0146 8.0146 8.0185 8.0185 8.1179 8.1179 8.1181 8.1181 9.9643 9.9643 9.9959 9.9959 11.1280 11.1280 11.1590 11.1590 12.8094 12.8094 13.0025 13.0025 13.4828 13.4828 13.7606 13.7606 k = 0.0870 0.3357-0.0000 ( 3558 PWs) bands (ev): -1.3940 -1.3940 -1.3935 -1.3935 1.0339 1.0339 1.0346 1.0346 4.0805 4.0805 4.0922 4.0922 7.1140 7.1140 7.1241 7.1241 7.3667 7.3667 7.3944 7.3944 7.6432 7.6432 7.6582 7.6582 8.0301 8.0301 8.0347 8.0347 8.1221 8.1221 8.1227 8.1227 10.0478 10.0478 10.0796 10.0796 11.1769 11.1769 11.2064 11.2064 12.9280 12.9280 13.1365 13.1365 13.5163 13.5163 13.8215 13.8215 k = 0.0761 0.3357-0.0000 ( 3554 PWs) bands (ev): -1.4142 -1.4142 -1.4138 -1.4138 1.0199 1.0199 1.0206 1.0206 4.0607 4.0607 4.0708 4.0708 7.1373 7.1373 7.1462 7.1462 7.3702 7.3702 7.3953 7.3953 7.6331 7.6331 7.6472 7.6472 8.0432 8.0432 8.0478 8.0478 8.1261 8.1261 8.1270 8.1270 10.1191 10.1191 10.1496 10.1496 11.2352 11.2352 11.2641 11.2641 13.0336 13.0336 13.2536 13.2536 13.5463 13.5463 13.8775 13.8775 k = 0.0652 0.3357-0.0000 ( 3552 PWs) bands (ev): -1.4318 -1.4318 -1.4314 -1.4314 1.0078 1.0078 1.0083 1.0083 4.0436 4.0436 4.0522 4.0522 7.1587 7.1587 7.1663 7.1663 7.3731 7.3731 7.3954 7.3954 7.6235 7.6235 7.6364 7.6364 8.0538 8.0538 8.0583 8.0583 8.1298 8.1298 8.1310 8.1310 10.1777 10.1777 10.2053 10.2053 11.3012 11.3012 11.3296 11.3296 13.1246 13.1246 13.3455 13.3455 13.5765 13.5765 13.9216 13.9216 k = 0.0543 0.3357-0.0000 ( 3556 PWs) bands (ev): -1.4467 -1.4467 -1.4464 -1.4464 0.9974 0.9974 0.9979 0.9979 4.0292 4.0292 4.0362 4.0362 7.1779 7.1779 7.1842 7.1842 7.3756 7.3756 7.3950 7.3950 7.6146 7.6146 7.6261 7.6261 8.0624 8.0624 8.0663 8.0663 8.1330 8.1330 8.1344 8.1344 10.2240 10.2240 10.2478 10.2478 11.3715 11.3715 11.3990 11.3990 13.1999 13.1999 13.4038 13.4038 13.6127 13.6127 13.9417 13.9417 k = 0.0435 0.3357-0.0000 ( 3556 PWs) bands (ev): -1.4589 -1.4589 -1.4586 -1.4586 0.9889 0.9889 0.9893 0.9893 4.0175 4.0175 4.0231 4.0231 7.1945 7.1945 7.1995 7.1995 7.3779 7.3779 7.3940 7.3940 7.6069 7.6069 7.6166 7.6166 8.0693 8.0693 8.0725 8.0725 8.1358 8.1358 8.1372 8.1372 10.2592 10.2592 10.2786 10.2786 11.4414 11.4414 11.4669 11.4669 13.2598 13.2598 13.4281 13.4281 13.6549 13.6549 13.9313 13.9313 k = 0.0326 0.3357-0.0000 ( 3556 PWs) bands (ev): -1.4684 -1.4684 -1.4682 -1.4682 0.9823 0.9823 0.9826 0.9826 4.0085 4.0085 4.0127 4.0127 7.2082 7.2082 7.2120 7.2120 7.3801 7.3801 7.3926 7.3926 7.6006 7.6006 7.6084 7.6084 8.0745 8.0745 8.0769 8.0769 8.1382 8.1382 8.1394 8.1394 10.2850 10.2850 10.2997 10.2997 11.5056 11.5056 11.5273 11.5273 13.3056 13.3056 13.4295 13.4295 13.6964 13.6964 13.9018 13.9018 k = 0.0217 0.3357-0.0000 ( 3548 PWs) bands (ev): -1.4751 -1.4751 -1.4750 -1.4750 0.9776 0.9776 0.9778 0.9778 4.0023 4.0023 4.0050 4.0050 7.2186 7.2186 7.2211 7.2211 7.3823 7.3823 7.3909 7.3909 7.5963 7.5963 7.6016 7.6016 8.0782 8.0782 8.0799 8.0799 8.1400 8.1400 8.1409 8.1409 10.3030 10.3030 10.3128 10.3128 11.5583 11.5583 11.5742 11.5742 13.3396 13.3396 13.4190 13.4190 13.7332 13.7332 13.8663 13.8663 k = 0.0109 0.3357-0.0000 ( 3544 PWs) bands (ev): -1.4792 -1.4792 -1.4791 -1.4791 0.9748 0.9748 0.9749 0.9749 3.9988 3.9988 4.0002 4.0002 7.2253 7.2253 7.2265 7.2265 7.3845 7.3845 7.3889 7.3889 7.5941 7.5941 7.5969 7.5969 8.0806 8.0806 8.0814 8.0814 8.1412 8.1412 8.1416 8.1416 10.3142 10.3142 10.3191 10.3191 11.5943 11.5943 11.6028 11.6028 13.3651 13.3651 13.4033 13.4033 13.7662 13.7662 13.8311 13.8311 k = 0.0000 0.3357-0.0000 ( 3544 PWs) bands (ev): -1.4805 -1.4805 -1.4805 -1.4805 0.9739 0.9739 0.9739 0.9739 3.9981 3.9981 3.9981 3.9981 7.2279 7.2279 7.2279 7.2279 7.3868 7.3868 7.3868 7.3868 7.5943 7.5943 7.5943 7.5943 8.0817 8.0817 8.0817 8.0817 8.1417 8.1417 8.1417 8.1417 10.3195 10.3195 10.3195 10.3195 11.6097 11.6097 11.6097 11.6097 13.3855 13.3855 13.3855 13.3855 13.7981 13.7981 13.7981 13.7981 k = 0.0000 0.3357-0.0000 ( 3544 PWs) bands (ev): -1.4805 -1.4805 -1.4805 -1.4805 0.9739 0.9739 0.9739 0.9739 3.9981 3.9981 3.9981 3.9981 7.2279 7.2279 7.2279 7.2279 7.3868 7.3868 7.3868 7.3868 7.5943 7.5943 7.5943 7.5943 8.0817 8.0817 8.0817 8.0817 8.1417 8.1417 8.1417 8.1417 10.3195 10.3195 10.3195 10.3195 11.6097 11.6097 11.6097 11.6097 13.3855 13.3855 13.3855 13.3855 13.7981 13.7981 13.7981 13.7981 k = 0.0000 0.3249-0.0000 ( 3536 PWs) bands (ev): -1.5698 -1.5698 -1.3885 -1.3885 0.9682 0.9682 0.9766 0.9766 3.9921 3.9921 4.0119 4.0119 7.2250 7.2250 7.2313 7.2313 7.3735 7.3735 7.3964 7.3964 7.5620 7.5620 7.6243 7.6243 8.0801 8.0801 8.0833 8.0833 8.1382 8.1382 8.1451 8.1451 10.1650 10.1650 10.4730 10.4730 11.4990 11.4990 11.7225 11.7225 13.3617 13.3617 13.3932 13.3932 13.7341 13.7341 13.8654 13.8654 k = 0.0000 0.3141-0.0000 ( 3544 PWs) bands (ev): -1.6563 -1.6563 -1.2937 -1.2937 0.9595 0.9595 0.9764 0.9764 3.9938 3.9938 4.0335 4.0335 7.2222 7.2222 7.2348 7.2348 7.3577 7.3577 7.3988 7.3988 7.5305 7.5305 7.6508 7.6508 8.0784 8.0784 8.0847 8.0847 8.1346 8.1346 8.1481 8.1481 10.0120 10.0120 10.6224 10.6224 11.3906 11.3906 11.8371 11.8371 13.3199 13.3199 13.3835 13.3835 13.6860 13.6860 13.9273 13.9273 k = 0.0000 0.3033-0.0000 ( 3542 PWs) bands (ev): -1.7400 -1.7400 -1.1963 -1.1963 0.9481 0.9481 0.9733 0.9733 4.0029 4.0029 4.0628 4.0628 7.2197 7.2197 7.2387 7.2387 7.3390 7.3390 7.3864 7.3864 7.5076 7.5076 7.6741 7.6741 8.0769 8.0769 8.0858 8.0858 8.1311 8.1311 8.1508 8.1508 9.8632 9.8632 10.7641 10.7641 11.2848 11.2848 11.9531 11.9531 13.2525 13.2525 13.3618 13.3618 13.6622 13.6622 13.9795 13.9795 k = 0.0000 0.2924-0.0000 ( 3548 PWs) bands (ev): -1.8209 -1.8209 -1.0962 -1.0962 0.9341 0.9341 0.9674 0.9674 4.0194 4.0194 4.0997 4.0997 7.2174 7.2174 7.2426 7.2426 7.3125 7.3125 7.3571 7.3571 7.4996 7.4996 7.6942 7.6942 8.0755 8.0755 8.0864 8.0864 8.1278 8.1278 8.1531 8.1531 9.7207 9.7207 10.8936 10.8936 11.1825 11.1825 12.0699 12.0699 13.1581 13.1581 13.3388 13.3388 13.6585 13.6585 14.0204 14.0204 k = 0.0000 0.2816-0.0000 ( 3556 PWs) bands (ev): -1.8990 -1.8990 -0.9936 -0.9936 0.9177 0.9177 0.9590 0.9590 4.0429 4.0429 4.1439 4.1439 7.2147 7.2147 7.2450 7.2450 7.2666 7.2666 7.3279 7.3279 7.5024 7.5024 7.7116 7.7116 8.0741 8.0741 8.0862 8.0862 8.1251 8.1251 8.1549 8.1549 9.5865 9.5865 10.9988 10.9988 11.0916 11.0916 12.1862 12.1862 13.0443 13.0443 13.3207 13.3207 13.6658 13.6658 14.0510 14.0510 k = 0.0000 0.2708-0.0000 ( 3556 PWs) bands (ev): -1.9742 -1.9742 -0.8884 -0.8884 0.8992 0.8992 0.9483 0.9483 4.0731 4.0731 4.1954 4.1954 7.1858 7.1858 7.2183 7.2183 7.2529 7.2529 7.3065 7.3065 7.5100 7.5100 7.7265 7.7265 8.0728 8.0728 8.0854 8.0854 8.1232 8.1232 8.1563 8.1563 9.4621 9.4621 10.9691 10.9691 11.1185 11.1185 12.2999 12.2999 12.9194 12.9194 13.3108 13.3108 13.6777 13.6777 14.0739 14.0739 k = 0.0000 0.2599-0.0000 ( 3556 PWs) bands (ev): -2.0466 -2.0466 -0.7807 -0.7807 0.8788 0.8788 0.9354 0.9354 4.1095 4.1095 4.2536 4.2536 7.0992 7.0992 7.2151 7.2151 7.2567 7.2567 7.2884 7.2884 7.5194 7.5194 7.7392 7.7392 8.0713 8.0713 8.0839 8.0839 8.1221 8.1221 8.1574 8.1574 9.3488 9.3488 10.8769 10.8769 11.1867 11.1867 12.4050 12.4050 12.7923 12.7923 13.3119 13.3119 13.6909 13.6909 14.0929 14.0929 k = 0.0000 0.2491-0.0000 ( 3552 PWs) bands (ev): -2.1160 -2.1160 -0.6707 -0.6707 0.8571 0.8571 0.9207 0.9207 4.1518 4.1518 4.3184 4.3184 6.9968 6.9968 7.2141 7.2141 7.2587 7.2587 7.2737 7.2737 7.5293 7.5293 7.7499 7.7499 8.0691 8.0691 8.0824 8.0824 8.1217 8.1217 8.1580 8.1580 9.2473 9.2473 10.7839 10.7839 11.2310 11.2310 12.4762 12.4762 12.6890 12.6890 13.3263 13.3263 13.7027 13.7027 14.1128 14.1128 k = 0.0000 0.2383-0.0000 ( 3548 PWs) bands (ev): -2.1826 -2.1826 -0.5584 -0.5584 0.8342 0.8342 0.9045 0.9045 4.1994 4.1994 4.3895 4.3895 6.8817 6.8817 7.2135 7.2135 7.2495 7.2495 7.2712 7.2712 7.5393 7.5393 7.7587 7.7587 8.0659 8.0659 8.0814 8.0814 8.1215 8.1215 8.1584 8.1584 9.1576 9.1576 10.6930 10.6930 11.2466 11.2466 12.4284 12.4284 12.6942 12.6942 13.3550 13.3550 13.7109 13.7109 14.1390 14.1390 k = 0.0000 0.2274-0.0000 ( 3546 PWs) bands (ev): -2.2463 -2.2463 -0.4440 -0.4440 0.8106 0.8106 0.8871 0.8871 4.2519 4.2519 4.4663 4.4663 6.7552 6.7552 7.2130 7.2130 7.2343 7.2343 7.2753 7.2753 7.5491 7.5491 7.7659 7.7659 8.0618 8.0618 8.0813 8.0813 8.1213 8.1213 8.1587 8.1587 9.0797 9.0797 10.6047 10.6047 11.2333 11.2333 12.3005 12.3005 12.7678 12.7678 13.3980 13.3980 13.7134 13.7134 14.1744 14.1744 k = 0.0000 0.2166-0.0000 ( 3554 PWs) bands (ev): -2.3070 -2.3070 -0.3276 -0.3276 0.7866 0.7866 0.8687 0.8687 4.3088 4.3088 4.5486 4.5486 6.6187 6.6187 7.2107 7.2107 7.2206 7.2206 7.2803 7.2803 7.5586 7.5586 7.7713 7.7713 8.0568 8.0568 8.0819 8.0819 8.1206 8.1206 8.1589 8.1589 9.0127 9.0127 10.5190 10.5190 11.1925 11.1925 12.1566 12.1566 12.8445 12.8445 13.4541 13.4541 13.7089 13.7089 14.2051 14.2051 k = 0.0000 0.2058-0.0000 ( 3550 PWs) bands (ev): -2.3649 -2.3649 -0.2096 -0.2096 0.7628 0.7628 0.8496 0.8496 4.3696 4.3696 4.6360 4.6360 6.4736 6.4736 7.1994 7.1994 7.2164 7.2164 7.2857 7.2857 7.5677 7.5677 7.7753 7.7753 8.0515 8.0515 8.0830 8.0830 8.1193 8.1193 8.1594 8.1594 8.9556 8.9556 10.4362 10.4362 11.1275 11.1275 12.0087 12.0087 12.9115 12.9115 13.5220 13.5220 13.6979 13.6979 14.2234 14.2234 k = 0.0000 0.1949-0.0000 ( 3546 PWs) bands (ev): -2.4198 -2.4198 -0.0903 -0.0903 0.7398 0.7398 0.8301 0.8301 4.4335 4.4335 4.7280 4.7280 6.3214 6.3214 7.1843 7.1843 7.2165 7.2165 7.2912 7.2912 7.5764 7.5764 7.7777 7.7777 8.0460 8.0460 8.0845 8.0845 8.1169 8.1169 8.1603 8.1603 8.9075 8.9075 10.3564 10.3564 11.0422 11.0422 11.8602 11.8602 12.9653 12.9653 13.6001 13.6001 13.6823 13.6823 14.2400 14.2400 k = 0.0000 0.1841-0.0000 ( 3536 PWs) bands (ev): -2.4718 -2.4718 0.0296 0.0296 0.7183 0.7183 0.8104 0.8104 4.5000 4.5000 4.8243 4.8243 6.1637 6.1637 7.1692 7.1692 7.2173 7.2173 7.2967 7.2967 7.5849 7.5849 7.7785 7.7785 8.0404 8.0404 8.0859 8.0859 8.1138 8.1138 8.1616 8.1616 8.8671 8.8671 10.2797 10.2797 10.9406 10.9406 11.7129 11.7129 13.0054 13.0054 13.6591 13.6591 13.6917 13.6917 14.2580 14.2580 k = 0.0000 0.1733-0.0000 ( 3526 PWs) bands (ev): -2.5208 -2.5208 0.1488 0.1488 0.6996 0.6996 0.7908 0.7908 4.5684 4.5684 4.9245 4.9245 6.0021 6.0021 7.1544 7.1544 7.2184 7.2184 7.3022 7.3022 7.5929 7.5929 7.7778 7.7778 8.0350 8.0350 8.0864 8.0864 8.1105 8.1105 8.1632 8.1632 8.8332 8.8332 10.2062 10.2062 10.8266 10.8266 11.5678 11.5678 13.0332 13.0332 13.6402 13.6402 13.7849 13.7849 14.2780 14.2780 k = 0.0000 0.1625-0.0000 ( 3534 PWs) bands (ev): -2.5669 -2.5669 0.2647 0.2647 0.6865 0.6865 0.7714 0.7714 4.6376 4.6376 5.0282 5.0282 5.8382 5.8382 7.1400 7.1400 7.2196 7.2196 7.3075 7.3075 7.6007 7.6007 7.7753 7.7753 8.0294 8.0294 8.0845 8.0845 8.1084 8.1084 8.1650 8.1650 8.8050 8.8050 10.1359 10.1359 10.7034 10.7034 11.4260 11.4260 13.0506 13.0506 13.6190 13.6190 13.8847 13.8847 14.3010 14.3010 k = 0.0000 0.1516-0.0000 ( 3532 PWs) bands (ev): -2.6100 -2.6100 0.3708 0.3708 0.6855 0.6855 0.7526 0.7526 4.7064 4.7064 5.1348 5.1348 5.6739 5.6739 7.1261 7.1261 7.2210 7.2210 7.3128 7.3128 7.6083 7.6083 7.7709 7.7709 8.0242 8.0242 8.0788 8.0788 8.1088 8.1088 8.1672 8.1672 8.7815 8.7815 10.0690 10.0690 10.5741 10.5741 11.2883 11.2883 13.0599 13.0599 13.5979 13.5979 13.9853 13.9853 14.3290 14.3290 k = 0.0000 0.1408-0.0000 ( 3528 PWs) bands (ev): -2.6502 -2.6502 0.4519 0.4519 0.7113 0.7113 0.7344 0.7344 4.7725 4.7725 5.2438 5.2438 5.5120 5.5120 7.1127 7.1127 7.2226 7.2226 7.3178 7.3178 7.6159 7.6159 7.7647 7.7647 8.0190 8.0190 8.0697 8.0697 8.1114 8.1114 8.1695 8.1695 8.7619 8.7619 10.0056 10.0056 10.4413 10.4413 11.1557 11.1557 13.0631 13.0631 13.5778 13.5778 14.0808 14.0808 14.3659 14.3659 k = 0.0000 0.1300-0.0000 ( 3522 PWs) bands (ev): -2.6874 -2.6874 0.4923 0.4923 0.7168 0.7168 0.7800 0.7800 4.8309 4.8309 5.3546 5.3546 5.3581 5.3581 7.0999 7.0999 7.2242 7.2242 7.3227 7.3227 7.6235 7.6235 7.7563 7.7563 8.0140 8.0140 8.0581 8.0581 8.1151 8.1151 8.1719 8.1719 8.7457 8.7457 9.9456 9.9456 10.3077 10.3077 11.0288 11.0288 13.0620 13.0620 13.5587 13.5587 14.1626 14.1626 14.4164 14.4164 k = 0.0000 0.1191-0.0000 ( 3526 PWs) bands (ev): -2.7216 -2.7216 0.5012 0.5012 0.7003 0.7003 0.8815 0.8815 4.8670 4.8670 5.2263 5.2263 5.4672 5.4672 7.0876 7.0876 7.2257 7.2257 7.3273 7.3273 7.6312 7.6312 7.7455 7.7455 8.0087 8.0087 8.0447 8.0447 8.1195 8.1195 8.1742 8.1742 8.7321 8.7321 9.8888 9.8888 10.1755 10.1755 10.9086 10.9086 13.0579 13.0579 13.5411 13.5411 14.2234 14.2234 14.4178 14.4178 k = 0.0000 0.1083-0.0000 ( 3518 PWs) bands (ev): -2.7529 -2.7529 0.4965 0.4965 0.6848 0.6848 0.9979 0.9979 4.8429 4.8429 5.1557 5.1557 5.5802 5.5802 7.0757 7.0757 7.2273 7.2273 7.3318 7.3318 7.6392 7.6392 7.7323 7.7323 8.0025 8.0025 8.0306 8.0306 8.1241 8.1241 8.1766 8.1766 8.7210 8.7210 9.8346 9.8346 10.0477 10.0477 10.7958 10.7958 13.0518 13.0518 13.5250 13.5250 14.2648 14.2648 14.4187 14.4187 k = 0.0000 0.0975-0.0000 ( 3512 PWs) bands (ev): -2.7812 -2.7812 0.4868 0.4868 0.6705 0.6705 1.1196 1.1196 4.7419 4.7419 5.1630 5.1630 5.6929 5.6929 7.0644 7.0644 7.2288 7.2288 7.3358 7.3358 7.6474 7.6474 7.7166 7.7166 7.9935 7.9935 8.0178 8.0178 8.1289 8.1289 8.1790 8.1790 8.7117 8.7117 9.7810 9.7810 9.9283 9.9283 10.6912 10.6912 13.0446 13.0446 13.5103 13.5103 14.2935 14.2935 14.4194 14.4194 k = 0.0000 0.0866-0.0000 ( 3508 PWs) bands (ev): -2.8066 -2.8066 0.4756 0.4756 0.6575 0.6575 1.2424 1.2424 4.6077 4.6077 5.2051 5.2051 5.8043 5.8043 7.0533 7.0533 7.2302 7.2302 7.3395 7.3395 7.6551 7.6551 7.6991 7.6991 7.9790 7.9790 8.0091 8.0091 8.1336 8.1336 8.1812 8.1812 8.7041 8.7041 9.7209 9.7209 9.8264 9.8264 10.5954 10.5954 13.0368 13.0368 13.4973 13.4973 14.3148 14.3148 14.4198 14.4198 k = 0.0000 0.0758-0.0000 ( 3512 PWs) bands (ev): -2.8289 -2.8289 0.4644 0.4644 0.6458 0.6458 1.3634 1.3634 4.4671 4.4671 5.2556 5.2556 5.9133 5.9133 7.0425 7.0425 7.2314 7.2314 7.3428 7.3428 7.6575 7.6575 7.6849 7.6849 7.9601 7.9601 8.0038 8.0038 8.1381 8.1381 8.1833 8.1833 8.6978 8.6978 9.6433 9.6433 9.7551 9.7551 10.5091 10.5091 13.0291 13.0291 13.4858 13.4858 14.3316 14.3316 14.4201 14.4201 k = 0.0000 0.0650-0.0000 ( 3509 PWs) bands (ev): -2.8483 -2.8483 0.4540 0.4540 0.6355 0.6355 1.4802 1.4802 4.3299 4.3299 5.3059 5.3059 6.0181 6.0181 7.0318 7.0318 7.2326 7.2326 7.3458 7.3458 7.6423 7.6423 7.6866 7.6866 7.9388 7.9388 8.0002 8.0002 8.1422 8.1422 8.1854 8.1854 8.6926 8.6926 9.5552 9.5552 9.7093 9.7093 10.4331 10.4331 13.0217 13.0217 13.4760 13.4760 14.3453 14.3453 14.4203 14.4203 k = 0.0000 0.0542-0.0000 ( 3517 PWs) bands (ev): -2.8647 -2.8647 0.4448 0.4448 0.6268 0.6268 1.5901 1.5901 4.2014 4.2014 5.3522 5.3522 6.1168 6.1168 7.0210 7.0210 7.2336 7.2336 7.3483 7.3483 7.6179 7.6179 7.6971 7.6971 7.9162 7.9162 7.9973 7.9973 8.1459 8.1459 8.1871 8.1871 8.6884 8.6884 9.4714 9.4714 9.6761 9.6761 10.3676 10.3676 13.0150 13.0150 13.4676 13.4676 14.3564 14.3564 14.4204 14.4204 k = 0.0000 0.0433-0.0000 ( 3523 PWs) bands (ev): -2.8781 -2.8781 0.4370 0.4370 0.6195 0.6195 1.6896 1.6896 4.0859 4.0859 5.3925 5.3925 6.2066 6.2066 7.0101 7.0101 7.2344 7.2344 7.3504 7.3504 7.5917 7.5917 7.7101 7.7101 7.8932 7.8932 7.9952 7.9952 8.1490 8.1490 8.1887 8.1887 8.6850 8.6850 9.3985 9.3985 9.6508 9.6508 10.3134 10.3134 13.0092 13.0092 13.4608 13.4608 14.3654 14.3654 14.4205 14.4205 k = 0.0000 0.0325-0.0000 ( 3529 PWs) bands (ev): -2.8886 -2.8886 0.4308 0.4308 0.6138 0.6138 1.7747 1.7747 3.9879 3.9879 5.4253 5.4253 6.2841 6.2841 6.9995 6.9995 7.2349 7.2349 7.3519 7.3519 7.5667 7.5667 7.7247 7.7247 7.8704 7.8704 7.9936 