Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:56: 4 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./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: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 34 23 7 1356 780 129 Max 35 24 8 1363 794 132 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: /users/gautes/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: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential 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 and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] 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 0.15 Mb ( 208, 48) NL pseudopotentials 0.32 Mb ( 104, 204) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1363) G-vector shells 0.01 Mb ( 699) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.61 Mb ( 208, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) 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 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.2 secs Computing kpt #: 6 total cpu time spent up to now is 4.6 secs Computing kpt #: 7 total cpu time spent up to now is 5.1 secs Computing kpt #: 8 total cpu time spent up to now is 5.5 secs Computing kpt #: 9 total cpu time spent up to now is 5.9 secs Computing kpt #: 10 total cpu time spent up to now is 6.3 secs Computing kpt #: 11 total cpu time spent up to now is 6.7 secs Computing kpt #: 12 total cpu time spent up to now is 7.1 secs Computing kpt #: 13 total cpu time spent up to now is 7.5 secs Computing kpt #: 14 total cpu time spent up to now is 7.9 secs Computing kpt #: 15 total cpu time spent up to now is 8.2 secs Computing kpt #: 16 total cpu time spent up to now is 8.6 secs Computing kpt #: 17 total cpu time spent up to now is 9.0 secs Computing kpt #: 18 total cpu time spent up to now is 9.4 secs Computing kpt #: 19 total cpu time spent up to now is 9.8 secs Computing kpt #: 20 total cpu time spent up to now is 10.2 secs Computing kpt #: 21 total cpu time spent up to now is 10.5 secs Computing kpt #: 22 total cpu time spent up to now is 10.9 secs Computing kpt #: 23 total cpu time spent up to now is 11.3 secs Computing kpt #: 24 total cpu time spent up to now is 11.7 secs Computing kpt #: 25 total cpu time spent up to now is 12.1 secs Computing kpt #: 26 total cpu time spent up to now is 12.5 secs Computing kpt #: 27 total cpu time spent up to now is 13.0 secs Computing kpt #: 28 total cpu time spent up to now is 13.3 secs Computing kpt #: 29 total cpu time spent up to now is 13.7 secs Computing kpt #: 30 total cpu time spent up to now is 14.1 secs Computing kpt #: 31 total cpu time spent up to now is 14.5 secs Computing kpt #: 32 total cpu time spent up to now is 14.9 secs Computing kpt #: 33 total cpu time spent up to now is 15.3 secs Computing kpt #: 34 total cpu time spent up to now is 15.7 secs Computing kpt #: 35 total cpu time spent up to now is 16.1 secs Computing kpt #: 36 total cpu time spent up to now is 16.4 secs Computing kpt #: 37 total cpu time spent up to now is 16.8 secs Computing kpt #: 38 total cpu time spent up to now is 17.2 secs Computing kpt #: 39 total cpu time spent up to now is 17.6 secs Computing kpt #: 40 total cpu time spent up to now is 18.0 secs Computing kpt #: 41 total cpu time spent up to now is 18.4 secs Computing kpt #: 42 total cpu time spent up to now is 18.8 secs Computing kpt #: 43 total cpu time spent up to now is 19.2 secs Computing kpt #: 44 total cpu time spent up to now is 19.6 secs Computing kpt #: 45 total cpu time spent up to now is 20.0 secs Computing kpt #: 46 total cpu time spent up to now is 20.4 secs Computing kpt #: 47 total cpu time spent up to now is 20.8 secs Computing kpt #: 48 total cpu time spent up to now is 21.2 secs Computing kpt #: 49 total cpu time spent up to now is 21.6 secs Computing kpt #: 50 total cpu time spent up to now is 22.0 secs Computing kpt #: 51 total cpu time spent up to now is 22.4 secs Computing kpt #: 52 total cpu time spent up to now is 22.8 secs Computing kpt #: 53 total cpu time spent up to now is 23.2 secs Computing kpt #: 54 total cpu time spent up to now is 23.6 secs Computing kpt #: 55 total cpu time spent up to now is 24.0 secs Computing kpt #: 56 total cpu time spent up to now is 24.3 secs Computing kpt #: 57 total cpu time spent up to now is 24.7 secs Computing kpt #: 58 total cpu time spent up to now is 25.1 secs Computing kpt #: 59 total cpu time spent up to now is 25.5 secs Computing kpt #: 60 total cpu time spent up to now is 25.9 secs Computing kpt #: 61 total cpu time spent up to now is 26.2 secs Computing kpt #: 62 total cpu time spent up to now is 26.6 secs Computing kpt #: 63 total cpu time spent up to now is 27.0 secs Computing kpt #: 64 total cpu time spent up to now is 27.3 secs Computing kpt #: 65 total cpu time spent up to now is 27.7 secs Computing kpt #: 66 total cpu time spent up to now is 28.0 secs Computing kpt #: 67 total cpu time spent up to now is 28.4 secs Computing kpt #: 68 total cpu time spent up to now is 28.8 secs Computing kpt #: 69 total cpu time spent up to now is 29.1 secs Computing kpt #: 70 total cpu time spent up to now is 29.5 secs Computing kpt #: 71 total cpu time spent up to now is 29.9 secs Computing kpt #: 72 total cpu time spent up to now is 30.2 secs Computing kpt #: 73 total cpu time spent up to now is 30.6 secs Computing kpt #: 74 total cpu time spent up to now is 31.0 secs Computing kpt #: 75 total cpu time spent up to now is 31.4 secs Computing kpt #: 76 total cpu time spent up to now is 31.8 secs Computing kpt #: 77 total cpu time spent up to now is 32.2 secs Computing kpt #: 78 total cpu time spent up to now is 32.6 secs Computing kpt #: 79 total cpu time spent up to now is 33.1 secs Computing kpt #: 80 total cpu time spent up to now is 33.6 secs Computing kpt #: 81 total cpu time spent up to now is 34.1 secs Computing kpt #: 82 total cpu time spent up to now is 34.5 secs Computing kpt #: 83 total cpu time spent up to now is 34.9 secs Computing kpt #: 84 total cpu time spent up to now is 35.3 secs Computing kpt #: 85 total cpu time spent up to now is 35.7 secs Computing kpt #: 86 total cpu time spent up to now is 36.2 secs Computing kpt #: 87 total cpu time spent up to now is 36.6 secs Computing kpt #: 88 total cpu time spent up to now is 37.0 secs Computing kpt #: 89 total cpu time spent up to now is 37.4 secs Computing kpt #: 90 total cpu time spent up to now is 37.8 secs Computing kpt #: 91 total cpu time spent up to now is 38.1 secs Computing kpt #: 92 total cpu time spent up to now is 38.5 secs Computing kpt #: 93 total cpu time spent up to now is 38.9 secs Computing kpt #: 94 total cpu time spent up to now is 39.3 secs Computing kpt #: 95 total cpu time spent up to now is 39.6 secs Computing kpt #: 96 total cpu time spent up to now is 40.0 secs Computing kpt #: 97 total cpu time spent up to now is 40.4 secs Computing kpt #: 98 total cpu time spent up to now is 40.7 secs Computing kpt #: 99 total cpu time spent up to now is 41.1 secs Computing kpt #: 100 total cpu time spent up to now is 41.5 secs Computing kpt #: 101 total cpu time spent up to now is 41.9 secs Computing kpt #: 102 total cpu time spent up to now is 42.2 secs Computing kpt #: 103 total cpu time spent up to now is 42.6 secs Computing kpt #: 104 total cpu time spent up to now is 43.0 secs Computing kpt #: 105 total cpu time spent up to now is 43.4 secs Computing kpt #: 106 total cpu time spent up to now is 43.7 secs Computing kpt #: 107 total cpu time spent up to now is 44.1 secs Computing kpt #: 108 total cpu time spent up to now is 44.5 secs Computing kpt #: 109 total cpu time spent up to now is 44.9 secs Computing kpt #: 110 total cpu time spent up to now is 45.3 secs Computing kpt #: 111 total cpu time spent up to now is 45.7 secs Computing kpt #: 112 total cpu time spent up to now is 46.1 secs Computing kpt #: 113 total cpu time spent up to now is 46.5 secs Computing kpt #: 114 total cpu time spent up to now is 46.9 secs Computing kpt #: 115 total cpu time spent up to now is 47.3 secs Computing kpt #: 116 total cpu time spent up to now is 47.7 secs Computing kpt #: 117 total cpu time spent up to now is 48.1 secs Computing kpt #: 118 total cpu time spent up to now is 48.5 secs Computing kpt #: 119 total cpu time spent up to now is 48.9 secs Computing kpt #: 120 total cpu time spent up to now is 49.3 secs Computing kpt #: 121 total cpu time spent up to now is 49.8 secs Computing kpt #: 122 total cpu time spent up to now is 50.3 secs Computing kpt #: 123 total cpu time spent up to now is 50.7 secs Computing kpt #: 124 total cpu time spent up to now is 51.2 secs Computing kpt #: 125 total cpu time spent up to now is 51.6 secs Computing kpt #: 126 total cpu time spent up to now is 52.0 secs Computing kpt #: 127 total cpu time spent up to now is 52.5 secs Computing kpt #: 128 total cpu time spent up to now is 52.9 secs Computing kpt #: 129 total cpu time spent up to now is 53.4 secs Computing kpt #: 130 total cpu time spent up to now is 53.9 secs Computing kpt #: 131 total cpu time spent up to now is 54.5 secs Computing kpt #: 132 total cpu time spent up to now is 55.1 secs Computing kpt #: 133 total cpu time spent up to now is 56.0 secs Computing kpt #: 134 total cpu time spent up to now is 56.8 secs Computing kpt #: 135 total cpu time spent up to now is 57.6 secs Computing kpt #: 136 total cpu time spent up to now is 58.7 secs Computing kpt #: 137 total cpu time spent up to now is 59.9 secs Computing kpt #: 138 total cpu time spent up to now is 60.9 secs Computing kpt #: 139 total cpu time spent up to now is 61.6 secs Computing kpt #: 140 total cpu time spent up to now is 62.4 secs Computing kpt #: 141 total cpu time spent up to now is 63.2 secs Computing kpt #: 142 total cpu time spent up to now is 64.0 secs Computing kpt #: 143 total cpu time spent up to now is 64.8 secs Computing kpt #: 144 total cpu time spent up to now is 65.7 secs Computing kpt #: 145 total cpu time spent up to now is 66.7 secs Computing kpt #: 146 total cpu time spent up to now is 67.5 secs Computing kpt #: 147 total cpu time spent up to now is 68.1 secs Computing kpt #: 148 total cpu time spent up to now is 68.6 secs Computing kpt #: 149 total cpu time spent up to now is 69.1 secs Computing kpt #: 150 total cpu time spent up to now is 69.5 secs Computing kpt #: 151 total cpu time spent up to now is 70.0 secs Computing kpt #: 152 total cpu time spent up to now is 70.4 secs Computing kpt #: 153 total cpu time spent up to now is 70.8 secs Computing kpt #: 154 total cpu time spent up to now is 71.2 secs Computing kpt #: 155 total cpu time spent up to now is 71.6 secs Computing kpt #: 156 total cpu time spent up to now is 72.0 secs Computing kpt #: 157 total cpu time spent up to now is 72.4 secs Computing kpt #: 158 total cpu time spent up to now is 72.9 secs Computing kpt #: 159 total cpu time spent up to now is 73.3 secs Computing kpt #: 160 total cpu time spent up to now is 73.7 secs Computing kpt #: 161 total cpu time spent up to now is 74.1 secs Computing kpt #: 162 total cpu time spent up to now is 74.5 secs Computing kpt #: 163 total cpu time spent up to now is 74.9 secs Computing kpt #: 164 total cpu time spent up to now is 75.3 secs Computing kpt #: 165 total cpu time spent up to now is 75.7 secs Computing kpt #: 166 total cpu time spent up to now is 76.1 secs Computing kpt #: 167 total cpu time spent up to now is 76.5 secs Computing kpt #: 168 total cpu time spent up to now is 77.0 secs Computing kpt #: 169 total cpu time spent up to now is 77.5 secs Computing kpt #: 170 total cpu time spent up to now is 78.0 secs Computing kpt #: 171 total cpu time spent up to now is 78.5 secs Computing kpt #: 172 total cpu time spent up to now is 79.0 secs Computing kpt #: 173 total cpu time spent up to now is 79.5 secs Computing kpt #: 174 total cpu time spent up to now is 80.0 secs Computing kpt #: 175 total cpu time spent up to now is 80.4 secs Computing kpt #: 176 total cpu time spent up to now is 80.9 secs Computing kpt #: 177 total cpu time spent up to now is 81.3 secs Computing kpt #: 178 total cpu time spent up to now is 81.7 secs Computing kpt #: 179 total cpu time spent up to now is 82.1 secs Computing kpt #: 180 total cpu time spent up to now is 82.5 secs Computing kpt #: 181 total cpu time spent up to now is 82.9 secs Computing kpt #: 182 total cpu time spent up to now is 83.3 secs Computing kpt #: 183 total cpu time spent up to now is 83.7 secs Computing kpt #: 184 total cpu time spent up to now is 84.1 secs Computing kpt #: 185 total cpu time spent up to now is 84.5 secs Computing kpt #: 186 total cpu time spent up to now is 84.9 secs Computing kpt #: 187 total cpu time spent up to now is 85.3 secs Computing kpt #: 188 total cpu time spent up to now is 85.7 secs Computing kpt #: 189 total cpu time spent up to now is 86.1 secs Computing kpt #: 190 total cpu time spent up to now is 86.5 secs Computing kpt #: 191 total cpu time spent up to now is 86.9 secs Computing kpt #: 192 total cpu time spent up to now is 87.3 secs Computing kpt #: 193 total cpu time spent up to now is 87.7 secs Computing kpt #: 194 total cpu time spent up to now is 88.1 secs Computing kpt #: 195 total cpu time spent up to now is 88.5 secs Computing kpt #: 196 total cpu time spent up to now is 89.0 secs Computing kpt #: 197 total cpu time spent up to now is 89.4 secs Computing kpt #: 198 total cpu time spent up to now is 90.0 secs Computing kpt #: 199 total cpu time spent up to now is 90.5 secs Computing kpt #: 200 total cpu time spent up to now is 91.1 secs Computing kpt #: 201 total cpu time spent up to now is 91.6 secs Computing kpt #: 202 total cpu time spent up to now is 92.0 secs Computing kpt #: 203 total cpu time spent up to now is 92.4 secs Computing kpt #: 204 total cpu time spent up to now is 92.8 secs Computing kpt #: 205 total cpu time spent up to now is 93.2 secs Computing kpt #: 206 total cpu time spent up to now is 93.7 secs Computing kpt #: 207 total cpu time spent up to now is 94.1 secs Computing kpt #: 208 total cpu time spent up to now is 94.5 secs Computing kpt #: 209 total cpu time spent up to now is 94.9 secs Computing kpt #: 210 total cpu time spent up to now is 95.3 secs Computing kpt #: 211 total cpu time spent up to now is 95.8 secs Computing kpt #: 212 total cpu time spent up to now is 96.2 secs Computing kpt #: 213 total cpu time spent up to now is 96.6 secs Computing kpt #: 214 total cpu time spent up to now is 97.0 secs Computing kpt #: 215 total cpu time spent up to now is 97.4 secs Computing kpt #: 216 total cpu time spent up to now is 97.8 secs Computing kpt #: 217 total cpu time spent up to now is 98.2 secs Computing kpt #: 218 total cpu time spent up to now is 98.5 secs Computing kpt #: 219 total cpu time spent up to now is 98.9 secs Computing kpt #: 220 total cpu time spent up to now is 99.3 secs Computing kpt #: 221 total cpu time spent up to now is 99.7 secs Computing kpt #: 222 total cpu time spent up to now is 100.1 secs Computing kpt #: 223 total cpu time spent up to now is 100.5 secs Computing kpt #: 224 total cpu time spent up to now is 100.8 secs Computing kpt #: 225 total cpu time spent up to now is 101.2 secs Computing kpt #: 226 total cpu time spent up to now is 101.6 secs Computing kpt #: 227 total cpu time spent up to now is 102.0 secs Computing kpt #: 228 total cpu time spent up to now is 102.3 secs Computing kpt #: 229 total cpu time spent up to now is 102.7 secs Computing kpt #: 230 total cpu time spent up to now is 103.1 secs Computing kpt #: 231 total cpu time spent up to now is 103.5 secs Computing kpt #: 232 total cpu time spent up to now is 103.8 secs Computing kpt #: 233 total cpu time spent up to now is 104.2 secs Computing kpt #: 234 total cpu time spent up to now is 104.6 secs Computing kpt #: 235 total cpu time spent up to now is 105.0 secs Computing kpt #: 236 total cpu time spent up to now is 105.4 secs Computing kpt #: 237 total cpu time spent up to now is 105.8 secs Computing kpt #: 238 total cpu time spent up to now is 106.2 secs Computing kpt #: 239 total cpu time spent up to now is 106.6 secs Computing kpt #: 240 total cpu time spent up to now is 107.0 secs Computing kpt #: 241 total cpu time spent up to now is 107.4 secs Computing kpt #: 242 total cpu time spent up to now is 107.9 secs Computing kpt #: 243 total cpu time spent up to now is 108.3 secs Computing kpt #: 244 total cpu time spent up to now is 108.7 secs Computing kpt #: 245 total cpu time spent up to now is 109.1 secs Computing kpt #: 246 total cpu time spent up to now is 109.5 secs Computing kpt #: 247 total cpu time spent up to now is 109.9 secs Computing kpt #: 248 total cpu time spent up to now is 110.3 secs Computing kpt #: 249 total cpu time spent up to now is 110.7 secs Computing kpt #: 250 total cpu time spent up to now is 111.1 secs Computing kpt #: 251 total cpu time spent up to now is 111.6 secs Computing kpt #: 252 total cpu time spent up to now is 112.0 secs Computing kpt #: 253 total cpu time spent up to now is 112.4 secs Computing kpt #: 254 total cpu time spent up to now is 112.8 secs Computing kpt #: 255 total cpu time spent up to now is 113.2 secs Computing kpt #: 256 total cpu time spent up to now is 113.6 secs Computing kpt #: 257 total cpu time spent up to now is 114.1 secs Computing kpt #: 258 total cpu time spent up to now is 114.5 secs Computing kpt #: 259 total cpu time spent up to now is 114.9 secs Computing kpt #: 260 total cpu time spent up to now is 115.3 secs Computing kpt #: 261 total cpu time spent up to now is 115.8 secs Computing kpt #: 262 total cpu time spent up to now is 116.3 secs Computing kpt #: 263 total cpu time spent up to now is 116.8 secs Computing kpt #: 264 total cpu time spent up to now is 117.3 secs Computing kpt #: 265 total cpu time spent up to now is 117.8 secs Computing kpt #: 266 total cpu time spent up to now is 118.3 secs Computing kpt #: 267 total cpu time spent up to now is 118.8 secs Computing kpt #: 268 total cpu time spent up to now is 119.3 secs Computing kpt #: 269 total cpu time spent up to now is 119.8 secs Computing kpt #: 270 total cpu time spent up to now is 120.3 secs Computing kpt #: 271 total cpu time spent up to now is 120.7 secs Computing kpt #: 272 total cpu time spent up to now is 121.1 secs Computing kpt #: 273 total cpu time spent up to now is 121.6 secs Computing kpt #: 274 total cpu time spent up to now is 122.0 secs Computing kpt #: 275 total cpu time spent up to now is 122.4 secs Computing kpt #: 276 total cpu time spent up to now is 122.8 secs Computing kpt #: 277 total cpu time spent up to now is 123.2 secs Computing kpt #: 278 total cpu time spent up to now is 123.6 secs Computing kpt #: 279 total cpu time spent up to now is 124.0 secs Computing kpt #: 280 total cpu time spent up to now is 124.4 secs Computing kpt #: 281 total cpu time spent up to now is 124.8 secs Computing kpt #: 282 total cpu time spent up to now is 125.2 secs Computing kpt #: 283 total cpu time spent up to now is 125.6 secs Computing kpt #: 284 total cpu time spent up to now is 125.9 secs Computing kpt #: 285 total cpu time spent up to now is 126.3 secs Computing kpt #: 286 total cpu time spent up to now is 126.7 secs Computing kpt #: 287 total cpu time spent up to now is 127.1 secs Computing kpt #: 288 total cpu time spent up to now is 127.5 secs Computing kpt #: 289 total cpu time spent up to now is 127.9 secs Computing kpt #: 290 total cpu time spent up to now is 128.3 secs Computing kpt #: 291 total cpu time spent up to now is 128.7 secs Computing kpt #: 292 total cpu time spent up to now is 129.1 secs Computing kpt #: 293 total cpu time spent up to now is 129.4 secs Computing kpt #: 294 total cpu time spent up to now is 129.8 secs Computing kpt #: 295 total cpu time spent up to now is 130.2 secs Computing kpt #: 296 total cpu time spent up to now is 130.6 secs Computing kpt #: 297 total cpu time spent up to now is 131.0 secs Computing kpt #: 298 total cpu time spent up to now is 131.3 secs Computing kpt #: 299 total cpu time spent up to now is 131.7 secs Computing kpt #: 300 total cpu time spent up to now is 132.1 secs Computing kpt #: 301 total cpu time spent up to now is 132.5 secs Computing kpt #: 302 total cpu time spent up to now is 132.9 secs Computing kpt #: 303 total cpu time spent up to now is 133.3 secs Computing kpt #: 304 total cpu time spent up to now is 133.6 secs Computing kpt #: 305 total cpu time spent up to now is 134.0 secs Computing kpt #: 306 total cpu time spent up to now is 134.4 secs Computing kpt #: 307 total cpu time spent up to now is 134.8 secs Computing kpt #: 308 total cpu time spent up to now is 135.3 secs Computing kpt #: 309 total cpu time spent up to now is 135.7 secs Computing kpt #: 310 total cpu time spent up to now is 136.1 secs Computing kpt #: 311 total cpu time spent up to now is 136.6 secs Computing kpt #: 312 total cpu time spent up to now is 137.0 secs Computing kpt #: 313 total cpu time spent up to now is 137.5 secs Computing kpt #: 314 total cpu time spent up to now is 138.0 secs Computing kpt #: 315 total cpu time spent up to now is 138.6 secs Computing kpt #: 316 total cpu time spent up to now is 139.1 secs Computing kpt #: 317 total cpu time spent up to now is 139.5 secs Computing kpt #: 318 total cpu time spent up to now is 139.9 secs Computing kpt #: 319 total cpu time spent up to now is 140.3 secs Computing kpt #: 320 total cpu time spent up to now is 140.7 secs Computing kpt #: 321 total cpu time spent up to now is 141.1 secs Computing kpt #: 322 total cpu time spent up to now is 141.5 secs Computing kpt #: 323 total cpu time spent up to now is 141.9 secs Computing kpt #: 324 total cpu time spent up to now is 142.4 secs Computing kpt #: 325 total cpu time spent up to now is 142.9 secs Computing kpt #: 326 total cpu time spent up to now is 143.4 secs Computing kpt #: 327 total cpu time spent up to now is 144.0 secs Computing kpt #: 328 total cpu time spent up to now is 144.5 secs Computing kpt #: 329 total cpu time spent up to now is 145.0 secs Computing kpt #: 330 total cpu time spent up to now is 145.5 secs Computing kpt #: 331 total cpu time spent up to now is 145.9 secs Computing kpt #: 332 total cpu time spent up to now is 146.3 secs Computing kpt #: 333 total cpu time spent up to now is 146.8 secs Computing kpt #: 334 total cpu time spent up to now is 147.2 secs Computing kpt #: 335 total cpu time spent up to now is 147.6 secs Computing kpt #: 336 total cpu time spent up to now is 148.0 secs Computing kpt #: 337 total cpu time spent up to now is 148.4 secs Computing kpt #: 338 total cpu time spent up to now is 148.8 secs Computing kpt #: 339 total cpu time spent up to now is 149.2 secs Computing kpt #: 340 total cpu time spent up to now is 149.6 secs Computing