7.9936 8.1514 8.1514 8.1900 8.1900 8.6826 8.6826 9.3396 9.3396 9.6316 9.6316 10.2708 10.2708 13.0045 13.0045 13.4555 13.4555 14.3723 14.3723 14.4205 14.4205 k = 0.0000 0.0217-0.0000 ( 3525 PWs) bands (ev): -2.8960 -2.8960 0.4263 0.4263 0.6097 0.6097 1.8408 1.8408 3.9126 3.9126 5.4495 5.4495 6.3450 6.3450 6.9900 6.9900 7.2354 7.2354 7.3531 7.3531 7.5461 7.5461 7.7397 7.7397 7.8492 7.8492 7.9925 7.9925 8.1532 8.1532 8.1910 8.1910 8.6808 8.6808 9.2965 9.2965 9.6182 9.6182 10.2401 10.2401 13.0011 13.0011 13.4518 13.4518 14.3772 14.3772 14.4205 14.4205 k = 0.0000 0.0108-0.0000 ( 3531 PWs) bands (ev): -2.9005 -2.9005 0.4236 0.4236 0.6073 0.6073 1.8829 1.8829 3.8648 3.8648 5.4644 5.4644 6.3845 6.3845 6.9831 6.9831 7.2355 7.2355 7.3539 7.3539 7.5323 7.5323 7.7530 7.7530 7.8320 7.8320 7.9918 7.9918 8.1542 8.1542 8.1915 8.1915 8.6797 8.6797 9.2702 9.2702 9.6102 9.6102 10.2216 10.2216 12.9990 12.9990 13.4495 13.4495 14.3802 14.3802 14.4204 14.4204 k = 0.0000 0.0000 0.0000 ( 3525 PWs) bands (ev): -2.9020 -2.9020 0.4227 0.4227 0.6064 0.6064 1.8975 1.8975 3.8484 3.8484 5.4694 5.4694 6.3982 6.3982 6.9805 6.9805 7.2356 7.2356 7.3542 7.3542 7.5274 7.5274 7.7592 7.7592 7.8245 7.8245 7.9916 7.9916 8.1546 8.1546 8.1917 8.1917 8.6794 8.6794 9.2614 9.2614 9.6075 9.6075 10.2154 10.2154 12.9983 12.9983 13.4488 13.4488 14.3811 14.3811 14.4204 14.4204 k = 0.0000 0.0000 0.0000 ( 3525 PWs) bands (ev): -2.9020 -2.9020 0.4227 0.4227 0.6064 0.6064 1.8975 1.8975 3.8484 3.8484 5.4694 5.4694 6.3982 6.3982 6.9805 6.9805 7.2356 7.2356 7.3542 7.3542 7.5274 7.5274 7.7592 7.7592 7.8245 7.8245 7.9916 7.9916 8.1546 8.1546 8.1917 8.1917 8.6794 8.6794 9.2614 9.2614 9.6075 9.6075 10.2154 10.2154 12.9983 12.9983 13.4488 13.4488 14.3811 14.3811 14.4204 14.4204 k = 0.0000 0.0000 0.0110 ( 3521 PWs) bands (ev): -2.9005 -2.9005 0.3681 0.3681 0.6603 0.6603 1.8981 1.8981 3.8502 3.8502 5.4691 5.4691 6.3960 6.3960 6.9817 6.9817 7.2356 7.2356 7.3542 7.3542 7.5050 7.5050 7.7596 7.7596 7.8413 7.8413 7.9939 7.9939 8.1544 8.1544 8.1912 8.1912 8.6796 8.6796 9.2675 9.2675 9.6106 9.6106 10.2186 10.2186 12.9890 12.9890 13.4198 13.4198 14.3799 14.3799 14.4291 14.4291 k = 0.0000 0.0000 0.0220 ( 3533 PWs) bands (ev): -2.8960 -2.8960 0.2684 0.2684 0.7579 0.7579 1.9001 1.9001 3.8556 3.8556 5.4682 5.4682 6.3893 6.3893 6.9851 6.9851 7.2353 7.2353 7.3539 7.3539 7.4497 7.4497 7.7622 7.7622 7.8770 7.8770 8.0020 8.0020 8.1535 8.1535 8.1893 8.1893 8.6801 8.6801 9.2856 9.2856 9.6198 9.6198 10.2280 10.2280 12.9617 12.9617 13.3389 13.3389 14.3725 14.3725 14.4548 14.4548 k = 0.0000 0.0000 0.0331 ( 3533 PWs) bands (ev): -2.8885 -2.8885 0.1598 0.1598 0.8629 0.8629 1.9033 1.9033 3.8645 3.8645 5.4671 5.4671 6.3779 6.3779 6.9904 6.9904 7.2344 7.2344 7.3534 7.3534 7.3799 7.3799 7.7680 7.7680 7.9099 7.9099 8.0201 8.0201 8.1521 8.1521 8.1864 8.1864 8.6810 8.6810 9.3151 9.3151 9.6351 9.6351 10.2438 10.2438 12.9183 12.9183 13.2194 13.2194 14.3549 14.3549 14.4942 14.4942 k = 0.0000 0.0000 0.0441 ( 3531 PWs) bands (ev): -2.8780 -2.8780 0.0487 0.0487 0.9688 0.9688 1.9078 1.9078 3.8769 3.8769 5.4659 5.4659 6.3613 6.3613 6.9969 6.9969 7.2302 7.2302 7.3071 7.3071 7.3539 7.3539 7.7762 7.7762 7.9296 7.9296 8.0499 8.0499 8.1504 8.1504 8.1827 8.1827 8.6822 8.6822 9.3547 9.3547 9.6566 9.6566 10.2659 10.2659 12.8609 12.8609 13.0751 13.0751 14.3255 14.3255 14.5430 14.5430 k = 0.0000 0.0000 0.0551 ( 3537 PWs) bands (ev): -2.8645 -2.8645 -0.0630 -0.0630 1.0734 1.0734 1.9136 1.9136 3.8929 3.8929 5.4654 5.4654 6.3387 6.3387 7.0031 7.0031 7.2035 7.2035 7.2588 7.2588 7.3534 7.3534 7.7867 7.7867 7.9384 7.9384 8.0846 8.0846 8.1487 8.1487 8.1785 8.1785 8.6839 8.6839 9.4027 9.4027 9.6842 9.6842 10.2945 10.2945 12.7921 12.7921 12.9172 12.9172 14.2837 14.2837 14.5979 14.5979 k = 0.0000 0.0000 0.0661 ( 3527 PWs) bands (ev): -2.8481 -2.8481 -0.1746 -0.1746 1.1758 1.1758 1.9205 1.9205 3.9122 3.9122 5.4659 5.4659 6.3094 6.3094 7.0045 7.0045 7.1470 7.1470 7.2494 7.2494 7.3531 7.3531 7.7993 7.7993 7.9417 7.9417 8.1151 8.1151 8.1489 8.1489 8.1749 8.1749 8.6860 8.6860 9.4566 9.4566 9.7180 9.7180 10.3295 10.3295 12.7135 12.7135 12.7548 12.7548 14.2301 14.2301 14.6563 14.6563 k = 0.0000 0.0000 0.0771 ( 3535 PWs) bands (ev): -2.8286 -2.8286 -0.2856 -0.2856 1.2752 1.2752 1.9286 1.9286 3.9349 3.9349 5.4682 5.4682 6.2727 6.2727 6.9887 6.9887 7.1053 7.1053 7.2485 7.2485 7.3525 7.3525 7.8135 7.8135 7.9419 7.9419 8.1288 8.1288 8.1549 8.1549 8.1770 8.1770 8.6885 8.6885 9.5138 9.5138 9.7575 9.7575 10.3709 10.3709 12.5892 12.5892 12.6321 12.6321 14.1656 14.1656 14.7158 14.7158 k = 0.0000 0.0000 0.0881 ( 3535 PWs) bands (ev): -2.8062 -2.8062 -0.3956 -0.3956 1.3708 1.3708 1.9377 1.9377 3.9609 3.9609 5.4729 5.4729 6.2280 6.2280 6.9473 6.9473 7.0951 7.0951 7.2493 7.2493 7.3518 7.3518 7.8292 7.8292 7.9404 7.9404 8.1284 8.1284 8.1550 8.1550 8.1937 8.1937 8.6915 8.6915 9.5712 9.5712 9.8019 9.8019 10.4188 10.4188 12.4345 12.4345 12.5413 12.5413 14.0913 14.0913 14.7739 14.7739 k = 0.0000 0.0000 0.0992 ( 3531 PWs) bands (ev): -2.7807 -2.7807 -0.5044 -0.5044 1.4622 1.4622 1.9479 1.9479 3.9900 3.9900 5.4805 5.4805 6.1753 6.1753 6.8957 6.8957 7.1032 7.1032 7.2509 7.2509 7.3510 7.3510 7.8459 7.8459 7.9376 7.9376 8.1243 8.1243 8.1504 8.1504 8.2134 8.2134 8.6950 8.6950 9.6262 9.6262 9.8493 9.8493 10.4730 10.4730 12.2915 12.2915 12.4473 12.4473 14.0082 14.0082 14.8268 14.8268 k = 0.0000 0.0000 0.1102 ( 3521 PWs) bands (ev): -2.7523 -2.7523 -0.6119 -0.6119 1.5488 1.5488 1.9590 1.9590 4.0222 4.0222 5.4913 5.4913 6.1151 6.1151 6.8454 6.8454 7.1183 7.1183 7.2530 7.2530 7.3500 7.3500 7.8635 7.8635 7.9336 7.9336 8.1190 8.1190 8.1449 8.1449 8.2302 8.2302 8.6991 8.6991 9.6765 9.6765 9.8972 9.8972 10.5334 10.5334 12.1662 12.1662 12.3504 12.3504 13.9173 13.9173 14.8689 14.8689 k = 0.0000 0.0000 0.1212 ( 3509 PWs) bands (ev): -2.7210 -2.7210 -0.7177 -0.7177 1.6301 1.6301 1.9709 1.9709 4.0574 4.0574 5.5055 5.5055 6.0489 6.0489 6.7994 6.7994 7.1369 7.1369 7.2554 7.2554 7.3488 7.3488 7.8816 7.8816 7.9288 7.9288 8.1133 8.1133 8.1392 8.1392 8.2436 8.2436 8.7038 8.7038 9.7191 9.7191 9.9429 9.9429 10.5998 10.5998 12.0645 12.0645 12.2515 12.2515 13.8193 13.8193 14.8913 14.8913 k = 0.0000 0.0000 0.1322 ( 3515 PWs) bands (ev): -2.6867 -2.6867 -0.8219 -0.8219 1.7056 1.7056 1.9835 1.9835 4.0954 4.0954 5.5223 5.5223 5.9791 5.9791 6.7579 6.7579 7.1580 7.1580 7.2581 7.2581 7.3474 7.3474 7.8996 7.8996 7.9228 7.9228 8.1074 8.1074 8.1334 8.1334 8.2535 8.2535 8.7092 8.7092 9.7494 9.7494 9.9858 9.9858 10.6721 10.6721 11.9920 11.9920 12.1512 12.1512 13.7151 13.7151 14.8882 14.8882 k = 0.0000 0.0000 0.1432 ( 3523 PWs) bands (ev): -2.6494 -2.6494 -0.9243 -0.9243 1.7750 1.7750 1.9967 1.9967 4.1362 4.1362 5.5398 5.5398 5.9093 5.9093 6.7202 6.7202 7.1811 7.1811 7.2609 7.2609 7.3457 7.3457 7.9119 7.9119 7.9212 7.9212 8.1015 8.1015 8.1276 8.1276 8.2602 8.2602 8.7155 8.7155 9.7608 9.7608 10.0285 10.0285 10.7500 10.7500 11.9527 11.9527 12.0500 12.0500 13.6053 13.6053 14.8590 14.8590 k = 0.0000 0.0000 0.1543 ( 3515 PWs) bands (ev): -2.6093 -2.6093 -1.0247 -1.0247 1.8380 1.8380 2.0104 2.0104 4.1797 4.1797 5.5527 5.5527 5.8465 5.8465 6.6854 6.6854 7.2061 7.2061 7.2641 7.2641 7.3438 7.3438 7.9047 7.9047 7.9376 7.9376 8.0961 8.0961 8.1219 8.1219 8.2639 8.2639 8.7227 8.7227 9.7477 9.7477 10.0748 10.0748 10.8337 10.8337 11.9452 11.9452 11.9516 11.9516 13.4906 13.4906 14.8039 14.8039 k = 0.0000 0.0000 0.1653 ( 3517 PWs) bands (ev): -2.5662 -2.5662 -1.1231 -1.1231 1.8944 1.8944 2.0243 2.0243 4.2257 4.2257 5.5491 5.5491 5.8036 5.8036 6.6523 6.6523 7.2330 7.2330 7.2675 7.2675 7.3416 7.3416 7.8941 7.8941 7.9552 7.9552 8.0911 8.0911 8.1164 8.1164 8.2648 8.2648 8.7310 8.7310 9.7090 9.7090 10.1272 10.1272 10.9230 10.9230 11.8466 11.8466 11.9781 11.9781 13.3716 13.3716 14.7235 14.7235 k = 0.0000 0.0000 0.1763 ( 3514 PWs) bands (ev): -2.5201 -2.5201 -1.2193 -1.2193 1.9441 1.9441 2.0383 2.0383 4.2744 4.2744 5.5158 5.5158 5.7946 5.7946 6.6201 6.6201 7.2619 7.2619 7.2712 7.2712 7.3392 7.3392 7.8810 7.8810 7.9724 7.9724 8.0869 8.0869 8.1111 8.1111 8.2631 8.2631 8.7407 8.7407 9.6486 9.6486 10.1858 10.1858 11.0178 11.0178 11.7453 11.7453 12.0378 12.0378 13.2490 13.2490 14.6206 14.6206 k = 0.0000 0.0000 0.1873 ( 3520 PWs) bands (ev): -2.4712 -2.4712 -1.3133 -1.3133 1.9872 1.9872 2.0522 2.0522 4.3257 4.3257 5.4562 5.4562 5.8165 5.8165 6.5876 6.5876 7.2745 7.2745 7.2935 7.2935 7.3365 7.3365 7.8656 7.8656 7.9889 7.9889 8.0834 8.0834 8.1061 8.1061 8.2587 8.2587 8.7520 8.7520 9.5725 9.5725 10.2496 10.2496 11.1179 11.1179 11.6446 11.6446 12.1228 12.1228 13.1233 13.1233 14.4996 14.4996 k = 0.0000 0.0000 0.1983 ( 3524 PWs) bands (ev): -2.4194 -2.4194 -1.4051 -1.4051 2.0238 2.0238 2.0657 2.0657 4.3795 4.3795 5.3829 5.3829 5.8566 5.8566 6.5543 6.5543 7.2784 7.2784 7.3270 7.3270 7.3335 7.3335 7.8473 7.8473 8.0044 8.0044 8.0808 8.0808 8.1020 8.1020 8.2517 8.2517 8.7652 8.7652 9.4870 9.4870 10.3178 10.3178 11.2230 11.2230 11.5449 11.5449 12.2282 12.2282 12.9950 12.9950 14.3647 14.3647 k = 0.0000 0.0000 0.2093 ( 3524 PWs) bands (ev): -2.3648 -2.3648 -1.4944 -1.4944 2.0541 2.0541 2.0787 2.0787 4.4360 4.4360 5.3039 5.3039 5.9065 5.9065 6.5194 6.5194 7.2824 7.2824 7.3304 7.3304 7.3631 7.3631 7.8258 7.8258 8.0184 8.0184 8.0789 8.0789 8.0994 8.0994 8.2424 8.2424 8.7809 8.7809 9.3978 9.3978 10.3897 10.3897 11.3314 11.3314 11.4476 11.4476 12.3496 12.3496 12.8648 12.8648 14.2196 14.2196 k = 0.0000 0.0000 0.2204 ( 3532 PWs) bands (ev): -2.3073 -2.3073 -1.5813 -1.5813 2.0784 2.0784 2.0907 2.0907 4.4952 4.4952 5.2229 5.2229 5.9619 5.9619 6.4824 6.4824 7.2864 7.2864 7.3269 7.3269 7.4015 7.4015 7.8005 7.8005 8.0305 8.0305 8.0769 8.0769 8.0997 8.0997 8.2309 8.2309 8.7995 8.7995 9.3092 9.3092 10.4649 10.4649 11.3441 11.3441 11.4514 11.4514 12.4834 12.4834 12.7332 12.7332 14.0672 14.0672 k = 0.0000 0.0000 0.2314 ( 3538 PWs) bands (ev): -2.2470 -2.2470 -1.6658 -1.6658 2.0971 2.0971 2.1016 2.1016 4.5571 4.5571 5.1417 5.1417 6.0203 6.0203 6.4428 6.4428 7.2906 7.2906 7.3233 7.3233 7.4422 7.4422 7.7713 7.7713 8.0400 8.0400 8.0743 8.0743 8.1040 8.1040 8.2176 8.2176 8.8216 8.8216 9.2248 9.2248 10.5430 10.5430 11.2495 11.2495 11.5679 11.5679 12.5995 12.5995 12.6279 12.6279 13.9095 13.9095 k = 0.0000 0.0000 0.2424 ( 3530 PWs) bands (ev): -2.1838 -2.1838 -1.7477 -1.7477 2.1105 2.1105 2.1110 2.1110 4.6216 4.6216 5.0615 5.0615 6.0799 6.0799 6.4001 6.4001 7.2948 7.2948 7.3196 7.3196 7.4850 7.4850 7.7381 7.7381 8.0472 8.0472 8.0711 8.0711 8.1127 8.1127 8.2027 8.2027 8.8481 8.8481 9.1469 9.1469 10.6237 10.6237 11.1548 11.1548 11.6894 11.6894 12.4673 12.4673 12.7778 12.7778 13.7482 13.7482 k = 0.0000 0.0000 0.2534 ( 3534 PWs) bands (ev): -2.1179 -2.1179 -1.8271 -1.8271 2.1181 2.1181 2.1197 2.1197 4.6888 4.6888 4.9827 4.9827 6.1391 6.1391 6.3542 6.3542 7.2991 7.2991 7.3157 7.3157 7.5290 7.5290 7.7010 7.7010 8.0524 8.0524 8.0676 8.0676 8.1246 8.1246 8.1869 8.1869 8.8798 8.8798 9.0769 9.0769 10.7070 10.7070 11.0615 11.0615 11.8142 11.8142 12.3345 12.3345 12.9339 12.9339 13.5848 13.5848 k = 0.0000 0.0000 0.2644 ( 3532 PWs) bands (ev): -2.0493 -2.0493 -1.9038 -1.9038 2.1231 2.1231 2.1244 2.1244 4.7587 4.7587 4.9058 4.9058 6.1969 6.1969 6.3049 6.3049 7.3033 7.3033 7.3117 7.3117 7.5736 7.5736 7.6607 7.6607 8.0566 8.0566 8.0640 8.0640 8.1388 8.1388 8.1705 8.1705 8.9176 8.9176 9.0155 9.0155 10.7925 10.7925 10.9700 10.9700 11.9416 11.9416 12.2022 12.2022 13.0939 13.0939 13.4205 13.4205 k = 0.0000 0.0000 0.2754 ( 3536 PWs) bands (ev): -1.9779 -1.9779 -1.9779 -1.9779 2.1254 2.1254 2.1254 2.1254 4.8310 4.8310 4.8310 4.8310 6.2524 6.2524 6.2524 6.2524 7.3075 7.3075 7.3075 7.3075 7.6179 7.6179 7.6179 7.6179 8.0604 8.0604 8.0604 8.0604 8.1543 8.1543 8.1543 8.1543 8.9625 8.9625 8.9625 8.9625 10.8802 10.8802 10.8802 10.8802 12.0711 12.0711 12.0711 12.0711 13.2565 13.2565 13.2565 13.2565 k = 0.0000 0.0000 0.2754 ( 3536 PWs) bands (ev): -1.9779 -1.9779 -1.9779 -1.9779 2.1254 2.1254 2.1254 2.1254 4.8310 4.8310 4.8310 4.8310 6.2524 6.2524 6.2524 6.2524 7.3075 7.3075 7.3075 7.3075 7.6179 7.6179 7.6179 7.6179 8.0604 8.0604 8.0604 8.0604 8.1543 8.1543 8.1543 8.1543 8.9625 8.9625 8.9625 8.9625 10.8802 10.8802 10.8802 10.8802 12.0711 12.0711 12.0711 12.0711 13.2565 13.2565 13.2565 13.2565 k = 0.0109-0.0000 0.2754 ( 3540 PWs) bands (ev): -1.9765 -1.9765 -1.9765 -1.9765 2.1259 2.1259 2.1261 2.1261 4.8323 4.8323 4.8325 4.8325 6.2526 6.2526 6.2536 6.2536 7.3030 7.3030 7.3089 7.3089 7.6168 7.6168 7.6215 7.6215 8.0572 8.0572 8.0609 8.0609 8.1504 8.1504 8.1565 8.1565 8.9625 8.9625 8.9628 8.9628 10.8578 10.8578 10.8714 10.8714 12.0779 12.0779 12.0831 12.0831 13.2568 13.2568 13.2575 13.2575 k = 0.0217-0.0000 0.2754 ( 3544 PWs) bands (ev): -1.9723 -1.9723 -1.9722 -1.9722 2.1276 2.1276 2.1280 2.1280 4.8364 4.8364 4.8366 4.8366 6.2544 6.2544 6.2562 6.2562 7.2956 7.2956 7.3070 7.3070 7.6181 7.6181 7.6272 7.6272 8.0514 8.0514 8.0590 8.0590 8.1446 8.1446 8.1571 8.1571 8.9626 8.9626 8.9634 8.9634 10.8067 10.8067 10.8327 10.8327 12.1027 12.1027 12.1116 12.1116 13.2585 13.2585 13.2595 13.2595 k = 0.0326-0.0000 0.2754 ( 3544 PWs) bands (ev): -1.9653 -1.9653 -1.9652 -1.9652 2.1305 2.1305 2.1312 2.1312 4.8431 4.8431 4.8435 4.8435 6.2576 6.2576 6.2603 6.2603 7.2856 7.2856 7.3022 7.3022 7.6218 7.6218 7.6346 7.6346 8.0427 8.0427 8.0546 8.0546 8.1371 8.1371 8.1561 8.1561 8.9630 8.9630 8.9641 8.9641 10.7321 10.7321 10.7683 10.7683 12.1417 12.1417 12.1522 12.1522 13.2614 13.2614 13.2624 13.2624 k = 0.0435-0.0000 0.2754 ( 3540 PWs) bands (ev): -1.9556 -1.9556 -1.9554 -1.9554 2.1346 2.1346 2.1355 2.1355 4.8526 4.8526 4.8531 4.8531 6.2622 6.2622 6.2659 6.2659 7.2735 7.2735 7.2947 7.2947 7.6274 7.6274 7.6432 7.6432 8.0308 8.0308 8.0476 8.0476 8.1280 8.1280 8.1539 8.1539 8.9636 8.9636 8.9651 8.9651 10.6398 10.6398 10.6843 10.6843 12.1901 12.1901 12.2002 12.2002 13.2657 13.2657 13.2658 13.2658 k = 0.0543-0.0000 0.2754 ( 3540 PWs) bands (ev): -1.9430 -1.9430 -1.9429 -1.9429 2.1399 2.1399 2.1410 2.1410 4.8649 4.8649 4.8654 4.8654 6.2680 6.2680 6.2727 6.2727 7.2597 7.2597 7.2848 7.2848 7.6343 7.6343 7.6521 7.6521 8.0154 8.0154 8.0376 8.0376 8.1177 8.1177 8.1504 8.1504 8.9645 8.9645 8.9663 8.9663 10.5352 10.5352 10.5862 10.5862 12.2439 12.2439 12.2517 12.2517 13.2693 13.2693 13.2710 13.2710 k = 0.0652-0.0000 0.2754 ( 3532 PWs) bands (ev): -1.9277 -1.9277 -1.9275 -1.9275 2.1463 2.1463 2.1476 2.1476 4.8798 4.8798 4.8804 4.8804 6.2751 6.2751 6.2808 6.2808 7.2445 7.2445 7.2733 7.2733 7.6418 7.6418 7.6607 7.6607 7.9964 7.9964 8.0245 8.0245 8.1065 8.1065 8.1460 8.1460 8.9655 8.9655 8.9676 8.9676 10.4228 10.4228 10.4789 10.4789 12.2999 12.2999 12.3040 12.3040 13.2725 13.2725 13.2772 13.2772 k = 0.0761-0.0000 0.2754 ( 3534 PWs) bands (ev): -1.9096 -1.9096 -1.9094 -1.9094 2.1537 2.1537 2.1553 2.1553 4.8975 4.8975 4.8980 4.8980 6.2831 6.2831 6.2899 6.2899 7.2282 7.2282 7.2602 7.2602 7.6490 7.6490 7.6678 7.6678 7.9735 7.9735 8.0078 8.0078 8.0951 8.0951 8.1408 8.1408 8.9668 8.9668 8.9691 8.9691 10.3062 10.3062 10.3665 10.3665 12.3552 12.3552 12.3561 12.3561 13.2746 13.2746 13.2839 13.2839 k = 0.0870-0.0000 0.2754 ( 3534 PWs) bands (ev): -1.8887 -1.8887 -1.8885 -1.8885 2.1621 2.1621 2.1640 2.1640 4.9178 4.9178 4.9183 4.9183 6.2920 6.2920 6.3000 6.3000 7.2110 7.2110 7.2460 7.2460 7.6547 7.6547 7.6723 7.6723 7.9471 7.9471 7.9879 7.9879 8.0839 8.0839 8.1350 8.1350 8.9682 8.9682 8.9708 8.9708 10.1885 10.1885 10.2521 10.2521 12.4044 12.4044 12.4112 12.4112 13.2751 13.2751 13.2909 13.2909 k = 0.0978-0.0000 0.2754 ( 3540 PWs) bands (ev): -1.8651 -1.8651 -1.8648 -1.8648 2.1715 2.1715 2.1737 2.1737 4.9407 4.9407 4.9411 4.9411 6.3015 6.3015 6.3108 6.3108 7.1932 7.1932 7.2309 7.2309 7.6574 7.6574 7.6724 7.6724 7.9179 7.9179 7.9658 7.9658 8.0733 8.0733 8.1288 8.1288 8.9699 8.9699 8.9725 8.9725 10.0722 10.0722 10.1385 10.1385 12.4509 12.4509 12.4645 12.4645 13.2730 13.2730 13.2976 13.2976 k = 0.1087-0.0000 0.2754 ( 3528 PWs) bands (ev): -1.8388 -1.8388 -1.8384 -1.8384 2.1817 2.1817 2.1842 2.1842 4.9663 4.9663 4.9664 4.9664 6.3114 6.3114 6.3219 6.3219 7.1748 7.1748 7.2152 7.2152 7.6545 7.6545 7.6660 7.6660 7.8881 7.8881 7.9435 7.9435 8.0633 8.0633 8.1224 8.1224 8.9717 8.9717 8.9744 8.9744 9.9594 9.9594 10.0278 10.0278 12.4942 12.4942 12.5156 12.5156 13.2670 13.2670 13.3036 13.3036 k = 0.1196-0.0000 0.2754 ( 3532 PWs) bands (ev): -1.8097 -1.8097 -1.8093 -1.8093 2.1926 2.1926 2.1955 2.1955 4.9942 4.9942 4.9945 4.9945 6.3210 6.3210 6.3331 6.3331 7.1558 7.1558 7.1989 7.1989 7.6425 7.6425 7.6503 7.6503 7.8608 7.8608 7.9236 7.9236 8.0540 8.0540 8.1158 8.1158 8.9735 8.9735 8.9763 8.9763 9.8518 9.8518 9.9216 9.9216 12.5339 12.5339 12.5645 12.5645 13.2555 13.2555 13.3081 13.3081 k = 0.1304-0.0000 0.2754 ( 3528 PWs) bands (ev): -1.7779 -1.7779 -1.7775 -1.7775 2.2042 2.2042 2.2074 2.2074 5.0244 5.0244 5.0252 5.0252 6.3301 6.3301 6.3437 6.3437 7.1362 7.1362 7.1820 7.1820 7.6175 7.6175 7.6236 7.6236 7.8400 7.8400 7.9082 7.9082 8.0454 8.0454 8.1093 8.1093 8.9755 8.9755 8.9782 8.9782 9.7507 9.7507 9.8213 9.8213 12.5691 12.5691 12.6108 12.6108 13.2362 13.2362 13.3100 13.3100 k = 0.1413-0.0000 0.2754 ( 3528 PWs) bands (ev): -1.7435 -1.7435 -1.7431 -1.7431 2.2163 2.2163 2.2199 2.2199 5.0568 5.0568 5.0584 5.0584 6.3378 6.3378 6.3531 6.3531 7.1159 7.1159 7.1642 7.1642 7.5786 7.5786 7.5858 7.5858 7.8276 7.8276 7.8982 7.8982 8.0375 8.0375 8.1029 8.1029 8.9775 8.9775 8.9800 8.9800 9.6570 9.6570 9.7279 9.7279 12.5987 12.5987 12.6543 12.6543 13.2063 13.2063 13.3070 13.3070 k = 0.1522-0.0000 0.2754 ( 3528 PWs) bands (ev): -1.7064 -1.7064 -1.7059 -1.7059 2.2288 2.2288 2.2328 2.2328 5.0915 5.0915 5.0940 5.0940 6.3432 6.3432 6.3604 6.3604 7.0945 7.0945 7.1451 7.1451 7.5285 7.5285 7.5394 7.5394 7.8222 7.8222 7.8927 7.8927 8.0307 8.0307 8.0969 8.0969 8.9794 8.9794 8.9817 8.9817 9.5713 9.5713 9.6417 9.6417 12.6201 12.6201 12.6943 12.6943 13.1631 13.1631 13.2932 13.2932 k = 0.1630-0.0000 0.2754 ( 3536 PWs) bands (ev): -1.6666 -1.6666 -1.6661 -1.6661 2.2414 2.2414 2.2458 2.2458 5.1281 5.1281 5.1320 5.1320 6.3452 6.3452 6.3643 6.3643 7.0718 7.0718 7.1240 7.1240 7.4724 7.4724 7.4878 7.4878 7.8212 7.8212 7.8898 7.8898 8.0250 8.0250 8.0911 8.0911 8.9812 8.9812 8.9830 8.9830 9.4937 9.4937 9.5630 9.5630 12.6287 12.6287 12.7291 12.7291 13.1069 13.1069 13.2499 13.2499 k = 0.1739-0.0000 0.2754 ( 3540 PWs) bands (ev): -1.6243 -1.6243 -1.6238 -1.6238 2.2541 2.2541 2.2590 2.2590 5.1666 5.1666 5.1722 5.1722 6.3423 6.3423 6.3631 6.3631 7.0474 7.0474 7.1001 7.1001 7.4156 7.4156 7.4351 7.4351 7.8224 7.8224 7.8882 7.8882 8.0206 8.0206 8.0857 8.0857 8.9829 8.9829 8.9838 8.9838 9.4241 9.4241 9.4917 9.4917 12.6164 12.6164 12.7547 12.7547 13.0445 13.0445 13.1507 13.1507 k = 0.1848-0.0000 0.2754 ( 3544 PWs) bands (ev): -1.5793 -1.5793 -1.5788 -1.5788 2.2666 2.2666 2.2720 2.2720 5.2066 5.2066 5.2147 5.2147 6.3326 6.3326 6.3547 6.3547 7.0215 7.0215 7.0726 7.0726 7.3635 7.3635 7.3853 7.3853 7.8247 7.8247 7.8867 7.8867 8.0178 8.0178 8.0808 8.0808 8.9840 8.9840 8.9842 8.9842 9.3621 9.3621 9.4273 9.4273 12.5723 12.5723 12.7582 12.7582 12.9894 12.9894 13.0264 13.0264 k = 0.1957-0.0000 0.2754 ( 3544 PWs) bands (ev): -1.5319 -1.5319 -1.5313 -1.5313 2.2787 2.2787 2.2847 2.2847 5.2478 5.2478 5.2592 5.2592 6.3143 6.3143 6.3366 6.3366 6.9947 6.9947 7.0416 7.0416 7.3204 7.3204 7.3417 7.3417 7.8270 7.8270 7.8844 7.8844 8.0164 8.0164 8.0764 8.0764 8.9834 8.9834 8.9851 8.9851 9.3073 9.3073 9.3695 9.3695 12.4911 12.4911 12.7030 12.7030 12.9414 12.9414 12.9512 12.9512 k = 0.2065-0.0000 0.2754 ( 3540 PWs) bands (ev): -1.4819 -1.4819 -1.4814 -1.4814 2.2902 2.2902 2.2967 2.2967 5.2897 5.2897 5.3056 5.3056 6.2857 6.2857 6.3062 6.3062 6.9685 6.9685 7.0095 7.0095 7.2883 7.2883 7.3067 7.3067 7.8289 7.8289 7.8811 7.8811 8.0163 8.0163 8.0724 8.0724 8.9814 8.9814 8.9855 8.9855 9.2592 9.2592 9.3174 9.3174 12.3795 12.3795 12.5772 12.5772 12.9161 12.9161 12.9270 12.9270 k = 0.2174-0.0000 0.2754 ( 3536 PWs) bands (ev): -1.4295 -1.4295 -1.4289 -1.4289 2.3007 2.3007 2.3079 2.3079 5.3315 5.3315 5.3535 5.3535 6.2463 6.2463 6.2618 6.2618 6.9449 6.9449 6.9801 6.9801 7.2670 7.2670 7.2808 7.2808 7.8303 7.8303 7.8766 7.8766 8.0172 8.0172 8.0687 8.0687 8.9778 8.9778 8.9851 8.9851 9.2173 9.2173 9.2706 9.2706 12.2493 12.2493 12.4235 12.4235 12.9073 12.9073 12.9087 12.9087 k = 0.2283-0.0000 0.2754 ( 3530 PWs) bands (ev): -1.3748 -1.3748 -1.3741 -1.3741 2.3100 2.3100 2.3178 2.3178 5.3718 5.3718 5.4028 5.4028 6.1972 6.1972 6.2035 6.2035 6.9255 6.9255 6.9565 6.9565 7.2547 7.2547 7.2638 7.2638 7.8308 7.8308 7.8711 7.8711 8.0187 8.0187 8.0652 8.0652 8.9719 8.9719 8.9838 8.9838 9.1814 9.1814 9.2284 9.2284 12.1090 12.1090 12.2631 12.2631 12.8846 12.8846 12.8974 12.8974 k = 0.2391-0.0000 0.2754 ( 3532 PWs) bands (ev): -1.3176 -1.3176 -1.3170 -1.3170 2.3178 2.3178 2.3263 2.3263 5.4088 5.4088 5.4525 5.4525 6.1332 6.1332 6.1415 6.1415 6.9113 6.9113 6.9402 6.9402 7.2498 7.2498 7.2549 7.2549 7.8306 7.8306 7.8648 7.8648 8.0203 8.0203 8.0618 8.0618 8.9631 8.9631 8.9811 8.9811 9.1513 9.1513 9.1905 9.1905 11.9641 11.9641 12.1023 12.1023 12.8543 12.8543 12.8758 12.8758 k = 0.2500-0.0000 0.2754 ( 3536 PWs) bands (ev): -1.2583 -1.2583 -1.2576 -1.2576 2.3236 2.3236 2.3328 2.3328 5.4392 5.4392 5.5016 5.5016 6.0548 6.0548 6.0848 6.0848 6.9018 6.9018 6.9309 6.9309 7.2511 7.2511 7.2531 7.2531 7.8296 7.8296 7.8579 7.8579 8.0216 8.0216 8.0583 8.0583 8.9507 8.9507 8.9766 8.9766 9.1269 9.1269 9.1567 9.1567 11.8178 11.8178 11.9434 11.9434 12.8143 12.8143 12.8421 12.8421 k = 0.2609-0.0000 0.2754 ( 3540 PWs) bands (ev): -1.1967 -1.1967 -1.1960 -1.1960 2.3271 2.3271 2.3371 2.3371 5.4581 5.4581 5.5472 5.5472 5.9741 5.9741 6.0346 6.0346 6.8963 6.8963 6.9273 6.9273 7.2574 7.2574 7.2576 7.2576 7.8279 7.8279 7.8505 7.8505 8.0225 8.0225 8.0545 8.0545 8.9347 8.9347 8.9697 8.9697 9.1076 9.1076 9.1269 9.1269 11.6723 11.6723 11.7877 11.7877 12.7644 12.7644 12.7970 12.7970 k = 0.2717-0.0000 0.2754 ( 3542 PWs) bands (ev): -1.1330 -1.1330 -1.1323 -1.1323 2.3280 2.3280 2.3387 2.3387 5.4592 5.4592 5.5822 5.5822 5.9013 5.9013 5.9998 5.9998 6.8938 6.8938 6.9281 6.9281 7.2671 7.2671 7.2685 7.2685 7.8257 7.8257 7.8430 7.8430 8.0224 8.0224 8.0503 8.0503 8.9152 8.9152 8.9595 8.9595 9.0928 9.0928 9.1014 9.1014 11.5288 11.5288 11.6359 11.6359 12.7055 12.7055 12.7418 12.7418 k = 0.2826-0.0000 0.2754 ( 3542 PWs) bands (ev): -1.0674 -1.0674 -1.0666 -1.0666 2.3257 2.3257 2.3372 2.3372 5.4379 5.4379 5.5898 5.5898 5.8554 5.8554 5.9872 5.9872 6.8937 6.8937 6.9321 6.9321 7.2814 7.2814 7.2834 7.2834 7.8229 7.8229 7.8354 7.8354 8.0213 8.0213 8.0456 8.0456 8.8927 8.8927 8.9453 8.9453 9.0803 9.0803 9.0813 9.0813 11.3886 11.3886 11.4887 11.4887 12.6389 12.6389 12.6786 12.6786 k = 0.2935-0.0000 0.2754 ( 3550 PWs) bands (ev): -0.9998 -0.9998 -0.9990 -0.9990 2.3200 2.3200 2.3323 2.3323 5.3949 5.3949 5.5533 5.5533 5.8554 5.8554 5.9980 5.9980 6.8952 6.8952 6.9383 6.9383 7.2995 7.2995 7.3014 7.3014 7.8197 7.8197 7.8277 7.8277 8.0189 8.0189 8.0400 8.0400 8.8679 8.8679 8.9267 8.9267 9.0638 9.0638 9.0723 9.0723 11.2522 11.2522 11.3465 11.3465 12.5662 12.5662 12.6091 12.6091 k = 0.3043-0.0000 0.2754 ( 3554 PWs) bands (ev): -0.9305 -0.9305 -0.9297 -0.9297 2.3103 2.3103 2.3234 2.3234 5.3362 5.3362 5.4852 5.4852 5.8901 5.8901 6.0276 6.0276 6.8981 6.8981 6.9464 6.9464 7.3206 7.3206 7.3221 7.3221 7.8161 7.8161 7.8202 7.8202 8.0151 8.0151 8.0337 8.0337 8.8412 8.8412 8.9041 8.9041 9.0510 9.0510 9.0646 9.0646 11.1204 11.1204 11.2097 11.2097 12.4892 12.4892 12.5350 12.5350 k = 0.3152-0.0000 0.2754 ( 3554 PWs) bands (ev): -0.8596 -0.8596 -0.8588 -0.8588 2.2964 2.2964 2.3102 2.3102 5.2688 5.2688 5.4055 5.4055 5.9408 5.9408 6.0704 6.0704 6.9023 6.9023 6.9559 6.9559 7.3441 7.3441 7.3446 7.3446 7.8123 7.8123 7.8128 7.8128 8.0098 8.0098 8.0266 8.0266 8.8131 8.8131 8.8782 8.8782 9.0411 9.0411 9.0579 9.0579 10.9938 10.9938 11.0787 11.0787 12.4093 12.4093 12.4580 12.4580 k = 0.3261-0.0000 0.2754 ( 3546 PWs) bands (ev): -0.7874 -0.7874 -0.7865 -0.7865 2.2780 2.2780 2.2925 2.2925 5.1981 5.1981 5.3240 5.3240 5.9988 5.9988 6.1220 6.1220 6.9075 6.9075 6.9667 6.9667 7.3684 7.3684 7.3693 7.3693 7.8057 7.8057 7.8080 7.8080 8.0030 8.0030 8.0187 8.0187 8.7839 8.7839 8.8496 8.8496 9.0331 9.0331 9.0515 9.0515 10.8727 10.8727 10.9538 10.9538 12.3279 12.3279 12.3795 12.3795 k = 0.3370-0.0000 0.2754 ( 3542 PWs) bands (ev): -0.7139 -0.7139 -0.7131 -0.7131 2.2547 2.2547 2.2699 2.2699 5.1276 5.1276 5.2447 5.2447 6.0604 6.0604 6.1793 6.1793 6.9139 6.9139 6.9786 6.9786 7.3928 7.3928 7.3953 7.3953 7.7988 7.7988 7.8033 7.8033 7.9946 7.9946 8.0103 8.0103 8.7537 8.7537 8.8189 8.8189 9.0263 9.0263 9.0452 9.0452 10.7575 10.7575 10.8354 10.8354 12.2464 12.2464 12.3007 12.3007 k = 0.3478-0.0000 0.2754 ( 3538 PWs) bands (ev): -0.6395 -0.6395 -0.6386 -0.6386 2.2266 2.2266 2.2424 2.2424 5.0597 5.0597 5.1699 5.1699 6.1241 6.1241 6.2404 6.2404 6.9214 6.9214 6.9916 6.9916 7.4171 7.4171 7.4216 7.4216 7.7922 7.7922 7.7979 7.7979 7.9847 7.9847 8.0015 8.0015 8.7228 8.7228 8.7864 8.7864 9.0203 9.0203 9.0388 9.0388 10.6488 10.6488 10.7237 10.7237 12.1658 12.1658 12.2228 12.2228 k = 0.3587-0.0000 0.2754 ( 3536 PWs) bands (ev): -0.5644 -0.5644 -0.5636 -0.5636 2.1937 2.1937 2.2100 2.2100 4.9960 4.9960 5.1006 5.1006 6.1889 6.1889 6.3041 6.3041 6.9301 6.9301 7.0055 7.0055 7.4408 7.4408 7.4475 7.4475 7.7857 7.7857 7.7915 7.7915 7.9735 7.9735 7.9926 7.9926 8.6913 8.6913 8.7525 8.7525 9.0149 9.0149 9.0323 9.0323 10.5466 10.5466 10.6190 10.6190 12.0872 12.0872 12.1468 12.1468 k = 0.3696-0.0000 0.2754 ( 3532 PWs) bands (ev): -0.4891 -0.4891 -0.4883 -0.4883 2.1562 2.1562 2.1728 2.1728 4.9375 4.9375 5.0374 5.0374 6.2543 6.2543 6.3692 6.3692 6.9400 6.9400 7.0202 7.0202 7.4632 7.4632 7.4723 7.4723 7.7793 7.7793 7.7840 7.7840 7.9612 7.9612 7.9841 7.9841 8.6597 8.6597 8.7175 8.7175 9.0100 9.0100 9.0255 9.0255 10.4513 10.4513 10.5215 10.5215 12.0115 12.0115 12.0735 12.0735 k = 0.3804-0.0000 0.2754 ( 3532 PWs) bands (ev): -0.4139 -0.4139 -0.4132 -0.4132 2.1144 2.1144 2.1314 2.1314 4.8846 4.8846 4.9806 4.9806 6.3198 6.3198 6.4349 6.4349 6.9511 6.9511 7.0352 7.0352 7.4841 7.4841 7.4954 7.4954 7.7727 7.7727 7.7751 7.7751 7.9482 7.9482 7.9763 7.9763 8.6281 8.6281 8.6818 8.6818 9.0053 9.0053 9.0184 9.0184 10.3631 10.3631 10.4313 10.4313 11.9395 11.9395 12.0038 12.0038 k = 0.3913-0.0000 0.2754 ( 3534 PWs) bands (ev): -0.3394 -0.3394 -0.3387 -0.3387 2.0690 2.0690 2.0862 2.0862 4.8376 4.8376 4.9303 4.9303 6.3849 6.3849 6.5005 6.5005 6.9633 6.9633 7.0500 7.0500 7.5031 7.5031 7.5162 7.5162 7.7647 7.7647 7.7658 7.7658 7.9349 7.9349 7.9692 7.9692 8.5972 8.5972 8.6458 8.6458 9.0011 9.0011 9.0112 9.0112 10.2821 10.2821 10.3487 10.3487 11.8718 11.8718 11.9383 11.9383 k = 0.4022-0.0000 0.2754 ( 3534 PWs) bands (ev): -0.2663 -0.2663 -0.2656 -0.2656 2.0208 2.0208 2.0381 2.0381 4.7965 4.7965 4.8864 4.8864 6.4492 6.4492 6.5650 6.5650 6.9767 6.9767 7.0642 7.0642 7.5203 7.5203 7.5345 7.5345 7.7529 7.7529 7.7581 7.7581 7.9218 7.9218 7.9628 7.9628 8.5674 8.5674 8.6100 8.6100 8.9972 8.9972 9.0038 9.0038 10.2086 10.2086 10.2738 10.2738 11.8091 11.8091 11.8776 11.8776 k = 0.4130-0.0000 0.2754 ( 3530 PWs) bands (ev): -0.1952 -0.1952 -0.1947 -0.1947 1.9708 1.9708 1.9882 1.9882 4.7612 4.7612 4.8486 4.8486 6.5122 6.5122 6.6275 6.6275 6.9910 6.9910 7.0767 7.0767 7.5358 7.5358 7.5498 7.5498 7.7402 7.7402 7.7493 7.7493 7.9095 7.9095 7.9566 7.9566 8.5395 8.5395 8.5752 8.5752 8.9936 8.9936 8.9965 8.9965 10.1426 10.1426 10.2066 10.2066 11.7518 11.7518 11.8221 11.8221 k = 0.4239-0.0000 0.2754 ( 3530 PWs) bands (ev): -0.1272 -0.1272 -0.1268 -0.1268 1.9203 1.9203 1.9377 1.9377 4.7312 4.7312 4.8166 4.8166 6.5736 6.5736 6.6871 6.6871 7.0060 7.0060 7.0864 7.0864 7.5499 7.5499 7.5623 7.5623 7.7273 7.7273 7.7392 7.7392 7.8983 7.8983 7.9499 7.9499 8.5141 8.5141 8.5421 8.5421 8.9893 8.9893 8.9905 8.9905 10.0841 10.0841 10.1472 10.1472 11.7004 11.7004 11.7724 11.7724 k = 0.4348-0.0000 0.2754 ( 3536 PWs) bands (ev): -0.0635 -0.0635 -0.0631 -0.0631 1.8707 1.8707 1.8881 1.8881 4.7064 4.7064 4.7900 4.7900 6.6327 6.6327 6.7425 6.7425 7.0216 7.0216 7.0921 7.0921 7.5635 7.5635 7.5720 7.5720 7.7146 7.7146 7.7275 7.7275 7.8884 7.8884 7.9420 7.9420 8.4919 8.4919 8.5116 8.5116 8.9824 8.9824 8.9879 8.9879 10.0333 10.0333 10.0955 10.0955 11.6552 11.6552 11.7286 11.7286 k = 0.4457-0.0000 0.2754 ( 3532 PWs) bands (ev): -0.0052 -0.0052 -0.0050 -0.0050 1.8237 1.8237 1.8412 1.8412 4.6862 4.6862 4.7684 4.7684 6.6891 6.6891 6.7924 6.7924 7.0373 7.0373 7.0929 7.0929 7.5770 7.5770 7.5794 7.5794 7.7030 7.7030 7.7147 7.7147 7.8800 7.8800 7.9327 7.9327 8.4733 8.4733 8.4844 8.4844 8.9761 8.9761 8.9856 8.9856 9.9903 9.9903 10.0518 10.0518 11.6165 11.6165 11.6912 11.6912 k = 0.4565-0.0000 0.2754 ( 3534 PWs) bands (ev): 0.0459 0.0459 0.0460 0.0460 1.7813 1.7813 1.7988 1.7988 4.6704 4.6704 4.7513 4.7513 6.7418 6.7418 6.8354 6.8354 7.0527 7.0527 7.0882 7.0882 7.5851 7.5851 7.5911 7.5911 7.6925 7.6925 7.7011 7.7011 7.8728 7.8728 7.9220 7.9220 8.4585 8.4585 8.4612 8.4612 8.9705 8.9705 8.9838 8.9838 9.9550 9.9550 10.0159 10.0159 11.5846 11.5846 11.6603 11.6603 k = 0.4674-0.0000 0.2754 ( 3538 PWs) bands (ev): 0.0882 0.0882 0.0883 0.0883 1.7453 1.7453 1.7629 1.7629 4.6584 4.6584 4.7385 4.7385 6.7896 6.7896 6.8701 6.8701 7.0668 7.0668 7.0782 7.0782 7.5897 7.5897 7.6057 7.6057 7.6829 7.6829 7.6877 7.6877 7.8670 7.8670 7.9107 7.9107 8.4428 8.4428 8.4475 8.4475 8.9658 8.9658 8.9824 8.9824 9.9275 9.9275 9.9879 9.9879 11.5596 11.5596 11.6362 11.6362 k = 0.4783-0.0000 0.2754 ( 3526 PWs) bands (ev): 0.1199 0.1199 0.1201 0.1201 1.7179 1.7179 1.7356 1.7356 4.6502 4.6502 4.7295 4.7295 6.8301 6.8301 6.8955 6.8955 7.0648 7.0648 7.0785 7.0785 7.5937 7.5937 7.6202 7.6202 7.6740 7.6740 7.6758 7.6758 7.8627 7.8627 7.9005 7.9005 8.4295 8.4295 8.4402 8.4402 8.9624 8.9624 8.9815 8.9815 9.9078 9.9078 9.9680 9.9680 11.5417 11.5417 11.6188 11.6188 k = 0.4891-0.0000 0.2754 ( 3522 PWs) bands (ev): 0.1397 0.1397 0.1399 0.1399 1.7007 1.7007 1.7184 1.7184 4.6453 4.6453 4.7243 4.7243 6.8591 6.8591 6.9109 6.9109 7.0521 7.0521 7.0864 7.0864 7.5968 7.5968 7.6332 7.6332 7.6656 7.6656 7.6673 7.6673 7.8600 7.8600 7.8931 7.8931 8.4214 8.4214 8.4360 8.4360 8.9602 8.9602 8.9809 8.9809 9.8960 9.8960 9.9560 9.9560 11.5309 11.5309 11.6084 11.6084 k = 0.5000-0.0000 0.2754 ( 3528 PWs) bands (ev): 0.1464 0.1464 0.1467 0.1467 1.6948 1.6948 1.7125 1.7125 4.6437 4.6437 4.7225 4.7225 6.8700 6.8700 6.9161 6.9161 7.0465 7.0465 7.0891 7.0891 7.5980 7.5980 7.6398 7.6398 7.6606 7.6606 7.6641 7.6641 7.8590 7.8590 7.8904 7.8904 8.4186 8.4186 8.4344 8.4344 8.9595 8.9595 8.9807 8.9807 9.8921 9.8921 9.9520 9.9520 11.5273 11.5273 11.6049 11.6049 k = 0.5000-0.0000 0.2754 ( 3528 PWs) bands (ev): 0.1464 0.1464 0.1467 0.1467 1.6948 1.6948 1.7125 1.7125 4.6437 4.6437 4.7225 4.7225 6.8700 6.8700 6.9161 6.9161 7.0465 7.0465 7.0891 7.0891 7.5980 