kpt #: 341 total cpu time spent up to now is 150.0 secs Computing kpt #: 342 total cpu time spent up to now is 150.4 secs Computing kpt #: 343 total cpu time spent up to now is 150.8 secs Computing kpt #: 344 total cpu time spent up to now is 151.2 secs Computing kpt #: 345 total cpu time spent up to now is 151.7 secs Computing kpt #: 346 total cpu time spent up to now is 152.1 secs Computing kpt #: 347 total cpu time spent up to now is 152.6 secs Computing kpt #: 348 total cpu time spent up to now is 153.1 secs Computing kpt #: 349 total cpu time spent up to now is 153.6 secs Computing kpt #: 350 total cpu time spent up to now is 154.1 secs Computing kpt #: 351 total cpu time spent up to now is 154.7 secs Computing kpt #: 352 total cpu time spent up to now is 155.2 secs Computing kpt #: 353 total cpu time spent up to now is 155.8 secs Computing kpt #: 354 total cpu time spent up to now is 156.3 secs Computing kpt #: 355 total cpu time spent up to now is 156.9 secs Computing kpt #: 356 total cpu time spent up to now is 157.5 secs Computing kpt #: 357 total cpu time spent up to now is 158.0 secs Computing kpt #: 358 total cpu time spent up to now is 158.6 secs Computing kpt #: 359 total cpu time spent up to now is 159.2 secs Computing kpt #: 360 total cpu time spent up to now is 159.7 secs Computing kpt #: 361 total cpu time spent up to now is 160.1 secs Computing kpt #: 362 total cpu time spent up to now is 160.7 secs Computing kpt #: 363 total cpu time spent up to now is 161.3 secs Computing kpt #: 364 total cpu time spent up to now is 161.8 secs Computing kpt #: 365 total cpu time spent up to now is 162.4 secs Computing kpt #: 366 total cpu time spent up to now is 162.9 secs Computing kpt #: 367 total cpu time spent up to now is 163.4 secs Computing kpt #: 368 total cpu time spent up to now is 163.8 secs Computing kpt #: 369 total cpu time spent up to now is 164.2 secs Computing kpt #: 370 total cpu time spent up to now is 164.6 secs Computing kpt #: 371 total cpu time spent up to now is 165.0 secs Computing kpt #: 372 total cpu time spent up to now is 165.3 secs Computing kpt #: 373 total cpu time spent up to now is 165.7 secs Computing kpt #: 374 total cpu time spent up to now is 166.1 secs Computing kpt #: 375 total cpu time spent up to now is 166.5 secs Computing kpt #: 376 total cpu time spent up to now is 166.9 secs Computing kpt #: 377 total cpu time spent up to now is 167.3 secs Computing kpt #: 378 total cpu time spent up to now is 167.7 secs Computing kpt #: 379 total cpu time spent up to now is 168.1 secs Computing kpt #: 380 total cpu time spent up to now is 168.5 secs Computing kpt #: 381 total cpu time spent up to now is 168.9 secs Computing kpt #: 382 total cpu time spent up to now is 169.3 secs Computing kpt #: 383 total cpu time spent up to now is 169.7 secs Computing kpt #: 384 total cpu time spent up to now is 170.1 secs Computing kpt #: 385 total cpu time spent up to now is 170.5 secs Computing kpt #: 386 total cpu time spent up to now is 170.9 secs Computing kpt #: 387 total cpu time spent up to now is 171.4 secs Computing kpt #: 388 total cpu time spent up to now is 171.8 secs Computing kpt #: 389 total cpu time spent up to now is 172.2 secs Computing kpt #: 390 total cpu time spent up to now is 172.6 secs Computing kpt #: 391 total cpu time spent up to now is 173.0 secs Computing kpt #: 392 total cpu time spent up to now is 173.4 secs Computing kpt #: 393 total cpu time spent up to now is 173.8 secs Computing kpt #: 394 total cpu time spent up to now is 174.2 secs Computing kpt #: 395 total cpu time spent up to now is 174.7 secs Computing kpt #: 396 total cpu time spent up to now is 175.2 secs Computing kpt #: 397 total cpu time spent up to now is 175.7 secs Computing kpt #: 398 total cpu time spent up to now is 176.2 secs Computing kpt #: 399 total cpu time spent up to now is 176.7 secs Computing kpt #: 400 total cpu time spent up to now is 177.2 secs Computing kpt #: 401 total cpu time spent up to now is 177.7 secs Computing kpt #: 402 total cpu time spent up to now is 178.2 secs Computing kpt #: 403 total cpu time spent up to now is 178.6 secs Computing kpt #: 404 total cpu time spent up to now is 179.1 secs Computing kpt #: 405 total cpu time spent up to now is 179.5 secs Computing kpt #: 406 total cpu time spent up to now is 180.0 secs Computing kpt #: 407 total cpu time spent up to now is 180.5 secs Computing kpt #: 408 total cpu time spent up to now is 180.9 secs Computing kpt #: 409 total cpu time spent up to now is 181.3 secs Computing kpt #: 410 total cpu time spent up to now is 181.8 secs Computing kpt #: 411 total cpu time spent up to now is 182.3 secs Computing kpt #: 412 total cpu time spent up to now is 182.7 secs Computing kpt #: 413 total cpu time spent up to now is 183.3 secs Computing kpt #: 414 total cpu time spent up to now is 183.8 secs Computing kpt #: 415 total cpu time spent up to now is 184.3 secs Computing kpt #: 416 total cpu time spent up to now is 185.0 secs Computing kpt #: 417 total cpu time spent up to now is 185.5 secs Computing kpt #: 418 total cpu time spent up to now is 186.1 secs Computing kpt #: 419 total cpu time spent up to now is 186.6 secs Computing kpt #: 420 total cpu time spent up to now is 187.1 secs ethr = 2.50E-08, avg # of iterations = 20.0 total cpu time spent up to now is 187.1 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 0.6065 0.6065 1.8975 1.8975 3.8483 3.8483 5.4691 5.4691 6.3975 6.3975 6.9805 6.9805 7.2347 7.2347 7.3532 7.3532 7.5266 7.5266 7.7582 7.7582 7.8245 7.8245 7.9905 7.9905 8.1535 8.1535 8.1907 8.1907 8.6784 8.6784 9.2610 9.2610 9.6075 9.6075 10.2146 10.2146 12.9983 12.9983 13.4484 13.4484 14.3812 14.3812 14.4202 14.4202 k = 0.0109-0.0000-0.0000 ( 3529 PWs) bands (ev): -2.9005 -2.9005 0.4237 0.4237 0.6076 0.6076 1.8983 1.8983 3.8498 3.8498 5.4699 5.4699 6.3983 6.3983 6.9750 6.9750 7.2330 7.2330 7.3590 7.3590 7.5270 7.5270 7.7553 7.7553 7.8280 7.8280 7.9904 7.9904 8.1529 8.1529 8.1904 8.1904 8.6769 8.6769 9.2598 9.2598 9.5966 9.5966 10.2200 10.2200 12.9788 12.9788 13.4549 13.4549 14.2839 14.2839 14.5060 14.5060 k = 0.0217-0.0000-0.0000 ( 3529 PWs) bands (ev): -2.8962 -2.8962 0.4267 0.4267 0.6112 0.6112 1.9008 1.9008 3.8542 3.8542 5.4720 5.4720 6.4006 6.4006 6.9596 6.9596 7.2281 7.2281 7.3753 7.3753 7.5280 7.5280 7.7472 7.7472 7.8375 7.8375 7.9903 7.9903 8.1512 8.1512 8.1896 8.1896 8.6724 8.6724 9.2563 9.2563 9.5654 9.5654 10.2348 10.2348 12.9249 12.9249 13.4689 13.4689 14.1631 14.1631 14.5945 14.5945 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 3.8616 3.8616 5.4757 5.4757 6.4045 6.4045 6.9364 6.9364 7.2200 7.2200 7.3996 7.3996 7.5299 7.5299 7.7348 7.7348 7.8517 7.8517 7.9901 7.9901 8.1484 8.1484 8.1883 8.1883 8.6648 8.6648 9.2503 9.2503 9.5183 9.5183 10.2561 10.2561 12.8451 12.8451 13.4772 13.4772 14.0434 14.0434 14.6683 14.6683 k = 0.0435-0.0000-0.0000 ( 3529 PWs) bands (ev): -2.8789 -2.8789 0.4388 0.4388 0.6253 0.6253 1.9105 1.9105 3.8719 3.8719 5.4807 5.4807 6.4099 6.4099 6.9079 6.9079 7.2094 7.2094 7.4286 7.4286 7.5326 7.5326 7.7188 7.7188 7.8695 7.8695 7.9899 7.9899 8.1444 8.1444 8.1868 8.1868 8.6540 8.6540 9.2418 9.2418 9.4605 9.4605 10.2809 10.2809 12.7468 12.7468 13.4626 13.4626 13.9392 13.9392 14.7277 14.7277 k = 0.0543-0.0000-0.0000 ( 3523 PWs) bands (ev): -2.8659 -2.8659 0.4478 0.4478 0.6358 0.6358 1.9178 1.9178 3.8852 3.8852 5.4870 5.4870 6.4168 6.4168 6.8760 6.8760 7.1964 7.1964 7.4586 7.4586 7.5365 7.5365 7.7003 7.7003 7.8901 7.8901 7.9901 7.9901 8.1392 8.1392 8.1849 8.1849 8.6397 8.6397 9.2306 9.2306 9.3967 9.3967 10.3067 10.3067 12.6348 12.6348 13.4070 13.4070 13.8676 13.8676 14.7743 14.7743 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 3.9014 3.9014 5.4946 5.4946 6.4252 6.4252 6.8419 6.8419 7.1816 7.1816 7.4841 7.4841 7.5416 7.5416 7.6818 7.6818 7.9123 7.9123 7.9912 7.9912 8.1329 8.1329 8.1829 8.1829 8.6218 8.6218 9.2165 9.2165 9.3314 9.3314 10.3321 10.3321 12.5122 12.5122 13.3057 13.3057 13.8336 13.8336 14.7524 14.7524 k = 0.0761-0.0000-0.0000 ( 3525 PWs) bands (ev): -2.8314 -2.8314 0.4714 0.4714 0.6639 0.6639 1.9370 1.9370 3.9204 3.9204 5.5032 5.5032 6.4350 6.4350 6.8066 6.8066 7.1653 7.1653 7.4964 7.4964 7.5464 7.5464 7.6716 7.6716 7.9344 7.9344 7.9946 7.9946 8.1253 8.1253 8.1809 8.1809 8.6003 8.6003 9.1990 9.1990 9.2686 9.2686 10.3565 10.3565 12.3813 12.3813 13.1727 13.1727 13.8244 13.8244 14.5834 14.5834 k = 0.0870-0.0000-0.0000 ( 3527 PWs) bands (ev): -2.8098 -2.8098 0.4859 0.4859 0.6814 0.6814 1.9489 1.9489 3.9424 3.9424 5.5129 5.5129 6.4462 6.4462 6.7706 6.7706 7.1480 7.1480 7.4847 7.4847 7.5489 7.5489 7.6802 7.6802 7.9525 7.9525 8.0036 8.0036 8.1166 8.1166 8.1792 8.1792 8.5759 8.5759 9.1765 9.1765 9.2124 9.2124 10.3794 10.3794 12.2441 12.2441 13.0230 13.0230 13.8261 13.8261 14.4054 14.4054 k = 0.0978-0.0000-0.0000 ( 3527 PWs) bands (ev): -2.7853 -2.7853 0.5022 0.5022 0.7011 0.7011 1.9623 1.9623 3.9672 3.9672 5.5234 5.5234 6.4587 6.4587 6.7343 6.7343 7.1299 7.1299 7.4454 7.4454 7.5523 7.5523 7.7067 7.7067 7.9629 7.9629 8.0214 8.0214 8.1069 8.1069 8.1785 8.1785 8.5492 8.5492 9.1430 9.1430 9.1703 9.1703 10.4009 10.4009 12.1021 12.1021 12.8654 12.8654 13.8311 13.8311 14.2214 14.2214 k = 0.1087-0.0000-0.0000 ( 3527 PWs) bands (ev): -2.7581 -2.7581 0.5200 0.5200 0.7232 0.7232 1.9771 1.9771 3.9948 3.9948 5.5344 5.5344 6.4724 6.4724 6.6978 6.6978 7.1113 7.1113 7.3852 7.3852 7.5573 7.5573 7.7421 7.7421 7.9674 7.9674 8.0454 8.0454 8.0964 8.0964 8.1798 8.1798 8.5218 8.5218 9.1018 9.1018 9.1395 9.1395 10.4211 10.4211 11.9567 11.9567 12.7049 12.7049 13.8352 13.8352 14.0340 14.0340 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 4.0252 4.0252 5.5456 5.5456 6.4873 6.4873 6.6615 6.6615 7.0924 7.0924 7.3104 7.3104 7.5631 7.5631 7.7803 7.7803 7.9696 7.9696 8.0688 8.0688 8.0870 8.0870 8.1844 8.1844 8.4947 8.4947 9.0630 9.0630 9.1095 9.1095 10.4401 10.4401 11.8094 11.8094 12.5443 12.5443 13.8219 13.8219 13.8592 13.8592 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 4.0584 4.0584 5.5565 5.5565 6.5031 6.5031 6.6254 6.6254 7.0733 7.0733 7.2245 7.2245 7.5691 7.5691 7.8178 7.8178 7.9715 7.9715 8.0682 8.0682 8.0986 8.0986 8.1949 8.1949 8.4694 8.4694 9.0281 9.0281 9.0778 9.0778 10.4582 10.4582 11.6612 11.6612 12.3858 12.3858 13.6482 13.6482 13.8407 13.8407 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 4.0942 4.0942 5.5667 5.5667 6.5196 6.5196 6.5899 6.5899 7.0537 7.0537 7.1308 7.1308 7.5751 7.5751 7.8518 7.8518 7.9741 7.9741 8.0550 8.0550 8.1179 8.1179 8.2135 8.2135 8.4464 8.4464 8.9947 8.9947 9.0455 9.0455 10.4755 10.4755 11.5135 11.5135 12.2308 12.2308 13.4575 13.4575 13.8350 13.8350 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 4.1327 4.1327 5.5754 5.5754 6.5336 6.5336 6.5580 6.5580 7.0235 7.0235 7.0425 7.0425 7.5807 7.5807 7.8795 7.8795 7.9784 7.9784 8.0401 8.0401 8.1347 8.1347 8.2402 8.2402 8.4266 8.4266 8.9587 8.9587 9.0155 9.0155 10.4922 10.4922 11.3671 11.3671 12.0805 12.0805 13.2673 13.2673 13.8251 13.8251 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 4.1737 4.1737 5.5816 5.5816 6.5137 6.5137 6.5606 6.5606 6.9276 6.9276 7.0180 7.0180 7.5856 7.5856 7.8992 7.8992 7.9840 7.9840 8.0246 8.0246 8.1513 8.1513 8.2728 8.2728 8.4102 8.4102 8.9162 8.9162 8.9907 8.9907 10.5083 10.5083 11.2232 11.2232 11.9361 11.9361 13.0787 13.0787 13.8098 13.8098 k = 0.1739-0.0000-0.0000 ( 3531 PWs) bands (ev): -2.5351 -2.5351 0.6539 0.6539 0.9014 0.9014 2.0932 2.0932 4.2171 4.2171 5.5838 5.5838 6.4784 6.4784 6.5789 6.5789 6.8277 6.8277 6.9991 6.9991 7.5894 7.5894 7.9110 7.9110 7.9873 7.9873 8.0106 8.0106 8.1699 8.1699 8.3082 8.3082 8.3982 8.3982 8.8667 8.8667 8.9708 8.9708 10.5239 10.5239 11.0829 11.0829 11.7986 11.7986 12.8923 12.8923 13.7884 13.7884 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 4.2628 4.2628 5.5805 5.5805 6.4417 6.4417 6.5985 6.5985 6.7330 6.7330 6.9804 6.9804 7.5913 7.5913 7.9169 7.9169 7.9790 7.9790 8.0056 8.0056 8.1906 8.1906 8.3404 8.3404 8.3950 8.3950 8.8113 8.8113 8.9546 8.9546 10.5386 10.5386 10.9472 10.9472 11.6690 11.6690 12.7090 12.7090 13.7600 13.7600 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 4.3105 4.3105 5.5696 5.5696 6.4040 6.4040 6.6169 6.6169 6.6492 6.6492 6.9619 6.9619 7.5907 7.5907 7.9187 7.9187 7.9622 7.9622 8.0065 8.0065 8.2121 8.2121 8.3541 8.3541 8.4143 8.4143 8.7517 8.7517 8.9409 8.9409 10.5509 10.5509 10.8184 10.8184 11.5483 11.5483 12.5292 12.5292 13.7237 13.7237 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 4.3602 4.3602 5.5490 5.5490 6.3659 6.3659 6.5715 6.5715 6.6420 6.6420 6.9434 6.9434 7.5866 7.5866 7.9146 7.9146 7.9462 7.9462 8.0069 8.0069 8.2325 8.2325 8.3530 8.3530 8.4495 8.4495 8.6911 8.6911 8.9290 8.9290 10.5538 10.5538 10.7039 10.7039 11.4372 11.4372 12.3535 12.3535 13.6786 13.6786 k = 0.2174-0.0000-0.0000 ( 3522 PWs) bands (ev): -2.3311 -2.3311 0.7539 0.7539 1.0612 1.0612 2.1906 2.1906 4.4113 4.4113 5.5169 5.5169 6.3289 6.3289 6.5126 6.5126 6.6626 6.6626 6.9249 6.9249 7.5779 7.5779 7.8998 7.8998 7.9382 7.9382 8.0064 8.0064 8.2498 8.2498 8.3494 8.3494 8.4800 8.4800 8.6385 8.6385 8.9183 8.9183 10.5121 10.5121 10.6394 10.6394 11.3368 11.3368 12.1825 12.1825 13.6242 13.6242 k = 0.2283-0.0000-0.0000 ( 3522 PWs) bands (ev): -2.2734 -2.2734 0.7775 0.7775 1.1059 1.1059 2.2165 2.2165 4.4634 4.4634 5.4730 5.4730 6.2955 6.2955 6.4670 6.4670 6.6837 6.6837 6.9060 6.9060 7.5632 7.5632 7.8765 7.8765 7.9366 7.9366 8.0054 8.0054 8.2625 8.2625 8.3457 8.3457 8.4776 8.4776 8.6204 8.6204 8.9087 8.9087 10.4148 10.4148 10.6359 10.6359 11.2476 11.2476 12.0168 12.0168 13.5603 13.5603 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 4.5157 4.5157 5.4188 5.4188 6.2673 6.2673 6.4335 6.4335 6.7047 6.7047 6.8866 6.8866 7.5408 7.5408 7.8495 7.8495 7.9369 7.9369 8.0048 8.0048 8.2689 8.2689 8.3403 8.3403 8.4365 8.4365 8.6461 8.6461 8.9002 8.9002 10.3063 10.3063 10.6488 10.6488 11.1704 11.1704 11.8570 11.8570 13.4873 13.4873 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 4.5668 4.5668 5.3578 5.3578 6.2443 6.2443 6.4111 6.4111 6.7254 6.7254 6.8665 6.8665 7.5091 7.5091 7.8203 7.8203 7.9372 7.9372 8.0055 8.0055 8.2644 8.2644 8.3270 8.3270 8.3959 8.3959 8.6876 8.6876 8.8929 8.8929 10.1985 10.1985 10.6661 10.6661 11.1055 11.1055 11.7039 11.7039 13.4064 13.4064 k = 0.2609-0.0000-0.0000 ( 3540 PWs) bands (ev): -2.0846 -2.0846 0.8384 0.8384 1.2498 1.2498 2.2956 2.2956 4.6147 4.6147 5.2954 5.2954 6.2246 6.2246 6.3993 6.3993 6.7456 6.7456 6.8454 6.8454 7.4664 7.4664 7.7897 7.7897 7.9366 7.9366 8.0081 8.0081 8.2367 8.2367 8.3098 8.3098 8.3782 8.3782 8.7311 8.7311 8.8877 8.8877 10.0933 10.0933 10.6855 10.6855 11.0533 11.0533 11.5585 11.5585 13.3194 13.3194 k = 0.2717-0.0000-0.0000 ( 3540 PWs) bands (ev): -2.0165 -2.0165 0.8535 0.8535 1.3008 1.3008 2.3218 2.3218 4.6558 4.6558 5.2385 5.2385 6.2060 6.2060 6.3979 6.3979 6.7653 6.7653 6.8231 6.8231 7.4114 7.4114 7.7583 7.7583 7.9342 7.9342 8.0129 8.0129 8.1884 8.1884 8.3022 8.3022 8.3728 8.3728 8.7702 8.7702 8.8867 8.8867 9.9911 9.9911 10.7063 10.7063 11.0140 11.0140 11.4217 11.4217 13.2282 13.2282 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 4.6847 4.6847 5.1956 5.1956 6.1872 6.1872 6.4057 6.4057 6.7839 6.7839 6.7993 6.7993 7.3433 7.3433 7.7267 7.7267 7.9298 7.9298 8.0185 8.0185 8.1387 8.1387 8.2992 8.2992 8.3701 8.3701 8.7982 8.7982 8.8945 8.8945 9.8915 9.8915 10.7284 10.7284 10.9872 10.9872 11.2948 11.2948 13.1346 13.1346 k = 0.2935-0.0000-0.0000 ( 3536 PWs) bands (ev): -1.8731 -1.8731 0.8724 0.8724 1.4067 1.4067 2.3728 2.3728 4.6953 4.6953 5.1753 5.1753 6.1679 6.1679 6.4213 6.4213 6.7731 6.7731 6.8018 6.8018 7.2625 7.2625 7.6954 7.6954 7.9232 7.9232 8.0197 8.0197 8.1003 8.1003 8.2977 8.2977 8.3672 8.3672 8.8102 8.8102 8.9140 8.9140 9.7943 9.7943 10.7513 10.7513 10.9728 10.9728 11.1793 11.1793 13.0402 13.0402 k = 0.3043-0.0000-0.0000 ( 3536 PWs) bands (ev): -1.7977 -1.7977 0.8748 0.8748 1.4614 1.4614 2.3971 2.3971 4.6850 4.6850 5.1823 5.1823 6.1482 6.1482 6.4430 6.4430 6.7452 6.7452 6.8179 6.8179 7.1700 7.1700 7.6652 7.6652 7.9138 7.9138 8.0054 8.0054 8.0859 8.0859 8.2968 8.2968 8.3636 8.3636 8.8103 8.8103 8.9392 8.9392 9.6992 9.6992 10.7746 10.7746 10.9700 10.9700 11.0773 11.0773 12.9460 12.9460 k = 0.3152-0.0000-0.0000 ( 3538 PWs) bands (ev): -1.7200 -1.7200 0.8718 0.8718 1.5170 1.5170 2.4204 2.4204 4.6586 4.6586 5.2136 5.2136 6.1287 6.1287 6.4691 6.4691 6.7149 6.7149 6.8324 6.8324 7.0678 7.0678 7.6368 7.6368 7.9009 7.9009 7.9796 7.9796 8.0925 8.0925 8.2962 8.2962 8.3592 8.3592 8.8047 8.8047 8.9623 8.9623 9.6062 9.6062 10.7971 10.7971 10.9755 10.9755 10.9947 10.9947 12.8530 12.8530 k = 0.3261-0.0000-0.0000 ( 3538 PWs) bands (ev): -1.6401 -1.6401 0.8627 0.8627 1.5734 1.5734 2.4423 2.4423 4.6241 4.6241 5.2625 5.2625 6.1095 6.1095 6.4981 6.4981 6.6827 6.6827 6.8444 6.8444 6.9584 6.9584 7.6110 7.6110 7.8828 7.8828 7.9551 7.9551 8.1076 8.1076 8.2962 8.2962 8.3542 8.3542 8.7962 8.7962 8.9788 8.9788 9.5150 9.5150 10.8141 10.8141 10.9267 10.9267 10.9996 10.9996 12.7615 12.7615 k = 0.3370-0.0000-0.0000 ( 3538 PWs) bands (ev): -1.5580 -1.5580 0.8469 0.8469 1.6305 1.6305 2.4625 2.4625 4.5887 4.5887 5.3228 5.3228 6.0911 6.0911 6.5276 6.5276 6.6500 6.6500 6.8314 6.8314 6.8660 6.8660 7.5886 7.5886 7.8589 7.8589 7.9360 7.9360 8.1261 8.1261 8.2965 8.2965 8.3490 8.3490 8.7860 8.7860 8.9859 8.9859 9.4259 9.4259 10.8112 10.8112 10.9023 10.9023 11.0283 11.0283 12.6718 12.6718 k = 0.3478-0.0000-0.0000 ( 3538 PWs) bands (ev): -1.4738 -1.4738 0.8242 0.8242 1.6879 1.6879 2.4808 2.4808 4.5571 4.5571 5.3905 5.3905 6.0735 6.0735 6.5495 6.5495 6.6239 6.6239 6.7181 6.7181 6.8679 6.8679 7.5701 7.5701 7.8306 7.8306 7.9213 7.9213 8.1466 8.1466 8.2974 8.2974 8.3440 8.3440 8.7743 8.7743 8.9824 8.9824 9.3389 9.3389 10.7904 10.7904 10.9153 10.9153 11.0661 11.0661 12.5841 12.5841 k = 0.3587-0.0000-0.0000 ( 3540 PWs) bands (ev): -1.3876 -1.3876 0.7941 0.7941 1.7456 1.7456 2.4969 2.4969 4.5324 4.5324 5.4628 5.4628 6.0571 6.0571 6.5405 6.5405 6.5910 6.5910 6.6329 6.6329 6.8738 6.8738 7.5557 7.5557 7.7994 7.7994 7.9090 7.9090 8.1681 8.1681 8.2987 8.2987 8.3395 8.3395 8.7614 8.7614 8.9679 8.9679 9.2544 9.2544 10.7761 10.7761 10.9421 10.9421 11.1118 11.1118 12.4984 12.4984 k = 0.3696-0.0000-0.0000 ( 3538 PWs) bands (ev): -1.2995 -1.2995 0.7565 0.7565 1.8033 1.8033 2.5105 2.5105 4.5164 4.5164 5.5382 5.5382 6.0420 6.0420 6.4680 6.4680 6.5068 6.5068 6.6598 6.6598 6.8779 6.8779 7.5458 7.5458 7.7662 7.7662 7.8977 7.8977 8.1902 8.1902 8.3005 8.3005 8.3361 8.3361 8.7472 8.7472 8.9430 8.9430 9.1727 9.1727 10.7766 10.7766 10.9741 10.9741 11.1646 11.1646 12.4144 12.4144 k = 0.3804-0.0000-0.0000 ( 3538 PWs) bands (ev): -1.2096 -1.2096 0.7116 0.7116 1.8608 1.8608 2.5213 2.5213 4.5100 4.5100 5.6151 5.6151 6.0282 6.0282 6.3432 6.3432 6.4660 6.4660 6.6945 6.6945 6.8800 6.8800 7.5402 7.5402 7.7311 7.7311 7.8867 7.8867 8.2125 8.2125 8.3030 8.3030 8.3340 8.3340 8.7317 8.7317 8.9094 8.9094 9.0940 9.0940 10.7928 10.7928 11.0094 11.0094 11.2235 11.2235 12.3323 12.3323 k = 0.3913-0.0000-0.0000 ( 3526 PWs) bands (ev): -1.1180 -1.1180 0.6594 0.6594 1.9178 1.9178 2.5290 2.5290 4.5138 4.5138 5.6917 5.6917 6.0159 6.0159 6.2196 6.2196 6.4239 6.4239 6.7297 6.7297 6.8808 6.8808 7.5386 7.5386 7.6943 7.6943 7.8755 7.8755 8.2342 8.2342 8.3063 8.3063 8.3340 8.3340 8.7145 8.7145 8.8695 8.8695 9.0187 9.0187 10.8238 10.8238 11.0472 11.0472 11.2875 11.2875 12.2519 12.2519 k = 0.4022-0.0000-0.0000 ( 3538 PWs) bands (ev): -1.0248 -1.0248 0.6002 0.6002 1.9740 1.9740 2.5334 2.5334 4.5280 4.5280 5.7648 5.7648 6.0042 6.0042 6.1014 6.1014 6.3826 6.3826 6.7611 6.7611 6.8829 6.8829 7.5402 7.5402 7.6562 7.6562 7.8636 7.8636 8.2546 8.2546 8.3104 8.3104 8.3366 8.3366 8.6949 8.6949 8.8264 8.8264 8.9471 8.9471 10.8677 10.8677 11.0875 11.0875 11.3557 11.3557 12.1730 12.1730 k = 0.4130-0.0000-0.0000 ( 3534 PWs) bands (ev): -0.9303 -0.9303 0.5346 0.5346 2.0291 2.0291 2.5341 2.5341 4.5524 4.5524 5.8214 5.8214 5.9770 5.9770 6.0169 6.0169 6.3441 6.3441 6.7821 6.7821 6.8920 6.8920 7.5429 7.5429 7.6187 7.6187 7.8510 7.8510 8.2729 8.2729 8.3158 8.3158 8.3424 8.3424 8.6722 8.6722 8.7834 8.7834 8.8793 8.8793 10.9228 10.9228 11.1302 11.1302 11.4269 11.4269 12.0958 12.0958 k = 0.4239-0.0000-0.0000 ( 3536 PWs) bands (ev): -0.8346 -0.8346 0.4631 0.4631 2.0829 2.0829 2.5311 2.5311 4.5868 4.5868 5.7970 5.7970 5.9575 5.9575 6.0061 6.0061 6.3110 6.3110 6.7862 6.7862 6.9142 6.9142 7.5366 7.5366 7.5915 7.5915 7.8372 7.8372 8.2880 8.2880 8.3231 8.3231 8.3518 8.3518 8.6453 8.6453 8.7439 8.7439 8.8159 8.8159 10.9871 10.9871 11.1753 11.1753 11.4992 11.4992 12.0201 12.0201 k = 0.4348-0.0000-0.0000 ( 3532 PWs) bands (ev): -0.7379 -0.7379 0.3863 0.3863 2.1351 2.1351 2.5241 2.5241 4.6308 4.6308 5.6970 5.6970 5.9786 5.9786 6.0262 6.0262 6.2881 6.2881 6.7746 6.7746 6.9475 6.9475 7.5056 7.5056 7.5901 7.5901 7.8225 7.8225 8.3003 8.3003 8.3324 8.3324 8.3642 8.3642 8.6139 8.6139 8.7100 8.7100 8.7577 8.7577 11.0589 11.0589 11.2230 11.2230 11.5700 11.5700 11.9461 11.9461 k = 0.4457-0.0000-0.0000 ( 3532 PWs) bands (ev): -0.6404 -0.6404 0.3048 0.3048 2.1852 2.1852 2.5129 2.5129 4.6838 4.6838 5.5855 5.5855 5.9841 5.9841 6.0610 6.0610 6.2845 6.2845 6.7522 6.7522 6.9869 6.9869 7.4619 7.4619 7.6025 7.6025 7.8063 7.8063 8.3112 8.3112 8.3434 8.3434 8.3778 8.3778 8.5794 8.5794 8.6815 8.6815 8.7058 8.7058 11.1365 11.1365 11.2733 11.2733 11.6347 11.6347 11.8737 11.8737 k = 0.4565-0.0000-0.0000 ( 3528 PWs) bands (ev): -0.5424 -0.5424 0.2192 0.2192 2.2330 2.2330 2.4976 2.4976 4.7453 4.7453 5.4741 5.4741 5.9877 5.9877 6.0767 6.0767 6.3091 6.3091 6.7216 6.7216 7.0294 7.0294 7.4141 7.4141 7.6199 7.6199 7.7888 7.7888 8.3224 8.3224 8.3561 8.3561 8.3903 8.3903 8.5447 8.5447 8.6548 8.6548 8.6639 8.6639 11.2181 11.2181 11.3267 11.3267 11.6852 11.6852 11.8032 11.8032 k = 0.4674-0.0000-0.0000 ( 3526 PWs) bands (ev): -0.4442 -0.4442 0.1303 0.1303 2.2782 2.2782 2.4781 2.4781 4.8147 4.8147 5.3655 5.3655 5.9933 5.9933 6.0722 6.0722 6.3567 6.3567 6.6838 6.6838 7.0740 7.0740 7.3647 7.3647 7.6398 7.6398 7.7699 7.7699 8.3348 8.3348 8.3708 8.3708 8.3987 8.3987 8.5118 8.5118 8.6238 8.6238 8.6389 8.6389 11.3013 11.3013 11.3838 11.3838 11.7078 11.7078 11.7362 11.7362 k = 0.4783-0.0000-0.0000 ( 3524 PWs) bands (ev): -0.3460 -0.3460 0.0385 0.0385 2.3204 2.3204 2.4544 2.4544 4.8915 4.8915 5.2605 5.2605 6.0015 6.0015 6.0582 6.0582 6.4149 6.4149 6.6396 6.6396 7.1200 7.1200 7.3148 7.3148 7.6613 7.6613 7.7496 7.7496 8.3487 8.3487 8.3865 8.3865 8.4012 8.4012 8.4819 8.4819 8.6015 8.6015 8.6201 8.6201 11.3827 11.3827 11.4460 11.4460 11.6638 11.6638 11.7014 11.7014 k = 0.4891-0.0000-0.0000 ( 3526 PWs) bands (ev): -0.2482 -0.2482 -0.0555 -0.0555 2.3594 2.3594 2.4266 2.4266 4.9750 4.9750 5.1601 5.1601 6.0125 6.0125 6.0418 6.0418 6.4754 6.4754 6.5895 6.5895 7.1672 7.1672 7.2649 7.2649 7.6836 7.6836 7.7282 7.7282 8.3637 8.3637 8.3904 8.3904 8.4101 8.4101 8.4550 8.4550 8.5922 8.5922 8.6048 8.6048 11.4582 11.4582 11.5136 11.5136 11.5994 11.5994 11.6561 11.6561 k = 0.5000-0.0000-0.0000 ( 3526 PWs) bands (ev): -0.1512 -0.1512 -0.1512 -0.1512 2.3949 2.3949 2.3949 2.3949 5.0647 5.0647 5.0647 5.0647 6.0261 6.0261 6.0261 6.0261 6.5344 6.5344 6.5344 6.5344 7.2156 7.2156 7.2156 7.2156 7.7061 7.7061 7.7061 7.7061 8.3787 8.3787 8.3787 8.3787 8.4309 8.4309 8.4309 8.4309 8.5945 8.5945 8.5945 8.5945 11.5255 11.5255 11.5255 11.5255 11.5931 11.5931 11.5931 11.5931 k = 0.5000-0.0000-0.0000 ( 3526 PWs) bands (ev): -0.1512 -0.1512 -0.1512 -0.1512 2.3949 2.3949 2.3949 2.3949 5.0647 5.0647 5.0647 5.0647 6.0261 6.0261 6.0261 6.0261 6.5344 6.5344 6.5344 6.5344 7.2156 7.2156 7.2156 7.2156 7.7061 7.7061 7.7061 7.7061 8.3787 8.3787 8.3787 8.3787 8.4309 8.4309 8.4309 8.4309 8.5945 8.5945 8.5945 8.5945 11.5255 11.5255 11.5255 11.5255 11.5931 11.5931 11.5931 11.5931 k = 0.5000 0.0108-0.0000 ( 3522 PWs) bands (ev): -0.1502 -0.1502 -0.1501 -0.1501 2.3935 2.3935 2.3936 2.3936 5.0637 5.0637 5.0680 5.0680 6.0131 6.0131 6.0187 6.0187 6.5356 6.5356 6.5475 6.5475 7.2138 7.2138 7.2144 7.2144 7.7054 7.7054 7.7123 7.7123 8.3657 8.3657 8.3861 8.3861 8.4298 8.4298 8.4338 8.4338 8.5858 8.5858 8.6086 8.6086 11.4982 11.4982 11.5013 11.5013 11.5829 11.5829 11.6186 11.6186 k = 0.5000 0.0217-0.0000 ( 3522 PWs) bands (ev): -0.1469 -0.1469 -0.1466 -0.1466 2.3894 2.3894 2.3897 2.3897 5.0649 5.0649 5.0734 5.0734 5.9825 5.9825 5.9921 5.9921 6.5503 6.5503 6.5724 6.5724 7.2088 7.2088 7.2102 7.2102 7.7102 7.7102 7.7236 7.7236 8.3490 8.3490 8.3867 8.3867 8.4295 8.4295 8.4380 8.4380 8.5838 8.5838 8.6267 8.6267 11.4379 11.4379 11.4466 11.4466 11.5811 11.5811 11.6325 11.6325 k = 0.5000 0.0325-0.0000 ( 3526 PWs) bands (ev): -0.1413 -0.1413 -0.1410 -0.1410 2.3827 2.3827 2.3830 2.3830 5.0682 5.0682 5.0811 5.0811 5.9390 5.9390 5.9504 5.9504 6.5746 6.5746 6.6042 6.6042 7.2009 7.2009 7.2034 7.2034 7.7201 7.7201 7.7393 7.7393 8.3299 8.3299 8.3813 8.3813 8.4295 8.4295 8.4419 8.4419 8.5895 8.5895 8.6480 8.6480 11.3607 11.3607 11.3816 11.3816 11.5707 11.5707 11.6306 11.6306 k = 0.5000 0.0433-0.0000 ( 3530 PWs) bands (ev): -0.1335 -0.1335 -0.1331 -0.1331 2.3732 2.3732 2.3737 2.3737 5.0737 5.0737 5.0909 5.0909 5.8871 5.8871 5.8987 5.8987 6.6038 6.6038 6.6387 6.6387 7.1905 7.1905 7.1943 7.1943 7.7344 7.7344 7.7584 7.7584 8.3089 8.3089 8.3709 8.3709 8.4293 8.4293 8.4441 8.4441 8.6029 8.6029 8.6719 8.6719 11.2776 11.2776 11.3083 11.3083 11.5522 11.5522 11.6167 11.6167 k = 0.5000 0.0542-0.0000 ( 3528 PWs) bands (ev): -0.1235 -0.1235 -0.1230 -0.1230 2.3609 2.3609 2.3616 2.3616 5.0812 5.0812 5.1028 5.1028 5.8303 5.8303 5.8409 5.8409 6.6347 6.6347 6.6730 6.6730 7.1782 7.1782 7.1835 7.1835 7.7519 7.7519 7.7799 7.7799 8.2864 8.2864 8.3566 8.3566 8.4291 8.4291 8.4448 8.4448 8.6228 8.6228 8.6978 8.6978 11.1923 11.1923 11.2308 11.2308 11.5291 11.5291 11.5956 11.5956 k = 0.5000 0.0650-0.0000 ( 3534 PWs) bands (ev): -0.1114 -0.1114 -0.1107 -0.1107 2.3459 2.3459 2.3466 2.3466 5.0907 5.0907 5.1168 5.1168 5.7710 5.7710 5.7801 5.7801 6.6647 6.6647 6.7048 6.7048 7.1643 7.1643 7.1713 7.1713 7.7717 7.7717 7.8026 7.8026 8.2623 8.2623 8.3390 8.3390 8.4287 8.4287 8.4444 8.4444 8.6472 8.6472 8.7250 8.7250 11.1073 11.1073 11.1516 11.1516 11.5053 11.5053 11.5723 11.5723 k = 0.5000 0.0758-0.0000 ( 3536 PWs) bands (ev): -0.0970 -0.0970 -0.0963 -0.0963 2.3280 2.3280 2.3289 2.3289 5.1021 5.1021 5.1328 5.1328 5.7111 5.7111 5.7183 5.7183 6.6925 6.6925 6.7329 6.7329 7.1497 7.1497 7.1581 7.1581 7.7927 7.7927 7.8256 7.8256 8.2367 8.2367 8.3185 8.3185 8.4282 8.4282 8.4435 8.4435 8.6745 8.6745 8.7525 8.7525 11.0240 11.0240 11.0728 11.0728 11.4846 11.4846 11.5507 11.5507 k = 0.5000 0.0866-0.0000 ( 3532 PWs) bands (ev): -0.0806 -0.0806 -0.0797 -0.0797 2.3072 2.3072 2.3083 2.3083 5.1152 5.1152 5.1505 5.1505 5.6521 5.6521 5.6572 5.6572 6.7171 6.7171 6.7564 6.7564 7.1348 7.1348 7.1443 7.1443 7.8139 7.8139 7.8479 7.8479 8.2095 8.2095 8.2956 8.2956 8.4275 8.4275 8.4424 8.4424 8.7031 8.7031 8.7796 8.7796 10.9433 10.9433 10.9956 10.9956 11.4703 11.4703 11.5344 11.5344 k = 0.5000 0.0975-0.0000 ( 3540 PWs) bands (ev): -0.0620 -0.0620 -0.0610 -0.0610 2.2835 2.2835 2.2848 2.2848 5.1299 5.1299 5.1698 5.1698 5.5952 5.5952 5.5981 5.5981 6.7379 6.7379 6.7746 6.7746 7.1203 7.1203 7.1302 7.1302 7.8344 7.8344 7.8687 7.8687 8.1806 8.1806 8.2705 8.2705 8.4267 8.4267 8.4411 8.4411 8.7314 8.7314 8.8048 8.8048 10.8659 10.8659 10.9209 10.9209 11.4653 11.4653 11.5264 11.5264 k = 0.5000 0.1083-0.0000 ( 3538 PWs) bands (ev): -0.0414 -0.0414 -0.0403 -0.0403 2.2570 2.2570 2.2584 2.2584 5.1458 5.1458 5.1903 5.1903 5.5412 5.5412 5.5422 5.5422 6.7546 6.7546 6.7870 6.7870 7.1072 7.1072 7.1163 7.1163 7.8538 7.8538 7.8875 7.8875 8.1504 8.1504 8.2435 8.2435 8.4258 8.4258 8.4398 8.4398 8.7579 8.7579 8.8272 8.8272 10.7922 10.7922 10.8494 10.8494 11.4721 11.4721 11.5291 11.5291 k = 0.5000 0.1191-0.0000 ( 3538 PWs) bands (ev): -0.0188 -0.0188 -0.0176 -0.0176 2.2276 2.2276 2.2292 2.2292 5.1625 5.1625 5.2113 5.2113 5.4908 5.4908 5.4913 5.4913 6.7669 6.7669 6.7933 6.7933 7.0960 7.0960 7.1030 7.1030 7.8715 7.8715 7.9035 7.9035 8.1190 8.1190 8.2148 8.2148 8.4248 8.4248 8.4384 8.4384 8.7813 8.7813 8.8456 8.8456 10.7227 10.7227 10.7815 10.7815 11.4926 11.4926 11.5447 11.5447 k = 0.5000 0.1300-0.0000 ( 3546 PWs) bands (ev): 0.0057 0.0057 0.0070 0.0070 2.1953 2.1953 2.1972 2.1972 5.1791 5.1791 5.2314 5.2314 5.4456 5.4456 5.4465 5.4465 6.7745 6.7745 6.7932 6.7932 7.0875 7.0875 7.0909 7.0909 7.8872 7.8872 7.9158 7.9158 8.0871 8.0871 8.1844 8.1844 8.4236 8.4236 8.4369 8.4369 8.8004 8.8004 8.8591 8.8591 10.6573 10.6573 10.7176 10.7176 11.5283 11.5283 11.5747 11.5747 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 5.1944 5.1944 5.2472 5.2472 5.4084 5.4084 5.4101 5.4101 6.7774 6.7774 6.7867 6.7867 7.0803 7.0803 7.0819 7.0819 7.9006 7.9006 7.9228 7.9228 8.0565 8.0565 8.1528 8.1528 8.4224 8.4224 8.4353 8.4353 8.8145 8.8145 8.8672 8.8672 10.5964 10.5964 10.6578 10.6578 11.5798 11.5798 11.6200 11.6200 k = 0.5000 0.1516-0.0000 ( 3558 PWs) bands (ev): 0.0601 0.0601 0.0618 0.0618 2.1229 2.1229 2.1252 2.1252 5.2058 5.2058 5.2527 5.2527 5.3795 5.3795 5.3905 5.3905 6.7744 6.7744 6.7754 6.7754 7.0718 7.0718 7.0794 7.0794 7.9116 7.9116 7.9210 7.9210 8.0308 8.0308 8.1204 8.1204 8.4211 8.4211 8.4336 8.4336 8.8232 8.8232 8.8700 8.8700 10.5400 10.5400 10.6023 10.6023 11.6475 11.6475 11.6811 11.6811 k = 0.5000 0.1625-0.0000 ( 3566 PWs) bands (ev): 0.0899 0.0899 0.0917 0.0917 2.0829 2.0829 2.0855 2.0855 5.2098 5.2098 5.2430 5.2430 5.3635 5.3635 5.3918 5.3918 6.7570 6.7570 6.7688 6.7688 7.0655 7.0655 7.0795 7.0795 7.9059 7.9059 7.9194 7.9194 8.0146 8.0146 8.0879 8.0879 8.4196 8.4196 8.4318 8.4318 8.8266 8.8266 8.8675 8.8675 10.4879 10.4879 10.5510 10.5510 11.7310 11.7310 11.7578 11.7578 k = 0.5000 0.1733-0.0000 ( 3566 PWs) bands (ev): 0.1212 0.1212 0.1231 0.1231 2.0409 2.0409 2.0437 2.0437 5.2043 5.2043 5.2227 5.2227 5.3622 5.3622 5.4090 5.4090 6.7354 6.7354 6.7580 6.7580 7.0615 7.0615 7.0820 7.0820 7.8771 7.8771 7.9229 7.9229 8.0086 8.0086 8.0566 8.0566 8.4182 8.4182 8.4300 8.4300 8.8250 8.8250 8.8605 8.8605 10.4403 10.4403 10.5040 10.5040 11.8296 11.8296 11.8496 11.8496 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 5.1915 5.1915 5.1993 5.1993 5.3730 5.3730 5.4346 5.4346 6.7107 6.7107 6.7435 6.7435 7.0597 7.0597 7.0862 7.0862 7.8394 7.8394 7.9194 7.9194 8.0082 8.0082 8.0296 8.0296 8.4166 8.4166 8.4281 8.4281 8.8192 8.8192 8.8499 8.8499 10.3968 10.3968 10.4611 10.4611 11.9422 11.9422 11.9557 11.9557 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 5.1758 5.1758 5.1765 5.1765 5.3914 5.3914 5.4642 5.4642 6.6838 6.6838 6.7260 6.7260 7.0599 7.0599 7.0918 7.0918 7.7967 7.7967 7.9053 7.9053 8.0099 8.0099 8.0108 8.0108 8.4150 8.4150 8.4260 8.4260 8.8100 8.8100 8.8364 8.8364 10.3575 10.3575 10.4222 10.4222 12.0677 12.0677 12.0748 12.0748 k = 0.5000 0.2058-0.0000 ( 3558 PWs) bands (ev): 0.2226 0.2226 0.2251 0.2251 1.9047 1.9047 1.9083 1.9083 5.1559 5.1559 5.1602 5.1602 5.4139 5.4139 5.4960 5.4960 6.6553 6.6553 6.7064 6.7064 7.0617 7.0617 7.0985 7.0985 7.7511 7.7511 7.8796 7.8796 8.0015 8.0015 8.0122 8.0122 8.4133 8.4133 8.4239 8.4239 8.7984 8.7984 8.8213 8.8213 10.3221 10.3221 10.3871 10.3871 12.2047 12.2047 12.2058 12.2058 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 5.1379 5.1379 5.1460 5.1460 5.4384 5.4384 5.5288 5.5288 6.6261 6.6261 6.6854 6.6854 7.0649 7.0649 7.1062 7.1062 7.7037 7.7037 7.8461 7.8461 7.9983 7.9983 8.0144 8.0144 8.4115 8.4115 8.4216 8.4216 8.7852 8.7852 8.8052 8.8052 10.2903 10.2903 10.3557 10.3557 12.3473 12.3473 12.3519 12.3519 k = 0.5000 0.2274-0.0000 ( 3562 PWs) bands (ev): 0.2941 0.2941 0.2971 0.2971 1.8096 1.8096 1.8137 1.8137 5.1228 5.1228 5.1339 5.1339 5.4639 5.4639 5.5618 5.5618 6.5967 6.5967 6.6637 6.6637 7.0695 7.0695 7.1147 7.1147 7.6551 7.6551 7.8085 7.8085 7.9980 7.9980 8.0162 8.0162 8.4097 8.4097 8.4193 8.4193 8.7714 8.7714 8.7889 8.7889 10.2622 10.2622 10.3277 10.3277 12.4979 12.4979 12.5081 12.5081 k = 0.5000 0.2383-0.0000 ( 3560 PWs) bands (ev): 0.3301 0.3301 0.3334 0.3334 1.7623 1.7623 1.7667 1.7667 5.1104 5.1104 5.1240 5.1240 5.4894 5.4894 5.5944 5.5944 6.5679 6.5679 6.6421 6.6421 7.0754 7.0754 7.1240 7.1240 7.6061 7.6061 7.7690 7.7690 7.9990 7.9990 8.0176 8.0176 8.4079 8.4079 8.4169 8.4169 8.7576 8.7576 8.7731 8.7731 10.2373 10.2373 10.3030 10.3030 12.6562 12.6562 12.6720 12.6720 k = 0.5000 0.2491-0.0000 ( 3564 PWs) bands (ev): 0.3657 0.3657 0.3693 0.3693 1.7159 1.7159 1.7207 1.7207 5.1004 5.1004 5.1162 5.1162 5.5143 5.5143 5.6260 5.6260 6.5400 6.5400 6.6211 6.6211 7.0825 7.0825 7.1340 7.1340 7.5573 7.5573 7.7291 7.7291 8.0002 8.0002 8.0185 8.0185 8.4061 8.4061 8.4146 8.4146 8.7443 8.7443 8.7583 8.7583 10.2156 10.2156 10.2814 10.2814 12.8210 12.8210 12.8423 12.8423 k = 0.5000 0.2599-0.0000 ( 3560 PWs) bands (ev): 0.4003 0.4003 0.4042 0.4042 1.6713 1.6713 1.6765 1.6765 5.0926 5.0926 5.1103 5.1103 5.5380 5.5380 5.6560 5.6560 6.5138 6.5138 6.6013 6.6013 7.0910 7.0910 7.1447 7.1447 7.5093 7.5093 7.6899 7.6899 8.0015 8.0015 8.0192 8.0192 8.4045 8.4045 8.4124 8.4124 8.7320 8.7320 8.7448 8.7448 10.1968 10.1968 10.2627 10.2627 12.9908 12.9908 13.0178 13.0178 k = 0.5000 0.2708-0.0000 ( 3562 PWs) bands (ev): 0.4332 0.4332 0.4374 0.4374 1.6293 1.6293 1.6348 1.6348 5.0866 5.0866 5.1060 5.1060 5.5599 5.5599 5.6837 5.6837 6.4898 6.4898 6.5831 6.5831 7.1010 7.1010 7.1559 7.1559 7.4627 7.4627 7.6521 7.6521 8.0028 8.0028 8.0196 8.0196 8.4030 8.4030 8.4103 8.4103 8.7210 8.7210 8.7329 8.7329 10.1808 10.1808 10.2468 10.2468 13.1641 13.1641 13.1974 13.1974 k = 0.5000 0.2816-0.0000 ( 3558 PWs) bands (ev): 0.4637 0.4637 0.4682 0.4682 1.5909 1.5909 1.5967 1.5967 5.0823 5.0823 5.1030 5.1030 5.5797 5.5797 5.7086 5.7086 6.4683 6.4683 6.5671 6.5671 7.1126 7.1126 7.1673 7.1673 7.4183 7.4183 7.6169 7.6169 8.0038 8.0038 8.0199 8.0199 8.4016 8.4016 8.4084 8.4084 8.7115 8.7115 8.7227 8.7227 10.1676 10.1676 10.2336 10.2336 13.3390 13.3390 13.3796 13.3796 k = 0.5000 0.2924-0.0000 ( 3554 PWs) bands (ev): 0.4907 0.4907 0.4955 0.4955 1.5571 1.5571 1.5632 1.5632 5.0792 5.0792 5.1011 5.1011 5.5966 5.5966 5.7300 5.7300 6.4500 6.4500 6.5536 6.5536 7.1258 7.1258 7.1785 7.1785 7.3768 7.3768 7.5853 7.5853 8.0047 8.0047 8.0199 8.0199 8.4004 8.4004 8.4067 8.4067 8.7037 8.7037 8.7143 8.7143 10.1569 10.1569 10.2229 10.2229 13.5133 13.5133 13.5631 13.5631 k = 0.5000 0.3033-0.0000 ( 3552 PWs) bands (ev): 0.5132 0.5132 0.5183 0.5183 1.5291 1.5291 1.5355 1.5355 5.0771 5.0771 5.1000 5.1000 5.6103 5.6103 5.7473 5.7473 6.4353 6.4353 6.5428 6.5428 7.1405 7.1405 7.1889 7.1889 7.3391 7.3391 7.5584 7.5584 8.0053 8.0053 8.0199 8.0199 8.3994 8.3994 8.4054 8.4054 8.6976 8.6976 8.7077 8.7077 10.1487 10.1487 10.2148 10.2148 13.6834 13.6834 13.7460 13.7460 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 5.0758 5.0758 5.0993 5.0993 5.6205 5.6205 5.7601 5.7601 6.4244 6.4244 6.5349 6.5349 7.1559 7.1559 7.1975 7.1975 7.3066 7.3066 7.5376 7.5376 8.0058 8.0058 8.0199 8.0199 8.3987 8.3987 8.4044 8.4044 8.6932 8.6932 8.7030 8.7030 10.1429 10.1429 10.2089 10.2089 13.8425 13.8425 13.9255 13.9255 k = 0.5000 0.3249-0.0000 ( 3568 PWs) bands (ev): 0.5410 0.5410 0.5465 0.5465 1.4949 1.4949 1.5018 1.5018 5.0750 5.0750 5.0990 5.0990 5.6267 5.6267 5.7679 5.7679 6.4178 6.4178 6.5301 6.5301 7.1696 7.1696 7.2033 7.2033 7.2825 7.2825 7.5244 7.5244 8.0060 8.0060 8.0198 8.0198 8.3982 8.3982 8.4036 8.4036 8.6905 8.6905 8.7002 8.7002 10.1395 10.1395 10.2055 10.2055 13.9739 13.9739 14.0953 14.0953 k = 0.5000 0.3357-0.0000 ( 3564 PWs) bands (ev): 0.5446 0.5446 0.5502 0.5502 1.4905 1.4905 1.4974 1.4974 5.0748 5.0748 5.0989 5.0989 5.6288 5.6288 5.7705 5.7705 6.4156 6.4156 6.5286 6.5286 7.1758 7.1758 7.2054 7.2054 7.2728 7.2728 7.5198 7.5198 8.0061 8.0061 8.0198 8.0198 8.3980 8.3980 8.4034 8.4034 8.6896 8.6896 8.6993 8.6993 10.1383 10.1383 10.2043 10.2043 14.0323 14.0323 14.2038 14.2038 k = 0.5000 0.3357-0.0000 ( 3564 PWs) bands (ev): 0.5446 0.5446 0.5502 0.5502 1.4905 1.4905 1.4974 1.4974 5.0748 5.0748 5.0989 5.0989 5.6288 5.6288 5.7705 5.7705 6.4156 6.4156 6.5286 6.5286 7.1758 7.1758 7.2054 7.2054 7.2728 7.2728 7.5198 7.5198 8.0061 8.0061 8.0198 8.0198 8.3980 8.3980 8.4034 8.4034 8.6896 8.6896 8.6993 8.6993 10.1383 10.1383 10.2043 10.2043 14.0323 14.0323 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 1.5005 1.5005 5.0734 5.0734 5.0994 5.0994 5.6347 5.6347 5.7747 5.7747 6.4099 6.4099 6.5249 6.5249 7.1700 7.1700 7.1876 7.1876 7.2956 7.2956 7.5278 7.5278 8.0065 8.0065 8.0202 8.0202 8.3996 8.3996 8.4053 8.4053 8.6920 8.6920 8.7032 8.7032 10.1400 10.1400 10.2061 10.2061 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 5.0697 5.0697 5.1011 5.1011 5.6520 5.6520 5.7870 5.7870 6.3933 6.3933 6.5142 6.5142 7.1549 7.1549 7.1595 7.1595 7.3384 7.3384 7.5495 7.5495 8.0077 8.0077 8.0213 8.0213 8.4037 8.4037 8.4107 8.4107 8.6997 8.6997 8.7151 8.7151 10.1451 10.1451 10.2114 10.2114 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 5.0646 5.0646 5.1044 5.1044 5.6793 5.6793 5.8064 5.8064 6.3671 6.3671 6.4966 6.4966 7.1355 7.1355 7.1357 7.1357 7.3859 7.3859 7.5795 7.5795 8.0095 8.0095 8.0230 8.0230 8.4104 8.4104 8.4194 8.4194 8.7130 8.7130 8.7357 8.7357 10.1537 10.1537 10.2204 10.2204 13.9215 13.9215 14.0710 14.0710 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 5.0592 5.0592 5.1099 5.1099 5.7152 5.7152 5.8314 5.8314 6.3336 6.3336 6.4730 6.4730 7.1170 7.1170 7.1180 7.1180 7.4339 7.4339 7.6130 7.6130 8.0117 8.0117 8.0252 8.0252 8.4188 8.4188 8.4309 8.4309 8.7328 8.7328 8.7657 8.7657 10.1657 10.1657 10.2329 10.2329 13.8578 13.8578 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 1.5585 1.5585 5.0547 5.0547 5.1181 5.1181 5.7577 5.7577 5.8599 5.8599 6.2961 6.2961 6.4444 6.4444 7.1018 7.1018 7.1072 7.1072 7.4805 7.4805 7.6463 7.6463 8.0143 8.0143 8.0276 8.0276 8.4285 8.4285 8.4446 8.4446 8.7602 8.7602 8.8060 8.8060 10.1813 10.1813 10.2492 10.2492 13.7896 13.7896 13.9269 13.9269 k = 0.4348 0.3357-0.0000 ( 3558 PWs) bands (ev): 0.3448 0.3448 0.3497 0.3497 1.5703 1.5703 1.5767 1.5767 5.0516 5.0516 5.1294 5.1294 5.8052 5.8052 5.8886 5.8886 6.2590 6.2590 6.4129 6.4129 7.0914 7.0914 7.1026 7.1026 7.5243 7.5243 7.6773 7.6773 8.0168 8.0168 8.0300 8.0300 8.4386 8.4386 8.4594 8.4594 8.7962 8.7962 8.8568 8.8568 10.2005 10.2005 10.2692 10.2692 13.7189 13.7189 13.8518 13.8518 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 5.0501 5.0501 5.1436 5.1436 5.8560 5.8560 5.9128 5.9128 6.2284 6.2284 6.3806 6.3806 7.0865 7.0865 7.1035 7.1035 7.5645 7.5645 7.7049 7.7049 8.0191 8.0191 8.0323 8.0323 8.4490 8.4490 8.4747 8.4747 8.8417 8.8417 8.9182 8.9182 10.2234 10.2234 10.2931 10.2931 13.6471 13.6471 13.7766 13.7766 k = 0.4130 0.3357-0.0000 ( 3556 PWs) bands (ev): 0.2209 0.2209 0.2254 0.2254 1.6014 1.6014 1.6074 1.6074 5.0501 5.0501 5.1601 5.1601 5.9085 5.9085 5.9266 5.9266 6.2120 6.2120 6.3505 6.3505 7.0868 7.0868 7.1093 7.1093 7.6007 7.6007 7.7288 7.7288 8.0210 8.0210 8.0342 8.0342 8.4592 8.4592 8.4898 8.4898 8.8970 8.8970 8.9897 8.9897 10.2501 10.2501 10.3208 10.3208 13.5752 13.5752 13.7019 13.7019 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 5.0507 5.0507 5.1774 5.1774 5.9262 5.9262 5.9611 5.9611 6.2157 6.2157 6.3257 6.3257 7.0919 7.0919 7.1191 7.1191 7.6328 7.6328 7.7489 7.7489 8.0225 8.0225 8.0357 8.0357 8.4694 8.4694 8.5044 8.5044 8.9618 8.9618 9.0704 9.0704 10.2805 10.2805 10.3523 10.3523 13.5039 13.5039 13.6285 13.6285 k = 0.3913 0.3357-0.0000 ( 3560 PWs) bands (ev): 0.0855 0.0855 0.0896 0.0896 1.6194 1.6194 1.6249 1.6249 5.0506 5.0506 5.1933 5.1933 5.9156 5.9156 6.0122 6.0122 6.2383 6.2383 6.3095 6.3095 7.1016 7.1016 7.1325 7.1325 7.6612 7.6612 7.7656 7.7656 8.0235 8.0235 8.0369 8.0369 8.4797 8.4797 8.5186 8.5186 9.0357 9.0357 9.1594 9.1594 10.3147 10.3147 10.3878 10.3878 13.4339 13.4339 13.5569 13.5569 k = 0.3804 0.3357-0.0000 ( 3544 PWs) bands (ev): 0.0156 0.0156 0.0195 0.0195 1.6225 1.6225 1.6277 1.6277 5.0484 5.0484 5.2044 5.2044 5.9042 5.9042 6.0598 6.0598 6.2738 6.2738 6.3056 6.3056 7.1151 7.1151 7.1490 7.1490 7.6861 7.6861 7.7794 7.7794 8.0241 8.0241 8.0378 8.0378 8.4903 8.4903 8.5327 8.5327 9.1178 9.1178 9.2555 9.2555 10.3527 10.3527 10.4270 10.4270 13.3657 13.3657 13.4877 13.4877 k = 0.3696 0.3357-0.0000 ( 3540 PWs) bands (ev): -0.0551 -0.0551 -0.0514 -0.0514 1.6212 1.6212 1.6262 1.6262 5.0423 5.0423 5.2071 5.2071 5.9010 5.9010 6.1032 6.1032 6.3165 6.3165 6.3165 6.3165 7.1319 7.1319 7.1680 7.1680 7.7079 7.7079 7.7904 7.7904 8.0243 8.0243 8.0382 8.0382 8.5014 8.5014 8.5468 8.5468 9.2072 9.2072 9.3578 9.3578 10.3943 10.3943 10.4699 10.4699 13.3000 13.3000 13.4215 13.4215 k = 0.3587 0.3357-0.0000 ( 3542 PWs) bands (ev): -0.1260 -0.1260 -0.1226 -0.1226 1.6159 1.6159 1.6205 1.6205 5.0311 5.0311 5.1983 5.1983 5.9121 5.9121 6.1433 6.1433 6.3421 6.3421 6.3633 6.3633 7.1516 7.1516 7.1889 7.1889 7.7269 7.7269 7.7992 7.7992 8.0242 8.0242 8.0386 8.0386 8.5133 8.5133 8.5612 8.5612 9.3028 9.3028 9.4654 9.4654 10.4394 10.4394 10.5163 10.5163 13.2371 13.2371 13.3586 13.3586 k = 0.3478 0.3357-0.0000 ( 3542 PWs) bands (ev): -0.1968 -0.1968 -0.1935 -0.1935 1.6066 1.6066 1.6109 1.6109 5.0137 5.0137 5.1770 5.1770 5.9400 5.9400 6.1835 6.1835 6.3799 6.3799 6.4121 6.4121 7.1738 7.1738 7.2115 7.2115 7.7435 7.7435 7.8059 7.8059 8.0240 8.0240 8.0388 8.0388 8.5262 8.5262 8.5763 8.5763 9.4041 9.4041 9.5777 9.5777 10.4877 10.4877 10.5659 10.5659 13.1778 13.1778 13.2998 13.2998 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 4.9898 4.9898 5.1440 5.1440 5.9843 5.9843 6.2273 6.2273 6.4261 6.4261 6.4622 6.4622 7.1979 7.1979 7.2353 7.2353 7.7579 7.7579 7.8109 7.8109 8.0239 8.0239 8.0391 8.0391 8.5404 8.5404 8.5923 8.5923 9.5103 9.5103 9.6941 9.6941 10.5387 10.5387 10.6182 10.6182 13.1226 13.1226 13.2456 13.2456 k = 0.3261 0.3357-0.0000 ( 3540 PWs) bands (ev): -0.3367 -0.3367 -0.3338 -0.3338 1.5773 1.5773 1.5811 1.5811 4.9598 4.9598 5.1018 5.1018 6.0423 6.0423 6.2762 6.2762 6.4783 6.4783 6.5132 6.5132 7.2237 7.2237 7.2600 7.2600 7.7702 7.7702 7.8142 7.8142 8.0240 8.0240 8.0396 8.0396 8.5562 8.5562 8.6097 8.6097 9.6209 9.6209 9.8141 9.8141 10.5920 10.5920 10.6728 10.6728 13.0721 13.0721 13.1966 13.1966 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 4.9242 4.9242 5.0528 5.0528 6.1106 6.1106 6.3298 6.3298 6.5353 6.5353 6.5652 6.5652 7.2506 7.2506 7.2852 7.2852 7.7804 7.7804 7.8162 7.8162 8.0245 8.0245 8.0403 8.0403 8.5740 8.5740 8.6287 8.6287 9.7353 9.7353 9.9373 9.9373 10.6468 10.6468 10.7292 10.7292 13.0271 13.0271 13.1535 13.1535 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 4.8841 4.8841 4.9994 4.9994 6.1858 6.1858 6.3864 6.3864 6.5975 6.5975 6.6186 6.6186 7.2785 7.2785 7.3107 7.3107 7.7888 7.7888 7.8169 7.8169 8.0256 8.0256 8.0414 8.0414 8.5943 8.5943 8.6499 8.6499 9.8531 9.8531 10.0637 10.0637 10.7026 10.7026 10.7868 10.7868 12.9883 12.9883 13.1169 13.1169 k = 0.2935 0.3357-0.0000 ( 3524 PWs) bands (ev): -0.5386 -0.5386 -0.5362 -0.5362 1.5122 1.5122 1.5154 1.5154 4.8404 4.8404 4.9433 4.9433 6.2645 6.2645 6.4433 6.4433 6.6653 6.6653 6.6742 6.6742 7.3070 7.3070 7.3363 7.3363 7.7952 7.7952 7.8164 7.8164 8.0274 8.0274 8.0429 8.0429 8.6173 8.6173 8.6733 8.6733 9.9735 9.9735 10.1926 10.1926 10.7584 10.7584 10.8450 10.8450 12.9563 12.9563 13.0877 13.0877 k = 0.2826 0.3357-0.0000 ( 3522 PWs) bands (ev): -0.6030 -0.6030 -0.6007 -0.6007 1.4865 1.4865 1.4895 1.4895 4.7942 4.7942 4.8857 4.8857 6.3436 6.3436 6.4983 6.4983 6.7328 6.7328 6.7389 6.7389 7.3361 7.3361 7.3623 7.3623 7.7998 7.7998 7.8148 7.8148 8.0299 8.0299 8.0448 8.0448 8.6435 8.6435 8.6994 8.6994 10.0959 10.0959 10.3238 10.3238 10.8138 10.8138 10.9034 10.9034 12.9320 12.9320 13.0663 13.0663 k = 0.2717 0.3357-0.0000 ( 3526 PWs) bands (ev): -0.6658 -0.6658 -0.6636 -0.6636 1.4593 1.4593 1.4621 1.4621 4.7462 4.7462 4.8277 4.8277 6.4202 6.4202 6.5501 6.5501 6.7951 6.7951 6.8174 6.8174 7.3659 7.3659 7.3887 7.3887 7.8025 7.8025 7.8123 7.8123 8.0331 8.0331 8.0471 8.0471 8.6735 8.6735 8.7288 8.7288 10.2193 10.2193 10.4562 10.4562 10.8684 10.8684 10.9621 10.9621 12.9160 12.9160 13.0535 13.0535 k = 0.2609 0.3357-0.0000 ( 3526 PWs) bands (ev): -0.7267 -0.7267 -0.7247 -0.7247 1.4311 1.4311 1.4338 1.4338 4.6973 4.6973 4.7698 4.7698 6.4918 6.4918 6.5983 6.5983 6.8612 6.8612 6.8988 6.8988 7.3967 7.3967 7.4161 7.4161 7.8036 7.8036 7.8091 7.8091 8.0370 8.0370 8.0499 8.0499 8.7082 8.7082 8.7620 8.7620 10.3420 10.3420 10.5879 10.5879 10.9233 10.9233 11.0215 11.0215 12.9088 12.9088 13.0497 13.0497 k = 0.2500 0.3357-0.0000 ( 3522 PWs) bands (ev): -0.7856 -0.7856 -0.7838 -0.7838 1.4023 1.4023 1.4047 1.4047 4.6481 4.6481 4.7128 4.7128 6.5571 6.5571 6.6432 6.6432 6.9303 6.9303 6.9802 6.9802 7.4292 7.4292 7.4452 7.4452 7.8033 7.8033 7.8053 7.8053 8.0415 8.0415 8.0531 8.0531 8.7482 8.7482 8.7998 8.7998 10.4617 10.4617 10.7144 10.7144 10.9820 10.9820 11.0831 11.0831 12.9107 12.9107 13.0551 13.0551 k = 0.2391 0.3357-0.0000 ( 3526 PWs) bands (ev): -0.8426 -0.8426 -0.8409 -0.8409 1.3729 1.3729 1.3753 1.3753 4.5990 4.5990 4.6568 4.6568 6.6158 6.6158 6.6853 6.6853 6.9998 6.9998 7.0580 7.0580 7.4642 7.4642 7.4768 7.4768 7.8012 7.8012 7.8017 7.8017 8.0465 8.0465 8.0566 8.0566 8.7944 8.7944 8.8429 8.8429 10.5750 10.5750 10.8253 10.8253 11.0542 11.0542 11.1495 11.1495 12.9220 12.9220 13.0699 13.0699 k = 0.2283 0.3357-0.0000 ( 3530 PWs) bands (ev): -0.8975 -0.8975 -0.8958 -0.8958 1.3435 1.3435 1.3457 1.3457 4.5506 4.5506 4.6023 4.6023 6.6686 6.6686 6.7250 6.7250 7.0667 7.0667 7.1289 7.1289 7.5027 7.5027 7.5120 7.5120 7.7971 7.7971 7.7992 7.7992 8.0518 8.0518 8.0604 8.0604 8.8477 8.8477 8.8920 8.8920 10.6775 10.6775 10.9065 10.9065 11.1536 11.1536 11.2247 11.2247 12.9423 12.9423 13.0936 13.0936 k = 0.2174 0.3357-0.0000 ( 3528 PWs) bands (ev): -0.9502 -0.9502 -0.9486 -0.9486 1.3142 1.3142 1.3163 1.3163 4.5032 4.5032 4.5495 4.5495 6.7165 6.7165 6.7628 6.7628 7.1276 7.1276 7.1900 7.1900 7.5448 7.5448 7.5513 7.5513 7.7937 7.7937 