7.5980 7.6398 7.6398 7.6606 7.6606 7.6641 7.6641 7.8590 7.8590 7.8904 7.8904 8.4186 8.4186 8.4344 8.4344 8.9595 8.9595 8.9807 8.9807 9.8921 9.8921 9.9520 9.9520 11.5273 11.5273 11.6049 11.6049 k = 0.5000 0.0108 0.2754 ( 3524 PWs) bands (ev): 0.1474 0.1474 0.1477 0.1477 1.6951 1.6951 1.7128 1.7128 4.6400 4.6400 4.7185 4.7185 6.8653 6.8653 6.9091 6.9091 7.0495 7.0495 7.0909 7.0909 7.5740 7.5740 7.5882 7.5882 7.6889 7.6889 7.7100 7.7100 7.8603 7.8603 7.8918 7.8918 8.4187 8.4187 8.4345 8.4345 8.9600 8.9600 8.9819 8.9819 9.8974 9.8974 9.9567 9.9567 11.5348 11.5348 11.6125 11.6125 k = 0.5000 0.0217 0.2754 ( 3524 PWs) bands (ev): 0.1505 0.1505 0.1508 0.1508 1.6961 1.6961 1.7138 1.7138 4.6292 4.6292 4.7065 4.7065 6.8510 6.8510 6.8884 6.8884 7.0579 7.0579 7.0957 7.0957 7.5272 7.5272 7.5349 7.5349 7.7305 7.7305 7.7645 7.7645 7.8641 7.8641 7.8962 7.8962 8.4191 8.4191 8.4345 8.4345 8.9619 8.9619 8.9857 8.9857 9.9133 9.9133 9.9709 9.9709 11.5574 11.5574 11.6352 11.6352 k = 0.5000 0.0325 0.2754 ( 3524 PWs) bands (ev): 0.1556 0.1556 0.1559 0.1559 1.6978 1.6978 1.7154 1.7154 4.6116 4.6116 4.6870 4.6870 6.8270 6.8270 6.8549 6.8549 7.0710 7.0710 7.1022 7.1022 7.4678 7.4678 7.4976 7.4976 7.7719 7.7719 7.8127 7.8127 7.8710 7.8710 7.9048 7.9048 8.4198 8.4198 8.4346 8.4346 8.9653 8.9653 8.9923 8.9923 9.9396 9.9396 9.9943 9.9943 11.5945 11.5945 11.6726 11.6726 k = 0.5000 0.0433 0.2754 ( 3528 PWs) bands (ev): 0.1628 0.1628 0.1631 0.1631 1.7000 1.7000 1.7176 1.7176 4.5878 4.5878 4.6606 4.6606 6.7926 6.7926 6.8092 6.8092 7.0876 7.0876 7.1091 7.1091 7.4123 7.4123 7.4657 7.4657 7.8083 7.8083 7.8507 7.8507 7.8826 7.8826 7.9206 7.9206 8.4206 8.4206 8.4347 8.4347 8.9709 8.9709 9.0019 9.0019 9.9758 9.9758 10.0268 10.0268 11.6457 11.6457 11.7242 11.7242 k = 0.5000 0.0542 0.2754 ( 3524 PWs) bands (ev): 0.1719 0.1719 0.1723 0.1723 1.7027 1.7027 1.7203 1.7203 4.5583 4.5583 4.6282 4.6282 6.7473 6.7473 6.7522 6.7522 7.1067 7.1067 7.1157 7.1157 7.3628 7.3628 7.4404 7.4404 7.8358 7.8358 7.8754 7.8754 7.9014 7.9014 7.9461 7.9461 8.4217 8.4217 8.4348 8.4348 8.9792 8.9792 9.0151 9.0151 10.0215 10.0215 10.0680 10.0680 11.7100 11.7100 11.7892 11.7892 k = 0.5000 0.0650 0.2754 ( 3520 PWs) bands (ev): 0.1831 0.1831 0.1835 0.1835 1.7057 1.7057 1.7232 1.7232 4.5240 4.5240 4.5906 4.5906 6.6850 6.6850 6.6906 6.6906 7.1216 7.1216 7.1277 7.1277 7.3206 7.3206 7.4218 7.4218 7.8538 7.8538 7.8907 7.8907 7.9271 7.9271 7.9768 7.9768 8.4229 8.4229 8.4348 8.4348 8.9909 8.9909 9.0321 9.0321 10.0760 10.0760 10.1176 10.1176 11.7865 11.7865 11.8667 11.8667 k = 0.5000 0.0758 0.2754 ( 3520 PWs) bands (ev): 0.1962 0.1962 0.1967 0.1967 1.7090 1.7090 1.7264 1.7264 4.4858 4.4858 4.5489 4.5489 6.6088 6.6088 6.6230 6.6230 7.1267 7.1267 7.1495 7.1495 7.2862 7.2862 7.4095 7.4095 7.8658 7.8658 7.9020 7.9020 7.9555 7.9555 8.0071 8.0071 8.4242 8.4242 8.4349 8.4349 9.0066 9.0066 9.0534 9.0534 10.1389 10.1389 10.1751 10.1751 11.8739 11.8739 11.9555 11.9555 k = 0.5000 0.0866 0.2754 ( 3516 PWs) bands (ev): 0.2113 0.2113 0.2118 0.2118 1.7123 1.7123 1.7296 1.7296 4.4447 4.4447 4.5042 4.5042 6.5252 6.5252 6.5457 6.5457 7.1309 7.1309 7.1715 7.1715 7.2592 7.2592 7.4022 7.4022 7.8750 7.8750 7.9116 7.9116 7.9832 7.9832 8.0343 8.0343 8.4255 8.4255 8.4349 8.4349 9.0269 9.0269 9.0793 9.0793 10.2096 10.2096 10.2402 10.2402 11.9709 11.9709 12.0545 12.0545 k = 0.5000 0.0975 0.2754 ( 3520 PWs) bands (ev): 0.2282 0.2282 0.2288 0.2288 1.7155 1.7155 1.7327 1.7327 4.4017 4.4017 4.4575 4.4575 6.4357 6.4357 6.4603 6.4603 7.1343 7.1343 7.1924 7.1924 7.2392 7.2392 7.3988 7.3988 7.8825 7.8825 7.9204 7.9204 8.0086 8.0086 8.0577 8.0577 8.4269 8.4269 8.4348 8.4348 9.0521 9.0521 9.1097 9.1097 10.2874 10.2874 10.3124 10.3124 12.0760 12.0760 12.1621 12.1621 k = 0.5000 0.1083 0.2754 ( 3532 PWs) bands (ev): 0.2470 0.2470 0.2476 0.2476 1.7183 1.7183 1.7353 1.7353 4.3576 4.3576 4.4098 4.4098 6.3415 6.3415 6.3687 6.3687 7.1371 7.1371 7.2066 7.2066 7.2303 7.2303 7.3983 7.3983 7.8888 7.8888 7.9282 7.9282 8.0313 8.0313 8.0772 8.0772 8.4282 8.4282 8.4347 8.4347 9.0822 9.0822 9.1448 9.1448 10.3717 10.3717 10.3912 10.3912 12.1871 12.1871 12.2768 12.2768 k = 0.5000 0.1191 0.2754 ( 3528 PWs) bands (ev): 0.2676 0.2676 0.2683 0.2683 1.7205 1.7205 1.7374 1.7374 4.3135 4.3135 4.3622 4.3622 6.2440 6.2440 6.2723 6.2723 7.1395 7.1395 7.2027 7.2027 7.2426 7.2426 7.3998 7.3998 7.8941 7.8941 7.9354 7.9354 8.0512 8.0512 8.0932 8.0932 8.4295 8.4295 8.4346 8.4346 9.1175 9.1175 9.1844 9.1844 10.4621 10.4621 10.4762 10.4762 12.3021 12.3021 12.3967 12.3967 k = 0.5000 0.1300 0.2754 ( 3532 PWs) bands (ev): 0.2899 0.2899 0.2906 0.2906 1.7219 1.7219 1.7385 1.7385 4.2703 4.2703 4.3155 4.3155 6.1439 6.1439 6.1725 6.1725 7.1416 7.1416 7.1945 7.1945 7.2609 7.2609 7.4026 7.4026 7.8986 7.8986 7.9416 7.9416 8.0683 8.0683 8.1059 8.1059 8.4307 8.4307 8.4346 8.4346 9.1576 9.1576 9.2282 9.2282 10.5577 10.5577 10.5666 10.5666 12.4181 12.4181 12.5191 12.5191 k = 0.5000 0.1408 0.2754 ( 3532 PWs) bands (ev): 0.3139 0.3139 0.3146 0.3146 1.7223 1.7223 1.7385 1.7385 4.2288 4.2288 4.2707 4.2707 6.0422 6.0422 6.0704 6.0704 7.1435 7.1435 7.1876 7.1876 7.2790 7.2790 7.4062 7.4062 7.9023 7.9023 7.9470 7.9470 8.0827 8.0827 8.1157 8.1157 8.4317 8.4317 8.4344 8.4344 9.2023 9.2023 9.2759 9.2759 10.6580 10.6580 10.6619 10.6619 12.5310 12.5310 12.6405 12.6405 k = 0.5000 0.1516 0.2754 ( 3544 PWs) bands (ev): 0.3394 0.3394 0.3402 0.3402 1.7212 1.7212 1.7371 1.7371 4.1899 4.1899 4.2285 4.2285 5.9396 5.9396 5.9670 5.9670 7.1451 7.1451 7.1820 7.1820 7.2962 7.2962 7.4101 7.4101 7.9053 7.9053 7.9514 7.9514 8.0947 8.0947 8.1230 8.1230 8.4326 8.4326 8.4343 8.4343 9.2511 9.2511 9.3270 9.3270 10.7614 10.7614 10.7622 10.7622 12.6352 12.6352 12.7552 12.7552 k = 0.5000 0.1625 0.2754 ( 3544 PWs) bands (ev): 0.3663 0.3663 0.3672 0.3672 1.7186 1.7186 1.7340 1.7340 4.1543 4.1543 4.1899 4.1899 5.8366 5.8366 5.8630 5.8630 7.1468 7.1468 7.1777 7.1777 7.3122 7.3122 7.4142 7.4142 7.9080 7.9080 7.9550 7.9550 8.1044 8.1044 8.1282 8.1282 8.4333 8.4333 8.4341 8.4341 9.3037 9.3037 9.3810 9.3810 10.8644 10.8644 10.8697 10.8697 12.7229 12.7229 12.8531 12.8531 k = 0.5000 0.1733 0.2754 ( 3544 PWs) bands (ev): 0.3945 0.3945 0.3955 0.3955 1.7141 1.7141 1.7290 1.7290 4.1228 4.1228 4.1554 4.1554 5.7339 5.7339 5.7590 5.7590 7.1483 7.1483 7.1744 7.1744 7.3269 7.3269 7.4182 7.4182 7.9103 7.9103 7.9579 7.9579 8.1122 8.1122 8.1316 8.1316 8.4339 8.4339 8.4340 8.4340 9.3594 9.3594 9.4375 9.4375 10.9698 10.9698 10.9796 10.9796 12.7843 12.7843 12.9179 12.9179 k = 0.5000 0.1841 0.2754 ( 3544 PWs) bands (ev): 0.4239 0.4239 0.4250 0.4250 1.7076 1.7076 1.7220 1.7220 4.0959 4.0959 4.1256 4.1256 5.6319 5.6319 5.6556 5.6556 7.1498 7.1498 7.1718 7.1718 7.3404 7.3404 7.4219 7.4219 7.9125 7.9125 7.9601 7.9601 8.1181 8.1181 8.1335 8.1335 8.4339 8.4339 8.4344 8.4344 9.4176 9.4176 9.4958 9.4958 11.0769 11.0769 11.0910 11.0910 12.8118 12.8118 12.9340 12.9340 k = 0.5000 0.1949 0.2754 ( 3536 PWs) bands (ev): 0.4543 0.4543 0.4555 0.4555 1.6990 1.6990 1.7127 1.7127 4.0742 4.0742 4.1012 4.1012 5.5310 5.5310 5.5532 5.5532 7.1513 7.1513 7.1699 7.1699 7.3527 7.3527 7.4254 7.4254 7.9147 7.9147 7.9617 7.9617 8.1224 8.1224 8.1342 8.1342 8.4337 8.4337 8.4348 8.4348 9.4779 9.4779 9.5555 9.5555 11.1843 11.1843 11.2029 11.2029 12.8059 12.8059 12.9066 12.9066 k = 0.5000 0.2058 0.2754 ( 3536 PWs) bands (ev): 0.4855 0.4855 0.4867 0.4867 1.6882 1.6882 1.7012 1.7012 4.0582 4.0582 4.0824 4.0824 5.4316 5.4316 5.4524 5.4524 7.1527 7.1527 7.1685 7.1685 7.3639 7.3639 7.4285 7.4285 7.9170 7.9170 7.9630 7.9630 8.1253 8.1253 8.1338 8.1338 8.4336 8.4336 8.4350 8.4350 9.5396 9.5396 9.6159 9.6159 11.2908 11.2908 11.3140 11.3140 12.7751 12.7751 12.8556 12.8556 k = 0.5000 0.2166 0.2754 ( 3532 PWs) bands (ev): 0.5173 0.5173 0.5186 0.5186 1.6752 1.6752 1.6874 1.6874 4.0480 4.0480 4.0697 4.0697 5.3343 5.3343 5.3535 5.3535 7.1541 7.1541 7.1674 7.1674 7.3740 7.3740 7.4311 7.4311 7.9195 7.9195 7.9639 7.9639 8.1271 8.1271 8.1327 8.1327 8.4335 8.4335 8.4351 8.4351 9.6020 9.6020 9.6764 9.6764 11.3946 11.3946 11.4228 11.4228 12.7300 12.7300 12.7961 12.7961 k = 0.5000 0.2274 0.2754 ( 3532 PWs) bands (ev): 0.5493 0.5493 0.5506 0.5506 1.6602 1.6602 1.6716 1.6716 4.0440 4.0440 4.0631 4.0631 5.2392 5.2392 5.2569 5.2569 7.1554 7.1554 7.1667 7.1667 7.3830 7.3830 7.4333 7.4333 7.9222 7.9222 7.9646 7.9646 8.1277 8.1277 8.1309 8.1309 8.4334 8.4334 8.4351 8.4351 9.6646 9.6646 9.7362 9.7362 11.4936 11.4936 11.5271 11.5271 12.6798 12.6798 12.7371 12.7371 k = 0.5000 0.2383 0.2754 ( 3540 PWs) bands (ev): 0.5812 0.5812 0.5825 0.5825 1.6435 1.6435 1.6540 1.6540 4.0462 4.0462 4.0628 4.0628 5.1468 5.1468 5.1630 5.1630 7.1567 7.1567 7.1661 7.1661 7.3911 7.3911 7.4350 7.4350 7.9251 7.9251 7.9650 7.9650 8.1275 8.1275 8.1286 8.1286 8.4333 8.4333 8.4351 8.4351 9.7265 9.7265 9.7947 9.7947 11.5851 11.5851 11.6241 11.6241 12.6320 12.6320 12.6849 12.6849 k = 0.5000 0.2491 0.2754 ( 3544 PWs) bands (ev): 0.6125 0.6125 0.6139 0.6139 1.6255 1.6255 1.6350 1.6350 4.0544 4.0544 4.0687 4.0687 5.0577 5.0577 5.0723 5.0723 7.1578 7.1578 7.1657 7.1657 7.3983 7.3983 7.4363 7.4363 7.9283 7.9283 7.9652 7.9652 8.1261 8.1261 8.1266 8.1266 8.4332 8.4332 8.4349 8.4349 9.7870 9.7870 9.8511 9.8511 11.6656 11.6656 11.7101 11.7101 12.5934 12.5934 12.6451 12.6451 k = 0.5000 0.2599 0.2754 ( 3532 PWs) bands (ev): 0.6429 0.6429 0.6443 0.6443 1.6067 1.6067 1.6151 1.6151 4.0684 4.0684 4.0805 4.0805 4.9722 4.9722 4.9852 4.9852 7.1590 7.1590 7.1655 7.1655 7.4047 7.4047 7.4371 7.4371 7.9319 7.9319 7.9655 7.9655 8.1234 8.1234 8.1252 8.1252 8.4332 8.4332 8.4348 8.4348 9.8451 9.8451 9.9043 9.9043 11.7315 11.7315 11.7803 11.7803 12.5707 12.5707 12.6227 12.6227 k = 0.5000 0.2708 0.2754 ( 3532 PWs) bands (ev): 0.6717 0.6717 0.6730 0.6730 1.5877 1.5877 1.5951 1.5951 4.0877 4.0877 4.0977 4.0977 4.8910 4.8910 4.9024 4.9024 7.1600 7.1600 7.1653 7.1653 7.4103 7.4103 7.4376 7.4376 7.9356 7.9356 7.9653 7.9653 8.1208 8.1208 8.1234 8.1234 8.4332 8.4332 8.4347 8.4347 9.8999 9.8999 9.9533 9.9533 11.7796 11.7796 11.8301 11.8301 12.5700 12.5700 12.6218 12.6218 k = 0.5000 0.2816 0.2754 ( 3528 PWs) bands (ev): 0.6981 0.6981 0.6994 0.6994 1.5693 1.5693 1.5757 1.5757 4.1117 4.1117 4.1196 4.1196 4.8149 4.8149 4.8247 4.8247 7.1610 7.1610 7.1652 7.1652 7.4153 7.4153 7.4376 7.4376 7.9394 7.9394 7.9650 7.9650 8.1184 8.1184 8.1214 8.1214 8.4332 8.4332 8.4345 8.4345 9.9503 9.9503 9.9969 9.9969 11.8096 11.8096 11.8577 11.8577 12.5942 12.5942 12.6438 12.6438 k = 0.5000 0.2924 0.2754 ( 3528 PWs) bands (ev): 0.7215 0.7215 0.7227 0.7227 1.5525 1.5525 1.5577 1.5577 4.1390 4.1390 4.1450 4.1450 4.7453 4.7453 4.7534 4.7534 7.1618 7.1618 7.1651 7.1651 7.4197 7.4197 7.4372 7.4372 7.9432 7.9432 7.9643 7.9643 8.1164 8.1164 8.1193 8.1193 8.4333 8.4333 8.4344 8.4344 9.9950 9.9950 10.0339 10.0339 11.8243 11.8243 11.8663 11.8663 12.6412 12.6412 12.6864 12.6864 k = 0.5000 0.3033 0.2754 ( 3544 PWs) bands (ev): 0.7410 0.7410 0.7419 0.7419 1.5383 1.5383 1.5422 1.5422 4.1678 4.1678 4.1719 4.1719 4.6839 4.6839 4.6903 4.6903 7.1625 7.1625 7.1649 7.1649 7.4233 7.4233 7.4363 7.4363 7.9470 7.9470 7.9631 7.9631 8.1147 8.1147 8.1173 8.1173 8.4333 8.4333 8.4341 8.4341 10.0329 10.0329 10.0630 10.0630 11.8291 11.8291 11.8622 11.8622 12.7049 12.7049 12.7444 12.7444 k = 0.5000 0.3141 0.2754 ( 3544 PWs) bands (ev): 0.7558 0.7558 0.7564 0.7564 1.5274 1.5274 1.5301 1.5301 4.1948 4.1948 4.1974 4.1974 4.6342 4.6342 4.6386 4.6386 7.1631 7.1631 7.1646 7.1646 7.4266 7.4266 7.4352 7.4352 7.9506 7.9506 7.9615 7.9615 8.1137 8.1137 8.1156 8.1156 8.4334 8.4334 8.4339 8.4339 10.0626 10.0626 10.0832 10.0832 11.8298 11.8298 11.8525 11.8525 12.7778 12.7778 12.8109 12.8109 k = 0.5000 0.3249 0.2754 ( 3544 PWs) bands (ev): 0.7650 0.7650 0.7654 0.7654 1.5208 1.5208 1.5222 1.5222 4.2152 4.2152 4.2164 4.2164 4.6008 4.6008 4.6031 4.6031 7.1636 7.1636 7.1644 7.1644 7.4294 7.4294 7.4337 7.4337 7.9539 7.9539 7.9594 7.9594 8.1133 8.1133 8.1143 8.1143 8.4335 8.4335 8.4337 8.4337 10.0831 10.0831 10.0936 10.0936 11.8307 11.8307 11.8422 11.8422 12.8507 12.8507 12.8744 12.8744 k = 0.5000 0.3357 0.2754 ( 3544 PWs) bands (ev): 0.7683 0.7683 0.7683 0.7683 1.5190 1.5190 1.5190 1.5190 4.2234 4.2234 4.2234 4.2234 4.5895 4.5895 4.5895 4.5895 7.1640 7.1640 7.1640 7.1640 7.4317 7.4317 7.4317 7.4317 7.9569 7.9569 7.9569 7.9569 8.1135 8.1135 8.1135 8.1135 8.4336 8.4336 8.4336 8.4336 10.0935 10.0935 10.0935 10.0935 11.8346 11.8346 11.8346 11.8346 12.8987 12.8987 12.8987 12.8987 k = 0.5000 0.3357 0.2754 ( 3544 PWs) bands (ev): 0.7683 0.7683 0.7683 0.7683 1.5190 1.5190 1.5190 1.5190 4.2234 4.2234 4.2234 4.2234 4.5895 4.5895 4.5895 4.5895 7.1640 7.1640 7.1640 7.1640 7.4317 7.4317 7.4317 7.4317 7.9569 7.9569 7.9569 7.9569 8.1135 8.1135 8.1135 8.1135 8.4336 8.4336 8.4336 8.4336 10.0935 10.0935 10.0935 10.0935 11.8346 11.8346 11.8346 11.8346 12.8987 12.8987 12.8987 12.8987 k = 0.4891 0.3357 0.2754 ( 3548 PWs) bands (ev): 0.7655 0.7655 0.7655 0.7655 1.5135 1.5135 1.5135 1.5135 4.2306 4.2306 4.2306 4.2306 4.5935 4.5935 4.5935 4.5935 7.1631 7.1631 7.1631 7.1631 7.4330 7.4330 7.4330 7.4330 7.9568 7.9568 7.9568 7.9568 8.1145 8.1145 8.1145 8.1145 8.4341 8.4341 8.4341 8.4341 10.0900 10.0900 10.0900 10.0900 11.8292 11.8292 11.8292 11.8292 12.9056 12.9056 12.9056 12.9056 k = 0.4783 0.3357 0.2754 ( 3540 PWs) bands (ev): 0.7574 0.7574 0.7574 0.7574 1.4973 1.4973 1.4973 1.4973 4.2521 4.2521 4.2521 4.2521 4.6055 4.6055 4.6055 4.6055 7.1605 7.1605 7.1605 7.1605 7.4368 7.4368 7.4368 7.4368 7.9563 7.9563 7.9563 7.9563 8.1175 8.1175 8.1175 8.1175 8.4358 8.4358 8.4358 8.4358 10.0795 10.0795 10.0795 10.0795 11.8136 11.8136 11.8136 11.8136 12.9256 12.9256 12.9256 12.9256 k = 0.4674 0.3357 0.2754 ( 3536 PWs) bands (ev): 0.7438 0.7438 0.7438 0.7438 1.4709 1.4709 1.4709 1.4709 4.2872 4.2872 4.2872 4.2872 4.6254 4.6254 4.6254 4.6254 7.1561 7.1561 7.1561 7.1561 7.4431 7.4431 7.4431 7.4431 7.9556 7.9556 7.9556 7.9556 8.1224 8.1224 8.1224 8.1224 8.4386 8.4386 8.4386 8.4386 10.0623 10.0623 10.0623 10.0623 11.7891 11.7891 11.7891 11.7891 12.9564 12.9564 12.9564 12.9564 k = 0.4565 0.3357 0.2754 ( 3532 PWs) bands (ev): 0.7252 0.7252 0.7252 0.7252 1.4352 1.4352 1.4352 1.4352 4.3349 4.3349 4.3349 4.3349 4.6528 4.6528 4.6528 4.6528 7.1502 7.1502 7.1502 7.1502 7.4518 7.4518 7.4518 7.4518 7.9546 7.9546 7.9546 7.9546 8.1295 8.1295 8.1295 8.1295 8.4425 8.4425 8.4425 8.4425 10.0385 10.0385 10.0385 10.0385 11.7573 11.7573 11.7573 11.7573 12.9929 12.9929 12.9929 12.9929 k = 0.4457 0.3357 0.2754 ( 3532 PWs) bands (ev): 0.7018 0.7018 0.7018 0.7018 1.3911 1.3911 1.3911 1.3911 4.3941 4.3941 4.3941 4.3941 4.6873 4.6873 4.6873 4.6873 7.1430 7.1430 7.1430 7.1430 7.4629 7.4629 7.4629 7.4629 7.9532 7.9532 7.9532 7.9532 8.1388 8.1388 8.1388 8.1388 8.4476 8.4476 8.4476 8.4476 10.0087 10.0087 10.0087 10.0087 11.7201 11.7201 11.7201 11.7201 13.0252 13.0252 13.0252 13.0252 k = 0.4348 0.3357 0.2754 ( 3528 PWs) bands (ev): 0.6740 0.6740 0.6740 0.6740 1.3400 1.3400 1.3400 1.3400 4.4634 4.4634 4.4634 4.4634 4.7286 4.7286 4.7286 4.7286 7.1346 7.1346 7.1346 7.1346 7.4762 7.4762 7.4762 7.4762 7.9514 7.9514 7.9514 7.9514 8.1505 8.1505 8.1505 8.1505 8.4539 8.4539 8.4539 8.4539 9.9732 9.9732 9.9732 9.9732 11.6792 11.6792 11.6792 11.6792 13.0436 13.0436 13.0436 13.0436 k = 0.4239 0.3357 0.2754 ( 3524 PWs) bands (ev): 0.6422 0.6422 0.6422 0.6422 1.2829 1.2829 1.2829 1.2829 4.5414 4.5414 4.5414 4.5414 4.7760 