7.7964 7.7964 8.0574 8.0574 8.0646 8.0646 8.9092 8.9092 8.9481 8.9481 10.7647 10.7647 10.9577 10.9577 11.2802 11.2802 11.3131 11.3131 12.9709 12.9709 13.1259 13.1259 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 4.4986 4.4986 6.7603 6.7603 6.7990 6.7990 7.1800 7.1800 7.2400 7.2400 7.5890 7.5890 7.5941 7.5941 7.7920 7.7920 7.7939 7.7939 8.0631 8.0631 8.0690 8.0690 8.9793 8.9793 9.0119 9.0119 10.8341 10.8341 10.9900 10.9900 11.4170 11.4170 11.4234 11.4234 13.0071 13.0071 13.1658 13.1658 k = 0.1957 0.3357-0.0000 ( 3524 PWs) bands (ev): -1.0487 -1.0487 -1.0474 -1.0474 1.2567 1.2567 1.2586 1.2586 4.4123 4.4123 4.4497 4.4497 6.8010 6.8010 6.8338 6.8338 7.2229 7.2229 7.2793 7.2793 7.6315 7.6315 7.6378 7.6378 7.7935 7.7935 7.7943 7.7943 8.0689 8.0689 8.0736 8.0736 9.0586 9.0586 9.0838 9.0838 10.8864 10.8864 11.0112 11.0112 11.5360 11.5360 11.5754 11.5754 13.0495 13.0495 13.2124 13.2124 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 4.3693 4.3693 4.4029 4.4029 6.8391 6.8391 6.8674 6.8674 7.2569 7.2569 7.3092 7.3092 7.6659 7.6659 7.6767 7.6767 7.7988 7.7988 7.8042 7.8042 8.0746 8.0746 8.0783 8.0783 9.1469 9.1469 9.1642 9.1642 10.9247 10.9247 11.0256 11.0256 11.6673 11.6673 11.7327 11.7327 13.0967 13.0967 13.2645 13.2645 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 4.3282 4.3282 4.3585 4.3585 6.8753 6.8753 6.8999 6.8999 7.2834 7.2834 7.3321 7.3321 7.6864 7.6864 7.7027 7.7027 7.8157 7.8157 7.8253 7.8253 8.0802 8.0802 8.0831 8.0831 9.2438 9.2438 9.2527 9.2527 10.9531 10.9531 11.0358 11.0358 11.8074 11.8074 11.8933 11.8933 13.1474 13.1474 13.3210 13.3210 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 4.2891 4.2891 4.3163 4.3163 6.9097 6.9097 6.9315 6.9315 7.3040 7.3040 7.3494 7.3494 7.6939 7.6939 7.7126 7.7126 7.8453 7.8453 7.8552 7.8552 8.0859 8.0859 8.0881 8.0881 9.3479 9.3479 9.3485 9.3485 10.9751 10.9751 11.0440 11.0440 11.9531 11.9531 12.0560 12.0560 13.1999 13.1999 13.3807 13.3807 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 4.2522 4.2522 4.2766 4.2766 6.9428 6.9428 6.9621 6.9621 7.3201 7.3201 7.3626 7.3626 7.6932 7.6932 7.7122 7.7122 7.8804 7.8804 7.8879 7.8879 8.0914 8.0914 8.0931 8.0931 9.4502 9.4502 9.4576 9.4576 10.9939 10.9939 11.0520 11.0520 12.1016 12.1016 12.2196 12.2196 13.2529 13.2529 13.4426 13.4426 k = 0.1413 0.3357-0.0000 ( 3550 PWs) bands (ev): -1.2532 -1.2532 -1.2523 -1.2523 1.1283 1.1283 1.1296 1.1296 4.2175 4.2175 4.2394 4.2394 6.9744 6.9744 6.9917 6.9917 7.3326 7.3326 7.3724 7.3724 7.6882 7.6882 7.7067 7.7067 7.9150 7.9150 7.9195 7.9195 8.0968 8.0968 8.0980 8.0980 9.5559 9.5559 9.5706 9.5706 11.0122 11.0122 11.0618 11.0618 12.2508 12.2508 12.3830 12.3830 13.3050 13.3050 13.5058 13.5058 k = 0.1304 0.3357-0.0000 ( 3550 PWs) bands (ev): -1.2865 -1.2865 -1.2858 -1.2858 1.1064 1.1064 1.1075 1.1075 4.1852 4.1852 4.2047 4.2047 7.0047 7.0047 7.0204 7.0204 7.3425 7.3425 7.3799 7.3799 7.6808 7.6808 7.6988 7.6988 7.9466 7.9466 7.9482 7.9482 8.1021 8.1021 8.1029 8.1029 9.6631 9.6631 9.6841 9.6841 11.0325 11.0325 11.0753 11.0753 12.3983 12.3983 12.5447 12.5447 13.3550 13.3550 13.5697 13.5697 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 4.1552 4.1552 4.1726 4.1726 7.0339 7.0339 7.0480 7.0480 7.3504 7.3504 7.3854 7.3854 7.6721 7.6721 7.6894 7.6894 7.9734 7.9734 7.9743 7.9743 8.1073 8.1073 8.1078 8.1078 9.7690 9.7690 9.7950 9.7950 11.0571 11.0571 11.0946 11.0946 12.5421 12.5421 12.7033 12.7033 13.4018 13.4018 13.6337 13.6337 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 4.1277 4.1277 4.1431 4.1431 7.0617 7.0617 7.0744 7.0744 7.3567 7.3567 7.3893 7.3893 7.6625 7.6625 7.6791 7.6791 7.9951 7.9951 7.9979 7.9979 8.1122 8.1122 8.1124 8.1124 9.8703 9.8703 9.9000 9.9000 11.0882 11.0882 11.1218 11.1218 12.6799 12.6799 12.8568 12.8568 13.4446 13.4446 13.6975 13.6975 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 4.1163 4.1163 7.0882 7.0882 7.0996 7.0996 7.3618 7.3618 7.3920 7.3920 7.6525 7.6525 7.6684 7.6684 8.0136 8.0136 8.0176 8.0176 8.1169 8.1169 8.1171 8.1171 9.9641 9.9641 9.9958 9.9958 11.1277 11.1277 11.1587 11.1587 12.8093 12.8093 13.0024 13.0024 13.4827 13.4827 13.7604 13.7604 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 4.0804 4.0804 4.0922 4.0922 7.1131 7.1131 7.1233 7.1233 7.3659 7.3659 7.3936 7.3936 7.6423 7.6423 7.6573 7.6573 8.0292 8.0292 8.0337 8.0337 8.1211 8.1211 8.1217 8.1217 10.0476 10.0476 10.0795 10.0795 11.1767 11.1767 11.2062 11.2062 12.9279 12.9279 13.1364 13.1364 13.5162 13.5162 13.8213 13.8213 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 7.1364 7.1364 7.1453 7.1453 7.3694 7.3694 7.3945 7.3945 7.6322 7.6322 7.6463 7.6463 8.0422 8.0422 8.0468 8.0468 8.1251 8.1251 8.1260 8.1260 10.1190 10.1190 10.1494 10.1494 11.2350 11.2350 11.2638 11.2638 13.0335 13.0335 13.2534 13.2534 13.5462 13.5462 13.8773 13.8773 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 4.0521 4.0521 7.1578 7.1578 7.1655 7.1655 7.3723 7.3723 7.3946 7.3946 7.6226 7.6226 7.6355 7.6355 8.0528 8.0528 8.0573 8.0573 8.1288 8.1288 8.1300 8.1300 10.1776 10.1776 10.2052 10.2052 11.3010 11.3010 11.3294 11.3294 13.1245 13.1245 13.3454 13.3454 13.5765 13.5765 13.9214 13.9214 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 7.1770 7.1770 7.1833 7.1833 7.3748 7.3748 7.3942 7.3942 7.6137 7.6137 7.6252 7.6252 8.0614 8.0614 8.0653 8.0653 8.1320 8.1320 8.1334 8.1334 10.2238 10.2238 10.2477 10.2477 11.3713 11.3713 11.3988 11.3988 13.1998 13.1998 13.4037 13.4037 13.6126 13.6126 13.9414 13.9414 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 4.0230 4.0230 7.1936 7.1936 7.1987 7.1987 7.3771 7.3771 7.3932 7.3932 7.6060 7.6060 7.6158 7.6158 8.0683 8.0683 8.0714 8.0714 8.1348 8.1348 8.1362 8.1362 10.2591 10.2591 10.2785 10.2785 11.4412 11.4412 11.4667 11.4667 13.2598 13.2598 13.4280 13.4280 13.6548 13.6548 13.9310 13.9310 k = 0.0326 0.3357-0.0000 ( 3556 PWs) bands (ev): -1.4683 -1.4683 -1.4682 -1.4682 0.9823 0.9823 0.9826 0.9826 4.0085 4.0085 4.0126 4.0126 7.2073 7.2073 7.2111 7.2111 7.3793 7.3793 7.3918 7.3918 7.5998 7.5998 7.6075 7.6075 8.0735 8.0735 8.0759 8.0759 8.1372 8.1372 8.1384 8.1384 10.2849 10.2849 10.2996 10.2996 11.5054 11.5054 11.5271 11.5271 13.3056 13.3056 13.4294 13.4294 13.6962 13.6962 13.9016 13.9016 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 7.2177 7.2177 7.2202 7.2202 7.3815 7.3815 7.3901 7.3901 7.5954 7.5954 7.6008 7.6008 8.0772 8.0772 8.0788 8.0788 8.1390 8.1390 8.1398 8.1398 10.3028 10.3028 10.3126 10.3126 11.5581 11.5581 11.5741 11.5741 13.3396 13.3396 13.4189 13.4189 13.7330 13.7330 13.8661 13.8661 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 4.0001 4.0001 7.2244 7.2244 7.2256 7.2256 7.3837 7.3837 7.3881 7.3881 7.5932 7.5932 7.5960 7.5960 8.0796 8.0796 8.0804 8.0804 8.1402 8.1402 8.1406 8.1406 10.3141 10.3141 10.3190 10.3190 11.5941 11.5941 11.6026 11.6026 13.3650 13.3650 13.4033 13.4033 13.7660 13.7660 13.8309 13.8309 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 7.2270 7.2270 7.2270 7.2270 7.3859 7.3859 7.3859 7.3859 7.5934 7.5934 7.5934 7.5934 8.0806 8.0806 8.0806 8.0806 8.1407 8.1407 8.1407 8.1407 10.3194 10.3194 10.3194 10.3194 11.6095 11.6095 11.6095 11.6095 13.3854 13.3854 13.3854 13.3854 13.7978 13.7978 13.7978 13.7978 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 7.2270 7.2270 7.2270 7.2270 7.3859 7.3859 7.3859 7.3859 7.5934 7.5934 7.5934 7.5934 8.0806 8.0806 8.0806 8.0806 8.1407 8.1407 8.1407 8.1407 10.3194 10.3194 10.3194 10.3194 11.6095 11.6095 11.6095 11.6095 13.3854 13.3854 13.3854 13.3854 13.7978 13.7978 13.7978 13.7978 k = 0.0000 0.3249-0.0000 ( 3536 PWs) bands (ev): -1.5698 -1.5698 -1.3884 -1.3884 0.9681 0.9681 0.9766 0.9766 3.9921 3.9921 4.0119 4.0119 7.2241 7.2241 7.2304 7.2304 7.3727 7.3727 7.3956 7.3956 7.5612 7.5612 7.6234 7.6234 8.0790 8.0790 8.0823 8.0823 8.1372 8.1372 8.1441 8.1441 10.1648 10.1648 10.4729 10.4729 11.4989 11.4989 11.7223 11.7223 13.3616 13.3616 13.3932 13.3932 13.7338 13.7338 13.8651 13.8651 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 3.9937 3.9937 4.0335 4.0335 7.2213 7.2213 7.2339 7.2339 7.3569 7.3569 7.3979 7.3979 7.5297 7.5297 7.6499 7.6499 8.0774 8.0774 8.0836 8.0836 8.1335 8.1335 8.1471 8.1471 10.0118 10.0118 10.6223 10.6223 11.3905 11.3905 11.8369 11.8369 13.3198 13.3198 13.3834 13.3834 13.6858 13.6858 13.9271 13.9271 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 7.2188 7.2188 7.2378 7.2378 7.3382 7.3382 7.3856 7.3856 7.5068 7.5068 7.6731 7.6731 8.0759 8.0759 8.0847 8.0847 8.1300 8.1300 8.1498 8.1498 9.8630 9.8630 10.7640 10.7640 11.2847 11.2847 11.9529 11.9529 13.2524 13.2524 13.3617 13.3617 13.6620 13.6620 13.9793 13.9793 k = 0.0000 0.2924-0.0000 ( 3548 PWs) bands (ev): -1.8209 -1.8209 -1.0962 -1.0962 0.9341 0.9341 0.9675 0.9675 4.0194 4.0194 4.0996 4.0996 7.2165 7.2165 7.2417 7.2417 7.3117 7.3117 7.3563 7.3563 7.4988 7.4988 7.6933 7.6933 8.0745 8.0745 8.0853 8.0853 8.1268 8.1268 8.1521 8.1521 9.7204 9.7204 10.8935 10.8935 11.1823 11.1823 12.0697 12.0697 13.1579 13.1579 13.3387 13.3387 13.6583 13.6583 14.0202 14.0202 k = 0.0000 0.2816-0.0000 ( 3556 PWs) bands (ev): -1.8990 -1.8990 -0.9935 -0.9935 0.9177 0.9177 0.9590 0.9590 4.0429 4.0429 4.1439 4.1439 7.2139 7.2139 7.2441 7.2441 7.2659 7.2659 7.3271 7.3271 7.5016 7.5016 7.7107 7.7107 8.0731 8.0731 8.0852 8.0852 8.1241 8.1241 8.1539 8.1539 9.5861 9.5861 10.9988 10.9988 11.0914 11.0914 12.1861 12.1861 13.0441 13.0441 13.3207 13.3207 13.6656 13.6656 14.0508 14.0508 k = 0.0000 0.2708-0.0000 ( 3556 PWs) bands (ev): -1.9742 -1.9742 -0.8884 -0.8884 0.8991 0.8991 0.9483 0.9483 4.0730 4.0730 4.1953 4.1953 7.1851 7.1851 7.2174 7.2174 7.2520 7.2520 7.3057 7.3057 7.5092 7.5092 7.7256 7.7256 8.0718 8.0718 8.0843 8.0843 8.1222 8.1222 8.1553 8.1553 9.4617 9.4617 10.9690 10.9690 11.1185 11.1185 12.2997 12.2997 12.9192 12.9192 13.3108 13.3108 13.6776 13.6776 14.0737 14.0738 k = 0.0000 0.2599-0.0000 ( 3556 PWs) bands (ev): -2.0465 -2.0465 -0.7807 -0.7807 0.8788 0.8788 0.9354 0.9354 4.1095 4.1095 4.2536 4.2536 7.0986 7.0986 7.2142 7.2142 7.2558 7.2558 7.2876 7.2876 7.5185 7.5185 7.7383 7.7383 8.0702 8.0702 8.0829 8.0829 8.1211 8.1211 8.1564 8.1564 9.3483 9.3483 10.8767 10.8767 11.1867 11.1867 12.4049 12.4049 12.7921 12.7921 13.3118 13.3118 13.6907 13.6907 14.0927 14.0927 k = 0.0000 0.2491-0.0000 ( 3552 PWs) bands (ev): -2.1160 -2.1160 -0.6707 -0.6707 0.8570 0.8570 0.9207 0.9207 4.1517 4.1517 4.3184 4.3184 6.9963 6.9963 7.2132 7.2132 7.2578 7.2578 7.2729 7.2729 7.5285 7.5285 7.7489 7.7489 8.0681 8.0681 8.0814 8.0814 8.1207 8.1207 8.1570 8.1570 9.2467 9.2467 10.7838 10.7838 11.2310 11.2310 12.4760 12.4760 12.6888 12.6888 13.3262 13.3262 13.7025 13.7025 14.1126 14.1126 k = 0.0000 0.2383-0.0000 ( 3548 PWs) bands (ev): -2.1826 -2.1826 -0.5584 -0.5584 0.8341 0.8341 0.9045 0.9045 4.1994 4.1994 4.3894 4.3894 6.8812 6.8812 7.2126 7.2126 7.2487 7.2487 7.2703 7.2703 7.5385 7.5385 7.7578 7.7578 8.0649 8.0649 8.0804 8.0804 8.1205 8.1205 8.1574 8.1574 9.1571 9.1571 10.6929 10.6929 11.2467 11.2467 12.4281 12.4281 12.6941 12.6941 13.3549 13.3549 13.7107 13.7107 14.1389 14.1389 k = 0.0000 0.2274-0.0000 ( 3546 PWs) bands (ev): -2.2463 -2.2463 -0.4440 -0.4440 0.8105 0.8105 0.8871 0.8871 4.2519 4.2519 4.4662 4.4662 6.7548 6.7548 7.2121 7.2121 7.2335 7.2335 7.2744 7.2744 7.5483 7.5483 7.7649 7.7649 8.0607 8.0607 8.0803 8.0803 8.1203 8.1203 8.1577 8.1577 9.0790 9.0790 10.6045 10.6045 11.2333 11.2333 12.3002 12.3002 12.7677 12.7677 13.3979 13.3979 13.7131 13.7131 14.1743 14.1743 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 4.5485 4.5485 6.6183 6.6183 7.2099 7.2099 7.2198 7.2198 7.2794 7.2794 7.5578 7.5578 7.7703 7.7703 8.0558 8.0558 8.0808 8.0808 8.1197 8.1197 8.1579 8.1579 9.0120 9.0120 10.5189 10.5189 11.1925 11.1925 12.1563 12.1563 12.8444 12.8444 13.4540 13.4540 13.7086 13.7086 14.2050 14.2050 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 4.3695 4.3695 4.6359 4.6359 6.4732 6.4732 7.1986 7.1986 7.2155 7.2155 7.2848 7.2848 7.5669 7.5669 7.7744 7.7744 8.0504 8.0504 8.0820 8.0820 8.1183 8.1183 8.1584 8.1584 8.9549 8.9549 10.4361 10.4361 11.1275 11.1275 12.0084 12.0084 12.9114 12.9114 13.5219 13.5219 13.6976 13.6976 14.2233 14.2233 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 4.4334 4.4334 4.7279 4.7279 6.3211 6.3211 7.1836 7.1836 7.2156 7.2156 7.2902 7.2902 7.5756 7.5756 7.7767 7.7767 8.0449 8.0449 8.0835 8.0835 8.1160 8.1160 8.1593 8.1593 8.9067 8.9067 10.3563 10.3563 11.0422 11.0422 11.8599 11.8599 12.9652 12.9652 13.6000 13.6000 13.6820 13.6820 14.2400 14.2400 k = 0.0000 0.1841-0.0000 ( 3536 PWs) bands (ev): -2.4717 -2.4717 0.0296 0.0296 0.7182 0.7182 0.8104 0.8104 4.5000 4.5000 4.8242 4.8242 6.1635 6.1635 7.1684 7.1684 7.2164 7.2164 7.2957 7.2957 7.5841 7.5841 7.7775 7.7775 8.0394 8.0394 8.0849 8.0849 8.1129 8.1129 8.1605 8.1605 8.8663 8.8663 10.2796 10.2796 10.9406 10.9406 11.7125 11.7125 13.0053 13.0053 13.6588 13.6588 13.6916 13.6916 14.2579 14.2579 k = 0.0000 0.1733-0.0000 ( 3526 PWs) bands (ev): -2.5208 -2.5208 0.1489 0.1489 0.6996 0.6996 0.7908 0.7908 4.5683 4.5683 4.9244 4.9244 6.0019 6.0019 7.1536 7.1536 7.2175 7.2175 7.3013 7.3013 7.5921 7.5921 7.7768 7.7768 8.0339 8.0339 8.0855 8.0855 8.1097 8.1097 8.1622 8.1622 8.8324 8.8324 10.2060 10.2060 10.8265 10.8265 11.5674 11.5674 13.0331 13.0331 13.6399 13.6399 13.7848 13.7848 14.2780 14.2780 k = 0.0000 0.1625-0.0000 ( 3534 PWs) bands (ev): -2.5669 -2.5669 0.2648 0.2648 0.6865 0.6865 0.7715 0.7715 4.6375 4.6375 5.0280 5.0280 5.8380 5.8380 7.1392 7.1392 7.2187 7.2187 7.3066 7.3066 7.5999 7.5999 7.7743 7.7743 8.0284 8.0284 8.0836 8.0836 8.1075 8.1075 8.1640 8.1640 8.8041 8.8041 10.1358 10.1358 10.7033 10.7033 11.4256 11.4256 13.0505 13.0505 13.6186 13.6186 13.8845 13.8845 14.3010 14.3010 k = 0.0000 0.1516-0.0000 ( 3532 PWs) bands (ev): -2.6100 -2.6100 0.3708 0.3708 0.6854 0.6854 0.7526 0.7526 4.7063 4.7063 5.1346 5.1346 5.6737 5.6737 7.1254 7.1254 7.2201 7.2201 7.3118 7.3118 7.6076 7.6076 7.7700 7.7700 8.0232 8.0232 8.0780 8.0780 8.1079 8.1079 8.1661 8.1661 8.7805 8.7805 10.0689 10.0689 10.5740 10.5740 11.2879 11.2879 13.0598 13.0598 13.5976 13.5976 13.9852 13.9852 14.3290 14.3290 k = 0.0000 0.1408-0.0000 ( 3528 PWs) bands (ev): -2.6502 -2.6502 0.4520 0.4520 0.7113 0.7113 0.7344 0.7344 4.7724 4.7724 5.2437 5.2437 5.5118 5.5118 7.1120 7.1120 7.2217 7.2217 7.3169 7.3169 7.6151 7.6151 7.7637 7.7637 8.0180 8.0180 8.0690 8.0690 8.1104 8.1104 8.1684 8.1684 8.7610 8.7610 10.0055 10.0055 10.4413 10.4413 11.1552 11.1552 13.0631 13.0631 13.5774 13.5774 14.0807 14.0807 14.3659 14.3659 k = 0.0000 0.1300-0.0000 ( 3522 PWs) bands (ev): -2.6874 -2.6874 0.4924 0.4924 0.7169 0.7169 0.7799 0.7799 4.8307 4.8307 5.3544 5.3544 5.3580 5.3580 7.0992 7.0992 7.2233 7.2233 7.3218 7.3218 7.6227 7.6227 7.7554 7.7554 8.0129 8.0129 8.0574 8.0574 8.1141 8.1141 8.1708 8.1708 8.7447 8.7447 9.9455 9.9455 10.3076 10.3076 11.0284 11.0284 13.0620 13.0620 13.5584 13.5584 14.1625 14.1625 14.4162 14.4162 k = 0.0000 0.1191-0.0000 ( 3526 PWs) bands (ev): -2.7216 -2.7216 0.5013 0.5013 0.7003 0.7003 0.8815 0.8815 4.8669 4.8669 5.2262 5.2262 5.4670 5.4670 7.0869 7.0869 7.2248 7.2248 7.3264 7.3264 7.6305 7.6305 7.7446 7.7446 8.0076 8.0076 8.0440 8.0440 8.1184 8.1184 8.1731 8.1731 8.7312 8.7312 9.8887 9.8887 10.1754 10.1754 10.9081 10.9081 13.0579 13.0579 13.5407 13.5407 14.2234 14.2234 14.4176 14.4176 k = 0.0000 0.1083-0.0000 ( 3518 PWs) bands (ev): -2.7529 -2.7529 0.4965 0.4965 0.6849 0.6849 0.9979 0.9979 4.8428 4.8428 5.1556 5.1556 5.5800 5.5800 7.0751 7.0751 7.2264 7.2264 7.3308 7.3308 7.6385 7.6385 7.7314 7.7314 8.0015 8.0015 8.0298 8.0298 8.1231 8.1231 8.1756 8.1756 8.7200 8.7200 9.8345 9.8345 10.0476 10.0476 10.7953 10.7953 13.0518 13.0518 13.5246 13.5246 14.2648 14.2648 14.4185 14.4185 k = 0.0000 0.0975-0.0000 ( 3512 PWs) bands (ev): -2.7812 -2.7812 0.4868 0.4868 0.6706 0.6706 1.1196 1.1196 4.7418 4.7418 5.1628 5.1628 5.6927 5.6927 7.0638 7.0638 7.2279 7.2279 7.3348 7.3348 7.6467 7.6467 7.7157 7.7157 7.9926 7.9926 8.0170 8.0170 8.1279 8.1279 8.1780 8.1780 8.7107 8.7107 9.7809 9.7809 9.9282 9.9282 10.6906 10.6906 13.0446 13.0446 13.5100 13.5100 14.2935 14.2935 14.4192 14.4192 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 4.6076 4.6076 5.2049 5.2049 5.8041 5.8041 7.0527 7.0527 7.2293 7.2293 7.3385 7.3385 7.6544 7.6544 7.6983 7.6983 7.9783 7.9783 8.0082 8.0082 8.1326 8.1326 8.1802 8.1802 8.7031 8.7031 9.7208 9.7208 9.8263 9.8263 10.5948 10.5948 13.0368 13.0368 13.4969 13.4969 14.3148 14.3148 14.4196 14.4196 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 4.4670 4.4670 5.2554 5.2554 5.9130 5.9130 7.0420 7.0420 7.2305 7.2305 7.3419 7.3419 7.6567 7.6567 7.6841 7.6841 7.9595 7.9595 8.0028 8.0028 8.1370 8.1370 8.1822 8.1822 8.6968 8.6968 9.6431 9.6431 9.7550 9.7550 10.5085 10.5085 13.0290 13.0290 13.4855 13.4855 14.3317 14.3317 14.4199 14.4199 k = 0.0000 0.0650-0.0000 ( 3509 PWs) bands (ev): -2.8483 -2.8483 0.4540 0.4540 0.6356 0.6356 1.4802 1.4802 4.3298 4.3298 5.3057 5.3057 6.0178 6.0178 7.0313 7.0313 7.2317 7.2317 7.3448 7.3448 7.6415 7.6415 7.6859 7.6859 7.9383 7.9383 7.9991 7.9991 8.1412 8.1412 8.1843 8.1843 8.6916 8.6916 9.5550 9.5550 9.7092 9.7092 10.4323 10.4323 13.0217 13.0217 13.4756 13.4756 14.3453 14.3453 14.4201 14.4201 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 4.2013 4.2013 5.3520 5.3520 6.1164 6.1164 7.0206 7.0206 7.2327 7.2327 7.3474 7.3474 7.6171 7.6171 7.6964 7.6964 7.9158 7.9158 7.9962 7.9962 8.1448 8.1448 8.1860 8.1860 8.6874 8.6874 9.4711 9.4711 9.6761 9.6761 10.3669 10.3669 13.0150 13.0150 13.4672 13.4672 14.3564 14.3564 14.4202 14.4202 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 4.0858 4.0858 5.3923 5.3923 6.2062 6.2062 7.0098 7.0098 7.2334 7.2334 7.3495 7.3495 7.5909 7.5909 7.7094 7.7094 7.8928 7.8928 7.9941 7.9941 8.1479 8.1479 8.1876 8.1876 8.6840 8.6840 9.3982 9.3982 9.6507 9.6507 10.3126 10.3126 13.0092 13.0092 13.4604 13.4604 14.3654 14.3654 14.4203 14.4203 k = 0.0000 0.0325-0.0000 ( 3529 PWs) bands (ev): -2.8886 -2.8886 0.4308 0.4308 0.6138 0.6138 1.7748 1.7748 3.9878 3.9878 5.4251 5.4251 6.2836 6.2836 6.9993 6.9993 7.2340 7.2340 7.3510 7.3510 7.5659 7.5659 7.7239 7.7239 7.8702 7.8702 7.9925 7.9925 8.1503 8.1503 8.1889 8.1889 8.6815 8.6815 9.3393 9.3393 9.6316 9.6316 10.2700 10.2700 13.0045 13.0045 13.4552 13.4552 14.3723 14.3723 14.4203 14.4203 k = 0.0000 0.0217-0.0000 ( 3525 PWs) bands (ev): -2.8960 -2.8960 0.4263 0.4263 0.6098 0.6098 1.8408 1.8408 3.9125 3.9125 5.4493 5.4493 6.3445 6.3445 6.9899 6.9899 7.2344 7.2344 7.3522 7.3522 7.5453 7.5453 7.7389 7.7389 7.8490 7.8490 7.9914 7.9914 8.1521 8.1521 8.1899 8.1899 8.6798 8.6798 9.2961 9.2961 9.6182 9.6182 10.2393 10.2393 13.0011 13.0011 13.4514 13.4514 14.3772 14.3772 14.4203 14.4203 k = 0.0000 0.0108-0.0000 ( 3531 PWs) bands (ev): -2.9005 -2.9005 0.4236 0.4236 0.6073 0.6073 1.8830 1.8830 3.8647 3.8647 5.4641 5.4641 6.3838 6.3838 6.9830 6.9830 7.2346 7.2346 7.3529 7.3529 7.5315 7.5315 7.7522 7.7522 7.8319 7.8319 7.9908 7.9908 8.1531 8.1531 8.1904 8.1904 8.6786 8.6786 9.2698 9.2698 9.6102 9.6102 10.2208 10.2208 12.9990 12.9990 13.4491 13.4491 14.3802 14.3802 14.4202 14.4202 k = 0.0000 0.0000 0.0000 ( 3525 PWs) bands (ev): -2.9020 -2.9020 0.4227 0.4227 0.6065 0.6065 1.8975 1.8975 3.8483 3.8483 5.4691 5.4691 6.3975 6.3975 6.9805 6.9805 7.2347 7.2347 7.3532 7.3532 7.5266 7.5266 7.7582 7.7582 7.8245 7.8245 7.9905 7.9905 8.1535 8.1535 8.1907 8.1907 8.6784 8.6784 9.2610 9.2610 9.6075 9.6075 10.2146 10.2146 12.9983 12.9983 13.4484 13.4484 14.3812 14.3812 14.4202 14.4202 k = 0.0000 0.0000 0.0000 ( 3525 PWs) bands (ev): -2.9020 -2.9020 0.4227 0.4227 0.6065 0.6065 1.8975 1.8975 3.8483 3.8483 5.4691 5.4691 6.3975 6.3975 6.9805 6.9805 7.2347 7.2347 7.3532 7.3532 7.5266 7.5266 7.7582 7.7582 7.8245 7.8245 7.9905 7.9905 8.1535 8.1535 8.1907 8.1907 8.6784 8.6784 9.2610 9.2610 9.6075 9.6075 10.2146 10.2146 12.9983 12.9983 13.4484 13.4484 14.3812 14.3812 14.4202 14.4202 k = 0.0000 0.0000 0.0110 ( 3521 PWs) bands (ev): -2.9005 -2.9005 0.3681 0.3681 0.6603 0.6603 1.8982 1.8982 3.8501 3.8501 5.4688 5.4688 6.3953 6.3953 6.9817 6.9817 7.2347 7.2347 7.3532 7.3532 7.5043 7.5043 7.7586 7.7586 7.8413 7.8413 7.9928 7.9928 8.1533 8.1533 8.1901 8.1901 8.6785 8.6785 9.2671 9.2671 9.6106 9.6106 10.2177 10.2177 12.9890 12.9890 13.4194 13.4194 14.3799 14.3799 14.4289 14.4289 k = 0.0000 0.0000 0.0220 ( 3533 PWs) bands (ev): -2.8960 -2.8960 0.2685 0.2685 0.7579 0.7579 1.9001 1.9001 3.8555 3.8555 5.4680 5.4680 6.3887 6.3887 6.9850 6.9850 7.2344 7.2344 7.3530 7.3530 7.4491 7.4491 7.7613 7.7613 7.8767 7.8767 8.0010 8.0010 8.1524 8.1524 8.1882 8.1882 8.6790 8.6790 9.2853 9.2853 9.6198 9.6198 10.2272 10.2272 12.9617 12.9617 13.3385 13.3385 14.3724 14.3724 14.4546 14.4546 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 3.8644 3.8644 5.4668 5.4668 6.3773 6.3773 6.9903 6.9903 7.2335 7.2335 7.3525 7.3525 7.3793 7.3793 7.7670 7.7670 7.9093 7.9093 8.0193 8.0193 8.1511 8.1511 8.1853 8.1853 8.6799 8.6799 9.3148 9.3148 9.6351 9.6351 10.2430 10.2430 12.9182 12.9182 13.2190 13.2190 14.3549 14.3549 14.4940 14.4940 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 3.8768 3.8768 5.4657 5.4657 6.3607 6.3607 6.9968 6.9968 7.2293 7.2293 7.3065 7.3065 7.3530 7.3530 7.7753 7.7753 7.9288 7.9288 8.0492 8.0492 8.1494 8.1494 8.1817 8.1817 8.6812 8.6812 9.3544 9.3544 9.6565 9.6565 10.2651 10.2651 12.8609 12.8609 13.0748 13.0748 14.3254 14.3254 14.5428 14.5428 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 3.8928 3.8928 5.4651 5.4651 6.3381 6.3381 7.0029 7.0029 7.2029 7.2029 7.2581 7.2581 7.3525 7.3525 7.7858 7.7858 7.9375 7.9375 8.0840 8.0840 8.1477 8.1477 8.1774 8.1774 8.6828 8.6828 9.4024 9.4024 9.6842 9.6842 10.2937 10.2937 12.7921 12.7921 12.9169 12.9169 14.2836 14.2836 14.5977 14.5977 k = 0.0000 0.0000 0.0661 ( 3527 PWs) bands (ev): -2.8480 -2.8480 -0.1746 -0.1746 1.1758 1.1758 1.9205 1.9205 3.9121 3.9121 5.4657 5.4657 6.3089 6.3089 7.0042 7.0042 7.1465 7.1465 7.2486 7.2486 7.3521 7.3521 7.7984 7.7984 7.9407 7.9407 8.1143 8.1143 8.1479 8.1479 8.1739 8.1739 8.6850 8.6850 9.4564 9.4564 9.7179 9.7179 10.3287 10.3287 12.7134 12.7134 12.7544 12.7544 14.2300 14.2300 14.6562 14.6562 k = 0.0000 0.0000 0.0771 ( 3535 PWs) bands (ev): -2.8286 -2.8286 -0.2855 -0.2855 1.2752 1.2752 1.9286 1.9286 3.9348 3.9348 5.4680 5.4680 6.2722 6.2722 6.9883 6.9883 7.1049 7.1049 7.2476 7.2476 7.3515 7.3515 7.8126 7.8126 7.9409 7.9409 8.1278 8.1278 8.1539 8.1539 8.1762 8.1762 8.6875 8.6875 9.5136 9.5136 9.7575 9.7575 10.3701 10.3701 12.5889 12.5889 12.6321 12.6321 14.1656 14.1656 14.7157 14.7157 k = 0.0000 0.0000 0.0881 ( 3535 PWs) bands (ev): -2.8061 -2.8061 -0.3956 -0.3956 1.3708 1.3708 1.9377 1.9377 3.9608 3.9608 5.4727 5.4727 6.2276 6.2276 6.9469 6.9469 7.0948 7.0948 7.2484 7.2484 7.3509 7.3509 7.8282 7.8282 7.9394 7.9394 8.1273 8.1273 8.1539 8.1539 8.1930 8.1930 8.6905 8.6905 9.5710 9.5710 9.8018 9.8018 10.4180 10.4180 12.4342 12.4342 12.5413 12.5413 14.0913 14.0913 14.7737 14.7737 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 3.9899 3.9899 5.4803 5.4803 6.1749 6.1749 6.8952 6.8952 7.1028 7.1028 7.2500 7.2500 7.3500 7.3500 7.8450 7.8450 7.9365 7.9365 8.1232 8.1232 8.1494 8.1494 8.2126 8.2126 8.6940 8.6940 9.6261 9.6261 9.8493 9.8493 10.4723 10.4723 12.2911 12.2911 12.4472 12.4472 14.0082 14.0082 14.8267 14.8267 k = 0.0000 0.0000 0.1102 ( 3521 PWs) bands (ev): -2.7523 -2.7523 -0.6118 -0.6118 1.5488 1.5488 1.9590 1.9590 4.0221 4.0221 5.4912 5.4912 6.1148 6.1148 6.8449 6.8449 7.1179 7.1179 7.2521 7.2521 7.3491 7.3491 7.8626 7.8626 7.9326 7.9326 8.1180 8.1180 8.1439 8.1439 8.2295 8.2295 8.6981 8.6981 9.6764 9.6764 9.8971 9.8971 10.5327 10.5327 12.1658 12.1658 12.3503 12.3503 13.9172 13.9172 14.8688 14.8688 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 4.0573 4.0573 5.5053 5.5053 6.0486 6.0486 6.7989 6.7989 7.1365 7.1365 7.2545 7.2545 7.3479 7.3479 7.8807 7.8807 7.9278 7.9278 8.1123 8.1123 8.1382 8.1382 8.2428 8.2428 8.7028 8.7028 9.7190 9.7190 9.9428 9.9428 10.5992 10.5992 12.0642 12.0642 12.2514 12.2514 13.8192 13.8192 14.8912 14.8912 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 4.0953 4.0953 5.5222 5.5222 5.9788 5.9788 6.7573 6.7573 7.1575 7.1575 7.2571 7.2571 7.3465 7.3465 7.8987 7.8987 7.9218 7.9218 8.1064 8.1064 8.1324 8.1324 8.2527 8.2527 8.7082 8.7082 9.7492 9.7492 9.9858 9.9858 10.6714 10.6714 11.9916 11.9916 12.1511 12.1511 13.7150 13.7150 14.8881 14.8881 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 4.1361 4.1361 5.5397 5.5397 5.9090 5.9090 6.7196 6.7196 7.1806 7.1806 7.2600 7.2600 7.3447 7.3447 7.9109 7.9109 7.9203 7.9203 8.1005 8.1005 8.1265 8.1265 8.2594 8.2594 8.7145 8.7145 9.7606 9.7606 10.0284 10.0284 10.7494 10.7494 11.9523 11.9523 12.0499 12.0499 13.6052 13.6052 14.8590 14.8590 k = 0.0000 0.0000 0.1543 ( 3515 PWs) bands (ev): -2.6092 -2.6092 -1.0247 -1.0247 1.8380 1.8380 2.0104 2.0104 4.1796 4.1796 5.5526 5.5526 5.8463 5.8463 6.6848 6.6848 7.2056 7.2056 7.2632 7.2632 7.3428 7.3428 7.9037 7.9037 7.9367 7.9367 8.0951 8.0951 8.1209 8.1209 8.2631 8.2631 8.7217 8.7217 9.7475 9.7475 10.0747 10.0747 10.8331 10.8331 11.9450 11.9450 11.9514 11.9514 13.4905 13.4905 14.8039 14.8039 k = 0.0000 0.0000 0.1653 ( 3517 PWs) bands (ev): -2.5661 -2.5661 -1.1231 -1.1231 1.8944 1.8944 2.0243 2.0243 4.2256 4.2256 5.5489 5.5489 5.8034 5.8034 6.6517 6.6517 7.2324 7.2324 7.2666 7.2666 7.3407 7.3407 7.8930 7.8930 7.9543 7.9543 8.0901 8.0901 8.1154 8.1154 8.2640 8.2640 8.7300 8.7300 9.7088 9.7088 10.1271 10.1271 10.9224 10.9224 11.8465 11.8465 11.9778 11.9778 13.3715 13.3715 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 4.2743 4.2743 5.5157 5.5157 5.7944 5.7944 6.6195 6.6195 7.2613 7.2613 7.2703 7.2703 7.3383 7.3383 7.8800 7.8800 7.9715 7.9715 8.0859 8.0859 8.1100 8.1100 8.2622 8.2622 8.7397 8.7397 9.6483 9.6483 10.1856 10.1856 11.0173 11.0173 11.7452 11.7452 12.0375 12.0375 13.2489 13.2489 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 4.3256 4.3256 5.4560 5.4560 5.8163 5.8163 6.5870 6.5870 7.2736 7.2736 7.2929 7.2929 7.3355 7.3355 7.8646 7.8646 7.9880 7.9880 8.0824 8.0824 8.1051 8.1051 8.2578 8.2578 8.7510 8.7510 9.5722 9.5722 10.2495 10.2495 11.1175 11.1175 11.6445 11.6445 12.1226 12.1226 13.1232 13.1232 14.4995 14.4995 k = 0.0000 0.0000 0.1983 ( 3524 PWs) bands (ev): -2.4194 -2.4194 -1.4050 -1.4050 2.0238 2.0238 2.0658 2.0658 4.3795 4.3795 5.3827 5.3827 5.8564 5.8564 6.5537 6.5537 7.2775 7.2775 7.3264 7.3264 7.3326 7.3326 7.8463 7.8463 8.0035 8.0035 8.0798 8.0798 8.1009 8.1009 8.2509 8.2509 8.7643 8.7643 9.4867 9.4867 10.3177 10.3177 11.2225 11.2225 11.5448 11.5448 12.2280 12.2280 12.9949 12.9949 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 5.3038 5.3038 5.9063 5.9063 6.5189 6.5189 7.2814 7.2814 7.3294 7.3294 7.3624 7.3624 7.8248 7.8248 8.0175 8.0175 8.0779 8.0779 8.0984 8.0984 8.2416 8.2416 8.7800 8.7800 9.3974 9.3974 10.3896 10.3896 11.3310 11.3310 11.4474 11.4474 12.3495 12.3495 12.8646 12.8646 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 4.4951 4.4951 5.2228 5.2228 5.9617 5.9617 6.4819 6.4819 7.2855 7.2855 7.3260 7.3260 7.4008 7.4008 7.7996 7.7996 8.0295 8.0295 8.0759 8.0759 8.0987 8.0987 8.2301 8.2301 8.7986 8.7986 9.3088 9.3088 10.4647 10.4647 11.3440 11.3440 11.4510 11.4510 12.4833 12.4833 12.7330 12.7330 14.0671 14.0671 k = 0.0000 0.0000 0.2314 ( 3538 PWs) bands (ev): -2.2469 -2.2469 -1.6658 -1.6658 2.0971 2.0971 2.1016 2.1016 4.5570 4.5570 5.1416 5.1416 6.0201 6.0201 6.4423 6.4423 7.2897 7.2897 7.3224 7.3224 7.4415 7.4415 7.7703 7.7703 8.0391 8.0391 8.0732 8.0732 8.1031 8.1031 8.2167 8.2167 8.8207 8.8207 9.2243 9.2243 10.5428 10.5428 11.2494 11.2494 11.5675 11.5675 12.5994 12.5994 12.6277 12.6277 13.9094 13.9094 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 4.6215 4.6215 5.0614 5.0614 6.0796 6.0796 6.3997 6.3997 7.2939 7.2939 7.3187 7.3187 7.4842 7.4842 7.7372 7.7372 8.0462 8.0462 8.0701 8.0701 8.1118 8.1118 8.2019 8.2019 8.8472 8.8472 9.1463 9.1463 10.6236 10.6236 11.1547 11.1547 11.6891 11.6891 12.4671 12.4671 12.7776 12.7776 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 4.6887 4.6887 4.9826 4.9826 6.1388 6.1388 6.3538 6.3538 7.2982 7.2982 7.3147 7.3147 7.5283 7.5283 7.7001 7.7001 8.0514 8.0514 8.0666 8.0666 8.1237 8.1237 8.1860 8.1860 8.8789 8.8789 9.0763 9.0763 10.7068 10.7068 11.0614 11.0614 11.8139 11.8139 12.3342 12.3342 12.9337 12.9337 13.5848 13.5848 k = 0.0000 0.0000 0.2644 ( 3532 PWs) bands (ev): -2.0492 -2.0492 -1.9038 -1.9038 2.1231 2.1231 2.1244 2.1244 4.7586 4.7586 4.9057 4.9057 6.1966 6.1966 6.3046 6.3046 7.3024 7.3024 7.3107 7.3107 7.5729 7.5729 7.6599 7.6599 8.0556 8.0556 8.0630 8.0630 8.1379 8.1379 8.1697 8.1697 8.9168 8.9168 9.0148 9.0148 10.7924 10.7924 10.9698 10.9698 11.9413 11.9413 12.2020 12.2020 13.0938 13.0938 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 4.8309 4.8309 4.8309 4.8309 6.2520 6.2520 6.2520 6.2520 7.3066 7.3066 7.3066 7.3066 7.6171 7.6171 7.6171 7.6171 8.0594 8.0594 8.0594 8.0594 8.1535 8.1535 8.1535 8.1535 8.9618 8.9618 8.9618 8.9618 10.8801 10.8801 10.8801 10.8801 12.0708 12.0708 12.0708 12.0708 13.2564 13.2564 13.2564 13.2564 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 4.8309 4.8309 4.8309 4.8309 6.2520 6.2520 6.2520 6.2520 7.3066 7.3066 7.3066 7.3066 7.6171 7.6171 7.6171 7.6171 8.0594 8.0594 8.0594 8.0594 8.1535 8.1535 8.1535 8.1535 8.9618 8.9618 8.9618 8.9618 10.8801 10.8801 10.8801 10.8801 12.0708 12.0708 12.0708 12.0708 13.2564 13.2564 13.2564 13.2564 k = 0.0109-0.0000 0.2754 ( 3540 PWs) bands (ev): -1.9765 -1.9765 -1.9764 -1.9764 2.1259 2.1259 2.1261 2.1261 4.8322 4.8322 4.8324 4.8324 6.2523 6.2523 6.2532 6.2532 7.3021 7.3021 7.3079 7.3079 7.6160 7.6160 7.6207 7.6207 8.0562 8.0562 8.0599 8.0599 8.1495 8.1495 8.1557 8.1557 8.9617 8.9617 8.9621 8.9621 10.8577 10.8577 10.8713 10.8713 12.0777 12.0777 12.0828 12.0828 13.2567 13.2567 13.2574 13.2574 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 4.8363 4.8363 4.8365 4.8365 6.2540 6.2540 6.2559 6.2559 7.2946 7.2946 7.3061 7.3061 7.6173 7.6173 7.6264 7.6264 8.0504 8.0504 8.0580 8.0580 8.1438 8.1438 8.1562 8.1562 8.9619 8.9619 8.9626 8.9626 10.8066 10.8066 10.8325 10.8325 12.1024 12.1024 12.1113 12.1113 13.2584 13.2584 13.2594 13.2594 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 4.8430 4.8430 4.8434 4.8434 6.2572 6.2572 6.2600 6.2600 7.2847 7.2847 7.3013 7.3013 7.6210 7.6210 7.6339 7.6339 8.0417 8.0417 8.0536 8.0536 8.1363 8.1363 8.1553 8.1553 8.9623 8.9623 8.9634 8.9634 10.7320 10.7320 10.7682 10.7682 12.1414 12.1414 12.1520 12.1520 13.2613 13.2613 13.2623 13.2623 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 4.8530 4.8530 6.2618 6.2618 6.2655 6.2655 7.2726 7.2726 7.2937 7.2937 7.6266 7.6266 7.6424 7.6424 8.0298 8.0298 8.0466 8.0466 8.1272 8.1272 8.1530 8.1530 8.9629 8.9629 8.9644 8.9644 10.6397 10.6397 10.6841 10.6841 12.1899 12.1899 12.2000 12.2000 13.2656 13.2656 13.2657 13.2657 k = 0.0543-0.0000 0.2754 ( 3540 PWs) bands (ev): -1.9430 -1.9430 -1.9428 -1.9428 2.1399 2.1399 2.1410 2.1410 4.8648 4.8648 4.8653 4.8653 6.2677 6.2677 6.2724 6.2724 7.2587 7.2587 7.2839 7.2839 7.6335 7.6335 7.6513 7.6513 8.0145 8.0145 8.0366 8.0366 8.1168 8.1168 8.1496 8.1496 8.9637 8.9637 8.9655 8.9655 10.5350 10.5350 10.5860 10.5860 12.2437 12.2437 12.2515 12.2515 13.2693 13.2693 13.2709 13.2709 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 4.8797 4.8797 4.8803 4.8803 6.2747 6.2747 6.2804 6.2804 7.2436 7.2436 7.2724 7.2724 7.6410 7.6410 7.6599 7.6599 7.9955 7.9955 8.0235 8.0235 8.1056 8.1056 8.1451 8.1451 8.9648 8.9648 8.9669 8.9669 10.4225 10.4225 10.4787 10.4787 12.2997 12.2997 12.3037 12.3037 13.2724 13.2724 13.2771 13.2771 k = 0.0761-0.0000 0.2754 ( 3534 PWs) bands (ev): -1.9096 -1.9096 -1.9093 -1.9093 2.1537 2.1537 2.1553 2.1553 4.8974 4.8974 4.8979 4.8979 6.2828 6.2828 6.2896 6.2896 7.2273 7.2273 7.2593 7.2593 7.6482 7.6482 7.6671 7.6671 7.9726 7.9726 8.0068 8.0068 8.0942 8.0942 8.1399 8.1399 8.9661 8.9661 8.9684 8.9684 10.3059 10.3059 10.3662 10.3662 12.3550 12.3550 12.3559 12.3559 13.2746 13.2746 13.2838 13.2838 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 4.9177 4.9177 4.9182 4.9182 6.2917 6.2917 6.2996 6.2996 7.2102 7.2102 7.2451 7.2451 7.6539 7.6539 7.6716 7.6716 7.9462 7.9462 7.9869 7.9869 8.0830 8.0830 8.1341 8.1341 8.9675 8.9675 8.9700 8.9700 10.1882 10.1882 10.2518 10.2518 12.4042 12.4042 12.4110 12.4110 13.2750 13.2750 13.2908 13.2908 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 4.9406 4.9406 4.9410 4.9410 6.3012 6.3012 6.3104 6.3104 7.1923 7.1923 7.2300 7.2300 7.6566 7.6566 7.6717 7.6717 7.9170 7.9170 7.9648 7.9648 8.0724 8.0724 8.1279 8.1279 8.9691 8.9691 8.9718 8.9718 10.0718 10.0718 10.1382 10.1382 12.4507 12.4507 12.4643 12.4643 13.2729 13.2729 13.2975 13.2975 k = 0.1087-0.0000 0.2754 ( 3528 PWs) bands (ev): -1.8387 -1.8387 -1.8384 -1.8384 2.1817 2.1817 2.1842 2.1842 4.9662 4.9662 4.9663 4.9663 6.3110 6.3110 6.3216 6.3216 7.1739 7.1739 7.2144 7.2144 7.6538 7.6538 7.6653 7.6653 7.8872 7.8872 7.9426 7.9426 8.0624 8.0624 8.1215 8.1215 8.9709 8.9709 8.9737 8.9737 9.9590 9.9590 10.0274 10.0274 12.4940 12.4940 12.5154 12.5154 13.2669 13.2669 13.3035 13.3035 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 4.9941 4.9941 4.9944 4.9944 6.3207 6.3207 6.3327 6.3327 7.1549 7.1549 7.1980 7.1980 7.6418 7.6418 7.6496 7.6496 7.8599 7.8599 7.9226 7.9226 8.0530 8.0530 8.1149 8.1149 8.9728 8.9728 8.9756 8.9756 9.8513 9.8513 9.9212 9.9212 12.5336 12.5336 12.5643 12.5643 13.2554 13.2554 13.3080 13.3080 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 5.0243 5.0243 5.0251 5.0251 6.3297 6.3297 6.3433 6.3433 7.1354 7.1354 7.1811 7.1811 7.6169 7.6169 7.6230 7.6230 7.8391 7.8391 7.9073 7.9073 8.0444 8.0444 8.1084 8.1084 8.9748 8.9748 8.9775 8.9775 9.7502 9.7502 9.8209 9.8209 12.5689 12.5689 12.6106 12.6106 13.2361 13.2361 13.3099 13.3099 k = 0.1413-0.0000 0.2754 ( 3528 PWs) bands (ev): -1.7435 -1.7435 -1.7430 -1.7430 2.2163 2.2163 2.2199 2.2199 5.0567 5.0567 5.0582 5.0582 6.3374 6.3374 6.3527 6.3527 7.1150 7.1150 7.1633 7.1633 7.5780 7.5780 7.5853 7.5853 7.8267 7.8267 7.8973 7.8973 8.0366 8.0366 8.1020 8.1020 8.9768 8.9768 8.9793 8.9793 9.6565 9.6565 9.7273 9.7273 12.5984 12.5984 12.6541 12.6541 13.2062 13.2062 13.3069 13.3069 k = 0.1522-0.0000 0.2754 ( 3528 PWs) bands (ev): -1.7063 -1.7063 -1.7059 -1.7059 2.2288 2.2288 2.2327 2.2327 5.0914 5.0914 5.0939 5.0939 6.3428 6.3428 6.3600 6.3600 7.0937 7.0937 7.1443 7.1443 7.5280 7.5280 7.5389 7.5389 7.8213 7.8213 7.8917 7.8917 8.0297 8.0297 8.0959 8.0959 8.9787 8.9787 8.9810 8.9810 9.5707 9.5707 9.6411 9.6411 12.6198 12.6198 12.6941 12.6941 13.1630 13.1630 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 5.1280 5.1280 5.1319 5.1319 6.3448 6.3448 6.3639 6.3639 7.0710 7.0710 7.1233 7.1233 7.4718 7.4718 7.4873 7.4873 7.8203 7.8203 7.8889 7.8889 8.0240 8.0240 8.0902 8.0902 8.9806 8.9806 8.9823 8.9823 9.4930 9.4930 9.5624 9.5624 12.6285 12.6285 12.7289 12.7289 13.1067 13.1067 13.2498 13.2498 k = 0.1739-0.0000 0.2754 ( 3540 PWs) bands (ev): -1.6242 -1.6242 -1.6237 -1.6237 2.2541 2.2541 2.2590 2.2590 5.1665 5.1665 5.1721 5.1721 6.3419 6.3419 6.3627 6.3627 7.0467 7.0467 7.0994 7.0994 7.4151 7.4151 7.4346 7.4346 7.8215 7.8215 7.8873 7.8873 8.0197 8.0197 8.0848 8.0848 8.9822 8.9822 8.9832 8.9832 9.4234 9.4234 9.4910 9.4910 12.6162 12.6162 12.7545 12.7545 13.0443 13.0443 13.1506 13.1506 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 5.2065 5.2065 5.2146 5.2146 6.3322 6.3322 6.3543 6.3543 7.0208 7.0208 7.0718 7.0718 7.3630 7.3630 7.3848 7.3848 7.8237 7.8237 7.8857 7.8857 8.0168 8.0168 8.0799 8.0799 8.9834 8.9834 8.9835 8.9835 9.3614 9.3614 9.4266 9.4266 12.5721 12.5721 12.7580 12.7580 12.9891 12.9891 13.0262 13.0262 k = 0.1957-0.0000 0.2754 ( 3544 PWs) bands (ev): -1.5319 -1.5319 -1.5313 -1.5313 2.2787 2.2787 2.2846 2.2846 5.2478 5.2478 5.2591 5.2591 6.3139 6.3139 6.3362 6.3362 6.9940 6.9940 7.0409 7.0409 7.3199 7.3199 7.3413 7.3413 7.8260 7.8260 7.8835 7.8835 8.0155 8.0155 8.0755 8.0755 8.9827 8.9827 8.9845 8.9845 9.3066 9.3066 9.3687 9.3687 12.4909 12.4909 12.7027 12.7027 12.9413 12.9413 12.9510 12.9510 k = 0.2065-0.0000 0.2754 ( 3540 PWs) bands (ev): -1.4819 -1.4819 -1.4813 -1.4813 2.2902 2.2902 2.2967 2.2967 5.2896 5.2896 5.3054 5.3054 6.2854 6.2854 6.3059 6.3059 6.9678 6.9678 7.0089 7.0089 7.2878 7.2878 7.3062 7.3062 7.8280 7.8280 7.8801 7.8801 8.0154 8.0154 8.0715 8.0715 8.9808 8.9808 8.9849 8.9849 9.2584 9.2584 9.3166 9.3166 12.3793 12.3793 12.5769 12.5769 12.9159 12.9159 12.9268 12.9268 k = 0.2174-0.0000 0.2754 ( 3536 PWs) bands (ev): -1.4295 -1.4295 -1.4289 -1.4289 2.3007 2.3007 2.3078 2.3078 5.3314 5.3314 5.3534 5.3534 6.2460 6.2460 6.2615 6.2615 6.9442 6.9442 6.9794 6.9794 7.2664 7.2664 7.2803 7.2803 7.8293 7.8293 7.8757 7.8757 8.0163 8.0163 8.0678 8.0678 8.9772 8.9772 8.9845 8.9845 9.2165 9.2165 9.2698 9.2698 12.2490 12.2490 12.4233 12.4233 12.9071 12.9071 12.9085 12.9085 k = 0.2283-0.0000 0.2754 ( 3530 PWs) bands (ev): -1.3747 -1.3747 -1.3741 -1.3741 2.3100 2.3100 2.3178 2.3178 5.3717 5.3717 5.4026 5.4026 6.1969 6.1969 6.2032 6.2032 6.9248 6.9248 6.9558 6.9558 7.2541 7.2541 7.2633 7.2633 7.8299 7.8299 7.8702 7.8702 8.0178 8.0178 8.0644 8.0644 8.9713 8.9713 8.9832 8.9832 9.1806 9.1806 9.2276 9.2276 12.1087 12.1087 12.2629 12.2629 12.8843 12.8843 12.8973 12.8973 k = 0.2391-0.0000 0.2754 ( 3532 PWs) bands (ev): -1.3176 -1.3176 -1.3170 -1.3170 2.3177 2.3177 2.3262 2.3262 5.4087 5.4087 5.4524 5.4524 6.1329 6.1329 6.1412 6.1412 6.9106 6.9106 6.9395 6.9395 7.2492 7.2492 7.2544 7.2544 7.8296 7.8296 7.8638 7.8638 8.0194 8.0194 8.0610 8.0610 8.9624 8.9624 8.9805 8.9805 9.1505 9.1505 9.1897 9.1897 11.9638 11.9638 12.1020 12.1020 12.8540 12.8540 12.8756 12.8756 k = 0.2500-0.0000 0.2754 ( 3536 PWs) bands (ev): -1.2582 -1.2582 -1.2575 -1.2575 2.3236 2.3236 2.3328 2.3328 5.4391 5.4391 5.5015 5.5015 6.0545 6.0545 6.0846 6.0846 6.9011 6.9011 6.9302 6.9302 7.2505 7.2505 7.2526 7.2526 7.8287 7.8287 7.8569 7.8569 8.0208 8.0208 8.0575 8.0575 8.9501 8.9501 8.9760 8.9760 9.1261 9.1261 9.1559 9.1559 11.8176 11.8176 11.9431 11.9431 12.8140 12.8140 12.8419 12.8419 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 5.4580 5.4580 5.5471 5.5471 5.9739 5.9739 6.0344 6.0344 6.8956 6.8956 6.9266 6.9266 7.2569 7.2569 7.2570 7.2570 7.8270 7.8270 7.8496 7.8496 8.0216 8.0216 8.0537 8.0537 8.9341 8.9341 8.9691 8.9691 9.1068 9.1068 9.1260 9.1260 11.6720 11.6720 11.7874 11.7874 12.7642 12.7642 12.7968 12.7968 k = 0.2717-0.0000 0.2754 ( 3542 PWs) bands (ev): -1.1330 -1.1330 -1.1323 -1.1323 2.3279 2.3279 2.3387 2.3387 5.4591 5.4591 5.5821 5.5821 5.9010 5.9010 5.9996 5.9996 6.8931 6.8931 6.9274 6.9274 7.2666 7.2666 7.2680 7.2680 7.8247 7.8247 7.8420 7.8420 8.0216 8.0216 8.0495 8.0495 8.9145 8.9145 8.9589 8.9589 9.0920 9.0920 9.1005 9.1005 11.5285 11.5285 11.6356 11.6356 12.7052 12.7052 12.7416 12.7416 k = 0.2826-0.0000 0.2754 ( 3542 PWs) bands (ev): -1.0673 -1.0673 -1.0666 -1.0666 2.3257 2.3257 2.3372 2.3372 5.4378 5.4378 5.5897 5.5897 5.8552 5.8552 5.9870 5.9870 6.8930 6.8930 6.9314 6.9314 7.2809 7.2809 7.2829 7.2829 7.8220 7.8220 7.8344 7.8344 8.0206 8.0206 8.0448 8.0448 8.8920 8.8920 8.9446 8.9446 9.0795 9.0795 9.0806 9.0806 11.3882 11.3882 11.4884 11.4884 12.6386 12.6386 12.6784 12.6784 k = 0.2935-0.0000 0.2754 ( 3550 PWs) bands (ev): -0.9998 -0.9998 -0.9990 -0.9990 2.3199 2.3199 2.3322 2.3322 5.3948 5.3948 5.5532 5.5532 5.8552 5.8552 5.9978 5.9978 6.8945 6.8945 6.9376 6.9376 7.2990 7.2990 7.3009 7.3009 7.8187 7.8187 7.8267 7.8267 8.0182 8.0182 8.0393 8.0393 8.8671 8.8671 8.9261 8.9261 9.0630 9.0630 9.0716 9.0716 11.2518 11.2518 11.3461 11.3461 12.5660 12.5660 12.6089 12.6089 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 5.3361 5.3361 5.4850 5.4850 5.8899 5.8899 6.0274 6.0274 6.8974 6.8974 6.9456 6.9456 7.3201 7.3201 7.3215 7.3215 7.8152 7.8152 7.8192 7.8192 8.0144 8.0144 8.0330 8.0330 8.8405 8.8405 8.9034 8.9034 9.0503 9.0503 9.0640 9.0640 11.1200 11.1200 11.2093 11.2093 12.4889 12.4889 12.5348 12.5348 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 5.2687 5.2687 5.4053 5.4053 5.9407 5.9407 6.0702 6.0702 6.9016 6.9016 6.9552 6.9552 7.3436 7.3436 7.3441 7.3441 7.8113 7.8113 7.8119 7.8119 8.0091 8.0091 8.0259 8.0259 8.8124 8.8124 8.8775 8.8775 9.0404 9.0404 9.0572 9.0572 10.9933 10.9933 11.0783 11.0783 12.4090 12.4090 12.4578 12.4578 k = 0.3261-0.0000 0.2754 ( 3546 PWs) bands (ev): -0.7873 -0.7873 -0.7865 -0.7865 2.2779 2.2779 2.2924 2.2924 5.1979 5.1979 5.3238 5.3238 5.9986 5.9986 6.1218 6.1218 6.9068 6.9068 6.9659 6.9659 7.3679 7.3679 7.3688 7.3688 7.8047 7.8047 7.8071 7.8071 8.0023 8.0023 8.0181 8.0181 8.7831 8.7831 8.8489 8.8489 9.0325 9.0325 9.0509 9.0509 10.8722 10.8722 10.9534 10.9534 12.3276 12.3276 12.3793 12.3793 k = 0.3370-0.0000 0.2754 ( 3542 PWs) bands (ev): -0.7139 -0.7139 -0.7130 -0.7130 2.2547 2.2547 2.2699 2.2699 5.1274 5.1274 5.2446 5.2446 6.0602 6.0602 6.1791 6.1791 6.9132 6.9132 6.9779 6.9779 7.3923 7.3923 7.3948 7.3948 7.7979 7.7979 7.8023 7.8023 7.9939 7.9939 8.0096 8.0096 8.7530 8.7530 8.8181 8.8181 9.0258 9.0258 9.0447 9.0447 10.7571 10.7571 10.8349 10.8349 12.2461 12.2461 12.3005 12.3005 k = 0.3478-0.0000 0.2754 ( 3538 PWs) bands (ev): -0.6394 -0.6394 -0.6386 -0.6386 2.2266 2.2266 2.2423 2.2423 5.0596 5.0596 5.1697 5.1697 6.1239 6.1239 6.2402 6.2402 6.9208 6.9208 6.9909 6.9909 7.4166 7.4166 7.4211 7.4211 7.7913 7.7913 7.7969 7.7969 7.9840 7.9840 8.0008 8.0008 8.7220 8.7220 8.7856 8.7856 9.0199 9.0199 9.0383 9.0383 10.6482 10.6482 10.7232 10.7232 12.1655 12.1655 12.2226 12.2226 k = 0.3587-0.0000 0.2754 ( 3536 PWs) bands (ev): -0.5644 -0.5644 -0.5636 -0.5636 2.1937 2.1937 2.2099 2.2099 4.9959 4.9959 5.1004 5.1004 6.1887 6.1887 6.3039 6.3039 6.9295 6.9295 7.0048 7.0048 7.4403 7.4403 7.4470 7.4470 7.7847 7.7847 7.7906 7.7906 7.9728 7.9728 7.9920 7.9920 8.6905 8.6905 8.7517 8.7517 9.0145 9.0145 9.0318 9.0318 10.5460 10.5460 10.6184 10.6184 12.0869 12.0869 12.1465 12.1465 k = 0.3696-0.0000 0.2754 ( 3532 PWs) bands (ev): -0.4890 -0.4890 -0.4883 -0.4883 2.1562 2.1562 2.1728 2.1728 4.9373 4.9373 5.0372 5.0372 6.2541 6.2541 6.3690 6.3690 6.9394 6.9394 7.0195 7.0195 7.4627 7.4627 7.4718 7.4718 7.7783 7.7783 7.7831 7.7831 7.9605 7.9605 7.9835 7.9835 8.6588 8.6588 8.7167 8.7167 9.0096 9.0096 9.0250 9.0250 10.4507 10.4507 10.5209 10.5209 12.0112 12.0112 12.0733 12.0733 k = 0.3804-0.0000 0.2754 ( 3532 PWs) bands (ev): -0.4139 -0.4139 -0.4131 -0.4131 2.1144 2.1144 2.1313 2.1313 4.8844 4.8844 4.9804 4.9804 6.3196 6.3196 6.4347 6.4347 6.9505 6.9505 7.0345 7.0345 7.4836 7.4836 7.4948 7.4948 7.7718 7.7718 7.7742 7.7742 7.9475 7.9475 7.9756 7.9756 8.6273 8.6273 8.6810 8.6810 9.0050 9.0050 9.0180 9.0180 10.3624 10.3624 10.4307 10.4307 11.9392 11.9392 12.0035 12.0035 k = 0.3913-0.0000 0.2754 ( 3534 PWs) bands (ev): -0.3394 -0.3394 -0.3387 -0.3387 2.0690 2.0690 2.0861 2.0861 4.8374 4.8374 4.9301 4.9301 6.3846 6.3846 6.5002 6.5002 6.9628 6.9628 7.0494 7.0494 7.5027 7.5027 7.5157 7.5157 7.7638 7.7638 7.7649 7.7649 7.9342 7.9342 7.9686 7.9686 8.5963 8.5963 8.6449 8.6449 9.0008 9.0008 9.0108 9.0108 10.2815 10.2815 10.3481 10.3481 11.8715 11.8715 11.9380 11.9380 k = 0.4022-0.0000 0.2754 ( 3534 PWs) bands (ev): -0.2662 -0.2662 -0.2656 -0.2656 2.0208 2.0208 2.0381 2.0381 4.7963 4.7963 4.8862 4.8862 6.4489 6.4489 6.5647 6.5647 6.9761 6.9761 7.0636 7.0636 7.5199 7.5199 7.5340 7.5340 7.7520 7.7520 7.7572 7.7572 7.9211 7.9211 7.9621 7.9621 8.5665 8.5665 8.6091 8.6091 8.9969 8.9969 9.0035 9.0035 10.2079 10.2079 10.2731 10.2731 11.8088 11.8088 11.8773 11.8773 k = 0.4130-0.0000 0.2754 ( 3530 PWs) bands (ev): -0.1952 -0.1952 -0.1946 -0.1946 1.9708 1.9708 1.9882 1.9882 4.7610 4.7610 4.8484 4.8484 6.5119 6.5119 6.6272 6.6272 6.9904 6.9904 7.0761 7.0761 7.5354 7.5354 7.5494 7.5494 7.7394 7.7394 7.7485 7.7485 7.9087 7.9087 7.9559 7.9559 8.5386 8.5386 8.5743 8.5743 8.9934 8.9934 8.9962 8.9962 10.1418 10.1418 10.2059 10.2059 11.7515 11.7515 11.8218 11.8218 k = 0.4239-0.0000 0.2754 ( 3530 PWs) bands (ev): -0.1272 -0.1272 -0.1268 -0.1268 1.9202 1.9202 1.9377 1.9377 4.7310 4.7310 4.8164 4.8164 6.5733 6.5733 6.6868 6.6868 7.0055 7.0055 7.0858 7.0858 7.5496 7.5496 7.5618 7.5618 7.7264 7.7264 7.7383 7.7383 7.8975 7.8975 7.9491 7.9491 8.5132 8.5132 8.5412 8.5412 8.9891 8.9891 8.9904 8.9904 10.0834 10.0834 10.1464 10.1464 11.7000 11.7000 11.7721 11.7721 k = 0.4348-0.0000 0.2754 ( 3536 PWs) bands (ev): -0.0634 -0.0634 -0.0631 -0.0631 1.8706 1.8706 1.8881 1.8881 4.7062 4.7062 4.7898 4.7898 6.6324 6.6324 6.7421 6.7421 7.0212 7.0212 7.0916 7.0916 7.5631 7.5631 7.5716 7.5716 7.7138 7.7138 7.7267 7.7267 7.8876 7.8876 7.9412 7.9412 8.4909 8.4909 8.5106 8.5106 8.9823 8.9823 8.9877 8.9877 10.0325 10.0325 10.0947 10.0947 11.6548 11.6548 11.7283 11.7283 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 4.6860 4.6860 4.7682 4.7682 6.6887 6.6887 6.7920 6.7920 7.0370 7.0370 7.0925 7.0925 7.5767 7.5767 7.5791 7.5791 7.7022 7.7022 7.7138 7.7138 7.8791 7.8791 7.9319 7.9319 8.4723 8.4723 8.4834 8.4834 8.9760 8.9760 8.9855 8.9855 9.9895 9.9895 10.0509 10.0509 11.6162 11.6162 11.6909 11.6909 k = 0.4565-0.0000 0.2754 ( 3534 PWs) bands (ev): 0.0460 0.0460 0.0460 0.0460 1.7812 1.7812 1.7988 1.7988 4.6702 4.6702 4.7511 4.7511 6.7414 6.7414 6.8349 6.8349 7.0525 7.0525 7.0879 7.0879 7.5848 7.5848 7.5907 7.5907 7.6917 7.6917 7.7003 7.7003 7.8719 7.8719 7.9211 7.9211 8.4575 8.4575 8.4602 8.4602 8.9704 8.9704 8.9838 8.9838 9.9542 9.9542 10.0151 10.0151 11.5842 11.5842 11.6600 11.6600 k = 0.4674-0.0000 0.2754 ( 3538 PWs) bands (ev): 0.0883 0.0883 0.0883 0.0883 1.7453 1.7453 1.7629 1.7629 4.6582 4.6582 4.7382 4.7382 6.7891 6.7891 6.8695 6.8695 7.0667 7.0667 7.0780 7.0780 7.5895 7.5895 7.6053 7.6053 7.6823 7.6823 7.6869 7.6869 7.8661 7.8661 7.9098 7.9098 8.4417 8.4417 8.4465 8.4465 8.9658 8.9658 8.9824 8.9824 9.9266 9.9266 9.9871 9.9871 11.5592 11.5592 11.6358 11.6358 k = 0.4783-0.0000 0.2754 ( 3526 PWs) bands (ev): 0.1200 