4.7760 4.7760 4.7760 7.1254 7.1254 7.1254 7.1254 7.4917 7.4917 7.4917 7.4917 7.9491 7.9491 7.9491 7.9491 8.1649 8.1649 8.1649 8.1649 8.4616 8.4616 8.4616 8.4616 9.9325 9.9325 9.9325 9.9325 11.6358 11.6358 11.6358 11.6358 13.0510 13.0510 13.0510 13.0510 k = 0.4130 0.3357 0.2754 ( 3528 PWs) bands (ev): 0.6067 0.6067 0.6067 0.6067 1.2209 1.2209 1.2209 1.2209 4.6266 4.6266 4.6266 4.6266 4.8291 4.8291 4.8291 4.8291 7.1157 7.1157 7.1157 7.1157 7.5090 7.5090 7.5090 7.5090 7.9464 7.9464 7.9464 7.9464 8.1821 8.1821 8.1821 8.1821 8.4705 8.4705 8.4705 8.4705 9.8873 9.8873 9.8873 9.8873 11.5911 11.5911 11.5911 11.5911 13.0521 13.0521 13.0521 13.0521 k = 0.4022 0.3357 0.2754 ( 3528 PWs) bands (ev): 0.5680 0.5680 0.5680 0.5680 1.1550 1.1550 1.1550 1.1550 4.7175 4.7175 4.7175 4.7175 4.8872 4.8872 4.8872 4.8872 7.1060 7.1060 7.1060 7.1060 7.5281 7.5281 7.5281 7.5281 7.9432 7.9432 7.9432 7.9432 8.2026 8.2026 8.2026 8.2026 8.4810 8.4810 8.4810 8.4810 9.8381 9.8381 9.8381 9.8381 11.5459 11.5459 11.5459 11.5459 13.0483 13.0483 13.0483 13.0483 k = 0.3913 0.3357 0.2754 ( 3532 PWs) bands (ev): 0.5266 0.5266 0.5266 0.5266 1.0863 1.0863 1.0863 1.0863 4.8127 4.8127 4.8127 4.8127 4.9498 4.9498 4.9498 4.9498 7.0968 7.0968 7.0968 7.0968 7.5487 7.5487 7.5487 7.5487 7.9395 7.9395 7.9395 7.9395 8.2266 8.2266 8.2266 8.2266 8.4931 8.4931 8.4931 8.4931 9.7853 9.7853 9.7853 9.7853 11.5009 11.5009 11.5009 11.5009 13.0399 13.0399 13.0399 13.0399 k = 0.3804 0.3357 0.2754 ( 3532 PWs) bands (ev): 0.4829 0.4829 0.4829 0.4829 1.0154 1.0154 1.0154 1.0154 4.9107 4.9107 4.9107 4.9107 5.0164 5.0164 5.0164 5.0164 7.0885 7.0885 7.0885 7.0885 7.5704 7.5704 7.5704 7.5704 7.9352 7.9352 7.9352 7.9352 8.2546 8.2546 8.2546 8.2546 8.5069 8.5069 8.5069 8.5069 9.7296 9.7296 9.7296 9.7296 11.4566 11.4566 11.4566 11.4566 13.0269 13.0269 13.0269 13.0269 k = 0.3696 0.3357 0.2754 ( 3532 PWs) bands (ev): 0.4373 0.4373 0.4373 0.4373 0.9430 0.9430 0.9430 0.9430 5.0098 5.0098 5.0098 5.0098 5.0867 5.0867 5.0867 5.0867 7.0819 7.0819 7.0819 7.0819 7.5929 7.5929 7.5929 7.5929 7.9306 7.9306 7.9306 7.9306 8.2869 8.2869 8.2869 8.2869 8.5226 8.5226 8.5226 8.5226 9.6715 9.6715 9.6715 9.6715 11.4133 11.4133 11.4133 11.4133 13.0092 13.0092 13.0092 13.0092 k = 0.3587 0.3357 0.2754 ( 3524 PWs) bands (ev): 0.3902 0.3902 0.3902 0.3902 0.8698 0.8698 0.8698 0.8698 5.1080 5.1080 5.1080 5.1080 5.1606 5.1606 5.1606 5.1606 7.0775 7.0775 7.0775 7.0775 7.6160 7.6160 7.6160 7.6160 7.9254 7.9254 7.9254 7.9254 8.3238 8.3238 8.3238 8.3238 8.5407 8.5407 8.5407 8.5407 9.6115 9.6115 9.6115 9.6115 11.3713 11.3713 11.3713 11.3713 12.9870 12.9870 12.9870 12.9870 k = 0.3478 0.3357 0.2754 ( 3532 PWs) bands (ev): 0.3419 0.3419 0.3419 0.3419 0.7963 0.7963 0.7963 0.7963 5.2019 5.2019 5.2019 5.2019 5.2393 5.2393 5.2393 5.2393 7.0762 7.0762 7.0762 7.0762 7.6390 7.6390 7.6390 7.6390 7.9198 7.9198 7.9198 7.9198 8.3656 8.3656 8.3656 8.3656 8.5613 8.5613 8.5613 8.5613 9.5502 9.5502 9.5502 9.5502 11.3309 11.3309 11.3309 11.3309 12.9604 12.9604 12.9604 12.9604 k = 0.3370 0.3357 0.2754 ( 3520 PWs) bands (ev): 0.2929 0.2929 0.2929 0.2929 0.7230 0.7230 0.7230 0.7230 5.2882 5.2882 5.2882 5.2882 5.3244 5.3244 5.3244 5.3244 7.0789 7.0789 7.0789 7.0789 7.6620 7.6620 7.6620 7.6620 7.9140 7.9140 7.9140 7.9140 8.4125 8.4125 8.4125 8.4125 8.5849 8.5849 8.5849 8.5849 9.4879 9.4879 9.4879 9.4879 11.2921 11.2921 11.2921 11.2921 12.9300 12.9300 12.9300 12.9300 k = 0.3261 0.3357 0.2754 ( 3524 PWs) bands (ev): 0.2434 0.2434 0.2434 0.2434 0.6501 0.6501 0.6501 0.6501 5.3682 5.3682 5.3682 5.3682 5.4121 5.4121 5.4121 5.4121 7.0862 7.0862 7.0862 7.0862 7.6842 7.6842 7.6842 7.6842 7.9077 7.9077 7.9077 7.9077 8.4641 8.4641 8.4641 8.4641 8.6123 8.6123 8.6123 8.6123 9.4255 9.4255 9.4255 9.4255 11.2551 11.2551 11.2551 11.2551 12.8962 12.8962 12.8962 12.8962 k = 0.3152 0.3357 0.2754 ( 3516 PWs) bands (ev): 0.1937 0.1937 0.1937 0.1937 0.5780 0.5780 0.5780 0.5780 5.4455 5.4455 5.4455 5.4455 5.4972 5.4972 5.4972 5.4972 7.0990 7.0990 7.0990 7.0990 7.7057 7.7057 7.7057 7.7057 7.9012 7.9012 7.9012 7.9012 8.5197 8.5197 8.5197 8.5197 8.6444 8.6444 8.6444 8.6444 9.3636 9.3636 9.3636 9.3636 11.2200 11.2200 11.2200 11.2200 12.8596 12.8596 12.8596 12.8596 k = 0.3043 0.3357 0.2754 ( 3532 PWs) bands (ev): 0.1440 0.1440 0.1440 0.1440 0.5070 0.5070 0.5070 0.5070 5.5207 5.5207 5.5207 5.5207 5.5768 5.5768 5.5768 5.5768 7.1179 7.1179 7.1179 7.1179 7.7260 7.7260 7.7260 7.7260 7.8946 7.8946 7.8946 7.8946 8.5774 8.5774 8.5774 8.5774 8.6830 8.6830 8.6830 8.6830 9.3032 9.3032 9.3032 9.3032 11.1869 11.1869 11.1869 11.1869 12.8207 12.8207 12.8207 12.8207 k = 0.2935 0.3357 0.2754 ( 3528 PWs) bands (ev): 0.0947 0.0947 0.0947 0.0947 0.4374 0.4374 0.4374 0.4374 5.5935 5.5935 5.5935 5.5935 5.6502 5.6502 5.6502 5.6502 7.1433 7.1433 7.1433 7.1433 7.7451 7.7451 7.7451 7.7451 7.8881 7.8881 7.8881 7.8881 8.6336 8.6336 8.6336 8.6336 8.7309 8.7309 8.7309 8.7309 9.2461 9.2461 9.2461 9.2461 11.1557 11.1557 11.1557 11.1557 12.7804 12.7804 12.7804 12.7804 k = 0.2826 0.3357 0.2754 ( 3536 PWs) bands (ev): 0.0459 0.0459 0.0459 0.0459 0.3693 0.3693 0.3693 0.3693 5.6616 5.6616 5.6616 5.6616 5.7180 5.7180 5.7180 5.7180 7.1750 7.1750 7.1750 7.1750 7.7627 7.7627 7.7627 7.7627 7.8819 7.8819 7.8819 7.8819 8.6844 8.6844 8.6844 8.6844 8.7898 8.7898 8.7898 8.7898 9.1952 9.1952 9.1952 9.1952 11.1267 11.1267 11.1267 11.1267 12.7393 12.7393 12.7393 12.7393 k = 0.2717 0.3357 0.2754 ( 3536 PWs) bands (ev): -0.0022 -0.0022 -0.0022 -0.0022 0.3028 0.3028 0.3028 0.3028 5.7215 5.7215 5.7215 5.7215 5.7834 5.7834 5.7834 5.7834 7.2125 7.2125 7.2125 7.2125 7.7784 7.7784 7.7784 7.7784 7.8763 7.8763 7.8763 7.8763 8.7270 8.7270 8.7270 8.7270 8.8570 8.8570 8.8570 8.8570 9.1569 9.1569 9.1569 9.1569 11.0998 11.0998 11.0998 11.0998 12.6981 12.6981 12.6981 12.6981 k = 0.2609 0.3357 0.2754 ( 3544 PWs) bands (ev): -0.0494 -0.0494 -0.0494 -0.0494 0.2383 0.2383 0.2383 0.2383 5.7694 5.7694 5.7694 5.7694 5.8498 5.8498 5.8498 5.8498 7.2547 7.2547 7.2547 7.2547 7.7918 7.7918 7.7918 7.7918 7.8718 7.8718 7.8718 7.8718 8.7568 8.7568 8.7568 8.7568 8.9251 8.9251 8.9251 8.9251 9.1434 9.1434 9.1434 9.1434 11.0751 11.0751 11.0751 11.0751 12.6575 12.6575 12.6575 12.6575 k = 0.2500 0.3357 0.2754 ( 3544 PWs) bands (ev): -0.0955 -0.0955 -0.0955 -0.0955 0.1757 0.1757 0.1757 0.1757 5.8054 5.8054 5.8054 5.8054 5.9177 5.9177 5.9177 5.9177 7.3001 7.3001 7.3001 7.3001 7.8023 7.8023 7.8023 7.8023 7.8694 7.8694 7.8694 7.8694 8.7649 8.7649 8.7649 8.7649 8.9876 8.9876 8.9876 8.9876 9.1704 9.1704 9.1704 9.1704 11.0528 11.0528 11.0528 11.0528 12.6183 12.6183 12.6183 12.6183 k = 0.2391 0.3357 0.2754 ( 3536 PWs) bands (ev): -0.1405 -0.1405 -0.1405 -0.1405 0.1152 0.1152 0.1152 0.1152 5.8312 5.8312 5.8312 5.8312 5.9862 5.9862 5.9862 5.9862 7.3471 7.3471 7.3471 7.3471 7.8089 7.8089 7.8089 7.8089 7.8699 7.8699 7.8699 7.8699 8.7474 8.7474 8.7474 8.7474 9.0496 9.0496 9.0496 9.0496 9.2372 9.2372 9.2372 9.2372 11.0329 11.0329 11.0329 11.0329 12.5812 12.5812 12.5812 12.5812 k = 0.2283 0.3357 0.2754 ( 3540 PWs) bands (ev): -0.1841 -0.1841 -0.1841 -0.1841 0.0570 0.0570 0.0570 0.0570 5.8487 5.8487 5.8487 5.8487 6.0542 6.0542 6.0542 6.0542 7.3939 7.3939 7.3939 7.3939 7.8116 7.8116 7.8116 7.8116 7.8735 7.8735 7.8735 7.8735 8.7108 8.7108 8.7108 8.7108 9.1201 9.1201 9.1201 9.1201 9.3275 9.3275 9.3275 9.3275 11.0157 11.0157 11.0157 11.0157 12.5470 12.5470 12.5470 12.5470 k = 0.2174 0.3357 0.2754 ( 3544 PWs) bands (ev): -0.2263 -0.2263 -0.2263 -0.2263 0.0010 0.0010 0.0010 0.0010 5.8594 5.8594 5.8594 5.8594 6.1213 6.1213 6.1213 6.1213 7.4389 7.4389 7.4389 7.4389 7.8113 7.8113 7.8113 7.8113 7.8794 7.8794 7.8794 7.8794 8.6640 8.6640 8.6640 8.6640 9.2013 9.2013 9.2013 9.2013 9.4298 9.4298 9.4298 9.4298 11.0015 11.0015 11.0015 11.0015 12.5165 12.5165 12.5165 12.5165 k = 0.2065 0.3357 0.2754 ( 3552 PWs) bands (ev): -0.2669 -0.2669 -0.2669 -0.2669 -0.0526 -0.0526 -0.0526 -0.0526 5.8647 5.8647 5.8647 5.8647 6.1873 6.1873 6.1873 6.1873 7.4807 7.4807 7.4807 7.4807 7.8093 7.8093 7.8093 7.8093 7.8862 7.8862 7.8862 7.8862 8.6124 8.6124 8.6124 8.6124 9.2919 9.2919 9.2919 9.2919 9.5386 9.5386 9.5386 9.5386 10.9905 10.9905 10.9905 10.9905 12.4906 12.4906 12.4906 12.4906 k = 0.1957 0.3357 0.2754 ( 3548 PWs) bands (ev): -0.3059 -0.3059 -0.3059 -0.3059 -0.1038 -0.1038 -0.1038 -0.1038 5.8656 5.8656 5.8656 5.8656 6.2523 6.2523 6.2523 6.2523 7.5184 7.5184 7.5184 7.5184 7.8069 7.8069 7.8069 7.8069 7.8927 7.8927 7.8927 7.8927 8.5592 8.5592 8.5592 8.5592 9.3903 9.3903 9.3903 9.3903 9.6509 9.6509 9.6509 9.6509 10.9833 10.9833 10.9833 10.9833 12.4702 12.4702 12.4702 12.4702 k = 0.1848 0.3357 0.2754 ( 3544 PWs) bands (ev): -0.3431 -0.3431 -0.3431 -0.3431 -0.1524 -0.1524 -0.1524 -0.1524 5.8632 5.8632 5.8632 5.8632 6.3160 6.3160 6.3160 6.3160 7.5512 7.5512 7.5512 7.5512 7.8047 7.8047 7.8047 7.8047 7.8982 7.8982 7.8982 7.8982 8.5060 8.5060 8.5060 8.5060 9.4946 9.4946 9.4946 9.4946 9.7646 9.7646 9.7646 9.7646 10.9806 10.9806 10.9806 10.9806 12.4562 12.4562 12.4562 12.4562 k = 0.1739 0.3357 0.2754 ( 3536 PWs) bands (ev): -0.3786 -0.3786 -0.3786 -0.3786 -0.1986 -0.1986 -0.1986 -0.1986 5.8583 5.8583 5.8583 5.8583 6.3787 6.3787 6.3787 6.3787 7.5788 7.5788 7.5788 7.5788 7.8033 7.8033 7.8033 7.8033 7.9018 7.9018 7.9018 7.9018 8.4543 8.4543 8.4543 8.4543 9.6029 9.6029 9.6029 9.6029 9.8777 9.8777 9.8777 9.8777 10.9833 10.9833 10.9833 10.9833 12.4498 12.4498 12.4498 12.4498 k = 0.1630 0.3357 0.2754 ( 3532 PWs) bands (ev): -0.4122 -0.4122 -0.4122 -0.4122 -0.2421 -0.2421 -0.2421 -0.2421 5.8514 5.8514 5.8514 5.8514 6.4402 6.4402 6.4402 6.4402 7.6009 7.6009 7.6009 7.6009 7.8027 7.8027 7.8027 7.8027 7.9030 7.9030 7.9030 7.9030 8.4050 8.4050 8.4050 8.4050 9.7129 9.7129 9.7129 9.7129 9.9883 9.9883 9.9883 9.9883 10.9928 10.9928 10.9928 10.9928 12.4520 12.4520 12.4520 12.4520 k = 0.1522 0.3357 0.2754 ( 3532 PWs) bands (ev): -0.4439 -0.4439 -0.4439 -0.4439 -0.2829 -0.2829 -0.2829 -0.2829 5.8432 5.8432 5.8432 5.8432 6.5007 6.5007 6.5007 6.5007 7.6179 7.6179 7.6179 7.6179 7.8028 7.8028 7.8028 7.8028 7.9011 7.9011 7.9011 7.9011 8.3594 8.3594 8.3594 8.3594 9.8220 9.8220 9.8220 9.8220 10.0942 10.0942 10.0942 10.0942 11.0106 11.0106 11.0106 11.0106 12.4637 12.4637 12.4637 12.4637 k = 0.1413 0.3357 0.2754 ( 3528 PWs) bands (ev): -0.4736 -0.4736 -0.4736 -0.4736 -0.3211 -0.3211 -0.3211 -0.3211 5.8342 5.8342 5.8342 5.8342 6.5602 6.5602 6.5602 6.5602 7.6301 7.6301 7.6301 7.6301 7.8030 7.8030 7.8030 7.8030 7.8959 7.8959 7.8959 7.8959 8.3183 8.3183 8.3183 8.3183 9.9276 9.9276 9.9276 9.9276 10.1930 10.1930 10.1930 10.1930 11.0389 11.0389 11.0389 11.0389 12.4861 12.4861 12.4861 12.4861 k = 0.1304 0.3357 0.2754 ( 3520 PWs) bands (ev): -0.5012 -0.5012 -0.5012 -0.5012 -0.3566 -0.3566 -0.3566 -0.3566 5.8247 5.8247 5.8247 5.8247 6.6188 6.6188 6.6188 6.6188 7.6382 7.6382 7.6382 7.6382 7.8018 7.8018 7.8018 7.8018 7.8877 7.8877 7.8877 7.8877 8.2828 8.2828 8.2828 8.2828 10.0269 10.0269 10.0269 10.0269 10.2825 10.2825 10.2825 10.2825 11.0797 11.0797 11.0797 11.0797 12.5198 12.5198 12.5198 12.5198 k = 0.1196 0.3357 0.2754 ( 3536 PWs) bands (ev): -0.5268 -0.5268 -0.5268 -0.5268 -0.3893 -0.3893 -0.3893 -0.3893 5.8150 5.8150 5.8150 5.8150 6.6764 6.6764 6.6764 6.6764 7.6429 7.6429 7.6429 7.6429 7.7965 7.7965 7.7965 7.7965 7.8782 7.8782 7.8782 7.8782 8.2534 8.2534 8.2534 8.2534 10.1174 10.1174 10.1174 10.1174 10.3607 10.3607 10.3607 10.3607 11.1346 11.1346 11.1346 11.1346 12.5651 12.5651 12.5651 12.5651 k = 0.1087 0.3357 0.2754 ( 3544 PWs) bands (ev): -0.5503 -0.5503 -0.5503 -0.5503 -0.4193 -0.4193 -0.4193 -0.4193 5.8054 5.8054 5.8054 5.8054 6.7333 6.7333 6.7333 6.7333 7.6446 7.6446 7.6446 7.6446 7.7837 7.7837 7.7837 7.7837 7.8706 7.8706 7.8706 7.8706 8.2303 8.2303 8.2303 8.2303 10.1970 10.1970 10.1970 10.1970 10.4270 10.4270 10.4270 10.4270 11.2039 11.2039 11.2039 11.2039 12.6219 12.6219 12.6219 12.6219 k = 0.0978 0.3357 0.2754 ( 3536 PWs) bands (ev): -0.5716 -0.5716 -0.5716 -0.5716 -0.4464 -0.4464 -0.4464 -0.4464 5.7962 5.7962 5.7962 5.7962 6.7893 6.7893 6.7893 6.7893 7.6439 7.6439 7.6439 7.6439 7.7620 7.7620 7.7620 7.7620 7.8671 7.8671 7.8671 7.8671 8.2131 8.2131 8.2131 8.2131 10.2644 10.2644 10.2644 10.2644 10.4821 10.4821 10.4821 10.4821 11.2860 11.2860 11.2860 11.2860 12.6894 12.6894 12.6894 12.6894 k = 0.0870 0.3357 0.2754 ( 3536 PWs) bands (ev): -0.5908 -0.5908 -0.5908 -0.5908 -0.4708 -0.4708 -0.4708 -0.4708 5.7875 5.7875 5.7875 5.7875 6.8446 6.8446 6.8446 6.8446 7.6402 7.6402 7.6402 7.6402 7.7337 7.7337 7.7337 7.7337 7.8668 7.8668 7.8668 7.8668 8.2007 8.2007 8.2007 8.2007 10.3191 10.3191 10.3191 10.3191 10.5276 10.5276 10.5276 10.5276 11.3776 11.3776 11.3776 11.3776 12.7657 12.7657 12.7657 12.7657 k = 0.0761 0.3357 0.2754 ( 3532 PWs) bands (ev): -0.6078 -0.6078 -0.6078 -0.6078 -0.4923 -0.4923 -0.4923 -0.4923 5.7796 5.7796 5.7796 5.7796 6.8989 6.8989 6.8989 6.8989 7.6312 7.6312 7.6312 7.6312 7.7041 7.7041 7.7041 7.7041 7.8684 7.8684 7.8684 7.8684 8.1922 8.1922 8.1922 8.1922 10.3620 10.3620 10.3620 10.3620 10.5650 10.5650 10.5650 10.5650 11.4745 11.4745 11.4745 11.4745 12.8483 12.8483 12.8483 12.8483 k = 0.0652 0.3357 0.2754 ( 3544 PWs) bands (ev): -0.6225 -0.6225 -0.6225 -0.6225 -0.5110 -0.5110 -0.5110 -0.5110 5.7724 5.7724 5.7724 5.7724 6.9522 6.9522 6.9522 6.9522 7.6116 7.6116 7.6116 7.6116 7.6809 7.6809 7.6809 7.6809 7.8707 7.8707 7.8707 7.8707 8.1864 8.1864 8.1864 8.1864 10.3944 10.3944 10.3944 10.3944 10.5958 10.5958 10.5958 10.5958 11.5719 11.5719 11.5719 11.5719 12.9336 12.9336 12.9336 12.9336 k = 0.0543 0.3357 0.2754 ( 3548 PWs) bands (ev): -0.6350 -0.6350 -0.6350 -0.6350 -0.5268 -0.5268 -0.5268 -0.5268 5.7662 5.7662 5.7662 5.7662 7.0040 7.0040 7.0040 7.0040 7.5794 7.5794 7.5794 7.5794 7.6682 7.6682 7.6682 7.6682 7.8731 7.8731 7.8731 7.8731 8.1826 8.1826 8.1826 8.1826 10.4183 10.4183 10.4183 10.4183 10.6208 10.6208 10.6208 10.6208 11.6654 11.6654 11.6654 11.6654 13.0173 13.0173 13.0173 13.0173 k = 0.0435 0.3357 0.2754 ( 3548 PWs) bands (ev): -0.6453 -0.6453 -0.6453 -0.6453 -0.5398 -0.5398 -0.5398 -0.5398 5.7610 5.7610 5.7610 5.7610 7.0539 7.0539 7.0539 7.0539 7.5404 7.5404 7.5404 7.5404 7.6618 7.6618 7.6618 7.6618 7.8753 7.8753 7.8753 7.8753 8.1802 8.1802 8.1802 8.1802 10.4355 10.4355 10.4355 10.4355 10.6405 10.6405 10.6405 10.6405 11.7502 11.7502 11.7502 11.7502 13.0940 13.0940 13.0940 13.0940 k = 0.0326 0.3357 0.2754 ( 3548 PWs) bands (ev): -0.6533 -0.6533 -0.6533 -0.6533 -0.5499 -0.5499 -0.5499 -0.5499 5.7569 5.7569 5.7569 5.7569 7.1005 7.1005 7.1005 7.1005 7.5001 7.5001 7.5001 7.5001 7.6584 7.6584 7.6584 7.6584 7.8771 7.8771 7.8771 7.8771 8.1788 8.1788 8.1788 8.1788 10.4474 10.4474 10.4474 10.4474 10.6554 10.6554 10.6554 10.6554 11.8220 11.8220 11.8220 11.8220 13.1587 13.1587 13.1587 13.1587 k = 0.0217 0.3357 0.2754 ( 3544 PWs) bands (ev): -0.6590 -0.6590 -0.6590 -0.6590 -0.5571 -0.5571 -0.5571 -0.5571 5.7540 5.7540 5.7540 5.7540 7.1415 7.1415 7.1415 7.1415 7.4630 7.4630 7.4630 7.4630 7.6563 7.6563 7.6563 7.6563 7.8785 7.8785 7.8785 7.8785 8.1780 8.1780 8.1780 8.1780 10.4552 10.4552 10.4552 10.4552 10.6657 10.6657 10.6657 10.6657 11.8768 11.8768 11.8768 11.8768 13.2069 13.2069 13.2069 13.2069 k = 0.0109 0.3357 0.2754 ( 3544 PWs) bands (ev): -0.6624 -0.6624 -0.6624 -0.6624 -0.5614 -0.5614 -0.5614 -0.5614 5.7522 5.7522 5.7522 5.7522 7.1718 7.1718 7.1718 7.1718 7.4347 7.4347 7.4347 7.4347 7.6552 7.6552 7.6552 7.6552 7.8793 7.8793 