0.1200 0.1202 0.1202 1.7179 1.7179 1.7355 1.7355 4.6499 4.6499 4.7293 4.7293 6.8295 6.8295 6.8948 6.8948 7.0647 7.0647 7.0785 7.0785 7.5936 7.5936 7.6197 7.6197 7.6735 7.6735 7.6750 7.6750 7.8617 7.8617 7.8995 7.8995 8.4284 8.4284 8.4391 8.4391 8.9623 8.9623 8.9815 8.9815 9.9070 9.9070 9.9671 9.9671 11.5413 11.5413 11.6185 11.6185 k = 0.4891-0.0000 0.2754 ( 3522 PWs) bands (ev): 0.1397 0.1397 0.1400 0.1400 1.7006 1.7006 1.7183 1.7183 4.6451 4.6451 4.7240 4.7240 6.8584 6.8584 6.9102 6.9102 7.0521 7.0521 7.0863 7.0863 7.5967 7.5967 7.6325 7.6325 7.6653 7.6653 7.6664 7.6664 7.8590 7.8590 7.8922 7.8922 8.4203 8.4203 8.4349 8.4349 8.9602 8.9602 8.9809 8.9809 9.8951 9.8951 9.9551 9.9551 11.5305 11.5305 11.6080 11.6080 k = 0.5000-0.0000 0.2754 ( 3528 PWs) bands (ev): 0.1464 0.1464 0.1467 0.1467 1.6948 1.6948 1.7124 1.7124 4.6434 4.6434 4.7223 4.7223 6.8693 6.8693 6.9153 6.9153 7.0465 7.0465 7.0891 7.0891 7.5980 7.5980 7.6389 7.6389 7.6606 7.6606 7.6632 7.6632 7.8580 7.8580 7.8894 7.8894 8.4175 8.4175 8.4333 8.4333 8.9595 8.9595 8.9807 8.9807 9.8912 9.8912 9.9511 9.9511 11.5269 11.5269 11.6045 11.6045 k = 0.5000-0.0000 0.2754 ( 3528 PWs) bands (ev): 0.1464 0.1464 0.1467 0.1467 1.6948 1.6948 1.7124 1.7124 4.6434 4.6434 4.7223 4.7223 6.8693 6.8693 6.9153 6.9153 7.0465 7.0465 7.0891 7.0891 7.5980 7.5980 7.6389 7.6389 7.6606 7.6606 7.6632 7.6632 7.8580 7.8580 7.8894 7.8894 8.4175 8.4175 8.4333 8.4333 8.9595 8.9595 8.9807 8.9807 9.8912 9.8912 9.9511 9.9511 11.5269 11.5269 11.6045 11.6045 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 4.6398 4.6398 4.7182 4.7182 6.8646 6.8646 6.9083 6.9083 7.0495 7.0495 7.0909 7.0909 7.5738 7.5738 7.5877 7.5877 7.6881 7.6881 7.7096 7.7096 7.8593 7.8593 7.8909 7.8909 8.4176 8.4176 8.4334 8.4334 8.9600 8.9600 8.9819 8.9819 9.8965 9.8965 9.9558 9.9558 11.5344 11.5344 11.6121 11.6121 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 4.6290 4.6290 4.7063 4.7063 6.8503 6.8503 6.8878 6.8878 7.0579 7.0579 7.0956 7.0956 7.5267 7.5267 7.5347 7.5347 7.7298 7.7298 7.7640 7.7640 7.8631 7.8631 7.8953 7.8953 8.4180 8.4180 8.4334 8.4334 8.9619 8.9619 8.9857 8.9857 9.9125 9.9125 9.9700 9.9700 11.5570 11.5570 11.6348 11.6348 k = 0.5000 0.0325 0.2754 ( 3524 PWs) bands (ev): 0.1556 0.1556 0.1560 0.1560 1.6977 1.6977 1.7154 1.7154 4.6114 4.6114 4.6868 4.6868 6.8263 6.8263 6.8543 6.8543 7.0709 7.0709 7.1020 7.1020 7.4673 7.4673 7.4973 7.4973 7.7712 7.7712 7.8121 7.8121 7.8700 7.8700 7.9039 7.9039 8.4187 8.4187 8.4335 8.4335 8.9653 8.9653 8.9923 8.9923 9.9387 9.9387 9.9934 9.9934 11.5941 11.5941 11.6723 11.6723 k = 0.5000 0.0433 0.2754 ( 3528 PWs) bands (ev): 0.1628 0.1628 0.1632 0.1632 1.6999 1.6999 1.7176 1.7176 4.5875 4.5875 4.6604 4.6604 6.7920 6.7920 6.8087 6.8087 7.0875 7.0875 7.1088 7.1088 7.4118 7.4118 7.4653 7.4653 7.8076 7.8076 7.8500 7.8500 7.8817 7.8817 7.9198 7.9198 8.4195 8.4195 8.4336 8.4336 8.9708 8.9708 9.0019 9.0019 9.9749 9.9749 10.0259 10.0259 11.6453 11.6453 11.7239 11.7239 k = 0.5000 0.0542 0.2754 ( 3524 PWs) bands (ev): 0.1720 0.1720 0.1723 0.1723 1.7026 1.7026 1.7202 1.7202 4.5581 4.5581 4.6280 4.6280 6.7467 6.7467 6.7518 6.7518 7.1066 7.1066 7.1154 7.1154 7.3622 7.3622 7.4400 7.4400 7.8350 7.8350 7.8746 7.8746 7.9005 7.9005 7.9454 7.9454 8.4206 8.4206 8.4337 8.4337 8.9792 8.9792 9.0151 9.0151 10.0206 10.0206 10.0672 10.0672 11.7096 11.7096 11.7889 11.7889 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 4.5238 4.5238 4.5904 4.5904 6.6846 6.6846 6.6901 6.6901 7.1212 7.1212 7.1275 7.1275 7.3200 7.3200 7.4215 7.4215 7.8529 7.8529 7.8898 7.8898 7.9263 7.9263 7.9762 7.9762 8.4218 8.4218 8.4337 8.4337 8.9909 8.9909 9.0321 9.0321 10.0752 10.0752 10.1168 10.1168 11.7861 11.7861 11.8664 11.8664 k = 0.5000 0.0758 0.2754 ( 3520 PWs) bands (ev): 0.1963 0.1963 0.1967 0.1967 1.7089 1.7089 1.7264 1.7264 4.4857 4.4857 4.5488 4.5488 6.6084 6.6084 6.6226 6.6226 7.1262 7.1262 7.1493 7.1493 7.2856 7.2856 7.4091 7.4091 7.8649 7.8649 7.9011 7.9011 7.9548 7.9548 8.0064 8.0064 8.4231 8.4231 8.4337 8.4337 9.0066 9.0066 9.0534 9.0534 10.1382 10.1382 10.1743 10.1743 11.8736 11.8736 11.9552 11.9552 k = 0.5000 0.0866 0.2754 ( 3516 PWs) bands (ev): 0.2113 0.2113 0.2118 0.2118 1.7122 1.7122 1.7296 1.7296 4.4446 4.4446 4.5041 4.5041 6.5249 6.5249 6.5453 6.5453 7.1303 7.1303 7.1712 7.1712 7.2586 7.2586 7.4018 7.4018 7.8741 7.8741 7.9107 7.9107 7.9824 7.9824 8.0336 8.0336 8.4244 8.4244 8.4338 8.4338 9.0269 9.0269 9.0792 9.0792 10.2089 10.2089 10.2394 10.2394 11.9706 11.9706 12.0542 12.0542 k = 0.5000 0.0975 0.2754 ( 3520 PWs) bands (ev): 0.2283 0.2283 0.2288 0.2288 1.7154 1.7154 1.7326 1.7326 4.4015 4.4015 4.4573 4.4573 6.4354 6.4354 6.4600 6.4600 7.1337 7.1337 7.1920 7.1920 7.2386 7.2386 7.3984 7.3984 7.8816 7.8816 7.9194 7.9194 8.0079 8.0079 8.0570 8.0570 8.4258 8.4258 8.4337 8.4337 9.0520 9.0520 9.1097 9.1097 10.2867 10.2867 10.3117 10.3117 12.0757 12.0757 12.1618 12.1618 k = 0.5000 0.1083 0.2754 ( 3532 PWs) bands (ev): 0.2471 0.2471 0.2477 0.2477 1.7182 1.7182 1.7353 1.7353 4.3575 4.3575 4.4097 4.4097 6.3413 6.3413 6.3684 6.3684 7.1365 7.1365 7.2060 7.2060 7.2299 7.2299 7.3979 7.3979 7.8878 7.8878 7.9273 7.9273 8.0306 8.0306 8.0765 8.0765 8.4271 8.4271 8.4336 8.4336 9.0822 9.0822 9.1448 9.1448 10.3711 10.3711 10.3905 10.3905 12.1868 12.1868 12.2766 12.2766 k = 0.5000 0.1191 0.2754 ( 3528 PWs) bands (ev): 0.2677 0.2677 0.2683 0.2683 1.7205 1.7205 1.7373 1.7373 4.3134 4.3134 4.3620 4.3620 6.2437 6.2437 6.2720 6.2720 7.1389 7.1389 7.2020 7.2020 7.2422 7.2422 7.3994 7.3994 7.8932 7.8932 7.9344 7.9344 8.0504 8.0504 8.0925 8.0925 8.4284 8.4284 8.4335 8.4335 9.1174 9.1174 9.1843 9.1843 10.4614 10.4614 10.4755 10.4755 12.3018 12.3018 12.3964 12.3964 k = 0.5000 0.1300 0.2754 ( 3532 PWs) bands (ev): 0.2900 0.2900 0.2907 0.2907 1.7219 1.7219 1.7385 1.7385 4.2701 4.2701 4.3154 4.3154 6.1437 6.1437 6.1723 6.1723 7.1409 7.1409 7.1938 7.1938 7.2604 7.2604 7.4021 7.4021 7.8976 7.8976 7.9407 7.9407 8.0675 8.0675 8.1051 8.1051 8.4296 8.4296 8.4335 8.4335 9.1576 9.1576 9.2282 9.2282 10.5570 10.5570 10.5660 10.5660 12.4178 12.4178 12.5189 12.5189 k = 0.5000 0.1408 0.2754 ( 3532 PWs) bands (ev): 0.3139 0.3139 0.3147 0.3147 1.7222 1.7222 1.7385 1.7385 4.2287 4.2287 4.2705 4.2705 6.0420 6.0420 6.0702 6.0702 7.1427 7.1427 7.1868 7.1868 7.2786 7.2786 7.4057 7.4057 7.9013 7.9013 7.9460 7.9460 8.0819 8.0819 8.1149 8.1149 8.4306 8.4306 8.4333 8.4333 9.2022 9.2022 9.2758 9.2758 10.6573 10.6573 10.6613 10.6613 12.5307 12.5307 12.6402 12.6402 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 4.1897 4.1897 4.2284 4.2284 5.9394 5.9394 5.9668 5.9668 7.1444 7.1444 7.1812 7.1812 7.2957 7.2957 7.4096 7.4096 7.9044 7.9044 7.9504 7.9504 8.0939 8.0939 8.1222 8.1222 8.4315 8.4315 8.4332 8.4332 9.2511 9.2511 9.3269 9.3269 10.7608 10.7608 10.7616 10.7616 12.6350 12.6350 12.7549 12.7549 k = 0.5000 0.1625 0.2754 ( 3544 PWs) bands (ev): 0.3663 0.3663 0.3672 0.3672 1.7185 1.7185 1.7340 1.7340 4.1542 4.1542 4.1898 4.1898 5.8364 5.8364 5.8628 5.8628 7.1460 7.1460 7.1769 7.1769 7.3116 7.3116 7.4136 7.4136 7.9071 7.9071 7.9541 7.9541 8.1036 8.1036 8.1274 8.1274 8.4322 8.4322 8.4330 8.4330 9.3036 9.3036 9.3810 9.3810 10.8638 10.8638 10.8691 10.8691 12.7226 12.7226 12.8529 12.8529 k = 0.5000 0.1733 0.2754 ( 3544 PWs) bands (ev): 0.3946 0.3946 0.3955 0.3955 1.7141 1.7141 1.7290 1.7290 4.1227 4.1227 4.1553 4.1553 5.7337 5.7337 5.7588 5.7588 7.1476 7.1476 7.1736 7.1736 7.3263 7.3263 7.4176 7.4176 7.9094 7.9094 7.9569 7.9569 8.1113 8.1113 8.1308 8.1308 8.4328 8.4328 8.4329 8.4329 9.3593 9.3593 9.4374 9.4374 10.9693 10.9693 10.9791 10.9791 12.7840 12.7840 12.9176 12.9176 k = 0.5000 0.1841 0.2754 ( 3544 PWs) bands (ev): 0.4240 0.4240 0.4250 0.4250 1.7076 1.7076 1.7219 1.7219 4.0958 4.0958 4.1255 4.1255 5.6317 5.6317 5.6554 5.6554 7.1491 7.1491 7.1710 7.1710 7.3398 7.3398 7.4213 7.4213 7.9116 7.9116 7.9591 7.9591 8.1172 8.1172 8.1327 8.1327 8.4328 8.4328 8.4333 8.4333 9.4176 9.4176 9.4958 9.4958 11.0764 11.0764 11.0905 11.0905 12.8115 12.8115 12.9337 12.9337 k = 0.5000 0.1949 0.2754 ( 3536 PWs) bands (ev): 0.4544 0.4544 0.4555 0.4555 1.6990 1.6990 1.7127 1.7127 4.0741 4.0741 4.1011 4.1011 5.5309 5.5309 5.5531 5.5531 7.1506 7.1506 7.1691 7.1691 7.3521 7.3521 7.4248 7.4248 7.9138 7.9138 7.9608 7.9608 8.1216 8.1216 8.1334 8.1334 8.4326 8.4326 8.4337 8.4337 9.4778 9.4778 9.5554 9.5554 11.1838 11.1838 11.2024 11.2024 12.8056 12.8056 12.9064 12.9064 k = 0.5000 0.2058 0.2754 ( 3536 PWs) bands (ev): 0.4856 0.4856 0.4868 0.4868 1.6881 1.6881 1.7011 1.7011 4.0581 4.0581 4.0823 4.0823 5.4315 5.4315 5.4523 5.4523 7.1520 7.1520 7.1677 7.1677 7.3632 7.3632 7.4278 7.4278 7.9161 7.9161 7.9620 7.9620 8.1245 8.1245 8.1330 8.1330 8.4325 8.4325 8.4339 8.4339 9.5395 9.5395 9.6158 9.6158 11.2903 11.2903 11.3136 11.3136 12.7748 12.7748 12.8554 12.8554 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 4.0479 4.0479 4.0696 4.0696 5.3341 5.3341 5.3534 5.3534 7.1534 7.1534 7.1666 7.1666 7.3733 7.3733 7.4305 7.4305 7.9185 7.9185 7.9629 7.9629 8.1262 8.1262 8.1318 8.1318 8.4324 8.4324 8.4340 8.4340 9.6020 9.6020 9.6763 9.6763 11.3942 11.3942 11.4223 11.4223 12.7297 12.7297 12.7959 12.7959 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 4.0439 4.0439 4.0631 4.0631 5.2391 5.2391 5.2568 5.2568 7.1547 7.1547 7.1659 7.1659 7.3823 7.3823 7.4326 7.4326 7.9212 7.9212 7.9636 7.9636 8.1268 8.1268 8.1300 8.1300 8.4323 8.4323 8.4340 8.4340 9.6645 9.6645 9.7361 9.7361 11.4932 11.4932 11.5266 11.5266 12.6796 12.6796 12.7369 12.7369 k = 0.5000 0.2383 0.2754 ( 3540 PWs) bands (ev): 0.5812 0.5812 0.5826 0.5826 1.6435 1.6435 1.6540 1.6540 4.0461 4.0461 4.0628 4.0628 5.1468 5.1468 5.1629 5.1629 7.1559 7.1559 7.1653 7.1653 7.3904 7.3904 7.4343 7.4343 7.9241 7.9241 7.9640 7.9640 8.1266 8.1266 8.1278 8.1278 8.4322 8.4322 8.4340 8.4340 9.7264 9.7264 9.7946 9.7946 11.5847 11.5847 11.6237 11.6237 12.6318 12.6318 12.6848 12.6848 k = 0.5000 0.2491 0.2754 ( 3544 PWs) bands (ev): 0.6126 0.6126 0.6140 0.6140 1.6255 1.6255 1.6350 1.6350 4.0543 4.0543 4.0686 4.0686 5.0576 5.0576 5.0722 5.0722 7.1570 7.1570 7.1649 7.1649 7.3976 7.3976 7.4356 7.4356 7.9273 7.9273 7.9642 7.9642 8.1252 8.1252 8.1257 8.1257 8.4321 8.4321 8.4339 8.4339 9.7869 9.7869 9.8510 9.8510 11.6652 11.6652 11.7097 11.7097 12.5932 12.5932 12.6449 12.6449 k = 0.5000 0.2599 0.2754 ( 3532 PWs) bands (ev): 0.6430 0.6430 0.6443 0.6443 1.6066 1.6066 1.6151 1.6151 4.0683 4.0683 4.0804 4.0804 4.9721 4.9721 4.9851 4.9851 7.1582 7.1582 7.1647 7.1647 7.4040 7.4040 7.4364 7.4364 7.9309 7.9309 7.9645 7.9645 8.1226 8.1226 8.1243 8.1243 8.4321 8.4321 8.4337 8.4337 9.8450 9.8450 9.9042 9.9042 11.7311 11.7311 11.7799 11.7799 12.5705 12.5705 12.6225 12.6225 k = 0.5000 0.2708 0.2754 ( 3532 PWs) bands (ev): 0.6717 0.6717 0.6731 0.6731 1.5876 1.5876 1.5951 1.5951 4.0877 4.0877 4.0976 4.0976 4.8909 4.8909 4.9023 4.9023 7.1592 7.1592 7.1646 7.1646 7.4096 7.4096 7.4368 7.4368 7.9346 7.9346 7.9644 7.9644 8.1200 8.1200 8.1225 8.1225 8.4321 8.4321 8.4336 8.4336 9.8998 9.8998 9.9532 9.9532 11.7792 11.7792 11.8297 11.8297 12.5698 12.5698 12.6216 12.6216 k = 0.5000 0.2816 0.2754 ( 3528 PWs) bands (ev): 0.6982 0.6982 0.6994 0.6994 1.5693 1.5693 1.5756 1.5756 4.1116 4.1116 4.1195 4.1195 4.8148 4.8148 4.8246 4.8246 7.1602 7.1602 7.1644 7.1644 7.4146 7.4146 7.4369 7.4369 7.9384 7.9384 7.9640 7.9640 8.1176 8.1176 8.1205 8.1205 8.4321 8.4321 8.4334 8.4334 9.9502 9.9502 9.9968 9.9968 11.8092 11.8092 11.8574 11.8574 12.5940 12.5940 12.6436 12.6436 k = 0.5000 0.2924 0.2754 ( 3528 PWs) bands (ev): 0.7216 0.7216 0.7227 0.7227 1.5525 1.5525 1.5577 1.5577 4.1389 4.1389 4.1449 4.1449 4.7452 4.7452 4.7533 4.7533 7.1610 7.1610 7.1643 7.1643 7.4189 7.4189 7.4364 7.4364 7.9423 7.9423 7.9633 7.9633 8.1155 8.1155 8.1185 8.1185 8.4322 8.4322 8.4333 8.4333 9.9949 9.9949 10.0338 10.0338 11.8239 11.8239 11.8659 11.8659 12.6410 12.6410 12.6863 12.6863 k = 0.5000 0.3033 0.2754 ( 3544 PWs) bands (ev): 0.7411 0.7411 0.7420 0.7420 1.5382 1.5382 1.5422 1.5422 4.1677 4.1677 4.1718 4.1718 4.6839 4.6839 4.6902 4.6902 7.1617 7.1617 7.1641 7.1641 7.4226 7.4226 7.4356 7.4356 7.9460 7.9460 7.9621 7.9621 8.1139 8.1139 8.1165 8.1165 8.4322 8.4322 8.4330 8.4330 10.0327 10.0327 10.0629 10.0629 11.8288 11.8288 11.8619 11.8619 12.7047 12.7047 12.7443 12.7443 k = 0.5000 0.3141 0.2754 ( 3544 PWs) bands (ev): 0.7558 0.7558 0.7565 0.7565 1.5274 1.5274 1.5301 1.5301 4.1947 4.1947 4.1973 4.1973 4.6341 4.6341 4.6385 4.6385 7.1623 7.1623 7.1639 7.1639 7.4259 7.4259 7.4344 7.4344 7.9496 7.9496 7.9605 7.9605 8.1129 8.1129 8.1148 8.1148 8.4323 8.4323 8.4328 8.4328 10.0625 10.0625 10.0831 10.0831 11.8294 11.8294 11.8521 11.8521 12.7776 12.7776 12.8108 12.8108 k = 0.5000 0.3249 0.2754 ( 3544 PWs) bands (ev): 0.7651 0.7651 0.7654 0.7654 1.5208 1.5208 1.5221 1.5221 4.2151 4.2151 4.2163 4.2163 4.6007 4.6007 4.6030 4.6030 7.1628 7.1628 7.1636 7.1636 7.4286 7.4286 7.4329 7.4329 7.9529 7.9529 7.9585 7.9585 8.1125 8.1125 8.1135 8.1135 8.4324 8.4324 8.4326 8.4326 10.0830 10.0830 10.0935 10.0935 11.8303 11.8303 11.8419 11.8419 12.8505 12.8505 12.8743 12.8743 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 4.2233 4.2233 4.2233 4.2233 4.5894 4.5894 4.5894 4.5894 7.1632 7.1632 7.1632 7.1632 7.4310 7.4310 7.4310 7.4310 7.9559 7.9559 7.9559 7.9559 8.1127 8.1127 8.1127 8.1127 8.4325 8.4325 8.4325 8.4325 10.0934 10.0934 10.0934 10.0934 11.8342 11.8342 11.8342 11.8342 12.8986 12.8986 12.8986 12.8986 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 4.2233 4.2233 4.2233 4.2233 4.5894 4.5894 4.5894 4.5894 7.1632 7.1632 7.1632 7.1632 7.4310 7.4310 7.4310 7.4310 7.9559 7.9559 7.9559 7.9559 8.1127 8.1127 8.1127 8.1127 8.4325 8.4325 8.4325 8.4325 10.0934 10.0934 10.0934 10.0934 11.8342 11.8342 11.8342 11.8342 12.8986 12.8986 12.8986 12.8986 k = 0.4891 0.3357 0.2754 ( 3548 PWs) bands (ev): 0.7656 0.7656 0.7656 0.7656 1.5135 1.5135 1.5135 1.5135 4.2305 4.2305 4.2305 4.2305 4.5935 4.5935 4.5935 4.5935 7.1624 7.1624 7.1624 7.1624 7.4322 7.4322 7.4322 7.4322 7.9558 7.9558 7.9558 7.9558 8.1137 8.1137 8.1137 8.1137 8.4330 8.4330 8.4330 8.4330 10.0899 10.0899 10.0899 10.0899 11.8289 11.8289 11.8289 11.8289 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 4.2520 4.2520 4.2520 4.2520 4.6055 4.6055 4.6055 4.6055 7.1597 7.1597 7.1597 7.1597 7.4360 7.4360 7.4360 7.4360 7.9554 7.9554 7.9554 7.9554 8.1166 8.1166 8.1166 8.1166 8.4347 8.4347 8.4347 8.4347 10.0794 10.0794 10.0794 10.0794 11.8133 11.8133 11.8133 11.8133 12.9256 12.9256 12.9256 12.9256 k = 0.4674 0.3357 0.2754 ( 3536 PWs) bands (ev): 0.7439 0.7439 0.7439 0.7439 1.4709 1.4709 1.4709 1.4709 4.2871 4.2871 4.2871 4.2871 4.6253 4.6253 4.6253 4.6253 7.1553 7.1553 7.1553 7.1553 7.4423 7.4423 7.4423 7.4423 7.9546 7.9546 7.9546 7.9546 8.1216 8.1216 8.1216 8.1216 8.4375 8.4375 8.4375 8.4375 10.0622 10.0622 10.0622 10.0622 11.7888 11.7888 11.7888 11.7888 12.9563 12.9563 12.9563 12.9563 k = 0.4565 0.3357 0.2754 ( 3532 PWs) bands (ev): 0.7253 0.7253 0.7253 0.7253 1.4351 1.4351 1.4351 1.4351 4.3348 4.3348 4.3348 4.3348 4.6527 4.6527 4.6527 4.6527 7.1495 7.1495 7.1495 7.1495 7.4510 7.4510 7.4510 7.4510 7.9536 7.9536 7.9536 7.9536 8.1287 8.1287 8.1287 8.1287 8.4414 8.4414 8.4414 8.4414 10.0384 10.0384 10.0384 10.0384 11.7570 11.7570 11.7570 11.7570 12.9928 12.9928 12.9928 12.9928 k = 0.4457 0.3357 0.2754 ( 3532 PWs) bands (ev): 0.7019 0.7019 0.7019 0.7019 1.3911 1.3911 1.3911 1.3911 4.3940 4.3940 4.3940 4.3940 4.6872 4.6872 4.6872 4.6872 7.1422 7.1422 7.1422 7.1422 7.4621 7.4621 7.4621 7.4621 7.9522 7.9522 7.9522 7.9522 8.1379 8.1379 8.1379 8.1379 8.4465 8.4465 8.4465 8.4465 10.0085 10.0085 10.0085 10.0085 11.7198 11.7198 11.7198 11.7198 13.0250 13.0250 13.0250 13.0250 k = 0.4348 0.3357 0.2754 ( 3528 PWs) bands (ev): 0.6741 0.6741 0.6741 0.6741 1.3400 1.3400 1.3400 1.3400 4.4633 4.4633 4.4633 4.4633 4.7285 4.7285 4.7285 4.7285 7.1338 7.1338 7.1338 7.1338 7.4754 7.4754 7.4754 7.4754 7.9504 7.9504 7.9504 7.9504 8.1497 8.1497 8.1497 8.1497 8.4529 8.4529 8.4529 8.4529 9.9730 9.9730 9.9730 9.9730 11.6788 11.6788 11.6788 11.6788 13.0433 13.0433 13.0433 13.0433 k = 0.4239 0.3357 0.2754 ( 3524 PWs) bands (ev): 0.6422 0.6422 0.6422 0.6422 1.2828 1.2828 1.2828 1.2828 4.5413 4.5413 4.5413 4.5413 4.7759 4.7759 4.7759 4.7759 7.1246 7.1246 7.1246 7.1246 7.4909 7.4909 7.4909 7.4909 7.9481 7.9481 7.9481 7.9481 8.1641 8.1641 8.1641 8.1641 8.4605 8.4605 8.4605 8.4605 9.9324 9.9324 9.9324 9.9324 11.6354 11.6354 11.6354 11.6354 13.0507 13.0507 13.0507 13.0507 k = 0.4130 0.3357 0.2754 ( 3528 PWs) bands (ev): 0.6067 0.6067 0.6067 0.6067 1.2208 1.2208 1.2208 1.2208 4.6265 4.6265 4.6265 4.6265 4.8290 4.8290 4.8290 4.8290 7.1150 7.1150 7.1150 7.1150 7.5082 7.5082 7.5082 7.5082 7.9454 7.9454 7.9454 7.9454 8.1813 8.1813 8.1813 8.1813 8.4695 8.4695 8.4695 8.4695 9.8872 9.8872 9.8872 9.8872 11.5907 11.5907 11.5907 11.5907 13.0517 13.0517 13.0517 13.0518 k = 0.4022 0.3357 0.2754 ( 3528 PWs) bands (ev): 0.5681 0.5681 0.5681 0.5681 1.1550 1.1550 1.1550 1.1550 4.7174 4.7174 4.7174 4.7174 4.8871 4.8871 4.8871 4.8871 7.1052 7.1052 7.1052 7.1052 7.5273 7.5273 7.5273 7.5273 7.9422 7.9422 7.9422 7.9422 8.2018 8.2018 8.2018 8.2018 8.4799 8.4799 8.4799 8.4799 9.8379 9.8379 9.8379 9.8379 11.5455 11.5455 11.5455 11.5455 13.0480 13.0480 13.0480 13.0480 k = 0.3913 0.3357 0.2754 ( 3532 PWs) bands (ev): 0.5267 0.5267 0.5267 0.5267 1.0862 1.0862 1.0862 1.0862 4.8126 4.8126 4.8126 4.8126 4.9497 4.9497 4.9497 4.9497 7.0960 7.0960 7.0960 7.0960 7.5479 7.5479 7.5479 7.5479 7.9385 7.9385 7.9385 7.9385 8.2259 8.2259 8.2259 8.2259 8.4920 8.4920 8.4920 8.4920 9.7852 9.7852 9.7852 9.7852 11.5005 11.5005 11.5005 11.5005 13.0396 13.0396 13.0396 13.0396 k = 0.3804 0.3357 0.2754 ( 3532 PWs) bands (ev): 0.4829 0.4829 0.4829 0.4829 1.0153 1.0153 1.0153 1.0153 4.9106 4.9106 4.9106 4.9106 5.0163 5.0163 5.0163 5.0163 7.0878 7.0878 7.0878 7.0878 7.5696 7.5696 7.5696 7.5696 7.9343 7.9343 7.9343 7.9343 8.2539 8.2539 8.2539 8.2539 8.5058 8.5058 8.5058 8.5058 9.7295 9.7295 9.7295 9.7295 11.4562 11.4562 11.4562 11.4562 13.0265 13.0265 13.0265 13.0265 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 5.0097 5.0097 5.0097 5.0097 5.0865 5.0865 5.0865 5.0865 7.0811 7.0811 7.0811 7.0811 7.5921 7.5921 7.5921 7.5921 7.9296 7.9296 7.9296 7.9296 8.2862 8.2862 8.2862 8.2862 8.5216 8.5216 8.5216 8.5216 9.6713 9.6713 9.6713 9.6713 11.4129 11.4129 11.4129 11.4129 13.0089 13.0089 13.0089 13.0089 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 5.1079 5.1079 5.1079 5.1079 5.1604 5.1604 5.1604 5.1604 7.0768 7.0768 7.0768 7.0768 7.6151 7.6151 7.6151 7.6151 7.9244 7.9244 7.9244 7.9244 8.3232 8.3232 8.3232 8.3232 8.5397 8.5397 8.5397 8.5397 9.6113 9.6113 9.6113 9.6113 11.3710 11.3710 11.3710 11.3710 12.9867 12.9867 12.9867 12.9867 k = 0.3478 0.3357 0.2754 ( 3532 PWs) bands (ev): 0.3420 0.3420 0.3420 0.3420 0.7963 0.7963 0.7963 0.7963 5.2018 5.2018 5.2018 5.2018 5.2392 5.2392 5.2392 5.2392 7.0755 7.0755 7.0755 7.0755 7.6382 7.6382 7.6382 7.6382 7.9189 7.9189 7.9189 7.9189 8.3650 8.3650 8.3650 8.3650 8.5602 8.5602 8.5602 8.5602 9.5499 9.5499 9.5499 9.5499 11.3305 11.3305 11.3305 11.3305 12.9602 12.9602 12.9602 12.9602 k = 0.3370 0.3357 0.2754 ( 3520 PWs) bands (ev): 0.2930 0.2930 0.2930 0.2930 0.7229 0.7229 0.7229 0.7229 5.2880 5.2880 5.2880 5.2880 5.3242 5.3242 5.3242 5.3242 7.0782 7.0782 7.0782 7.0782 7.6611 7.6611 7.6611 7.6611 7.9130 7.9130 7.9130 7.9130 8.4119 8.4119 8.4119 8.4119 8.5840 8.5840 8.5840 8.5840 9.4877 9.4877 9.4877 9.4877 11.2917 11.2917 11.2917 11.2917 12.9298 12.9298 12.9298 12.9298 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 5.3681 5.3681 5.3681 5.3681 5.4119 5.4119 5.4119 5.4119 7.0855 7.0855 7.0855 7.0855 7.6834 7.6834 7.6834 7.6834 7.9067 7.9067 7.9067 7.9067 8.4636 8.4636 8.4636 8.4636 8.6113 8.6113 8.6113 8.6113 9.4252 9.4252 9.4252 9.4252 11.2547 11.2547 11.2547 11.2547 12.8959 12.8959 12.8959 12.8959 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 5.4453 5.4453 5.4453 5.4453 5.4970 5.4970 5.4970 5.4970 7.0983 7.0983 7.0983 7.0983 7.7048 7.7048 7.7048 7.7048 7.9003 7.9003 7.9003 7.9003 8.5192 8.5192 8.5192 8.5192 8.6435 8.6435 8.6435 8.6435 9.3633 9.3633 9.3633 9.3633 11.2196 11.2196 11.2196 11.2196 12.8593 12.8593 12.8593 12.8593 k = 0.3043 0.3357 0.2754 ( 3532 PWs) bands (ev): 0.1441 0.1441 0.1441 0.1441 0.5070 0.5070 0.5070 0.5070 5.5205 5.5205 5.5205 5.5205 5.5766 5.5766 5.5766 5.5766 7.1172 7.1172 7.1172 7.1172 7.7252 7.7252 7.7252 7.7252 7.8937 7.8937 7.8937 7.8937 8.5768 8.5768 8.5768 8.5768 8.6821 8.6821 8.6821 8.6821 9.3029 9.3029 9.3029 9.3029 11.1864 11.1864 11.1864 11.1864 12.8205 12.8205 12.8205 12.8205 k = 0.2935 0.3357 0.2754 ( 3528 PWs) bands (ev): 0.0948 0.0948 0.0948 0.0948 0.4373 0.4373 0.4373 0.4373 5.5932 5.5932 5.5932 5.5932 5.6499 5.6499 5.6499 5.6499 7.1426 7.1426 7.1426 7.1426 7.7442 7.7442 7.7442 7.7442 7.8872 7.8872 7.8872 7.8872 8.6331 8.6331 8.6331 8.6331 8.7302 8.7302 8.7302 8.7302 9.2457 9.2457 9.2457 9.2457 11.1553 11.1553 11.1553 11.1553 12.7802 12.7802 12.7802 12.7802 k = 0.2826 0.3357 0.2754 ( 3536 PWs) bands (ev): 0.0459 0.0459 0.0459 0.0459 0.3692 0.3692 0.3692 0.3692 5.6613 5.6613 5.6613 5.6613 5.7177 5.7177 5.7177 5.7177 7.1743 7.1743 7.1743 7.1743 7.7618 7.7618 7.7618 7.7618 7.8809 7.8809 7.8809 7.8809 8.6838 8.6838 8.6838 8.6838 8.7892 8.7892 8.7892 8.7892 9.1948 9.1948 9.1948 9.1948 11.1262 11.1262 11.1262 11.1262 12.7391 12.7391 12.7391 12.7391 k = 0.2717 0.3357 0.2754 ( 3536 PWs) bands (ev): -0.0021 -0.0021 -0.0021 -0.0021 0.3028 0.3028 0.3028 0.3028 5.7212 5.7212 5.7212 5.7212 5.7831 5.7831 5.7831 5.7831 7.2118 7.2118 7.2118 7.2118 7.7775 7.7775 7.7775 7.7775 7.8753 7.8753 7.8753 7.8753 8.7264 8.7264 8.7264 8.7264 8.8565 8.8565 8.8565 8.8565 9.1564 9.1564 9.1564 9.1564 11.0993 11.0993 11.0993 11.0993 12.6979 12.6979 12.6979 12.6979 k = 0.2609 0.3357 0.2754 ( 3544 PWs) bands (ev): -0.0493 -0.0493 -0.0493 -0.0493 0.2382 0.2382 0.2382 0.2382 5.7691 5.7691 5.7691 5.7691 5.8494 5.8494 5.8494 5.8494 7.2540 7.2540 7.2540 7.2540 7.7908 7.7908 7.7908 7.7908 7.8709 7.8709 7.8709 7.8709 8.7563 8.7563 8.7563 8.7563 8.9246 8.9246 8.9246 8.9246 9.1429 9.1429 9.1429 9.1429 11.0747 11.0747 11.0747 11.0747 12.6573 12.6573 12.6573 12.6573 k = 0.2500 0.3357 0.2754 ( 3544 PWs) bands (ev): -0.0955 -0.0955 -0.0955 -0.0955 0.1756 0.1756 0.1756 0.1756 5.8051 5.8051 5.8051 5.8051 5.9174 5.9174 5.9174 5.9174 7.2994 7.2994 7.2994 7.2994 7.8013 7.8013 7.8013 7.8013 7.8685 7.8685 7.8685 7.8685 8.7646 8.7646 8.7646 8.7646 8.9871 8.9871 8.9871 8.9871 9.1699 9.1699 9.1699 9.1699 11.0523 11.0523 11.0523 11.0523 12.6181 12.6181 12.6181 12.6181 k = 0.2391 0.3357 0.2754 ( 3536 PWs) bands (ev): -0.1404 -0.1404 -0.1404 -0.1404 0.1152 0.1152 0.1152 0.1152 5.8309 5.8309 5.8309 5.8309 5.9858 5.9858 5.9858 5.9858 7.3464 7.3464 7.3464 7.3464 7.8080 7.8080 7.8080 7.8080 7.8690 7.8690 7.8690 7.8690 8.7471 8.7471 8.7471 8.7471 9.0490 9.0490 9.0490 9.0490 9.2367 9.2367 9.2367 