7.8793 7.8793 8.1776 8.1776 8.1776 8.1776 10.4596 10.4596 10.4596 10.4596 10.6717 10.6717 10.6717 10.6717 11.9113 11.9113 11.9113 11.9113 13.2362 13.2362 13.2362 13.2362 k = 0.0000 0.3357 0.2754 ( 3548 PWs) bands (ev): -0.6636 -0.6636 -0.6636 -0.6636 -0.5629 -0.5629 -0.5629 -0.5629 5.7516 5.7516 5.7516 5.7516 7.1835 7.1835 7.1835 7.1835 7.4236 7.4236 7.4236 7.4236 7.6549 7.6549 7.6549 7.6549 7.8795 7.8795 7.8795 7.8795 8.1775 8.1775 8.1775 8.1775 10.4610 10.4610 10.4610 10.4610 10.6737 10.6737 10.6737 10.6737 11.9230 11.9230 11.9230 11.9230 13.2460 13.2460 13.2460 13.2460 k = 0.0000 0.3357 0.2754 ( 3548 PWs) bands (ev): -0.6636 -0.6636 -0.6636 -0.6636 -0.5629 -0.5629 -0.5629 -0.5629 5.7516 5.7516 5.7516 5.7516 7.1835 7.1835 7.1835 7.1835 7.4236 7.4236 7.4236 7.4236 7.6549 7.6549 7.6549 7.6549 7.8795 7.8795 7.8795 7.8795 8.1775 8.1775 8.1775 8.1775 10.4610 10.4610 10.4610 10.4610 10.6737 10.6737 10.6737 10.6737 11.9230 11.9230 11.9230 11.9230 13.2460 13.2460 13.2460 13.2460 k = 0.0000 0.3249 0.2754 ( 3544 PWs) bands (ev): -0.7113 -0.7113 -0.7113 -0.7113 -0.5127 -0.5127 -0.5127 -0.5127 5.7495 5.7495 5.7495 5.7495 7.1838 7.1838 7.1838 7.1838 7.4213 7.4213 7.4213 7.4213 7.6573 7.6573 7.6573 7.6573 7.8805 7.8805 7.8805 7.8805 8.1773 8.1773 8.1773 8.1773 10.4502 10.4502 10.4502 10.4502 10.6738 10.6738 10.6738 10.6738 11.9171 11.9171 11.9171 11.9171 13.2542 13.2542 13.2542 13.2542 k = 0.0000 0.3141 0.2754 ( 3544 PWs) bands (ev): -0.7869 -0.7869 -0.7869 -0.7869 -0.4301 -0.4301 -0.4301 -0.4301 5.7434 5.7434 5.7434 5.7434 7.1845 7.1845 7.1845 7.1845 7.4149 7.4149 7.4149 7.4149 7.6640 7.6640 7.6640 7.6640 7.8834 7.8834 7.8834 7.8834 8.1769 8.1769 8.1769 8.1769 10.4176 10.4176 10.4176 10.4176 10.6748 10.6748 10.6748 10.6748 11.8997 11.8997 11.8997 11.8997 13.2783 13.2783 13.2783 13.2783 k = 0.0000 0.3033 0.2754 ( 3544 PWs) bands (ev): -0.8640 -0.8640 -0.8640 -0.8640 -0.3411 -0.3411 -0.3411 -0.3411 5.7334 5.7334 5.7334 5.7334 7.1857 7.1857 7.1857 7.1857 7.4049 7.4049 7.4049 7.4049 7.6737 7.6737 7.6737 7.6737 7.8887 7.8887 7.8887 7.8887 8.1761 8.1761 8.1761 8.1761 10.3637 10.3637 10.3637 10.3637 10.6784 10.6784 10.6784 10.6784 11.8724 11.8724 11.8724 11.8724 13.3164 13.3164 13.3164 13.3164 k = 0.0000 0.2924 0.2754 ( 3544 PWs) bands (ev): -0.9398 -0.9398 -0.9398 -0.9398 -0.2488 -0.2488 -0.2488 -0.2488 5.7197 5.7197 5.7197 5.7197 7.1874 7.1874 7.1874 7.1874 7.3921 7.3921 7.3921 7.3921 7.6848 7.6848 7.6848 7.6848 7.8968 7.8968 7.8968 7.8968 8.1751 8.1751 8.1751 8.1751 10.2907 10.2907 10.2907 10.2907 10.6854 10.6854 10.6854 10.6854 11.8372 11.8372 11.8372 11.8372 13.3662 13.3662 13.3662 13.3662 k = 0.0000 0.2816 0.2754 ( 3546 PWs) bands (ev): -1.0135 -1.0135 -1.0135 -1.0135 -0.1539 -0.1539 -0.1539 -0.1539 5.7024 5.7024 5.7024 5.7024 7.1894 7.1894 7.1894 7.1894 7.3769 7.3769 7.3769 7.3769 7.6956 7.6956 7.6956 7.6956 7.9083 7.9083 7.9083 7.9083 8.1738 8.1738 8.1738 8.1738 10.2019 10.2019 10.2019 10.2019 10.6961 10.6961 10.6961 10.6961 11.7960 11.7960 11.7960 11.7960 13.4256 13.4256 13.4256 13.4256 k = 0.0000 0.2708 0.2754 ( 3542 PWs) bands (ev): -1.0848 -1.0848 -1.0848 -1.0848 -0.0568 -0.0568 -0.0568 -0.0568 5.6819 5.6819 5.6819 5.6819 7.1919 7.1919 7.1919 7.1919 7.3597 7.3597 7.3597 7.3597 7.7046 7.7046 7.7046 7.7046 7.9237 7.9237 7.9237 7.9237 8.1724 8.1724 8.1724 8.1724 10.1010 10.1010 10.1010 10.1010 10.7105 10.7105 10.7105 10.7105 11.7505 11.7505 11.7505 11.7505 13.4925 13.4925 13.4925 13.4925 k = 0.0000 0.2599 0.2754 ( 3542 PWs) bands (ev): -1.1537 -1.1537 -1.1537 -1.1537 0.0423 0.0423 0.0423 0.0423 5.6584 5.6584 5.6584 5.6584 7.1945 7.1945 7.1945 7.1945 7.3405 7.3405 7.3405 7.3405 7.7110 7.7110 7.7110 7.7110 7.9428 7.9428 7.9428 7.9428 8.1709 8.1709 8.1709 8.1709 9.9917 9.9917 9.9917 9.9917 10.7284 10.7284 10.7284 10.7284 11.7024 11.7024 11.7024 11.7024 13.5653 13.5653 13.5653 13.5653 k = 0.0000 0.2491 0.2754 ( 3540 PWs) bands (ev): -1.2200 -1.2200 -1.2200 -1.2200 0.1433 0.1433 0.1433 0.1433 5.6323 5.6323 5.6323 5.6323 7.1972 7.1972 7.1972 7.1972 7.3193 7.3193 7.3193 7.3193 7.7143 7.7143 7.7143 7.7143 7.9651 7.9651 7.9651 7.9651 8.1694 8.1694 8.1694 8.1694 9.8775 9.8775 9.8775 9.8775 10.7498 10.7498 10.7498 10.7498 11.6528 11.6528 11.6528 11.6528 13.6428 13.6428 13.6428 13.6428 k = 0.0000 0.2383 0.2754 ( 3544 PWs) bands (ev): -1.2836 -1.2836 -1.2836 -1.2836 0.2461 0.2461 0.2461 0.2461 5.6039 5.6039 5.6039 5.6039 7.1995 7.1995 7.1995 7.1995 7.2961 7.2961 7.2961 7.2961 7.7149 7.7149 7.7149 7.7149 7.9893 7.9893 7.9893 7.9893 8.1682 8.1682 8.1682 8.1682 9.7616 9.7616 9.7616 9.7616 10.7747 10.7747 10.7747 10.7747 11.6026 11.6026 11.6026 11.6026 13.7235 13.7235 13.7235 13.7235 k = 0.0000 0.2274 0.2754 ( 3536 PWs) bands (ev): -1.3447 -1.3447 -1.3447 -1.3447 0.3503 0.3503 0.3503 0.3503 5.5734 5.5734 5.5734 5.5734 7.2002 7.2002 7.2002 7.2002 7.2717 7.2717 7.2717 7.2717 7.7130 7.7130 7.7130 7.7130 8.0142 8.0142 8.0142 8.0142 8.1675 8.1675 8.1675 8.1675 9.6469 9.6469 9.6469 9.6469 10.8029 10.8029 10.8029 10.8029 11.5529 11.5529 11.5529 11.5529 13.8063 13.8063 13.8063 13.8063 k = 0.0000 0.2166 0.2754 ( 3536 PWs) bands (ev): -1.4030 -1.4030 -1.4030 -1.4030 0.4559 0.4559 0.4559 0.4559 5.5410 5.5410 5.5410 5.5410 7.1952 7.1952 7.1952 7.1952 7.2494 7.2494 7.2494 7.2494 7.7091 7.7091 7.7091 7.7091 8.0381 8.0381 8.0381 8.0381 8.1678 8.1678 8.1678 8.1678 9.5359 9.5359 9.5359 9.5359 10.8343 10.8343 10.8343 10.8343 11.5042 11.5042 11.5042 11.5042 13.8895 13.8895 13.8895 13.8895 k = 0.0000 0.2058 0.2754 ( 3536 PWs) bands (ev): -1.4586 -1.4586 -1.4586 -1.4586 0.5627 0.5627 0.5627 0.5627 5.5071 5.5071 5.5071 5.5071 7.1757 7.1757 7.1757 7.1757 7.2375 7.2375 7.2375 7.2375 7.7037 7.7037 7.7037 7.7037 8.0593 8.0593 8.0593 8.0593 8.1697 8.1697 8.1697 8.1697 9.4310 9.4310 9.4310 9.4310 10.8688 10.8688 10.8688 10.8688 11.4574 11.4574 11.4574 11.4574 13.9710 13.9710 13.9710 13.9710 k = 0.0000 0.1949 0.2754 ( 3532 PWs) bands (ev): -1.5114 -1.5114 -1.5114 -1.5114 0.6703 0.6703 0.6703 0.6703 5.4717 5.4717 5.4717 5.4717 7.1411 7.1411 7.1411 7.1411 7.2360 7.2360 7.2360 7.2360 7.6973 7.6973 7.6973 7.6973 8.0761 8.0761 8.0761 8.0761 8.1740 8.1740 8.1740 8.1740 9.3342 9.3342 9.3342 9.3342 10.9058 10.9058 10.9058 10.9058 11.4135 11.4135 11.4135 11.4135 14.0473 14.0473 14.0473 14.0473 k = 0.0000 0.1841 0.2754 ( 3542 PWs) bands (ev): -1.5615 -1.5615 -1.5615 -1.5615 0.7787 0.7787 0.7787 0.7787 5.4349 5.4349 5.4349 5.4349 7.0970 7.0970 7.0970 7.0970 7.2387 7.2387 7.2387 7.2387 7.6900 7.6900 7.6900 7.6900 8.0874 8.0874 8.0874 8.0874 8.1807 8.1807 8.1807 8.1807 9.2473 9.2473 9.2473 9.2473 10.9445 10.9445 10.9445 10.9445 11.3737 11.3737 11.3737 11.3737 14.1127 14.1127 14.1127 14.1127 k = 0.0000 0.1733 0.2754 ( 3542 PWs) bands (ev): -1.6088 -1.6088 -1.6088 -1.6088 0.8873 0.8873 0.8873 0.8873 5.3970 5.3970 5.3970 5.3970 7.0461 7.0461 7.0461 7.0461 7.2431 7.2431 7.2431 7.2431 7.6825 7.6825 7.6825 7.6825 8.0936 8.0936 8.0936 8.0936 8.1888 8.1888 8.1888 8.1888 9.1717 9.1717 9.1717 9.1717 10.9829 10.9829 10.9829 10.9829 11.3402 11.3402 11.3402 11.3402 14.1585 14.1585 14.1585 14.1585 k = 0.0000 0.1625 0.2754 ( 3546 PWs) bands (ev): -1.6532 -1.6532 -1.6532 -1.6532 0.9960 0.9960 0.9960 0.9960 5.3579 5.3579 5.3579 5.3579 6.9893 6.9893 6.9893 6.9893 7.2482 7.2482 7.2482 7.2482 7.6748 7.6748 7.6748 7.6748 8.0958 8.0958 8.0958 8.0958 8.1964 8.1964 8.1964 8.1964 9.1081 9.1081 9.1081 9.1081 11.0176 11.0176 11.0176 11.0176 11.3167 11.3167 11.3167 11.3167 14.1763 14.1763 14.1763 14.1763 k = 0.0000 0.1516 0.2754 ( 3550 PWs) bands (ev): -1.6949 -1.6949 -1.6949 -1.6949 1.1042 1.1042 1.1042 1.1042 5.3177 5.3177 5.3177 5.3177 6.9274 6.9274 6.9274 6.9274 7.2537 7.2537 7.2537 7.2537 7.6673 7.6673 7.6673 7.6673 8.0954 8.0954 8.0954 8.0954 8.2021 8.2021 8.2021 8.2021 9.0568 9.0568 9.0568 9.0568 11.0427 11.0427 11.0427 11.0427 11.3093 11.3093 11.3093 11.3093 14.1649 14.1649 14.1649 14.1649 k = 0.0000 0.1408 0.2754 ( 3546 PWs) bands (ev): -1.7338 -1.7338 -1.7338 -1.7338 1.2116 1.2116 1.2116 1.2116 5.2765 5.2765 5.2765 5.2765 6.8614 6.8614 6.8614 6.8614 7.2594 7.2594 7.2594 7.2594 7.6601 7.6601 7.6601 7.6601 8.0936 8.0936 8.0936 8.0936 8.2049 8.2049 8.2049 8.2049 9.0173 9.0173 9.0173 9.0173 11.0523 11.0523 11.0523 11.0523 11.3238 11.3238 11.3238 11.3238 14.1297 14.1297 14.1297 14.1297 k = 0.0000 0.1300 0.2754 ( 3546 PWs) bands (ev): -1.7698 -1.7698 -1.7698 -1.7698 1.3175 1.3175 1.3175 1.3175 5.2342 5.2342 5.2342 5.2342 6.7926 6.7926 6.7926 6.7926 7.2651 7.2651 7.2651 7.2651 7.6535 7.6535 7.6535 7.6535 8.0907 8.0907 8.0907 8.0907 8.2048 8.2048 8.2048 8.2048 8.9884 8.9884 8.9884 8.9884 11.0465 11.0465 11.0465 11.0465 11.3602 11.3602 11.3602 11.3602 14.0771 14.0771 14.0771 14.0771 k = 0.0000 0.1191 0.2754 ( 3542 PWs) bands (ev): -1.8029 -1.8029 -1.8029 -1.8029 1.4213 1.4213 1.4213 1.4213 5.1911 5.1911 5.1911 5.1911 6.7226 6.7226 6.7226 6.7226 7.2708 7.2708 7.2708 7.2708 7.6474 7.6474 7.6474 7.6474 8.0873 8.0873 8.0873 8.0873 8.2022 8.2022 8.2022 8.2022 8.9687 8.9687 8.9687 8.9687 11.0309 11.0309 11.0309 11.0309 11.4126 11.4126 11.4126 11.4126 14.0120 14.0120 14.0120 14.0120 k = 0.0000 0.1083 0.2754 ( 3538 PWs) bands (ev): -1.8332 -1.8332 -1.8332 -1.8332 1.5223 1.5223 1.5223 1.5223 5.1472 5.1472 5.1472 5.1472 6.6529 6.6529 6.6529 6.6529 7.2764 7.2764 7.2764 7.2764 7.6419 7.6419 7.6419 7.6419 8.0837 8.0837 8.0837 8.0837 8.1976 8.1976 8.1976 8.1976 8.9564 8.9564 8.9564 8.9564 11.0108 11.0108 11.0108 11.0108 11.4755 11.4755 11.4755 11.4755 13.9375 13.9375 13.9375 13.9375 k = 0.0000 0.0975 0.2754 ( 3546 PWs) bands (ev): -1.8607 -1.8607 -1.8607 -1.8607 1.6196 1.6196 1.6196 1.6196 5.1029 5.1029 5.1029 5.1029 6.5851 6.5851 6.5851 6.5851 7.2816 7.2816 7.2816 7.2816 7.6370 7.6370 7.6370 7.6370 8.0799 8.0799 8.0799 8.0799 8.1917 8.1917 8.1917 8.1917 8.9498 8.9498 8.9498 8.9498 10.9893 10.9893 10.9893 10.9893 11.5451 11.5451 11.5451 11.5451 13.8563 13.8563 13.8563 13.8563 k = 0.0000 0.0866 0.2754 ( 3542 PWs) bands (ev): -1.8852 -1.8852 -1.8852 -1.8852 1.7121 1.7121 1.7121 1.7121 5.0587 5.0587 5.0587 5.0587 6.5208 6.5208 6.5208 6.5208 7.2866 7.2866 7.2866 7.2866 7.6328 7.6328 7.6328 7.6328 8.0763 8.0763 8.0763 8.0763 8.1854 8.1854 8.1854 8.1854 8.9474 8.9474 8.9474 8.9474 10.9683 10.9683 10.9683 10.9683 11.6190 11.6190 11.6190 11.6190 13.7706 13.7706 13.7706 13.7706 k = 0.0000 0.0758 0.2754 ( 3542 PWs) bands (ev): -1.9069 -1.9069 -1.9069 -1.9069 1.7988 1.7988 1.7988 1.7988 5.0152 5.0152 5.0152 5.0152 6.4614 6.4614 6.4614 6.4614 7.2911 7.2911 7.2911 7.2911 7.6291 7.6291 7.6291 7.6291 8.0729 8.0729 8.0729 8.0729 8.1790 8.1790 8.1790 8.1790 8.9477 8.9477 8.9477 8.9477 10.9488 10.9488 10.9488 10.9488 11.6951 11.6951 11.6951 11.6951 13.6825 13.6825 13.6825 13.6825 k = 0.0000 0.0650 0.2754 ( 3536 PWs) bands (ev): -1.9257 -1.9257 -1.9257 -1.9257 1.8782 1.8782 1.8782 1.8782 4.9735 4.9735 4.9735 4.9735 6.4080 6.4080 6.4080 6.4080 7.2953 7.2953 7.2953 7.2953 7.6261 7.6261 7.6261 7.6261 8.0698 8.0698 8.0698 8.0698 8.1729 8.1729 8.1729 8.1729 8.9497 8.9497 8.9497 8.9497 10.9312 10.9312 10.9312 10.9312 11.7716 11.7716 11.7716 11.7716 13.5944 13.5944 13.5944 13.5944 k = 0.0000 0.0542 0.2754 ( 3530 PWs) bands (ev): -1.9417 -1.9417 -1.9417 -1.9417 1.9491 1.9491 1.9491 1.9491 4.9347 4.9347 4.9347 4.9347 6.3615 6.3615 6.3615 6.3615 7.2989 7.2989 7.2989 7.2989 7.6236 7.6236 7.6236 7.6236 8.0670 8.0670 8.0670 8.0670 8.1675 8.1675 8.1675 8.1675 8.9526 8.9526 8.9526 8.9526 10.9159 10.9159 10.9159 10.9159 11.8463 11.8463 11.8463 11.8463 13.5090 13.5090 13.5090 13.5090 k = 0.0000 0.0433 0.2754 ( 3530 PWs) bands (ev): -1.9547 -1.9547 -1.9547 -1.9547 2.0099 2.0099 2.0099 2.0099 4.9001 4.9001 4.9001 4.9001 6.3227 6.3227 6.3227 6.3227 7.3019 7.3019 7.3019 7.3019 7.6215 7.6215 7.6215 7.6215 8.0647 8.0647 8.0647 8.0647 8.1629 8.1629 8.1629 8.1629 8.9556 8.9556 8.9556 8.9556 10.9032 10.9032 10.9032 10.9032 11.9163 11.9163 11.9163 11.9163 13.4296 13.4296 13.4296 13.4296 k = 0.0000 0.0325 0.2754 ( 3542 PWs) bands (ev): -1.9648 -1.9648 -1.9648 -1.9648 2.0592 2.0592 2.0592 2.0592 4.8712 4.8712 4.8712 4.8712 6.2921 6.2921 6.2921 6.2921 7.3043 7.3043 7.3043 7.3043 7.6199 7.6199 7.6199 7.6199 8.0628 8.0628 8.0628 8.0628 8.1592 8.1592 8.1592 8.1592 8.9584 8.9584 8.9584 8.9584 10.8932 10.8932 10.8932 10.8932 11.9782 11.9782 11.9782 11.9782 13.3599 13.3599 13.3599 13.3599 k = 0.0000 0.0217 0.2754 ( 3540 PWs) bands (ev): -1.9721 -1.9721 -1.9721 -1.9721 2.0955 2.0955 2.0955 2.0955 4.8493 4.8493 4.8493 4.8493 6.2701 6.2701 6.2701 6.2701 7.3061 7.3061 7.3061 7.3061 7.6188 7.6188 7.6188 7.6188 8.0615 8.0615 8.0615 8.0615 8.1565 8.1565 8.1565 8.1565 8.9606 8.9606 8.9606 8.9606 10.8860 10.8860 10.8860 10.8860 12.0276 12.0276 12.0276 12.0276 13.3048 13.3048 13.3048 13.3048 k = 0.0000 0.0108 0.2754 ( 3538 PWs) bands (ev): -1.9764 -1.9764 -1.9764 -1.9764 2.1179 2.1179 2.1179 2.1179 4.8357 4.8357 4.8357 4.8357 6.2568 6.2568 6.2568 6.2568 7.3072 7.3072 7.3072 7.3072 7.6181 7.6181 7.6181 7.6181 8.0607 8.0607 8.0607 8.0607 8.1549 8.1549 8.1549 8.1549 8.9620 8.9620 8.9620 8.9620 10.8817 10.8817 10.8817 10.8817 12.0598 12.0598 12.0598 12.0598 13.2690 13.2690 13.2690 13.2690 k = 0.0000 0.0000 0.2754 ( 3536 PWs) bands (ev): -1.9779 -1.9779 -1.9779 -1.9779 2.1254 2.1254 2.1254 2.1254 4.8310 4.8310 4.8310 4.8310 6.2524 6.2524 6.2524 6.2524 7.3075 7.3075 7.3075 7.3075 7.6179 7.6179 7.6179 7.6179 8.0604 8.0604 8.0604 8.0604 8.1543 8.1543 8.1543 8.1543 8.9625 8.9625 8.9625 8.9625 10.8802 10.8802 10.8802 10.8802 12.0711 12.0711 12.0711 12.0711 13.2565 13.2565 13.2565 13.2565 k = 0.0000 0.3357-0.0000 ( 3544 PWs) bands (ev): -1.4805 -1.4805 -1.4805 -1.4805 0.9739 0.9739 0.9739 0.9739 3.9981 3.9981 3.9981 3.9981 7.2279 7.2279 7.2279 7.2279 7.3868 7.3868 7.3868 7.3868 7.5943 7.5943 7.5943 7.5943 8.0817 8.0817 8.0817 8.0817 8.1417 8.1417 8.1417 8.1417 10.3195 10.3195 10.3195 10.3195 11.6097 11.6097 11.6097 11.6097 13.3855 13.3855 13.3855 13.3855 13.7981 13.7981 13.7981 13.7981 k = 0.0000 0.3357 0.0110 ( 3544 PWs) bands (ev): -1.4791 -1.4791 -1.4791 -1.4791 0.9683 0.9683 0.9683 0.9683 4.0053 4.0053 4.0053 4.0053 7.2277 7.2277 7.2277 7.2277 7.3857 7.3857 7.3857 7.3857 7.5954 7.5954 7.5954 7.5954 8.0819 8.0819 8.0819 8.0819 8.1419 8.1419 8.1419 8.1419 10.3188 10.3188 10.3188 10.3188 11.6105 11.6105 11.6105 11.6105 13.3725 13.3725 13.3725 13.3725 13.7976 13.7976 13.7976 13.7976 k = 0.0000 0.3357 0.0220 ( 3542 PWs) bands (ev): -1.4748 -1.4748 -1.4748 -1.4748 0.9518 0.9518 0.9518 0.9518 4.0265 4.0265 4.0265 4.0265 7.2272 7.2272 7.2272 7.2272 7.3826 7.3826 7.3826 7.3826 7.5987 7.5987 7.5987 7.5987 8.0827 8.0827 8.0827 8.0827 8.1424 8.1424 8.1424 8.1424 10.3165 10.3165 10.3165 10.3165 11.6128 11.6128 11.6128 11.6128 13.3342 13.3342 13.3342 13.3342 13.7959 13.7959 13.7959 13.7959 k = 0.0000 0.3357 0.0331 ( 3534 PWs) bands (ev): -1.4676 -1.4676 -1.4676 -1.4676 0.9250 0.9250 0.9250 0.9250 4.0613 4.0613 4.0613 4.0613 7.2262 7.2262 7.2262 7.2262 7.3779 7.3779 7.3779 7.3779 7.6040 7.6040 7.6040 7.6040 8.0840 8.0840 8.0840 8.0840 8.1432 8.1432 8.1432 8.1432 10.3128 10.3128 10.3128 10.3128 11.6166 11.6166 11.6166 11.6166 13.2727 13.2727 13.2727 13.2727 13.7921 13.7921 13.7921 13.7921 k = 0.0000 0.3357 0.0441 ( 3548 PWs) bands (ev): -1.4576 -1.4576 -1.4576 -1.4576 0.8885 0.8885 0.8885 0.8885 4.1088 4.1088 4.1088 4.1088 7.2248 7.2248 7.2248 7.2248 7.3717 7.3717 7.3717 7.3717 7.6106 7.6106 7.6106 7.6106 8.0856 8.0856 8.0856 8.0856 8.1441 8.1441 8.1441 8.1441 10.3078 10.3078 10.3078 10.3078 11.6218 11.6218 11.6218 11.6218 13.1906 13.1906 13.1906 13.1906 13.7854 13.7854 13.7854 13.7854 k = 0.0000 0.3357 0.0551 ( 3544 PWs) bands (ev): -1.4448 -1.4448 -1.4448 -1.4448 0.8433 0.8433 0.8433 0.8433 4.1679 4.1679 4.1679 4.1679 7.2232 7.2232 7.2232 7.2232 7.3646 7.3646 7.3646 7.3646 7.6184 7.6184 7.6184 7.6184 8.0877 8.0877 8.0877 8.0877 8.1451 8.1451 8.1451 8.1451 10.3017 10.3017 10.3017 10.3017 11.6285 11.6285 11.6285 11.6285 13.0910 13.0910 13.0910 13.0910 13.7753 13.7753 13.7753 13.7753 k = 0.0000 0.3357 0.0661 ( 3548 PWs) bands (ev): -1.4291 -1.4291 -1.4291 -1.4291 0.7905 0.7905 0.7905 0.7905 4.2373 4.2373 4.2373 4.2373 7.2212 7.2212 7.2212 7.2212 7.3570 7.3570 7.3570 7.3570 7.6268 7.6268 7.6268 7.6268 8.0900 8.0900 8.0900 8.0900 8.1462 8.1462 8.1462 8.1462 10.2945 10.2945 10.2945 10.2945 11.6364 11.6364 11.6364 11.6364 12.9768 12.9768 12.9768 12.9768 13.7614 13.7614 13.7614 13.7614 k = 0.0000 0.3357 0.0771 ( 3552 PWs) bands (ev): -1.4106 -1.4106 -1.4106 -1.4106 0.7313 0.7313 0.7313 0.7313 4.3158 4.3158 4.3158 4.3158 7.2190 7.2190 7.2190 7.2190 7.3493 7.3493 7.3493 7.3493 7.6356 7.6356 7.6356 7.6356 8.0924 8.0924 8.0924 8.0924 8.1471 8.1471 8.1471 8.1471 10.2866 10.2866 10.2866 10.2866 11.6455 11.6455 11.6455 11.6455 12.8512 12.8512 12.8512 12.8512 13.7438 13.7438 13.7438 13.7438 k = 0.0000 0.3357 0.0881 ( 3552 PWs) bands (ev): -1.3893 -1.3893 -1.3893 -1.3893 0.6666 0.6666 0.6666 0.6666 4.4020 4.4020 4.4020 4.4020 7.2166 7.2166 7.2166 7.2166 7.3417 7.3417 7.3417 7.3417 7.6445 7.6445 7.6445 7.6445 8.0946 8.0946 8.0946 8.0946 8.1479 8.1479 8.1479 8.1479 10.2783 10.2783 10.2783 10.2783 11.6554 11.6554 11.6554 11.6554 12.7169 12.7169 12.7169 12.7169 13.7224 13.7224 13.7224 13.7224 k = 0.0000 0.3357 0.0992 ( 3546 PWs) bands (ev): -1.3651 -1.3651 -1.3651 -1.3651 0.5976 0.5976 0.5976 0.5976 4.4946 4.4946 4.4946 4.4946 7.2140 7.2140 7.2140 7.2140 7.3347 7.3347 7.3347 7.3347 7.6533 7.6533 7.6533 7.6533 8.0963 8.0963 8.0963 8.0963 8.1485 8.1485 8.1485 8.1485 10.2698 10.2698 10.2698 10.2698 11.6658 11.6658 11.6658 11.6658 12.5768 12.5768 12.5768 12.5768 13.6974 13.6974 13.6974 13.6974 k = 0.0000 0.3357 0.1102 ( 3540 PWs) bands (ev): -1.3382 -1.3382 -1.3382 -1.3382 0.5251 0.5251 0.5251 0.5251 4.5924 4.5924 4.5924 4.5924 7.2113 7.2113 7.2113 7.2113 7.3284 7.3284 7.3284 7.3284 7.6617 7.6617 7.6617 7.6617 8.0971 8.0971 8.0971 8.0971 8.1490 8.1490 8.1490 8.1490 10.2617 10.2617 10.2617 10.2617 11.6761 11.6761 11.6761 11.6761 12.4337 12.4337 12.4337 12.4337 13.6689 13.6689 13.6689 13.6689 k = 0.0000 0.3357 0.1212 ( 3544 PWs) bands (ev): -1.3085 -1.3085 -1.3085 -1.3085 0.4499 0.4499 0.4499 0.4499 4.6939 4.6939 4.6939 4.6939 7.2085 7.2085 7.2085 7.2085 7.3230 7.3230 7.3230 7.3230 7.6694 7.6694 7.6694 7.6694 8.0962 8.0962 8.0962 8.0962 8.1495 8.1495 8.1495 8.1495 10.2542 10.2542 10.2542 10.2542 11.6851 11.6851 11.6851 11.6851 12.2906 12.2906 12.2906 12.2906 13.6373 13.6373 13.6373 13.6373 k = 0.0000 0.3357 0.1322 ( 3552 PWs) bands (ev): -1.2760 -1.2760 -1.2760 -1.2760 0.3727 0.3727 0.3727 0.3727 4.7981 4.7981 4.7981 4.7981 7.2056 7.2056 7.2056 7.2056 7.3189 7.3189 7.3189 7.3189 7.6766 7.6766 7.6766 7.6766 8.0929 8.0929 8.0929 8.0929 8.1502 8.1502 8.1502 8.1502 10.2480 10.2480 10.2480 10.2480 11.6904 11.6904 11.6904 11.6904 12.1517 12.1517 12.1517 12.1517 13.6030 13.6030 13.6030 13.6030 k = 0.0000 0.3357 0.1432 ( 3554 PWs) bands (ev): -1.2408 -1.2408 -1.2408 -1.2408 0.2943 0.2943 0.2943 0.2943 4.9036 4.9036 4.9036 4.9036 7.2028 7.2028 7.2028 7.2028 7.3163 7.3163 7.3163 7.3163 7.6829 7.6829 7.6829 7.6829 8.0866 8.0866 8.0866 8.0866 8.1516 8.1516 8.1516 8.1516 10.2436 10.2436 10.2436 10.2436 11.6857 11.6857 11.6857 11.6857 12.0244 12.0244 12.0244 12.0244 13.5665 13.5665 13.5665 13.5665 k = 0.0000 0.3357 0.1543 ( 3554 PWs) bands (ev): -1.2029 -1.2029 -1.2029 -1.2029 0.2151 0.2151 0.2151 0.2151 5.0092 5.0092 5.0092 5.0092 7.2000 7.2000 7.2000 7.2000 7.3154 7.3154 7.3154 7.3154 7.6884 7.6884 7.6884 7.6884 8.0769 8.0769 8.0769 8.0769 8.1537 8.1537 8.1537 8.1537 10.2415 10.2415 10.2415 10.2415 11.6559 11.6559 11.6559 11.6559 11.9250 11.9250 11.9250 11.9250 13.5287 13.5287 13.5287 13.5287 k = 0.0000 0.3357 0.1653 ( 3558 PWs) bands (ev): -1.1624 -1.1624 -1.1624 -1.1624 0.1356 0.1356 0.1356 0.1356 5.1136 5.1136 5.1136 5.1136 7.1974 7.1974 7.1974 7.1974 7.3165 7.3165 7.3165 7.3165 7.6928 7.6928 7.6928 7.6928 8.0634 8.0634 8.0634 8.0634 8.1563 8.1563 8.1563 8.1563 10.2424 10.2424 10.2424 10.2424 11.5832 11.5832 11.5832 11.5832 11.8726 11.8726 11.8726 11.8726 13.4902 13.4902 13.4902 13.4902 k = 0.0000 0.3357 0.1763 ( 3556 PWs) bands (ev): -1.1192 -1.1192 -1.1192 -1.1192 0.0562 0.0562 0.0562 0.0562 5.2153 5.2153 5.2153 5.2153 7.1949 7.1949 7.1949 7.1949 7.3198 7.3198 7.3198 7.3198 7.6961 7.6961 7.6961 7.6961 8.0463 8.0463 8.0463 8.0463 8.1593 8.1593 8.1593 8.1593 10.2469 10.2469 10.2469 10.2469 11.4774 11.4774 11.4774 11.4774 11.8579 11.8579 11.8579 11.8579 13.4520 13.4520 13.4520 13.4520 k = 0.0000 0.3357 0.1873 ( 3558 PWs) bands (ev): -1.0734 -1.0734 -1.0734 -1.0734 -0.0227 -0.0227 -0.0227 -0.0227 5.3129 5.3129 5.3129 5.3129 7.1926 7.1926 7.1926 7.1926 7.3256 7.3256 7.3256 7.3256 7.6980 7.6980 7.6980 7.6980 8.0259 8.0259 8.0259 8.0259 8.1624 8.1624 8.1624 8.1624 10.2555 10.2555 10.2555 10.2555 11.3601 11.3601 11.3601 11.3601 11.8601 11.8601 11.8601 11.8601 13.4148 13.4148 13.4148 13.4148 k = 0.0000 0.3357 0.1983 ( 3556 PWs) bands (ev): -1.0251 -1.0251 -1.0251 -1.0251 -0.1007 -0.1007 -0.1007 -0.1007 5.4048 5.4048 5.4048 5.4048 7.1906 7.1906 7.1906 7.1906 7.3341 7.3341 7.3341 7.3341 7.6982 7.6982 7.6982 7.6982 8.0028 8.0028 8.0028 8.0028 8.1655 8.1655 8.1655 8.1655 10.2688 10.2688 10.2688 10.2688 11.2423 11.2423 11.2423 11.2423 11.8688 11.8688 11.8688 11.8688 13.3795 13.3795 13.3795 13.3795 k = 0.0000 0.3357 0.2093 ( 3556 PWs) bands (ev): -0.9744 -0.9744 -0.9744 -0.9744 -0.1777 -0.1777 -0.1777 -0.1777 5.4893 5.4893 5.4893 5.4893 7.1888 7.1888 7.1888 7.1888 7.3453 7.3453 7.3453 7.3453 7.6964 7.6964 7.6964 7.6964 7.9779 7.9779 7.9779 7.9779 8.1684 8.1684 8.1684 8.1684 10.2872 10.2872 10.2872 10.2872 11.1286 11.1286 11.1286 11.1286 11.8798 11.8798 11.8798 11.8798 13.3470 13.3470 13.3470 13.3470 k = 0.0000 0.3357 0.2204 ( 3560 PWs) bands (ev): -0.9213 -0.9213 -0.9213 -0.9213 -0.2532 -0.2532 -0.2532 -0.2532 5.5647 5.5647 5.5647 5.5647 7.1872 7.1872 7.1872 7.1872 7.3591 7.3591 7.3591 7.3591 7.6923 7.6923 7.6923 7.6923 7.9526 7.9526 7.9526 7.9526 8.1710 8.1710 8.1710 8.1710 10.3111 10.3111 10.3111 10.3111 11.0212 11.0212 11.0212 11.0212 11.8911 11.8911 11.8911 11.8911 13.3179 13.3179 13.3179 13.3179 k = 0.0000 0.3357 0.2314 ( 3552 PWs) bands (ev): -0.8661 -0.8661 -0.8661 -0.8661 -0.3270 -0.3270 -0.3270 -0.3270 5.6293 5.6293 5.6293 5.6293 7.1859 7.1859 7.1859 7.1859 7.3750 7.3750 7.3750 7.3750 7.6856 7.6856 7.6856 7.6856 7.9288 7.9288 7.9288 7.9288 8.1732 8.1732 8.1732 8.1732 10.3404 10.3404 10.3404 10.3404 10.9220 10.9220 10.9220 10.9220 11.9017 11.9017 11.9017 11.9017 13.2930 13.2930 13.2930 13.2930 k = 0.0000 0.3357 0.2424 ( 3550 PWs) bands (ev): -0.8090 -0.8090 -0.8090 -0.8090 -0.3986 -0.3986 -0.3986 -0.3986 5.6816 5.6816 5.6816 5.6816 7.1849 7.1849 7.1849 7.1849 7.3918 7.3918 7.3918 7.3918 7.6766 7.6766 7.6766 7.6766 7.9082 7.9082 7.9082 7.9082 8.1750 8.1750 8.1750 8.1750 10.3746 10.3746 10.3746 10.3746 10.8324 10.8324 10.8324 10.8324 11.9106 11.9106 11.9106 11.9106 13.2728 13.2728 13.2728 13.2728 k = 0.0000 0.3357 0.2534 ( 3552 PWs) bands (ev): -0.7510 -0.7510 -0.7510 -0.7510 -0.4670 -0.4670 -0.4670 -0.4670 5.7201 5.7201 5.7201 5.7201 7.1841 7.1841 7.1841 7.1841 7.4075 7.4075 7.4075 7.4075 7.6665 7.6665 7.6665 7.6665 7.8925 7.8925 7.8925 7.8925 8.1764 8.1764 8.1764 8.1764 10.4117 10.4117 10.4117 10.4117 10.7553 10.7553 10.7553 10.7553 11.9174 11.9174 11.9174 11.9174 13.2581 13.2581 13.2581 13.2581 k = 0.0000 0.3357 0.2644 ( 3548 PWs) bands (ev): -0.6955 -0.6955 -0.6955 -0.6955 -0.5288 -0.5288 -0.5288 -0.5288 5.7436 5.7436 5.7436 5.7436 7.1837 7.1837 7.1837 7.1837 7.4192 7.4192 7.4192 7.4192 7.6582 7.6582 7.6582 7.6582 7.8828 7.8828 7.8828 7.8828 8.1772 8.1772 8.1772 8.1772 10.4455 10.4455 10.4455 10.4455 10.6973 10.6973 10.6973 10.6973 11.9216 11.9216 11.9216 11.9216 13.2490 13.2490 13.2490 13.2490 k = 0.0000 0.3357 0.2754 ( 3548 PWs) bands (ev): -0.6636 -0.6636 -0.6636 -0.6636 -0.5629 -0.5629 -0.5629 -0.5629 5.7516 5.7516 5.7516 5.7516 7.1835 7.1835 7.1835 7.1835 7.4236 7.4236 7.4236 7.4236 7.6549 7.6549 7.6549 7.6549 7.8795 7.8795 7.8795 7.8795 8.1775 8.1775 8.1775 8.1775 10.4610 10.4610 10.4610 10.4610 10.6737 10.6737 10.6737 10.6737 11.9230 11.9230 11.9230 11.9230 13.2460 13.2460 13.2460 13.2460 k = 0.5000-0.0000 0.2754 ( 3528 PWs) bands (ev): 0.1464 0.1464 0.1467 0.1467 1.6948 1.6948 1.7125 1.7125 4.6437 4.6437 4.7225 4.7225 6.8700 6.8700 6.9161 6.9161 7.0465 7.0465 7.0891 7.0891 7.5980 7.5980 7.6398 7.6398 7.6606 7.6606 7.6641 7.6641 7.8590 7.8590 7.8904 7.8904 8.4186 8.4186 8.4344 8.4344 8.9595 8.9595 8.9807 8.9807 9.8921 9.8921 9.9520 9.9520 11.5273 11.5273 11.6049 11.6049 k = 0.5000-0.0000 0.2644 ( 3528 PWs) bands (ev): 0.1448 0.1448 0.1451 0.1451 1.6978 1.6978 1.7154 1.7154 4.6443 4.6443 4.7230 4.7230 6.8666 6.8666 6.9058 6.9058 7.0560 7.0560 7.0896 7.0896 7.5814 7.5814 7.6225 7.6225 7.6586 7.6586 7.7008 7.7008 7.8595 7.8595 7.8894 7.8894 8.4185 8.4185 8.4343 8.4343 8.9512 8.9512 8.9716 8.9716 9.9007 9.9007 9.9593 9.9593 11.5287 11.5287 11.6063 11.6063 k = 0.5000-0.0000 0.2534 ( 3530 PWs) bands (ev): 0.1401 0.1401 0.1405 0.1405 1.7066 1.7066 1.7243 1.7243 4.6460 4.6460 4.7245 4.7245 6.8568 6.8568 6.8808 6.8808 7.0784 7.0784 7.0903 7.0903 7.5558 7.5558 7.5820 7.5820 7.6910 7.6910 7.7364 7.7364 7.8619 7.8619 7.8862 7.8862 8.4183 8.4183 8.4340 8.4340 8.9276 8.9276 8.9456 8.9456 9.9254 9.9254 9.9805 9.9805 11.5329 11.5329 11.6107 11.6107 k = 0.5000-0.0000 0.2424 ( 3534 PWs) bands (ev): 0.1325 0.1325 0.1329 0.1329 1.7211 1.7211 1.7387 1.7387 4.6490 4.6490 4.7271 4.7271 6.8416 6.8416 6.8491 6.8491 7.0898 7.0898 7.1058 7.1058 7.5318 7.5318 7.5410 7.5410 7.7260 7.7260 7.7656 7.7656 7.8691 7.8691 7.8811 7.8811 8.4180 8.4180 8.4334 8.4334 8.8915 8.8915 8.9066 8.9066 9.9632 9.9632 10.0133 10.0133 11.5399 11.5399 11.6179 11.6179 k = 0.5000-0.0000 0.2314 ( 3534 PWs) bands (ev): 0.1223 0.1223 0.1226 0.1226 1.7409 1.7409 1.7585 1.7585 4.6532 4.6532 4.7308 4.7308 6.8144 6.8144 6.8225 6.8225 7.0863 7.0863 7.1340 7.1340 7.4993 7.4993 7.5110 7.5110 7.7606 7.7606 7.7832 7.7832 7.8752 7.8752 7.8861 7.8861 8.4175 8.4175 8.4325 8.4325 8.8467 8.8467 8.8593 8.8593 10.0105 10.0105 10.0550 10.0550 11.5496 11.5496 11.6281 11.6281 k = 0.5000-0.0000 0.2204 ( 3534 PWs) bands (ev): 0.1096 0.1096 0.1100 0.1100 1.7657 1.7657 1.7831 1.7831 4.6588 4.6588 4.7356 4.7356 6.7783 6.7783 6.8006 6.8006 7.0782 7.0782 7.1612 7.1612 7.4568 7.4568 7.4937 7.4937 7.7876 7.7876 7.7901 7.7901 7.8724 7.8724 7.9142 7.9142 8.4169 8.4169 8.4313 8.4313 8.7973 8.7973 8.8082 8.8082 10.0642 10.0642 10.1030 10.1030 11.5621 11.5621 11.6410 11.6410 k = 0.5000-0.0000 0.2093 ( 3526 PWs) bands (ev): 0.0950 0.0950 0.0955 0.0955 1.7948 1.7948 1.8122 1.8122 4.6657 4.6657 4.7417 4.7417 6.7417 6.7417 6.7769 6.7769 7.0642 7.0642 7.1862 7.1862 7.4131 7.4131 7.4798 7.4798 7.7830 7.7830 7.8034 7.8034 7.8834 7.8834 7.9491 7.9491 8.4161 8.4161 8.4297 8.4297 8.7470 8.7470 8.7575 8.7575 10.1221 10.1221 10.1554 10.1554 11.5773 11.5773 11.6568 11.6568 k = 0.5000-0.0000 0.1983 ( 3522 PWs) bands (ev): 0.0788 0.0788 0.0793 0.0793 1.8278 1.8278 1.8450 1.8450 4.6742 4.6742 4.7491 4.7491 6.7048 6.7048 6.7520 6.7520 7.0435 7.0435 7.2077 7.2077 7.3680 7.3680 7.4683 7.4683 7.7731 7.7731 7.7966 7.7966 7.9118 7.9118 7.9869 7.9869 8.4153 8.4153 8.4279 8.4279 8.6989 8.6989 8.7103 8.7103 10.1824 10.1824 10.2107 10.2107 11.5950 11.5950 11.6753 11.6753 k = 0.5000-0.0000 0.1873 ( 3534 PWs) bands (ev): 0.0614 0.0614 0.0619 0.0619 1.8641 1.8641 1.8811 1.8811 4.6843 4.6843 4.7580 4.7580 6.6678 6.6678 6.7265 6.7265 7.0156 7.0156 7.2238 7.2238 7.3219 7.3219 7.4576 7.4576 7.7604 7.7604 7.7801 7.7801 7.9480 7.9480 8.0255 8.0255 8.4144 8.4144 8.4257 8.4257 8.6553 8.6553 8.6691 8.6691 10.2444 10.2444 10.2680 10.2680 11.6152 11.6152 11.6964 11.6964 k = 0.5000-0.0000 0.1763 ( 3530 PWs) bands (ev): 0.0431 0.0431 0.0436 0.0436 1.9029 1.9029 1.9197 1.9197 4.6962 4.6962 4.7684 4.7684 6.6309 6.6309 6.7009 6.7009 6.9807 6.9807 7.2269 7.2269 7.2817 7.2817 7.4462 7.4462 7.7464 7.7464 7.7605 7.7605 7.9866 7.9866 8.0641 8.0641 8.4137 8.4137 8.4235 8.4235 8.6179 8.6179 8.6352 8.6352 10.3075 10.3075 10.3270 10.3270 11.6378 11.6378 11.7200 11.7200 k = 0.5000-0.0000 0.1653 ( 3534 PWs) bands (ev): 0.0244 0.0244 0.0250 0.0250 1.9438 1.9438 1.9603 1.9603 4.7099 4.7099 4.7805 4.7805 6.5940 6.5940 6.6753 6.6753 6.9387 6.9387 7.1944 7.1944 7.2690 7.2690 7.4326 7.4326 7.7326 7.7326 7.7414 7.7414 8.0256 8.0256 8.1019 8.1019 8.4132 8.4132 8.4212 8.4212 8.5875 8.5875 8.6088 8.6088 10.3716 10.3716 10.3873 10.3873 11.6625 11.6625 11.7460 11.7460 k = 0.5000-0.0000 0.1543 ( 3536 PWs) bands (ev): 0.0056 0.0056 0.0062 0.0062 1.9860 1.9860 2.0022 2.0022 4.7256 4.7256 4.7944 4.7944 6.5570 6.5570 6.6498 6.6498 6.8900 6.8900 7.1396 7.1396 7.2705 7.2705 7.4158 7.4158 7.7204 7.7204 7.7250 7.7250 8.0643 8.0643 8.1383 8.1383 8.4134 8.4134 8.4194 8.4194 8.5642 8.5642 8.5896 8.5896 10.4366 10.4366 10.4491 10.4491 11.6890 11.6890 11.7741 11.7741 k = 0.5000-0.0000 0.1432 ( 3544 PWs) bands (ev): -0.0130 -0.0130 -0.0125 -0.0125 2.0290 2.0290 2.0447 2.0447 4.7434 4.7434 4.8101 4.8101 6.5194 6.5194 6.6242 6.6242 6.8352 6.8352 7.0780 7.0780 7.2714 7.2714 7.3959 7.3959 7.7104 7.7104 7.7125 7.7125 8.1019 8.1019 8.1730 8.1730 8.4143 8.4143 8.4183 8.4183 8.5475 8.5475 8.5766 8.5766 10.5028 10.5028 10.5124 10.5124 11.7170 11.7170 11.8040 11.8040 k = 0.5000-0.0000 0.1322 ( 3544 PWs) bands (ev): -0.0312 -0.0312 -0.0307 -0.0307 2.0721 2.0721 2.0873 2.0873 4.7634 4.7634 4.8279 4.8279 6.4811 6.4811 6.5978 6.5978 6.7759 6.7759 7.0131 7.0131 7.2699 7.2699 7.3739 7.3739 7.7033 7.7033 7.7042 7.7042 8.1382 8.1382 8.2056 8.2056 8.4162 8.4162 8.4179 8.4179 8.5366 8.5366 8.5689 8.5689 10.5705 10.5705 10.5775 10.5775 11.7459 11.7459 11.8353 11.8353 k = 0.5000-0.0000 0.1212 ( 3544 PWs) bands (ev): -0.0486 -0.0486 -0.0481 -0.0481 2.1146 2.1146 2.1293 2.1293 4.7857 4.7857 4.8476 4.8476 6.4415 6.4415 6.5686 6.5686 6.7152 6.7152 6.9472 6.9472 7.2659 7.2659 7.3513 7.3513 7.6987 7.6987 7.6994 7.6994 8.1728 8.1728 8.2357 8.2357 8.4183 8.4183 8.4189 8.4189 8.5308 8.5308 8.5652 8.5652 10.6399 10.6399 10.6447 10.6447 11.7750 11.7750 11.8672 11.8672 k = 0.5000-0.0000 0.1102 ( 3552 PWs) bands (ev): -0.0652 -0.0652 -0.0647 -0.0647 2.1561 2.1561 2.1700 2.1700 4.8103 4.8103 4.8693 4.8693 6.4001 6.4001 6.5322 6.5322 6.6589 6.6589 6.8822 6.8822 7.2602 7.2602 7.3291 7.3291 7.6964 7.6964 7.6973 7.6973 8.2053 8.2053 8.2630 8.2630 8.4192 8.4192 8.4219 8.4219 8.5295 8.5295 8.5648 8.5648 10.7114 10.7114 10.7141 10.7141 11.8032 11.8032 11.8987 11.8987 k = 0.5000-0.0000 0.0992 ( 3552 PWs) bands (ev): -0.0806 -0.0806 -0.0802 -0.0802 2.1958 2.1958 2.2089 2.2089 4.8370 4.8370 4.8928 4.8928 6.3564 6.3564 6.4829 6.4829 6.6146 6.6146 6.8203 6.8203 7.2536 7.2536 7.3083 7.3083 7.6958 7.6958 7.6970 7.6970 8.2356 8.2356 