9.2367 11.0325 11.0325 11.0325 11.0325 12.5810 12.5810 12.5810 12.5810 k = 0.2283 0.3357 0.2754 ( 3540 PWs) bands (ev): -0.1840 -0.1840 -0.1840 -0.1840 0.0569 0.0569 0.0569 0.0569 5.8483 5.8483 5.8483 5.8483 6.0538 6.0538 6.0538 6.0538 7.3932 7.3932 7.3932 7.3932 7.8107 7.8107 7.8107 7.8107 7.8726 7.8726 7.8726 7.8726 8.7105 8.7105 8.7105 8.7105 9.1195 9.1195 9.1195 9.1195 9.3271 9.3271 9.3271 9.3271 11.0153 11.0153 11.0153 11.0153 12.5468 12.5468 12.5468 12.5468 k = 0.2174 0.3357 0.2754 ( 3544 PWs) bands (ev): -0.2262 -0.2262 -0.2262 -0.2262 0.0009 0.0009 0.0009 0.0009 5.8590 5.8590 5.8590 5.8590 6.1209 6.1209 6.1209 6.1209 7.4381 7.4381 7.4381 7.4381 7.8103 7.8103 7.8103 7.8103 7.8785 7.8785 7.8785 7.8785 8.6637 8.6637 8.6637 8.6637 9.2006 9.2006 9.2006 9.2006 9.4294 9.4294 9.4294 9.4294 11.0010 11.0010 11.0010 11.0010 12.5163 12.5163 12.5163 12.5163 k = 0.2065 0.3357 0.2754 ( 3552 PWs) bands (ev): -0.2668 -0.2668 -0.2668 -0.2668 -0.0527 -0.0527 -0.0527 -0.0527 5.8643 5.8643 5.8643 5.8643 6.1869 6.1869 6.1869 6.1869 7.4799 7.4799 7.4799 7.4799 7.8083 7.8083 7.8083 7.8083 7.8853 7.8853 7.8853 7.8853 8.6121 8.6121 8.6121 8.6121 9.2913 9.2913 9.2913 9.2913 9.5382 9.5382 9.5382 9.5382 10.9900 10.9900 10.9900 10.9900 12.4904 12.4904 12.4904 12.4904 k = 0.1957 0.3357 0.2754 ( 3548 PWs) bands (ev): -0.3058 -0.3058 -0.3058 -0.3058 -0.1038 -0.1038 -0.1038 -0.1038 5.8652 5.8652 5.8652 5.8652 6.2518 6.2518 6.2518 6.2518 7.5176 7.5176 7.5176 7.5176 7.8059 7.8059 7.8059 7.8059 7.8918 7.8918 7.8918 7.8918 8.5588 8.5588 8.5588 8.5588 9.3897 9.3897 9.3897 9.3897 9.6506 9.6506 9.6506 9.6506 10.9829 10.9829 10.9829 10.9829 12.4700 12.4700 12.4700 12.4700 k = 0.1848 0.3357 0.2754 ( 3544 PWs) bands (ev): -0.3431 -0.3431 -0.3431 -0.3431 -0.1525 -0.1525 -0.1525 -0.1525 5.8628 5.8628 5.8628 5.8628 6.3156 6.3156 6.3156 6.3156 7.5504 7.5504 7.5504 7.5504 7.8038 7.8038 7.8038 7.8038 7.8973 7.8973 7.8973 7.8973 8.5056 8.5056 8.5056 8.5056 9.4941 9.4941 9.4941 9.4941 9.7643 9.7643 9.7643 9.7643 10.9802 10.9802 10.9802 10.9802 12.4561 12.4561 12.4561 12.4561 k = 0.1739 0.3357 0.2754 ( 3536 PWs) bands (ev): -0.3785 -0.3785 -0.3785 -0.3785 -0.1986 -0.1986 -0.1986 -0.1986 5.8579 5.8579 5.8579 5.8579 6.3782 6.3782 6.3782 6.3782 7.5779 7.5779 7.5779 7.5779 7.8023 7.8023 7.8023 7.8023 7.9010 7.9010 7.9010 7.9010 8.4538 8.4538 8.4538 8.4538 9.6024 9.6024 9.6024 9.6024 9.8775 9.8775 9.8775 9.8775 10.9829 10.9829 10.9829 10.9829 12.4496 12.4496 12.4496 12.4496 k = 0.1630 0.3357 0.2754 ( 3532 PWs) bands (ev): -0.4121 -0.4121 -0.4121 -0.4121 -0.2421 -0.2421 -0.2421 -0.2421 5.8510 5.8510 5.8510 5.8510 6.4397 6.4397 6.4397 6.4397 7.6001 7.6001 7.6001 7.6001 7.8017 7.8017 7.8017 7.8017 7.9022 7.9022 7.9022 7.9022 8.4045 8.4045 8.4045 8.4045 9.7124 9.7124 9.7124 9.7124 9.9881 9.9881 9.9881 9.9881 10.9924 10.9924 10.9924 10.9924 12.4518 12.4518 12.4518 12.4518 k = 0.1522 0.3357 0.2754 ( 3532 PWs) bands (ev): -0.4438 -0.4438 -0.4438 -0.4438 -0.2830 -0.2830 -0.2830 -0.2830 5.8428 5.8428 5.8428 5.8428 6.5002 6.5002 6.5002 6.5002 7.6170 7.6170 7.6170 7.6170 7.8019 7.8019 7.8019 7.8019 7.9003 7.9003 7.9003 7.9003 8.3588 8.3588 8.3588 8.3588 9.8215 9.8215 9.8215 9.8215 10.0940 10.0940 10.0940 10.0940 11.0102 11.0102 11.0102 11.0102 12.4635 12.4635 12.4635 12.4635 k = 0.1413 0.3357 0.2754 ( 3528 PWs) bands (ev): -0.4735 -0.4735 -0.4735 -0.4735 -0.3212 -0.3212 -0.3212 -0.3212 5.8338 5.8338 5.8338 5.8338 6.5597 6.5597 6.5597 6.5597 7.6292 7.6292 7.6292 7.6292 7.8021 7.8021 7.8021 7.8021 7.8951 7.8951 7.8951 7.8951 8.3177 8.3177 8.3177 8.3177 9.9271 9.9271 9.9271 9.9271 10.1928 10.1928 10.1928 10.1928 11.0385 11.0385 11.0385 11.0385 12.4859 12.4859 12.4859 12.4859 k = 0.1304 0.3357 0.2754 ( 3520 PWs) bands (ev): -0.5011 -0.5011 -0.5011 -0.5011 -0.3566 -0.3566 -0.3566 -0.3566 5.8242 5.8242 5.8242 5.8242 6.6183 6.6183 6.6183 6.6183 7.6373 7.6373 7.6373 7.6373 7.8009 7.8009 7.8009 7.8009 7.8870 7.8870 7.8870 7.8870 8.2821 8.2821 8.2821 8.2821 10.0264 10.0264 10.0264 10.0264 10.2823 10.2823 10.2823 10.2823 11.0794 11.0794 11.0794 11.0794 12.5196 12.5196 12.5196 12.5196 k = 0.1196 0.3357 0.2754 ( 3536 PWs) bands (ev): -0.5267 -0.5267 -0.5267 -0.5267 -0.3893 -0.3893 -0.3893 -0.3893 5.8145 5.8145 5.8145 5.8145 6.6759 6.6759 6.6759 6.6759 7.6420 7.6420 7.6420 7.6420 7.7957 7.7957 7.7957 7.7957 7.8774 7.8774 7.8774 7.8774 8.2526 8.2526 8.2526 8.2526 10.1169 10.1169 10.1169 10.1169 10.3605 10.3605 10.3605 10.3605 11.1344 11.1344 11.1344 11.1344 12.5649 12.5649 12.5649 12.5649 k = 0.1087 0.3357 0.2754 ( 3544 PWs) bands (ev): -0.5502 -0.5502 -0.5502 -0.5502 -0.4193 -0.4193 -0.4193 -0.4193 5.8050 5.8050 5.8050 5.8050 6.7327 6.7327 6.7327 6.7327 7.6438 7.6438 7.6438 7.6438 7.7830 7.7830 7.7830 7.7830 7.8698 7.8698 7.8698 7.8698 8.2295 8.2295 8.2295 8.2295 10.1965 10.1965 10.1965 10.1965 10.4269 10.4269 10.4269 10.4269 11.2037 11.2037 11.2037 11.2037 12.6217 12.6217 12.6217 12.6217 k = 0.0978 0.3357 0.2754 ( 3536 PWs) bands (ev): -0.5716 -0.5716 -0.5716 -0.5716 -0.4465 -0.4465 -0.4465 -0.4465 5.7958 5.7958 5.7958 5.7958 6.7888 6.7888 6.7888 6.7888 7.6431 7.6431 7.6431 7.6431 7.7614 7.7614 7.7614 7.7614 7.8662 7.8662 7.8662 7.8662 8.2122 8.2122 8.2122 8.2122 10.2638 10.2638 10.2638 10.2638 10.4820 10.4820 10.4820 10.4820 11.2859 11.2859 11.2859 11.2859 12.6892 12.6892 12.6892 12.6892 k = 0.0870 0.3357 0.2754 ( 3536 PWs) bands (ev): -0.5907 -0.5907 -0.5907 -0.5907 -0.4708 -0.4708 -0.4708 -0.4708 5.7871 5.7871 5.7871 5.7871 6.8440 6.8440 6.8440 6.8440 7.6394 7.6394 7.6394 7.6394 7.7332 7.7332 7.7332 7.7332 7.8659 7.8659 7.8659 7.8659 8.1997 8.1997 8.1997 8.1997 10.3186 10.3186 10.3186 10.3186 10.5274 10.5274 10.5274 10.5274 11.3775 11.3775 11.3775 11.3775 12.7655 12.7655 12.7655 12.7655 k = 0.0761 0.3357 0.2754 ( 3532 PWs) bands (ev): -0.6077 -0.6077 -0.6077 -0.6077 -0.4924 -0.4924 -0.4924 -0.4924 5.7792 5.7792 5.7792 5.7792 6.8984 6.8984 6.8984 6.8984 7.6305 7.6305 7.6305 7.6305 7.7036 7.7036 7.7036 7.7036 7.8674 7.8674 7.8674 7.8674 8.1912 8.1912 8.1912 8.1912 10.3614 10.3614 10.3614 10.3614 10.5649 10.5649 10.5649 10.5649 11.4744 11.4744 11.4744 11.4744 12.8481 12.8481 12.8481 12.8481 k = 0.0652 0.3357 0.2754 ( 3544 PWs) bands (ev): -0.6224 -0.6224 -0.6224 -0.6224 -0.5111 -0.5111 -0.5111 -0.5111 5.7720 5.7720 5.7720 5.7720 6.9516 6.9516 6.9516 6.9516 7.6110 7.6110 7.6110 7.6110 7.6802 7.6802 7.6802 7.6802 7.8697 7.8697 7.8697 7.8697 8.1853 8.1853 8.1853 8.1853 10.3938 10.3938 10.3938 10.3938 10.5958 10.5958 10.5958 10.5958 11.5718 11.5718 11.5718 11.5718 12.9334 12.9334 12.9334 12.9334 k = 0.0543 0.3357 0.2754 ( 3548 PWs) bands (ev): -0.6349 -0.6349 -0.6349 -0.6349 -0.5269 -0.5269 -0.5269 -0.5269 5.7658 5.7658 5.7658 5.7658 7.0034 7.0034 7.0034 7.0034 7.5790 7.5790 7.5790 7.5790 7.6673 7.6673 7.6673 7.6673 7.8721 7.8721 7.8721 7.8721 8.1816 8.1816 8.1816 8.1816 10.4177 10.4177 10.4177 10.4177 10.6208 10.6208 10.6208 10.6208 11.6653 11.6653 11.6653 11.6653 13.0171 13.0171 13.0171 13.0171 k = 0.0435 0.3357 0.2754 ( 3548 PWs) bands (ev): -0.6452 -0.6452 -0.6452 -0.6452 -0.5399 -0.5399 -0.5399 -0.5399 5.7606 5.7606 5.7606 5.7606 7.0532 7.0532 7.0532 7.0532 7.5402 7.5402 7.5402 7.5402 7.6609 7.6609 7.6609 7.6609 7.8743 7.8743 7.8743 7.8743 8.1792 8.1792 8.1792 8.1792 10.4348 10.4348 10.4348 10.4348 10.6405 10.6405 10.6405 10.6405 11.7501 11.7501 11.7501 11.7501 13.0938 13.0938 13.0938 13.0938 k = 0.0326 0.3357 0.2754 ( 3548 PWs) bands (ev): -0.6532 -0.6532 -0.6532 -0.6532 -0.5499 -0.5499 -0.5499 -0.5499 5.7565 5.7565 5.7565 5.7565 7.0998 7.0998 7.0998 7.0998 7.5000 7.5000 7.5000 7.5000 7.6574 7.6574 7.6574 7.6574 7.8761 7.8761 7.8761 7.8761 8.1777 8.1777 8.1777 8.1777 10.4467 10.4467 10.4467 10.4467 10.6553 10.6553 10.6553 10.6553 11.8219 11.8219 11.8219 11.8219 13.1585 13.1585 13.1585 13.1585 k = 0.0217 0.3357 0.2754 ( 3544 PWs) bands (ev): -0.6589 -0.6589 -0.6589 -0.6589 -0.5572 -0.5572 -0.5572 -0.5572 5.7535 5.7535 5.7535 5.7535 7.1408 7.1408 7.1408 7.1408 7.4629 7.4629 7.4629 7.4629 7.6554 7.6554 7.6554 7.6554 7.8775 7.8775 7.8775 7.8775 8.1769 8.1769 8.1769 8.1769 10.4545 10.4545 10.4545 10.4545 10.6656 10.6656 10.6656 10.6656 11.8768 11.8768 11.8768 11.8768 13.2067 13.2067 13.2067 13.2067 k = 0.0109 0.3357 0.2754 ( 3544 PWs) bands (ev): -0.6623 -0.6623 -0.6623 -0.6623 -0.5615 -0.5615 -0.5615 -0.5615 5.7517 5.7517 5.7517 5.7517 7.1710 7.1710 7.1710 7.1710 7.4346 7.4346 7.4346 7.4346 7.6543 7.6543 7.6543 7.6543 7.8783 7.8783 7.8783 7.8783 8.1765 8.1765 8.1765 8.1765 10.4589 10.4589 10.4589 10.4589 10.6717 10.6717 10.6717 10.6717 11.9112 11.9112 11.9112 11.9112 13.2360 13.2360 13.2360 13.2360 k = 0.0000 0.3357 0.2754 ( 3548 PWs) bands (ev): -0.6635 -0.6635 -0.6635 -0.6635 -0.5629 -0.5629 -0.5629 -0.5629 5.7511 5.7511 5.7511 5.7511 7.1826 7.1826 7.1826 7.1826 7.4236 7.4236 7.4236 7.4236 7.6539 7.6539 7.6539 7.6539 7.8785 7.8785 7.8785 7.8785 8.1764 8.1764 8.1764 8.1764 10.4603 10.4603 10.4603 10.4603 10.6737 10.6737 10.6737 10.6737 11.9230 11.9230 11.9230 11.9230 13.2458 13.2458 13.2458 13.2458 k = 0.0000 0.3357 0.2754 ( 3548 PWs) bands (ev): -0.6635 -0.6635 -0.6635 -0.6635 -0.5629 -0.5629 -0.5629 -0.5629 5.7511 5.7511 5.7511 5.7511 7.1826 7.1826 7.1826 7.1826 7.4236 7.4236 7.4236 7.4236 7.6539 7.6539 7.6539 7.6539 7.8785 7.8785 7.8785 7.8785 8.1764 8.1764 8.1764 8.1764 10.4603 10.4603 10.4603 10.4603 10.6737 10.6737 10.6737 10.6737 11.9230 11.9230 11.9230 11.9230 13.2458 13.2458 13.2458 13.2458 k = 0.0000 0.3249 0.2754 ( 3544 PWs) bands (ev): -0.7113 -0.7113 -0.7113 -0.7113 -0.5128 -0.5128 -0.5128 -0.5128 5.7491 5.7491 5.7491 5.7491 7.1829 7.1829 7.1829 7.1829 7.4213 7.4213 7.4213 7.4213 7.6563 7.6563 7.6563 7.6563 7.8795 7.8795 7.8795 7.8795 8.1762 8.1762 8.1762 8.1762 10.4495 10.4495 10.4495 10.4495 10.6737 10.6737 10.6737 10.6737 11.9170 11.9170 11.9170 11.9170 13.2540 13.2540 13.2540 13.2540 k = 0.0000 0.3141 0.2754 ( 3544 PWs) bands (ev): -0.7868 -0.7868 -0.7868 -0.7868 -0.4301 -0.4301 -0.4301 -0.4301 5.7430 5.7430 5.7430 5.7430 7.1837 7.1837 7.1837 7.1837 7.4148 7.4148 7.4148 7.4148 7.6631 7.6631 7.6631 7.6631 7.8824 7.8824 7.8824 7.8824 8.1758 8.1758 8.1758 8.1758 10.4170 10.4170 10.4170 10.4170 10.6747 10.6747 10.6747 10.6747 11.8996 11.8996 11.8996 11.8996 13.2781 13.2781 13.2781 13.2781 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 5.7330 5.7330 5.7330 5.7330 7.1849 7.1849 7.1849 7.1849 7.4048 7.4048 7.4048 7.4048 7.6729 7.6729 7.6729 7.6729 7.8877 7.8877 7.8877 7.8877 8.1750 8.1750 8.1750 8.1750 10.3633 10.3633 10.3633 10.3633 10.6781 10.6781 10.6781 10.6781 11.8724 11.8724 11.8724 11.8724 13.3162 13.3162 13.3162 13.3162 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 5.7192 5.7192 5.7192 5.7192 7.1865 7.1865 7.1865 7.1865 7.3919 7.3919 7.3919 7.3919 7.6841 7.6841 7.6841 7.6841 7.8958 7.8958 7.8958 7.8958 8.1740 8.1740 8.1740 8.1740 10.2904 10.2904 10.2904 10.2904 10.6851 10.6851 10.6851 10.6851 11.8371 11.8371 11.8371 11.8371 13.3660 13.3660 13.3660 13.3660 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 5.7020 5.7020 5.7020 5.7020 7.1886 7.1886 7.1886 7.1886 7.3766 7.3766 7.3766 7.3766 7.6949 7.6949 7.6949 7.6949 7.9074 7.9074 7.9074 7.9074 8.1728 8.1728 8.1728 8.1728 10.2016 10.2016 10.2016 10.2016 10.6957 10.6957 10.6957 10.6957 11.7959 11.7959 11.7959 11.7959 13.4254 13.4254 13.4254 13.4254 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 5.6815 5.6815 5.6815 5.6815 7.1910 7.1910 7.1910 7.1910 7.3593 7.3593 7.3593 7.3593 7.7039 7.7039 7.7039 7.7039 7.9229 7.9229 7.9229 7.9229 8.1714 8.1714 8.1714 8.1714 10.1007 10.1007 10.1007 10.1007 10.7100 10.7100 10.7100 10.7100 11.7505 11.7505 11.7505 11.7505 13.4923 13.4923 13.4923 13.4923 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 5.6580 5.6580 5.6580 5.6580 7.1936 7.1936 7.1936 7.1936 7.3401 7.3401 7.3401 7.3401 7.7102 7.7102 7.7102 7.7102 7.9420 7.9420 7.9420 7.9420 8.1699 8.1699 8.1699 8.1699 9.9914 9.9914 9.9914 9.9914 10.7279 10.7279 10.7279 10.7279 11.7023 11.7023 11.7023 11.7023 13.5651 13.5651 13.5651 13.5651 k = 0.0000 0.2491 0.2754 ( 3540 PWs) bands (ev): -1.2200 -1.2200 -1.2200 -1.2200 0.1434 0.1434 0.1434 0.1434 5.6319 5.6319 5.6319 5.6319 7.1963 7.1963 7.1963 7.1963 7.3188 7.3188 7.3188 7.3188 7.7136 7.7136 7.7136 7.7136 7.9643 7.9643 7.9643 7.9643 8.1684 8.1684 8.1684 8.1684 9.8773 9.8773 9.8773 9.8773 10.7493 10.7493 10.7493 10.7493 11.6527 11.6527 11.6527 11.6527 13.6426 13.6426 13.6426 13.6426 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 5.6035 5.6035 5.6035 5.6035 7.1987 7.1987 7.1987 7.1987 7.2956 7.2956 7.2956 7.2956 7.7141 7.7141 7.7141 7.7141 7.9885 7.9885 7.9885 7.9885 8.1671 8.1671 8.1671 8.1671 9.7614 9.7614 9.7614 9.7614 10.7742 10.7742 10.7742 10.7742 11.6026 11.6026 11.6026 11.6026 13.7233 13.7233 13.7233 13.7233 k = 0.0000 0.2274 0.2754 ( 3536 PWs) bands (ev): -1.3446 -1.3446 -1.3446 -1.3446 0.3503 0.3503 0.3503 0.3503 5.5730 5.5730 5.5730 5.5730 7.1994 7.1994 7.1994 7.1994 7.2711 7.2711 7.2711 7.2711 7.7122 7.7122 7.7122 7.7122 8.0135 8.0135 8.0135 8.0135 8.1665 8.1665 8.1665 8.1665 9.6466 9.6466 9.6466 9.6466 10.8024 10.8024 10.8024 10.8024 11.5528 11.5528 11.5528 11.5528 13.8061 13.8061 13.8061 13.8061 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 5.5407 5.5407 5.5407 5.5407 7.1944 7.1944 7.1944 7.1944 7.2487 7.2487 7.2487 7.2487 7.7084 7.7084 7.7084 7.7084 8.0374 8.0374 8.0374 8.0374 8.1668 8.1668 8.1668 8.1668 9.5356 9.5356 9.5356 9.5356 10.8338 10.8338 10.8338 10.8338 11.5041 11.5041 11.5041 11.5041 13.8893 13.8893 13.8893 13.8893 k = 0.0000 0.2058 0.2754 ( 3536 PWs) bands (ev): -1.4585 -1.4585 -1.4585 -1.4585 0.5627 0.5627 0.5627 0.5627 5.5068 5.5068 5.5068 5.5068 7.1750 7.1750 7.1750 7.1750 7.2367 7.2367 7.2367 7.2367 7.7030 7.7030 7.7030 7.7030 8.0586 8.0586 8.0586 8.0586 8.1687 8.1687 8.1687 8.1687 9.4306 9.4306 9.4306 9.4306 10.8683 10.8683 10.8683 10.8683 11.4573 11.4573 11.4573 11.4573 13.9708 13.9708 13.9708 13.9708 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 5.4714 5.4714 5.4714 5.4714 7.1405 7.1405 7.1405 7.1405 7.2352 7.2352 7.2352 7.2352 7.6965 7.6965 7.6965 7.6965 8.0753 8.0753 8.0753 8.0753 8.1731 8.1731 8.1731 8.1731 9.3338 9.3338 9.3338 9.3338 10.9053 10.9053 10.9053 10.9053 11.4133 11.4133 11.4133 11.4133 14.0472 14.0472 14.0472 14.0472 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 5.4346 5.4346 5.4346 5.4346 7.0964 7.0964 7.0964 7.0964 7.2379 7.2379 7.2379 7.2379 7.6893 7.6893 7.6893 7.6893 8.0866 8.0866 8.0866 8.0866 8.1799 8.1799 8.1799 8.1799 9.2469 9.2469 9.2469 9.2469 10.9440 10.9440 10.9440 10.9440 11.3735 11.3735 11.3735 11.3735 14.1126 14.1126 14.1126 14.1126 k = 0.0000 0.1733 0.2754 ( 3542 PWs) bands (ev): -1.6087 -1.6087 -1.6087 -1.6087 0.8873 0.8873 0.8873 0.8873 5.3967 5.3967 5.3967 5.3967 7.0456 7.0456 7.0456 7.0456 7.2422 7.2422 7.2422 7.2422 7.6817 7.6817 7.6817 7.6817 8.0927 8.0927 8.0927 8.0927 8.1880 8.1880 8.1880 8.1880 9.1712 9.1712 9.1712 9.1712 10.9825 10.9825 10.9825 10.9825 11.3400 11.3400 11.3400 11.3400 14.1584 14.1584 14.1584 14.1584 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 5.3577 5.3577 5.3577 5.3577 6.9887 6.9887 6.9887 6.9887 7.2473 7.2473 7.2473 7.2473 7.6740 7.6740 7.6740 7.6740 8.0949 8.0949 8.0949 8.0949 8.1957 8.1957 8.1957 8.1957 9.1076 9.1076 9.1076 9.1076 11.0172 11.0172 11.0172 11.0172 11.3165 11.3165 11.3165 11.3165 14.1762 14.1762 14.1762 14.1762 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 5.3175 5.3175 5.3175 5.3175 6.9268 6.9268 6.9268 6.9268 7.2528 7.2528 7.2528 7.2528 7.6665 7.6665 7.6665 7.6665 8.0945 8.0945 8.0945 8.0945 8.2014 8.2014 8.2014 8.2014 9.0562 9.0562 9.0562 9.0562 11.0424 11.0424 11.0424 11.0424 11.3091 11.3091 11.3091 11.3091 14.1648 14.1648 14.1648 14.1648 k = 0.0000 0.1408 0.2754 ( 3546 PWs) bands (ev): -1.7337 -1.7337 -1.7337 -1.7337 1.2116 1.2116 1.2116 1.2116 5.2763 5.2763 5.2763 5.2763 6.8609 6.8609 6.8609 6.8609 7.2585 7.2585 7.2585 7.2585 7.6594 7.6594 7.6594 7.6594 8.0926 8.0926 8.0926 8.0926 8.2042 8.2042 8.2042 8.2042 9.0167 9.0167 9.0167 9.0167 11.0521 11.0521 11.0521 11.0521 11.3236 11.3236 11.3236 11.3236 14.1296 14.1296 14.1296 14.1296 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 5.2340 5.2340 5.2340 5.2340 6.7922 6.7922 6.7922 6.7922 7.2642 7.2642 7.2642 7.2642 7.6528 7.6528 7.6528 7.6528 8.0897 8.0897 8.0897 8.0897 8.2041 8.2041 8.2041 8.2041 8.9878 8.9878 8.9878 8.9878 11.0463 11.0463 11.0463 11.0463 11.3599 11.3599 11.3599 11.3599 14.0770 14.0770 14.0770 14.0770 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 5.1909 5.1909 5.1909 5.1909 6.7222 6.7222 6.7222 6.7222 7.2699 7.2699 7.2699 7.2699 7.6467 7.6467 7.6467 7.6467 8.0863 8.0863 8.0863 8.0863 8.2014 8.2014 8.2014 8.2014 8.9680 8.9680 8.9680 8.9680 11.0307 11.0307 11.0307 11.0307 11.4123 11.4123 11.4123 11.4123 14.0119 14.0119 14.0119 14.0119 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 5.1470 5.1470 5.1470 5.1470 6.6525 6.6525 6.6525 6.6525 7.2755 7.2755 7.2755 7.2755 7.6412 7.6412 7.6412 7.6412 8.0827 8.0827 8.0827 8.0827 8.1968 8.1968 8.1968 8.1968 8.9558 8.9558 8.9558 8.9558 11.0106 11.0106 11.0106 11.0106 11.4752 11.4752 11.4752 11.4752 13.9374 13.9374 13.9374 13.9374 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 5.1027 5.1027 5.1027 5.1027 6.5847 6.5847 6.5847 6.5847 7.2807 7.2807 7.2807 7.2807 7.6362 7.6362 7.6362 7.6362 8.0789 8.0789 8.0789 8.0789 8.1910 8.1910 8.1910 8.1910 8.9491 8.9491 8.9491 8.9491 10.9892 10.9892 10.9892 10.9892 11.5448 11.5448 11.5448 11.5448 13.8562 13.8562 13.8562 13.8562 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 5.0585 5.0585 5.0585 5.0585 6.5204 6.5204 6.5204 6.5204 7.2857 7.2857 7.2857 7.2857 7.6320 7.6320 7.6320 7.6320 8.0753 8.0753 8.0753 8.0753 8.1846 8.1846 8.1846 8.1846 8.9466 8.9466 8.9466 8.9466 10.9682 10.9682 10.9682 10.9682 11.6187 11.6187 11.6187 11.6187 13.7705 13.7705 13.7705 13.7705 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 5.0151 5.0151 5.0151 5.0151 6.4610 6.4610 6.4610 6.4610 7.2902 7.2902 7.2902 7.2902 7.6284 7.6284 7.6284 7.6284 8.0719 8.0719 8.0719 8.0719 8.1782 8.1782 8.1782 8.1782 8.9469 8.9469 8.9469 8.9469 10.9486 10.9486 10.9486 10.9486 11.6948 11.6948 11.6948 11.6948 13.6824 13.6824 13.6824 13.6824 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 4.9734 4.9734 4.9734 4.9734 6.4076 6.4076 6.4076 6.4076 7.2944 7.2944 7.2944 7.2944 7.6253 7.6253 7.6253 7.6253 8.0688 8.0688 8.0688 8.0688 8.1721 8.1721 8.1721 8.1721 8.9490 8.9490 8.9490 8.9490 10.9310 10.9310 10.9310 10.9310 11.7713 11.7713 11.7713 11.7713 13.5943 13.5943 13.5943 13.5943 k = 0.0000 0.0542 0.2754 ( 3530 PWs) bands (ev): -1.9416 -1.9416 -1.9416 -1.9416 1.9491 1.9491 1.9491 1.9491 4.9346 4.9346 4.9346 4.9346 6.3611 6.3611 6.3611 6.3611 7.2980 7.2980 7.2980 7.2980 7.6228 7.6228 7.6228 7.6228 8.0660 8.0660 8.0660 8.0660 8.1667 8.1667 8.1667 8.1667 8.9518 8.9518 8.9518 8.9518 10.9158 10.9158 10.9158 10.9158 11.8460 11.8460 11.8460 11.8460 13.5089 13.5089 13.5089 13.5089 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 4.9000 4.9000 4.9000 4.9000 6.3224 6.3224 6.3224 6.3224 7.3010 7.3010 7.3010 7.3010 7.6207 7.6207 7.6207 7.6207 8.0637 8.0637 8.0637 8.0637 8.1621 8.1621 8.1621 8.1621 8.9549 8.9549 8.9549 8.9549 10.9031 10.9031 10.9031 10.9031 11.9161 11.9161 11.9161 11.9161 13.4295 13.4295 13.4295 13.4295 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 4.8711 4.8711 4.8711 4.8711 6.2918 6.2918 6.2918 6.2918 7.3034 7.3034 7.3034 7.3034 7.6191 7.6191 7.6191 7.6191 8.0618 8.0618 8.0618 8.0618 8.1583 8.1583 8.1583 8.1583 8.9576 8.9576 8.9576 8.9576 10.8931 10.8931 10.8931 10.8931 11.9779 11.9779 11.9779 11.9779 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 4.8492 4.8492 4.8492 4.8492 6.2697 6.2697 6.2697 6.2697 7.3051 7.3051 7.3051 7.3051 7.6180 7.6180 7.6180 7.6180 8.0604 8.0604 8.0604 8.0604 8.1556 8.1556 8.1556 8.1556 8.9599 8.9599 8.9599 8.9599 10.8859 10.8859 10.8859 10.8859 12.0273 12.0273 12.0273 12.0273 13.3047 13.3047 13.3047 13.3047 k = 0.0000 0.0108 0.2754 ( 3538 PWs) bands (ev): -1.9764 -1.9764 -1.9764 -1.9764 2.1178 2.1178 2.1178 2.1178 4.8356 4.8356 4.8356 4.8356 6.2564 6.2564 6.2564 6.2564 7.3062 7.3062 7.3062 7.3062 7.6173 7.6173 7.6173 7.6173 8.0596 8.0596 8.0596 8.0596 8.1540 8.1540 8.1540 8.1540 8.9613 8.9613 8.9613 8.9613 10.8816 10.8816 10.8816 10.8816 12.0595 12.0595 12.0595 12.0595 13.2689 13.2689 13.2689 13.2689 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 4.8309 4.8309 4.8309 4.8309 6.2520 6.2520 6.2520 6.2520 7.3066 7.3066 7.3066 7.3066 7.6171 7.6171 7.6171 7.6171 8.0594 8.0594 8.0594 8.0594 8.1535 8.1535 8.1535 8.1535 8.9618 8.9618 8.9618 8.9618 10.8801 10.8801 10.8801 10.8801 12.0708 12.0708 12.0708 12.0708 13.2564 13.2564 13.2564 13.2564 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 7.2270 7.2270 7.2270 7.2270 7.3859 7.3859 7.3859 7.3859 7.5934 7.5934 7.5934 7.5934 8.0806 8.0806 8.0806 8.0806 8.1407 8.1407 8.1407 8.1407 10.3194 10.3194 10.3194 10.3194 11.6095 11.6095 11.6095 11.6095 13.3854 13.3854 13.3854 13.3854 13.7978 13.7978 13.7978 13.7978 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 4.0052 4.0052 4.0052 4.0052 7.2268 7.2268 7.2268 7.2268 7.3849 7.3849 7.3849 7.3849 7.5946 7.5946 7.5946 7.5946 8.0809 8.0809 8.0809 8.0809 8.1409 8.1409 8.1409 8.1409 10.3186 10.3186 10.3186 10.3186 11.6103 11.6103 11.6103 11.6103 13.3724 13.3724 13.3724 13.3724 13.7974 13.7974 13.7974 13.7974 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 7.2263 7.2263 7.2263 7.2263 7.3818 7.3818 7.3818 7.3818 7.5979 7.5979 7.5979 7.5979 8.0817 8.0817 8.0817 8.0817 8.1414 8.1414 8.1414 8.1414 10.3164 10.3164 10.3164 10.3164 11.6126 11.6126 11.6126 11.6126 13.3341 13.3341 13.3341 13.3341 13.7957 13.7957 13.7957 13.7957 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 7.2253 7.2253 7.2253 7.2253 7.3771 7.3771 7.3771 7.3771 7.6031 7.6031 7.6031 7.6031 8.0830 8.0830 8.0830 8.0830 8.1422 8.1422 8.1422 8.1422 10.3127 10.3127 10.3127 10.3127 11.6164 11.6164 11.6164 11.6164 13.2726 13.2726 13.2726 13.2726 13.7919 13.7919 13.7919 13.7919 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 7.2239 7.2239 7.2239 7.2239 7.3709 7.3709 7.3709 7.3709 7.6097 7.6097 7.6097 7.6097 8.0846 8.0846 8.0846 8.0846 8.1431 8.1431 8.1431 8.1431 10.3077 10.3077 10.3077 10.3077 11.6217 11.6217 11.6217 11.6217 13.1905 13.1905 13.1905 13.1905 13.7852 13.7852 13.7852 13.7852 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 4.1678 4.1678 4.1678 4.1678 7.2223 7.2223 7.2223 7.2223 7.3638 7.3638 7.3638 7.3638 7.6175 7.6175 7.6175 7.6175 8.0867 8.0867 8.0867 8.0867 8.1441 8.1441 8.1441 8.1441 10.3015 10.3015 10.3015 10.3015 11.6283 11.6283 11.6283 11.6283 13.0908 13.0908 13.0908 13.0908 13.7751 13.7751 13.7751 13.7751 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 7.2203 7.2203 7.2203 7.2203 7.3562 7.3562 7.3562 7.3562 7.6259 7.6259 7.6259 7.6259 8.0890 8.0890 8.0890 8.0890 8.1452 