8.2874 8.2874 8.4204 8.4204 8.4250 8.4250 8.5319 8.5319 8.5668 8.5668 10.7853 10.7853 10.7861 10.7861 11.8289 11.8289 11.9284 11.9284 k = 0.5000-0.0000 0.0881 ( 3544 PWs) bands (ev): -0.0949 -0.0949 -0.0945 -0.0945 2.2333 2.2333 2.2454 2.2454 4.8658 4.8658 4.9178 4.9178 6.3102 6.3102 6.4208 6.4208 6.5841 6.5841 6.7633 6.7633 7.2465 7.2465 7.2896 7.2896 7.6964 7.6964 7.6978 7.6978 8.2633 8.2633 8.3089 8.3089 8.4219 8.4219 8.4278 8.4278 8.5373 8.5373 8.5705 8.5705 10.8607 10.8607 10.8618 10.8618 11.8501 11.8501 11.9539 11.9539 k = 0.5000-0.0000 0.0771 ( 3536 PWs) bands (ev): -0.1077 -0.1077 -0.1073 -0.1073 2.2680 2.2680 2.2789 2.2789 4.8960 4.8960 4.9439 4.9439 6.2618 6.2618 6.3521 6.3521 6.5632 6.5632 6.7125 6.7125 7.2394 7.2394 7.2730 7.2730 7.6978 7.6978 7.6993 7.6993 8.2884 8.2884 8.3274 8.3274 8.4235 8.4235 8.4300 8.4300 8.5450 8.5450 8.5753 8.5753 10.9382 10.9382 10.9412 10.9412 11.8640 11.8640 11.9714 11.9714 k = 0.5000-0.0000 0.0661 ( 3536 PWs) bands (ev): -0.1190 -0.1190 -0.1187 -0.1187 2.2993 2.2993 2.3090 2.3090 4.9273 4.9273 4.9705 4.9705 6.2124 6.2124 6.2824 6.2824 6.5482 6.5482 6.6687 6.6687 7.2329 7.2329 7.2587 7.2587 7.6994 7.6994 7.7009 7.7009 8.3106 8.3106 8.3430 8.3430 8.4249 8.4249 8.4317 8.4317 8.5539 8.5539 8.5806 8.5806 11.0184 11.0184 11.0235 11.0235 11.8666 11.8666 11.9753 11.9753 k = 0.5000-0.0000 0.0551 ( 3528 PWs) bands (ev): -0.1287 -0.1287 -0.1285 -0.1285 2.3268 2.3268 2.3351 2.3351 4.9587 4.9587 4.9965 4.9965 6.1637 6.1637 6.2159 6.2159 6.5375 6.5375 6.6320 6.6320 7.2271 7.2271 7.2466 7.2466 7.7013 7.7013 7.7027 7.7027 8.3298 8.3298 8.3558 8.3558 8.4263 8.4263 8.4328 8.4328 8.5633 8.5633 8.5857 8.5857 11.1014 11.1014 11.1089 11.1089 11.8540 11.8540 11.9582 11.9582 k = 0.5000-0.0000 0.0441 ( 3524 PWs) bands (ev): -0.1368 -0.1368 -0.1366 -0.1366 2.3501 2.3501 2.3569 2.3569 4.9889 4.9889 5.0206 5.0206 6.1183 6.1183 6.1554 6.1554 6.5304 6.5304 6.6019 6.6019 7.2223 7.2223 7.2366 7.2366 7.7030 7.7030 7.7042 7.7042 8.3460 8.3460 8.3659 8.3659 8.4276 8.4276 8.4334 8.4334 8.5724 8.5724 8.5903 8.5903 11.1869 11.1869 11.1972 11.1972 11.8230 11.8230 11.9154 11.9154 k = 0.5000-0.0000 0.0331 ( 3524 PWs) bands (ev): -0.1431 -0.1431 -0.1430 -0.1430 2.3688 2.3688 2.3740 2.3740 5.0164 5.0164 5.0413 5.0413 6.0789 6.0789 6.1039 6.1039 6.5265 6.5265 6.5777 6.5777 7.2187 7.2187 7.2287 7.2287 7.7045 7.7045 7.7054 7.7054 8.3590 8.3590 8.3733 8.3733 8.4287 8.4287 8.4336 8.4336 8.5804 8.5804 8.5938 8.5938 11.2743 11.2743 11.2882 11.2882 11.7732 11.7732 11.8490 11.8490 k = 0.5000-0.0000 0.0220 ( 3520 PWs) bands (ev): -0.1477 -0.1477 -0.1475 -0.1475 2.3827 2.3827 2.3862 2.3862 5.0395 5.0395 5.0566 5.0566 6.0487 6.0487 6.0639 6.0639 6.5258 6.5258 6.5589 6.5589 7.2164 7.2164 7.2228 7.2228 7.7056 7.7056 7.7063 7.7063 8.3689 8.3689 8.3781 8.3781 8.4299 8.4299 8.4334 8.4334 8.5871 8.5871 8.5960 8.5960 11.3628 11.3628 11.3813 11.3813 11.7079 11.7079 11.7666 11.7666 k = 0.5000-0.0000 0.0110 ( 3524 PWs) bands (ev): -0.1504 -0.1504 -0.1503 -0.1503 2.3914 2.3914 2.3932 2.3932 5.0561 5.0561 5.0649 5.0649 6.0304 6.0304 6.0376 6.0376 6.5285 6.5285 6.5447 6.5447 7.2156 7.2156 7.2186 7.2186 7.7064 7.7064 7.7067 7.7067 8.3756 8.3756 8.3801 8.3801 8.4310 8.4310 8.4328 8.4328 8.5921 8.5921 8.5965 8.5965 11.4506 11.4506 11.4742 11.4742 11.6332 11.6332 11.6763 11.6763 k = 0.5000-0.0000-0.0000 ( 3526 PWs) bands (ev): -0.1513 -0.1513 -0.1513 -0.1513 2.3950 2.3950 2.3950 2.3950 5.0648 5.0648 5.0648 5.0648 6.0264 6.0264 6.0264 6.0264 6.5347 6.5347 6.5347 6.5347 7.2163 7.2163 7.2163 7.2163 7.7068 7.7068 7.7068 7.7068 8.3794 8.3794 8.3794 8.3794 8.4320 8.4320 8.4320 8.4320 8.5952 8.5952 8.5952 8.5952 11.5259 11.5259 11.5259 11.5259 11.5935 11.5935 11.5935 11.5935 k = 0.5000 0.3357-0.0000 ( 3564 PWs) bands (ev): 0.5446 0.5446 0.5501 0.5501 1.4905 1.4905 1.4974 1.4974 5.0751 5.0751 5.0992 5.0992 5.6288 5.6288 5.7705 5.7705 6.4159 6.4159 6.5289 6.5289 7.1766 7.1766 7.2062 7.2062 7.2728 7.2728 7.5198 7.5198 8.0072 8.0072 8.0208 8.0208 8.3991 8.3991 8.4045 8.4045 8.6905 8.6905 8.7001 8.7001 10.1391 10.1391 10.2051 10.2051 14.0322 14.0322 14.2038 14.2038 k = 0.5000 0.3357 0.0110 ( 3568 PWs) bands (ev): 0.5453 0.5453 0.5509 0.5509 1.4907 1.4907 1.4976 1.4976 5.0720 5.0720 5.0954 5.0954 5.6151 5.6151 5.7523 5.7523 6.4360 6.4360 6.5440 6.5440 7.1769 7.1769 7.2049 7.2049 7.2755 7.2755 7.5198 7.5198 8.0073 8.0073 8.0214 8.0214 8.3994 8.3994 8.4050 8.4050 8.6931 8.6931 8.7030 8.7030 10.1429 10.1429 10.2085 10.2085 14.0299 14.0299 14.2012 14.2012 k = 0.5000 0.3357 0.0220 ( 3568 PWs) bands (ev): 0.5475 0.5475 0.5530 0.5530 1.4913 1.4913 1.4981 1.4981 5.0629 5.0629 5.0842 5.0842 5.5770 5.5770 5.7036 5.7036 6.4902 6.4902 6.5864 6.5864 7.1778 7.1778 7.2020 7.2020 7.2829 7.2829 7.5199 7.5199 8.0079 8.0079 8.0230 8.0230 8.4003 8.4003 8.4064 8.4064 8.7010 8.7010 8.7118 8.7118 10.1544 10.1544 10.2188 10.2188 14.0228 14.0228 14.1935 14.1935 k = 0.5000 0.3357 0.0331 ( 3564 PWs) bands (ev): 0.5511 0.5511 0.5567 0.5567 1.4922 1.4922 1.4990 1.4990 5.0477 5.0477 5.0656 5.0656 5.5208 5.5208 5.6359 5.6359 6.5668 6.5668 6.6494 6.6494 7.1796 7.1796 7.1987 7.1987 7.2935 7.2935 7.5202 7.5202 8.0089 8.0089 8.0256 8.0256 8.4016 8.4016 8.4085 8.4085 8.7145 8.7145 8.7265 8.7265 10.1735 10.1735 10.2359 10.2359 14.0109 14.0109 14.1807 14.1807 k = 0.5000 0.3357 0.0441 ( 3560 PWs) bands (ev): 0.5562 0.5562 0.5617 0.5617 1.4935 1.4935 1.5002 1.5002 5.0266 5.0266 5.0400 5.0400 5.4531 5.4531 5.5589 5.5589 6.6557 6.6557 6.7258 6.7258 7.1827 7.1827 7.1965 7.1965 7.3062 7.3062 7.5207 7.5207 8.0103 8.0103 8.0290 8.0290 8.4033 8.4033 8.4112 8.4112 8.7336 8.7336 8.7473 8.7473 10.2003 10.2003 10.2600 10.2600 13.9944 13.9944 14.1628 14.1628 k = 0.5000 0.3357 0.0551 ( 3556 PWs) bands (ev): 0.5626 0.5626 0.5681 0.5681 1.4951 1.4951 1.5017 1.5017 4.9997 4.9997 5.0077 5.0077 5.3795 5.3795 5.4783 5.4783 6.7500 6.7500 6.8091 6.8091 7.1880 7.1880 7.1964 7.1964 7.3203 7.3203 7.5216 7.5216 8.0119 8.0119 8.0329 8.0329 8.4051 8.4051 8.4142 8.4142 8.7588 8.7588 8.7744 8.7744 10.2349 10.2349 10.2910 10.2910 13.9730 13.9730 14.1399 14.1399 k = 0.5000 0.3357 0.0661 ( 3560 PWs) bands (ev): 0.5704 0.5704 0.5757 0.5757 1.4970 1.4970 1.5034 1.5034 4.9671 4.9671 4.9691 4.9691 5.3039 5.3039 5.3978 5.3978 6.8445 6.8445 6.8933 6.8933 7.1968 7.1968 7.1999 7.1999 7.3353 7.3353 7.5234 7.5234 8.0138 8.0138 8.0370 8.0370 8.4070 8.4070 8.4173 8.4173 8.7903 8.7903 8.8078 8.8078 10.2772 10.2772 10.3291 10.3291 13.9467 13.9467 14.1119 14.1119 k = 0.5000 0.3357 0.0771 ( 3568 PWs) bands (ev): 0.5793 0.5793 0.5846 0.5846 1.4991 1.4991 1.5052 1.5052 4.9248 4.9248 4.9287 4.9287 5.2293 5.2293 5.3195 5.3195 6.9335 6.9335 6.9718 6.9718 7.2095 7.2095 7.2125 7.2125 7.3513 7.3513 7.5265 7.5265 8.0160 8.0160 8.0412 8.0412 8.4089 8.4089 8.4204 8.4204 8.8284 8.8284 8.8478 8.8478 10.3273 10.3273 10.3743 10.3743 13.9155 13.9155 14.0787 14.0787 k = 0.5000 0.3357 0.0881 ( 3560 PWs) bands (ev): 0.5894 0.5894 0.5946 0.5946 1.5013 1.5013 1.5072 1.5072 4.8756 4.8756 4.8849 4.8849 5.1578 5.1578 5.2446 5.2446 7.0095 7.0095 7.0362 7.0362 7.2298 7.2298 7.2400 7.2400 7.3692 7.3692 7.5320 7.5320 8.0185 8.0185 8.0456 8.0456 8.4107 8.4107 8.4234 8.4234 8.8734 8.8734 8.8945 8.8945 10.3851 10.3851 10.4265 10.4265 13.8792 13.8792 14.0400 14.0400 k = 0.5000 0.3357 0.0992 ( 3552 PWs) bands (ev): 0.6005 0.6005 0.6055 0.6055 1.5036 1.5036 1.5093 1.5093 4.8226 4.8226 4.8359 4.8359 5.0908 5.0908 5.1739 5.1739 7.0640 7.0640 7.0800 7.0800 7.2647 7.2647 7.2821 7.2821 7.3914 7.3914 7.5418 7.5418 8.0212 8.0212 8.0498 8.0498 8.4124 8.4124 8.4262 8.4262 8.9255 8.9255 8.9481 8.9481 10.4505 10.4505 10.4858 10.4858 13.8376 13.8376 13.9957 13.9957 k = 0.5000 0.3357 0.1102 ( 3544 PWs) bands (ev): 0.6125 0.6125 0.6174 0.6174 1.5060 1.5060 1.5113 1.5113 4.7667 4.7667 4.7826 4.7826 5.0290 5.0290 5.1076 5.1076 7.0960 7.0960 7.1056 7.1056 7.3074 7.3074 7.3316 7.3316 7.4241 7.4241 7.5590 7.5590 8.0243 8.0243 8.0539 8.0539 8.4140 8.4140 8.4286 8.4286 8.9847 8.9847 9.0085 9.0085 10.5233 10.5233 10.5520 10.5520 13.7906 13.7906 13.9455 13.9455 k = 0.5000 0.3357 0.1212 ( 3548 PWs) bands (ev): 0.6253 0.6253 0.6300 0.6300 1.5082 1.5082 1.5133 1.5133 4.7093 4.7093 4.7263 4.7263 4.9724 4.9724 5.0455 5.0455 7.1137 7.1137 7.1204 7.1204 7.3418 7.3418 7.3754 7.3754 7.4738 7.4738 7.5875 7.5875 8.0275 8.0275 8.0578 8.0578 8.4153 8.4153 8.4307 8.4307 9.0510 9.0510 9.0758 9.0758 10.6031 10.6031 10.6249 10.6249 13.7380 13.7380 13.8892 13.8892 k = 0.5000 0.3357 0.1322 ( 3544 PWs) bands (ev): 0.6386 0.6386 0.6432 0.6432 1.5104 1.5104 1.5151 1.5151 4.6516 4.6516 4.6685 4.6685 4.9206 4.9206 4.9875 4.9875 7.1242 7.1242 7.1298 7.1298 7.3638 7.3638 7.4060 7.4060 7.5363 7.5363 7.6287 7.6287 8.0312 8.0312 8.0618 8.0618 8.4167 8.4167 8.4326 8.4326 9.1244 9.1244 9.1499 9.1499 10.6896 10.6896 10.7043 10.7043 13.6798 13.6798 13.8265 13.8265 k = 0.5000 0.3357 0.1432 ( 3544 PWs) bands (ev): 0.6524 0.6524 0.6568 0.6568 1.5123 1.5123 1.5167 1.5167 4.5949 4.5949 4.6109 4.6109 4.8728 4.8728 4.9333 4.9333 7.1313 7.1313 7.1364 7.1364 7.3784 7.3784 7.4240 7.4240 7.6020 7.6020 7.6779 7.6779 8.0352 8.0352 8.0657 8.0657 8.4179 8.4179 8.4342 8.4342 9.2044 9.2044 9.2303 9.2303 10.7822 10.7822 10.7897 10.7897 13.6162 13.6162 13.7575 13.7575 k = 0.5000 0.3357 0.1543 ( 3532 PWs) bands (ev): 0.6664 0.6664 0.6705 0.6705 1.5141 1.5141 1.5181 1.5181 4.5401 4.5401 4.5549 4.5549 4.8288 4.8288 4.8829 4.8829 7.1368 7.1368 7.1416 7.1416 7.3891 7.3891 7.4339 7.4339 7.6649 7.6649 7.7291 7.7291 8.0398 8.0398 8.0698 8.0698 8.4191 8.4191 8.4355 8.4355 9.2904 9.2904 9.3165 9.3165 10.8804 10.8804 10.8806 10.8806 13.5473 13.5473 13.6823 13.6823 k = 0.5000 0.3357 0.1653 ( 3528 PWs) bands (ev): 0.6804 0.6804 0.6843 0.6843 1.5155 1.5155 1.5192 1.5192 4.4882 4.4882 4.5015 4.5015 4.7882 4.7882 4.8361 4.8361 7.1414 7.1414 7.1458 7.1458 7.3973 7.3973 7.4391 7.4391 7.7225 7.7225 7.7775 7.7775 8.0449 8.0449 8.0742 8.0742 8.4203 8.4203 8.4366 8.4366 9.3813 9.3813 9.4074 9.4074 10.9764 10.9764 10.9834 10.9834 13.4737 13.4737 13.6015 13.6015 k = 0.5000 0.3357 0.1763 ( 3536 PWs) bands (ev): 0.6941 0.6941 0.6978 0.6978 1.5167 1.5167 1.5200 1.5200 4.4397 4.4397 4.4516 4.4516 4.7509 4.7509 4.7929 4.7929 7.1453 7.1453 7.1494 7.1494 7.4038 7.4038 7.4415 7.4415 7.7733 7.7733 7.8208 7.8208 8.0507 8.0507 8.0790 8.0790 8.4214 8.4214 8.4373 8.4373 9.4758 9.4758 9.5015 9.5015 11.0763 11.0763 11.0903 11.0903 13.3963 13.3963 13.5159 13.5159 k = 0.5000 0.3357 0.1873 ( 3532 PWs) bands (ev): 0.7074 0.7074 0.7108 0.7108 1.5176 1.5176 1.5205 1.5205 4.3954 4.3954 4.4057 4.4057 4.7170 4.7170 4.7534 4.7534 7.1488 7.1488 7.1526 7.1526 7.4093 7.4093 7.4423 7.4423 7.8171 7.8171 7.8577 7.8577 8.0573 8.0573 8.0843 8.0843 8.4226 8.4226 8.4378 8.4378 9.5721 9.5721 9.5972 9.5972 11.1795 11.1795 11.1998 11.1998 13.3164 13.3164 13.4269 13.4269 k = 0.5000 0.3357 0.1983 ( 3540 PWs) bands (ev): 0.7200 0.7200 0.7230 0.7230 1.5182 1.5182 1.5208 1.5208 4.3556 4.3556 4.3644 4.3644 4.6867 4.6867 4.7178 4.7178 7.1519 7.1519 7.1553 7.1553 7.4137 7.4137 7.4421 7.4421 7.8536 7.8536 7.8880 7.8880 8.0647 8.0647 8.0900 8.0900 8.4238 8.4238 8.4381 8.4381 9.6682 9.6682 9.6923 9.6923 11.2844 11.2844 11.3106 11.3106 13.2357 13.2357 13.3362 13.3362 k = 0.5000 0.3357 0.2093 ( 3544 PWs) bands (ev): 0.7316 0.7316 0.7343 0.7343 1.5186 1.5186 1.5208 1.5208 4.3206 4.3206 4.3281 4.3281 4.6601 4.6601 4.6861 4.6861 7.1547 7.1547 7.1577 7.1577 7.4174 7.4174 7.4413 7.4413 7.8833 7.8833 7.9117 7.9117 8.0728 8.0728 8.0960 8.0960 8.4251 8.4251 8.4381 8.4381 9.7615 9.7615 9.7841 9.7841 11.3897 11.3897 11.4207 11.4207 13.1566 13.1566 13.2462 13.2462 k = 0.5000 0.3357 0.2204 ( 3540 PWs) bands (ev): 0.7420 0.7420 0.7443 0.7443 1.5188 1.5188 1.5206 1.5206 4.2907 4.2907 4.2969 4.2969 4.6374 4.6374 4.6587 4.6587 7.1573 7.1573 7.1598 7.1598 7.4206 7.4206 7.4401 7.4401 7.9067 7.9067 7.9296 7.9296 8.0815 8.0815 8.1020 8.1020 8.4265 8.4265 8.4379 8.4379 9.8492 9.8492 9.8697 9.8697 11.4932 11.4932 11.5274 11.5274 13.0821 13.0821 13.1600 13.1600 k = 0.5000 0.3357 0.2314 ( 3540 PWs) bands (ev): 0.7510 0.7510 0.7528 0.7528 1.5189 1.5189 1.5203 1.5203 4.2662 4.2662 4.2710 4.2710 4.6188 4.6188 4.6356 4.6356 7.1594 7.1594 7.1615 7.1615 7.4233 7.4233 7.4387 7.4387 7.9246 7.9246 7.9424 7.9424 8.0900 8.0900 8.1074 8.1074 8.4279 8.4279 8.4374 8.4374 9.9283 9.9283 9.9460 9.9460 11.5919 11.5919 11.6271 11.6271 13.0153 13.0153 13.0807 13.0807 k = 0.5000 0.3357 0.2424 ( 3536 PWs) bands (ev): 0.7582 0.7582 0.7596 0.7596 1.5188 1.5188 1.5199 1.5199 4.2471 4.2471 4.2507 4.2507 4.6046 4.6046 4.6171 4.6171 7.1612 7.1612 7.1628 7.1628 7.4257 7.4257 7.4370 7.4370 7.9379 7.9379 7.9509 7.9509 8.0981 8.0981 8.1116 8.1116 8.4294 8.4294 8.4367 8.4367 9.9953 9.9953 10.0095 10.0095 11.6816 11.6816 11.7146 11.7146 12.9602 12.9602 13.0118 13.0118 k = 0.5000 0.3357 0.2534 ( 3536 PWs) bands (ev): 0.7636 0.7636 0.7646 0.7646 1.5188 1.5188 1.5195 1.5195 4.2335 4.2335 4.2359 4.2359 4.5949 4.5949 4.6031 4.6031 7.1626 7.1626 7.1637 7.1637 7.4279 7.4279 7.4353 7.4353 7.9473 7.9473 7.9558 7.9558 8.1049 8.1049 8.1142 8.1142 8.4308 8.4308 8.4359 8.4359 10.0469 10.0469 10.0569 10.0569 11.7568 11.7568 11.7832 11.7832 12.9204 12.9204 12.9568 12.9568 k = 0.5000 0.3357 0.2644 ( 3540 PWs) bands (ev): 0.7670 0.7670 0.7675 0.7675 1.5189 1.5189 1.5192 1.5192 4.2256 4.2256 4.2268 4.2268 4.5898 4.5898 4.5939 4.5939 7.1636 7.1636 7.1641 7.1641 7.4299 7.4299 7.4336 7.4336 7.9535 7.9535 7.9577 7.9577 8.1102 8.1102 8.1149 8.1149 8.4323 8.4323 8.4348 8.4348 10.0804 10.0804 10.0855 10.0855 11.8103 11.8103 11.8252 11.8252 12.8993 12.8993 12.9183 12.9183 k = 0.5000 0.3357 0.2754 ( 3544 PWs) bands (ev): 0.7683 0.7683 0.7683 0.7683 1.5190 1.5190 1.5190 1.5190 4.2234 4.2234 4.2234 4.2234 4.5895 4.5895 4.5895 4.5895 7.1640 7.1640 7.1640 7.1640 7.4317 7.4317 7.4317 7.4317 7.9569 7.9569 7.9569 7.9569 8.1135 8.1135 8.1135 8.1135 8.4336 8.4336 8.4336 8.4336 10.0935 10.0935 10.0935 10.0935 11.8346 11.8346 11.8346 11.8346 12.8987 12.8987 12.8987 12.8987 Writing output data file NiSb2.save init_run : 0.43s CPU 0.72s WALL ( 1 calls) electrons : 418.38s CPU 422.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 418.37s CPU 422.86s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.19s CPU 0.19s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 420 calls) cegterg : 392.27s CPU 396.19s WALL ( 929 calls) Called by sum_band: Called by *egterg: h_psi : 238.23s CPU 247.80s WALL ( 15761 calls) s_psi : 31.97s CPU 32.17s WALL ( 15761 calls) g_psi : 0.47s CPU 0.55s WALL ( 14412 calls) cdiaghg : 97.90s CPU 92.55s WALL ( 14832 calls) cegterg:over : 19.25s CPU 17.45s WALL ( 14412 calls) cegterg:upda : 4.92s CPU 8.64s WALL ( 14412 calls) cegterg:last : 5.39s CPU 6.46s WALL ( 2609 calls) Called by h_psi: h_psi:vloc : 202.72s CPU 208.21s WALL ( 15761 calls) h_psi:vnl : 35.38s CPU 39.21s WALL ( 15761 calls) add_vuspsi : 18.77s CPU 22.30s WALL ( 15761 calls) General routines calbec : 16.59s CPU 16.87s WALL ( 15761 calls) fft : 0.02s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 200.98s CPU 201.15s WALL ( 1558016 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.05s CPU 0.16s WALL ( 840 calls) Parallel routines fft_scatter : 187.59s CPU 139.20s WALL ( 1558039 calls) PWSCF : 7m25.19s CPU 7m40.97s WALL This run was terminated on: 16:52: 4 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=