8.1452 8.1452 8.1452 10.2944 10.2944 10.2944 10.2944 11.6363 11.6363 11.6363 11.6363 12.9767 12.9767 12.9767 12.9767 13.7612 13.7612 13.7612 13.7612 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 4.3157 4.3157 4.3157 4.3157 7.2181 7.2181 7.2181 7.2181 7.3485 7.3485 7.3485 7.3485 7.6347 7.6347 7.6347 7.6347 8.0913 8.0913 8.0913 8.0913 8.1461 8.1461 8.1461 8.1461 10.2865 10.2865 10.2865 10.2865 11.6453 11.6453 11.6453 11.6453 12.8510 12.8510 12.8510 12.8510 13.7436 13.7436 13.7436 13.7436 k = 0.0000 0.3357 0.0881 ( 3552 PWs) bands (ev): -1.3892 -1.3892 -1.3892 -1.3892 0.6667 0.6667 0.6667 0.6667 4.4019 4.4019 4.4019 4.4019 7.2157 7.2157 7.2157 7.2157 7.3409 7.3409 7.3409 7.3409 7.6436 7.6436 7.6436 7.6436 8.0936 8.0936 8.0936 8.0936 8.1469 8.1469 8.1469 8.1469 10.2782 10.2782 10.2782 10.2782 11.6552 11.6552 11.6552 11.6552 12.7167 12.7167 12.7167 12.7167 13.7222 13.7222 13.7222 13.7222 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 4.4945 4.4945 4.4945 4.4945 7.2131 7.2131 7.2131 7.2131 7.3339 7.3339 7.3339 7.3339 7.6524 7.6524 7.6524 7.6524 8.0953 8.0953 8.0953 8.0953 8.1475 8.1475 8.1475 8.1475 10.2697 10.2697 10.2697 10.2697 11.6657 11.6657 11.6657 11.6657 12.5766 12.5766 12.5766 12.5766 13.6972 13.6972 13.6972 13.6972 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 4.5923 4.5923 4.5923 4.5923 7.2104 7.2104 7.2104 7.2104 7.3277 7.3277 7.3277 7.3277 7.6608 7.6608 7.6608 7.6608 8.0961 8.0961 8.0961 8.0961 8.1480 8.1480 8.1480 8.1480 10.2615 10.2615 10.2615 10.2615 11.6760 11.6760 11.6760 11.6760 12.4335 12.4335 12.4335 12.4335 13.6687 13.6687 13.6687 13.6687 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 4.6938 4.6938 4.6938 4.6938 7.2076 7.2076 7.2076 7.2076 7.3223 7.3223 7.3223 7.3223 7.6685 7.6685 7.6685 7.6685 8.0952 8.0952 8.0952 8.0952 8.1484 8.1484 8.1484 8.1484 10.2541 10.2541 10.2541 10.2541 11.6850 11.6850 11.6850 11.6850 12.2904 12.2904 12.2904 12.2904 13.6371 13.6371 13.6371 13.6371 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 4.7980 4.7980 4.7980 4.7980 7.2047 7.2047 7.2047 7.2047 7.3182 7.3182 7.3182 7.3182 7.6756 7.6756 7.6756 7.6756 8.0919 8.0919 8.0919 8.0919 8.1492 8.1492 8.1492 8.1492 10.2479 10.2479 10.2479 10.2479 11.6903 11.6903 11.6903 11.6903 12.1514 12.1514 12.1514 12.1514 13.6028 13.6028 13.6028 13.6028 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 4.9035 4.9035 4.9035 4.9035 7.2019 7.2019 7.2019 7.2019 7.3157 7.3157 7.3157 7.3157 7.6820 7.6820 7.6820 7.6820 8.0857 8.0857 8.0857 8.0857 8.1506 8.1506 8.1506 8.1506 10.2434 10.2434 10.2434 10.2434 11.6855 11.6855 11.6855 11.6855 12.0241 12.0241 12.0241 12.0241 13.5663 13.5663 13.5663 13.5663 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 5.0091 5.0091 5.0091 5.0091 7.1991 7.1991 7.1991 7.1991 7.3148 7.3148 7.3148 7.3148 7.6875 7.6875 7.6875 7.6875 8.0759 8.0759 8.0759 8.0759 8.1526 8.1526 8.1526 8.1526 10.2414 10.2414 10.2414 10.2414 11.6557 11.6557 11.6557 11.6557 11.9249 11.9249 11.9249 11.9249 13.5285 13.5285 13.5285 13.5285 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 5.1134 5.1134 5.1134 5.1134 7.1965 7.1965 7.1965 7.1965 7.3159 7.3159 7.3159 7.3159 7.6919 7.6919 7.6919 7.6919 8.0625 8.0625 8.0625 8.0625 8.1553 8.1553 8.1553 8.1553 10.2422 10.2422 10.2422 10.2422 11.5829 11.5829 11.5829 11.5829 11.8725 11.8725 11.8725 11.8725 13.4900 13.4900 13.4900 13.4900 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 5.2151 5.2151 5.2151 5.2151 7.1940 7.1940 7.1940 7.1940 7.3193 7.3193 7.3193 7.3193 7.6952 7.6952 7.6952 7.6952 8.0454 8.0454 8.0454 8.0454 8.1582 8.1582 8.1582 8.1582 10.2467 10.2467 10.2467 10.2467 11.4771 11.4771 11.4771 11.4771 11.8578 11.8578 11.8578 11.8578 13.4518 13.4518 13.4518 13.4518 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 5.3126 5.3126 5.3126 5.3126 7.1917 7.1917 7.1917 7.1917 7.3251 7.3251 7.3251 7.3251 7.6970 7.6970 7.6970 7.6970 8.0250 8.0250 8.0250 8.0250 8.1613 8.1613 8.1613 8.1613 10.2553 10.2553 10.2553 10.2553 11.3598 11.3598 11.3598 11.3598 11.8600 11.8600 11.8600 11.8600 13.4146 13.4146 13.4146 13.4146 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 5.4045 5.4045 5.4045 5.4045 7.1897 7.1897 7.1897 7.1897 7.3337 7.3337 7.3337 7.3337 7.6973 7.6973 7.6973 7.6973 8.0019 8.0019 8.0019 8.0019 8.1644 8.1644 8.1644 8.1644 10.2685 10.2685 10.2685 10.2685 11.2420 11.2420 11.2420 11.2420 11.8687 11.8687 11.8687 11.8687 13.3793 13.3793 13.3793 13.3793 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 5.4889 5.4889 5.4889 5.4889 7.1879 7.1879 7.1879 7.1879 7.3449 7.3449 7.3449 7.3449 7.6955 7.6955 7.6955 7.6955 7.9770 7.9770 7.9770 7.9770 8.1673 8.1673 8.1673 8.1673 10.2870 10.2870 10.2870 10.2870 11.1283 11.1283 11.1283 11.1283 11.8797 11.8797 11.8797 11.8797 13.3468 13.3468 13.3468 13.3468 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 5.5643 5.5643 5.5643 5.5643 7.1863 7.1863 7.1863 7.1863 7.3588 7.3588 7.3588 7.3588 7.6914 7.6914 7.6914 7.6914 7.9517 7.9517 7.9517 7.9517 8.1699 8.1699 8.1699 8.1699 10.3108 10.3108 10.3108 10.3108 11.0210 11.0210 11.0210 11.0210 11.8911 11.8911 11.8911 11.8911 13.3177 13.3177 13.3177 13.3177 k = 0.0000 0.3357 0.2314 ( 3552 PWs) bands (ev): -0.8660 -0.8660 -0.8660 -0.8660 -0.3270 -0.3270 -0.3270 -0.3270 5.6290 5.6290 5.6290 5.6290 7.1850 7.1850 7.1850 7.1850 7.3748 7.3748 7.3748 7.3748 7.6847 7.6847 7.6847 7.6847 7.9279 7.9279 7.9279 7.9279 8.1721 8.1721 8.1721 8.1721 10.3401 10.3401 10.3401 10.3401 10.9217 10.9217 10.9217 10.9217 11.9016 11.9016 11.9016 11.9016 13.2928 13.2928 13.2928 13.2928 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 5.6812 5.6812 5.6812 5.6812 7.1840 7.1840 7.1840 7.1840 7.3917 7.3917 7.3917 7.3917 7.6757 7.6757 7.6757 7.6757 7.9072 7.9072 7.9072 7.9072 8.1739 8.1739 8.1739 8.1739 10.3742 10.3742 10.3742 10.3742 10.8322 10.8322 10.8322 10.8322 11.9105 11.9105 11.9105 11.9105 13.2726 13.2726 13.2726 13.2726 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 5.7196 5.7196 5.7196 5.7196 7.1832 7.1832 7.1832 7.1832 7.4075 7.4075 7.4075 7.4075 7.6656 7.6656 7.6656 7.6656 7.8915 7.8915 7.8915 7.8915 8.1753 8.1753 8.1753 8.1753 10.4111 10.4111 10.4111 10.4111 10.7552 10.7552 10.7552 10.7552 11.9173 11.9173 11.9173 11.9173 13.2578 13.2578 13.2578 13.2578 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 5.7432 5.7432 5.7432 5.7432 7.1828 7.1828 7.1828 7.1828 7.4192 7.4192 7.4192 7.4192 7.6573 7.6573 7.6573 7.6573 7.8818 7.8818 7.8818 7.8818 8.1761 8.1761 8.1761 8.1761 10.4448 10.4448 10.4448 10.4448 10.6973 10.6973 10.6973 10.6973 11.9215 11.9215 11.9215 11.9215 13.2488 13.2488 13.2488 13.2488 k = 0.0000 0.3357 0.2754 ( 3548 PWs) bands (ev): -0.6635 -0.6635 -0.6635 -0.6635 -0.5629 -0.5629 -0.5629 -0.5629 5.7511 5.7511 5.7511 5.7511 7.1826 7.1826 7.1826 7.1826 7.4236 7.4236 7.4236 7.4236 7.6539 7.6539 7.6539 7.6539 7.8785 7.8785 7.8785 7.8785 8.1764 8.1764 8.1764 8.1764 10.4603 10.4603 10.4603 10.4603 10.6737 10.6737 10.6737 10.6737 11.9230 11.9230 11.9230 11.9230 13.2458 13.2458 13.2458 13.2458 k = 0.5000-0.0000 0.2754 ( 3528 PWs) bands (ev): 0.1464 0.1464 0.1467 0.1467 1.6948 1.6948 1.7124 1.7124 4.6434 4.6434 4.7223 4.7223 6.8693 6.8693 6.9153 6.9153 7.0465 7.0465 7.0891 7.0891 7.5980 7.5980 7.6389 7.6389 7.6606 7.6606 7.6632 7.6632 7.8580 7.8580 7.8894 7.8894 8.4175 8.4175 8.4333 8.4333 8.9595 8.9595 8.9807 8.9807 9.8912 9.8912 9.9511 9.9511 11.5269 11.5269 11.6045 11.6045 k = 0.5000-0.0000 0.2644 ( 3528 PWs) bands (ev): 0.1448 0.1448 0.1452 0.1452 1.6977 1.6977 1.7154 1.7154 4.6440 4.6440 4.7228 4.7228 6.8659 6.8659 6.9051 6.9051 7.0560 7.0560 7.0895 7.0895 7.5812 7.5812 7.6221 7.6221 7.6579 7.6579 7.7004 7.7004 7.8585 7.8585 7.8884 7.8884 8.4174 8.4174 8.4332 8.4332 8.9512 8.9512 8.9716 8.9716 9.8998 9.8998 9.9584 9.9584 11.5283 11.5283 11.6060 11.6060 k = 0.5000-0.0000 0.2534 ( 3530 PWs) bands (ev): 0.1402 0.1402 0.1405 0.1405 1.7066 1.7066 1.7242 1.7242 4.6458 4.6458 4.7243 4.7243 6.8561 6.8561 6.8802 6.8802 7.0783 7.0783 7.0902 7.0902 7.5555 7.5555 7.5816 7.5816 7.6904 7.6904 7.7359 7.7359 7.8609 7.8609 7.8852 7.8852 8.4172 8.4172 8.4329 8.4329 8.9275 8.9275 8.9456 8.9456 9.9245 9.9245 9.9796 9.9796 11.5325 11.5325 11.6103 11.6103 k = 0.5000-0.0000 0.2424 ( 3534 PWs) bands (ev): 0.1326 0.1326 0.1329 0.1329 1.7211 1.7211 1.7387 1.7387 4.6487 4.6487 4.7269 4.7269 6.8410 6.8410 6.8485 6.8485 7.0897 7.0897 7.1055 7.1055 7.5314 7.5314 7.5405 7.5405 7.7254 7.7254 7.7651 7.7651 7.8682 7.8682 7.8802 7.8802 8.4169 8.4169 8.4323 8.4323 8.8914 8.8914 8.9065 8.9065 9.9623 9.9623 10.0124 10.0124 11.5395 11.5395 11.6176 11.6176 k = 0.5000-0.0000 0.2314 ( 3534 PWs) bands (ev): 0.1223 0.1223 0.1227 0.1227 1.7409 1.7409 1.7584 1.7584 4.6530 4.6530 4.7305 4.7305 6.8139 6.8139 6.8219 6.8219 7.0862 7.0862 7.1337 7.1337 7.4988 7.4988 7.5105 7.5105 7.7600 7.7600 7.7826 7.7826 7.8744 7.8744 7.8854 7.8854 8.4164 8.4164 8.4314 8.4314 8.8466 8.8466 8.8591 8.8591 10.0097 10.0097 10.0542 10.0542 11.5493 11.5493 11.6277 11.6277 k = 0.5000-0.0000 0.2204 ( 3534 PWs) bands (ev): 0.1097 0.1097 0.1101 0.1101 1.7656 1.7656 1.7831 1.7831 4.6585 4.6585 4.7354 4.7354 6.7779 6.7779 6.8000 6.8000 7.0780 7.0780 7.1609 7.1609 7.4563 7.4563 7.4933 7.4933 7.7869 7.7869 7.7895 7.7895 7.8717 7.8717 7.9136 7.9136 8.4158 8.4158 8.4302 8.4302 8.7971 8.7971 8.8080 8.8080 10.0634 10.0634 10.1022 10.1022 11.5617 11.5617 11.6407 11.6407 k = 0.5000-0.0000 0.2093 ( 3526 PWs) bands (ev): 0.0951 0.0951 0.0955 0.0955 1.7948 1.7948 1.8121 1.8121 4.6655 4.6655 4.7415 4.7415 6.7413 6.7413 6.7763 6.7763 7.0640 7.0640 7.1858 7.1858 7.4126 7.4126 7.4794 7.4794 7.7823 7.7823 7.8026 7.8026 7.8828 7.8828 7.9485 7.9485 8.4150 8.4150 8.4287 8.4287 8.7468 8.7468 8.7572 8.7572 10.1213 10.1213 10.1546 10.1546 11.5769 11.5769 11.6564 11.6564 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 4.6740 4.6740 4.7489 4.7489 6.7044 6.7044 6.7515 6.7515 7.0432 7.0432 7.2073 7.2073 7.3675 7.3675 7.4678 7.4678 7.7724 7.7724 7.7959 7.7959 7.9113 7.9113 7.9863 7.9863 8.4142 8.4142 8.4268 8.4268 8.6985 8.6985 8.7100 8.7100 10.1817 10.1817 10.2099 10.2099 11.5947 11.5947 11.6749 11.6749 k = 0.5000-0.0000 0.1873 ( 3534 PWs) bands (ev): 0.0614 0.0614 0.0619 0.0619 1.8640 1.8640 1.8810 1.8810 4.6841 4.6841 4.7578 4.7578 6.6674 6.6674 6.7260 6.7260 7.0154 7.0154 7.2234 7.2234 7.3214 7.3214 7.4571 7.4571 7.7597 7.7597 7.7794 7.7794 7.9475 7.9475 8.0250 8.0250 8.4133 8.4133 8.4246 8.4246 8.6549 8.6549 8.6687 8.6687 10.2437 10.2437 10.2673 10.2673 11.6149 11.6149 11.6960 11.6960 k = 0.5000-0.0000 0.1763 ( 3530 PWs) bands (ev): 0.0432 0.0432 0.0437 0.0437 1.9029 1.9029 1.9197 1.9197 4.6959 4.6959 4.7682 4.7682 6.6306 6.6306 6.7004 6.7004 6.9805 6.9805 7.2265 7.2265 7.2811 7.2811 7.4457 7.4457 7.7458 7.7458 7.7599 7.7599 7.9861 7.9861 8.0635 8.0635 8.4126 8.4126 8.4224 8.4224 8.6174 8.6174 8.6346 8.6346 10.3068 10.3068 10.3263 10.3263 11.6374 11.6374 11.7197 11.7197 k = 0.5000-0.0000 0.1653 ( 3534 PWs) bands (ev): 0.0245 0.0245 0.0250 0.0250 1.9437 1.9437 1.9602 1.9602 4.7097 4.7097 4.7803 4.7803 6.5937 6.5937 6.6748 6.6748 6.9385 6.9385 7.1940 7.1940 7.2684 7.2684 7.4320 7.4320 7.7321 7.7321 7.7408 7.7408 8.0251 8.0251 8.1013 8.1013 8.4121 8.4121 8.4201 8.4201 8.5870 8.5870 8.6082 8.6082 10.3709 10.3709 10.3866 10.3866 11.6621 11.6621 11.7457 11.7457 k = 0.5000-0.0000 0.1543 ( 3536 PWs) bands (ev): 0.0057 0.0057 0.0062 0.0062 1.9860 1.9860 2.0021 2.0021 4.7254 4.7254 4.7942 4.7942 6.5566 6.5566 6.6494 6.6494 6.8897 6.8897 7.1392 7.1392 7.2699 7.2699 7.4152 7.4152 7.7198 7.7198 7.7244 7.7244 8.0638 8.0638 8.1378 8.1378 8.4123 8.4123 8.4184 8.4184 8.5636 8.5636 8.5890 8.5890 10.4360 10.4360 10.4484 10.4484 11.6887 11.6887 11.7738 11.7738 k = 0.5000-0.0000 0.1432 ( 3544 PWs) bands (ev): -0.0130 -0.0130 -0.0124 -0.0124 2.0289 2.0289 2.0447 2.0447 4.7432 4.7432 4.8100 4.8100 6.5191 6.5191 6.6238 6.6238 6.8349 6.8349 7.0776 7.0776 7.2708 7.2708 7.3953 7.3953 7.7099 7.7099 7.7119 7.7119 8.1014 8.1014 8.1725 8.1725 8.4133 8.4133 8.4172 8.4172 8.5468 8.5468 8.5759 8.5759 10.5022 10.5022 10.5118 10.5118 11.7167 11.7167 11.8037 11.8037 k = 0.5000-0.0000 0.1322 ( 3544 PWs) bands (ev): -0.0311 -0.0311 -0.0306 -0.0306 2.0720 2.0720 2.0873 2.0873 4.7633 4.7633 4.8277 4.8277 6.4808 6.4808 6.5974 6.5974 6.7756 6.7756 7.0127 7.0127 7.2693 7.2693 7.3733 7.3733 7.7027 7.7027 7.7036 7.7036 8.1377 8.1377 8.2051 8.2051 8.4152 8.4152 8.4169 8.4169 8.5359 8.5359 8.5681 8.5681 10.5699 10.5699 10.5769 10.5769 11.7456 11.7456 11.8350 11.8350 k = 0.5000-0.0000 0.1212 ( 3544 PWs) bands (ev): -0.0486 -0.0486 -0.0481 -0.0481 2.1146 2.1146 2.1292 2.1292 4.7856 4.7856 4.8474 4.8474 6.4412 6.4412 6.5682 6.5682 6.7150 6.7150 6.9468 6.9468 7.2653 7.2653 7.3507 7.3507 7.6982 7.6982 7.6989 7.6989 8.1723 8.1723 8.2351 8.2351 8.4172 8.4172 8.4179 8.4179 8.5301 8.5301 8.5645 8.5645 10.6393 10.6393 10.6441 10.6441 11.7747 11.7747 11.8669 11.8669 k = 0.5000-0.0000 0.1102 ( 3552 PWs) bands (ev): -0.0651 -0.0651 -0.0647 -0.0647 2.1560 2.1560 2.1699 2.1699 4.8101 4.8101 4.8691 4.8691 6.3998 6.3998 6.5318 6.5318 6.6587 6.6587 6.8818 6.8818 7.2596 7.2596 7.3285 7.3285 7.6958 7.6958 7.6967 7.6967 8.2048 8.2048 8.2624 8.2624 8.4181 8.4181 8.4209 8.4209 8.5287 8.5287 8.5640 8.5640 10.7109 10.7109 10.7135 10.7135 11.8028 11.8028 11.8984 11.8984 k = 0.5000-0.0000 0.0992 ( 3552 PWs) bands (ev): -0.0806 -0.0806 -0.0802 -0.0802 2.1958 2.1958 2.2088 2.2088 4.8369 4.8369 4.8926 4.8926 6.3561 6.3561 6.4825 6.4825 6.6144 6.6144 6.8199 6.8199 7.2529 7.2529 7.3077 7.3077 7.6952 7.6952 7.6964 7.6964 8.2351 8.2351 8.2868 8.2868 8.4194 8.4194 8.4240 8.4240 8.5311 8.5311 8.5660 8.5660 10.7847 10.7847 10.7855 10.7855 11.8286 11.8286 11.9281 11.9281 k = 0.5000-0.0000 0.0881 ( 3544 PWs) bands (ev): -0.0948 -0.0948 -0.0944 -0.0944 2.2333 2.2333 2.2453 2.2453 4.8656 4.8656 4.9176 4.9176 6.3099 6.3099 6.4205 6.4205 6.5838 6.5838 6.7629 6.7629 7.2458 7.2458 7.2890 7.2890 7.6958 7.6958 7.6972 7.6972 8.2628 8.2628 8.3083 8.3083 8.4209 8.4209 8.4268 8.4268 8.5366 8.5366 8.5698 8.5698 10.8602 10.8602 10.8613 10.8613 11.8498 11.8498 11.9536 11.9536 k = 0.5000-0.0000 0.0771 ( 3536 PWs) bands (ev): -0.1076 -0.1076 -0.1073 -0.1073 2.2679 2.2679 2.2789 2.2789 4.8959 4.8959 4.9438 4.9438 6.2616 6.2616 6.3518 6.3518 6.5629 6.5629 6.7122 6.7122 7.2388 7.2388 7.2724 7.2724 7.6971 7.6971 7.6986 7.6986 8.2878 8.2878 8.3268 8.3268 8.4224 8.4224 8.4290 8.4290 8.5442 8.5442 8.5746 8.5746 10.9376 10.9376 10.9407 10.9407 11.8636 11.8636 11.9711 11.9711 k = 0.5000-0.0000 0.0661 ( 3536 PWs) bands (ev): -0.1190 -0.1190 -0.1187 -0.1187 2.2992 2.2992 2.3089 2.3089 4.9272 4.9272 4.9703 4.9703 6.2121 6.2121 6.2821 6.2821 6.5479 6.5479 6.6684 6.6684 7.2322 7.2322 7.2580 7.2580 7.6988 7.6988 7.7003 7.7003 8.3100 8.3100 8.3424 8.3424 8.4239 8.4239 8.4307 8.4307 8.5532 8.5532 8.5798 8.5798 11.0179 11.0179 11.0230 11.0230 11.8663 11.8663 11.9749 11.9749 k = 0.5000-0.0000 0.0551 ( 3528 PWs) bands (ev): -0.1287 -0.1287 -0.1284 -0.1284 2.3268 2.3268 2.3351 2.3351 4.9585 4.9585 4.9964 4.9964 6.1635 6.1635 6.2156 6.2156 6.5372 6.5372 6.6317 6.6317 7.2264 7.2264 7.2460 7.2460 7.7006 7.7006 7.7020 7.7020 8.3292 8.3292 8.3552 8.3552 8.4252 8.4252 8.4318 8.4318 8.5626 8.5626 8.5850 8.5850 11.1009 11.1009 11.1084 11.1084 11.8536 11.8536 11.9579 11.9579 k = 0.5000-0.0000 0.0441 ( 3524 PWs) bands (ev): -0.1368 -0.1368 -0.1365 -0.1365 2.3501 2.3501 2.3569 2.3569 4.9888 4.9888 5.0205 5.0205 6.1180 6.1180 6.1552 6.1552 6.5301 6.5301 6.6015 6.6015 7.2217 7.2217 7.2360 7.2360 7.7023 7.7023 7.7035 7.7035 8.3454 8.3454 8.3652 8.3652 8.4265 8.4265 8.4324 8.4324 8.5716 8.5716 8.5896 8.5896 11.1864 11.1864 11.1967 11.1967 11.8226 11.8226 11.9151 11.9151 k = 0.5000-0.0000 0.0331 ( 3524 PWs) bands (ev): -0.1431 -0.1431 -0.1429 -0.1429 2.3688 2.3688 2.3740 2.3740 5.0163 5.0163 5.0412 5.0412 6.0786 6.0786 6.1037 6.1037 6.5262 6.5262 6.5774 6.5774 7.2180 7.2180 7.2281 7.2281 7.7038 7.7038 7.7047 7.7047 8.3584 8.3584 8.3727 8.3727 8.4277 8.4277 8.4326 8.4326 8.5797 8.5797 8.5931 8.5931 11.2738 11.2738 11.2877 11.2877 11.7728 11.7728 11.8486 11.8486 k = 0.5000-0.0000 0.0220 ( 3520 PWs) bands (ev): -0.1476 -0.1476 -0.1475 -0.1475 2.3826 2.3826 2.3861 2.3861 5.0394 5.0394 5.0565 5.0565 6.0484 6.0484 6.0637 6.0637 6.5255 6.5255 6.5585 6.5585 7.2158 7.2158 7.2221 7.2221 7.7049 7.7049 7.7056 7.7056 8.3683 8.3683 8.3774 8.3774 8.4288 8.4288 8.4324 8.4324 8.5864 8.5864 8.5953 8.5953 11.3623 11.3623 11.3808 11.3808 11.7075 11.7075 11.7662 11.7662 k = 0.5000-0.0000 0.0110 ( 3524 PWs) bands (ev): -0.1503 -0.1503 -0.1503 -0.1503 2.3914 2.3914 2.3931 2.3931 5.0560 5.0560 5.0648 5.0648 6.0302 6.0302 6.0373 6.0373 6.5282 6.5282 6.5443 6.5443 7.2149 7.2149 7.2180 7.2180 7.7057 7.7057 7.7060 7.7060 8.3750 8.3750 8.3795 8.3795 8.4299 8.4299 8.4318 8.4318 8.5914 8.5914 8.5958 8.5958 11.4502 11.4502 11.4738 11.4738 11.6327 11.6327 11.6759 11.6759 k = 0.5000-0.0000-0.0000 ( 3526 PWs) bands (ev): -0.1512 -0.1512 -0.1512 -0.1512 2.3949 2.3949 2.3949 2.3949 5.0647 5.0647 5.0647 5.0647 6.0261 6.0261 6.0261 6.0261 6.5344 6.5344 6.5344 6.5344 7.2156 7.2156 7.2156 7.2156 7.7061 7.7061 7.7061 7.7061 8.3787 8.3787 8.3787 8.3787 8.4309 8.4309 8.4309 8.4309 8.5945 8.5945 8.5945 8.5945 11.5255 11.5255 11.5255 11.5255 11.5931 11.5931 11.5931 11.5931 k = 0.5000 0.3357-0.0000 ( 3564 PWs) bands (ev): 0.5446 0.5446 0.5502 0.5502 1.4905 1.4905 1.4974 1.4974 5.0748 5.0748 5.0989 5.0989 5.6288 5.6288 5.7705 5.7705 6.4156 6.4156 6.5286 6.5286 7.1758 7.1758 7.2054 7.2054 7.2728 7.2728 7.5198 7.5198 8.0061 8.0061 8.0198 8.0198 8.3980 8.3980 8.4034 8.4034 8.6896 8.6896 8.6993 8.6993 10.1383 10.1383 10.2043 10.2043 14.0323 14.0323 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 5.0717 5.0717 5.0952 5.0952 5.6152 5.6152 5.7523 5.7523 6.4357 6.4357 6.5436 6.5436 7.1761 7.1761 7.2041 7.2041 7.2755 7.2755 7.5198 7.5198 8.0063 8.0063 8.0204 8.0204 8.3983 8.3983 8.4039 8.4039 8.6922 8.6922 8.7022 8.7022 10.1421 10.1421 10.2077 10.2077 14.0299 14.0299 14.2013 14.2013 k = 0.5000 0.3357 0.0220 ( 3568 PWs) bands (ev): 0.5475 0.5475 0.5531 0.5531 1.4913 1.4913 1.4981 1.4981 5.0626 5.0626 5.0839 5.0839 5.5770 5.5770 5.7036 5.7036 6.4899 6.4899 6.5860 6.5860 7.1770 7.1770 7.2012 7.2012 7.2828 7.2828 7.5199 7.5199 8.0069 8.0069 8.0220 8.0220 8.3992 8.3992 8.4053 8.4053 8.7001 8.7001 8.7109 8.7109 10.1536 10.1536 10.2180 10.2180 14.0228 14.0228 14.1935 14.1935 k = 0.5000 0.3357 0.0331 ( 3564 PWs) bands (ev): 0.5512 0.5512 0.5567 0.5567 1.4922 1.4922 1.4990 1.4990 5.0475 5.0475 5.0654 5.0654 5.5208 5.5208 5.6359 5.6359 6.5664 6.5664 6.6490 6.6490 7.1788 7.1788 7.1980 7.1980 7.2933 7.2933 7.5201 7.5201 8.0079 8.0079 8.0246 8.0246 8.4005 8.4005 8.4074 8.4074 8.7136 8.7136 8.7256 8.7256 10.1727 10.1727 10.2351 10.2351 14.0110 14.0110 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 5.0264 5.0264 5.0398 5.0398 5.4531 5.4531 5.5588 5.5588 6.6553 6.6553 6.7254 6.7254 7.1820 7.1820 7.1958 7.1958 7.3060 7.3060 7.5206 7.5206 8.0092 8.0092 8.0279 8.0279 8.4022 8.4022 8.4101 8.4101 8.7328 8.7328 8.7465 8.7465 10.1995 10.1995 10.2592 10.2592 13.9944 13.9944 14.1629 14.1629 k = 0.5000 0.3357 0.0551 ( 3556 PWs) bands (ev): 0.5627 0.5627 0.5681 0.5681 1.4951 1.4951 1.5017 1.5017 4.9995 4.9995 5.0074 5.0074 5.3795 5.3795 5.4783 5.4783 6.7497 6.7497 6.8087 6.8087 7.1872 7.1872 7.1958 7.1958 7.3200 7.3200 7.5215 7.5215 8.0109 8.0109 8.0318 8.0318 8.4041 8.4041 8.4131 8.4131 8.7580 8.7580 8.7736 8.7736 10.2341 10.2341 10.2903 10.2903 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 4.9668 4.9668 4.9689 4.9689 5.3039 5.3039 5.3977 5.3977 6.8441 6.8441 6.8929 6.8929 7.1961 7.1961 7.1993 7.1993 7.3350 7.3350 7.5232 7.5232 8.0128 8.0128 8.0360 8.0360 8.4059 8.4059 8.4163 8.4163 8.7895 8.7895 8.8070 8.8070 10.2765 10.2765 10.3284 10.3284 13.9468 13.9468 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 4.9246 4.9246 4.9285 4.9285 5.2293 5.2293 5.3194 5.3194 6.9331 6.9331 6.9713 6.9713 7.2089 7.2089 7.2118 7.2118 7.3509 7.3509 7.5263 7.5263 8.0149 8.0149 8.0402 8.0402 8.4078 8.4078 8.4193 8.4193 8.8276 8.8276 8.8471 8.8471 10.3266 10.3266 10.3736 10.3736 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 4.8755 4.8755 4.8847 4.8847 5.1578 5.1578 5.2445 5.2445 7.0090 7.0090 7.0356 7.0356 7.2293 7.2293 7.2395 7.2395 7.3688 7.3688 7.5317 7.5317 8.0175 8.0175 8.0446 8.0446 8.4096 8.4096 8.4223 8.4223 8.8727 8.8727 8.8939 8.8939 10.3844 10.3844 10.4258 10.4258 13.8792 13.8792 14.0400 14.0400 k = 0.5000 0.3357 0.0992 ( 3552 PWs) bands (ev): 0.6005 0.6005 0.6056 0.6056 1.5036 1.5036 1.5093 1.5093 4.8224 4.8224 4.8357 4.8357 5.0908 5.0908 5.1738 5.1738 7.0634 7.0634 7.0793 7.0793 7.2642 7.2642 7.2816 7.2816 7.3910 7.3910 7.5415 7.5415 8.0202 8.0202 8.0488 8.0488 8.4113 8.4113 8.4251 8.4251 8.9248 8.9248 8.9475 8.9475 10.4498 10.4498 10.4852 10.4852 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 1.5059 1.5059 1.5113 1.5113 4.7665 4.7665 4.7824 4.7824 5.0290 5.0290 5.1075 5.1075 7.0953 7.0953 7.1048 7.1048 7.3070 7.3070 7.3311 7.3311 7.4236 7.4236 7.5586 7.5586 8.0232 8.0232 8.0529 8.0529 8.4129 8.4129 8.4275 8.4275 8.9840 8.9840 9.0080 9.0080 10.5226 10.5226 10.5514 10.5514 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 4.7091 4.7091 4.7261 4.7261 4.9724 4.9724 5.0454 5.0454 7.1129 7.1129 7.1196 7.1196 7.3414 7.3414 7.3749 7.3749 7.4733 7.4733 7.5871 7.5871 8.0265 8.0265 8.0568 8.0568 8.4142 8.4142 8.4296 8.4296 9.0504 9.0504 9.0753 9.0753 10.6025 10.6025 10.6243 10.6243 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 4.6515 4.6515 4.6684 4.6684 4.9205 4.9205 4.9874 4.9874 7.1235 7.1235 7.1290 7.1290 7.3633 7.3633 7.4055 7.4055 7.5358 7.5358 7.6282 7.6282 8.0301 8.0301 8.0608 8.0608 8.4156 8.4156 8.4315 8.4315 9.1239 9.1239 9.1494 9.1494 10.6890 10.6890 10.7037 10.7037 13.6799 13.6799 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 4.5948 4.5948 4.6108 4.6108 4.8727 4.8727 4.9333 4.9333 7.1306 7.1306 7.1356 7.1356 7.3778 7.3778 7.4235 7.4235 7.6014 7.6014 7.6774 7.6774 8.0342 8.0342 8.0647 8.0647 8.4168 8.4168 8.4331 8.4331 9.2040 9.2040 9.2299 9.2299 10.7817 10.7817 10.7891 10.7891 13.6162 13.6162 13.7575 13.7575 k = 0.5000 0.3357 0.1543 ( 3532 PWs) bands (ev): 0.6664 0.6664 0.6706 0.6706 1.5141 1.5141 1.5181 1.5181 4.5400 4.5400 4.5548 4.5548 4.8287 4.8287 4.8828 4.8828 7.1361 7.1361 7.1408 7.1408 7.3884 7.3884 7.4333 7.4333 7.6643 7.6643 7.7285 7.7285 8.0388 8.0388 8.0688 8.0688 8.4180 8.4180 8.4344 8.4344 9.2900 9.2900 9.3161 9.3161 10.8799 10.8799 10.8801 10.8801 13.5473 13.5473 13.6824 13.6824 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 4.4881 4.4881 4.5014 4.5014 4.7881 4.7881 4.8360 4.8360 7.1406 7.1406 7.1450 7.1450 7.3966 7.3966 7.4384 7.4384 7.7218 7.7218 7.7769 7.7769 8.0439 8.0439 8.0733 8.0733 8.4192 8.4192 8.4355 8.4355 9.3809 9.3809 9.4070 9.4070 10.9759 10.9759 10.9829 10.9829 13.4737 13.4737 13.6015 13.6015 k = 0.5000 0.3357 0.1763 ( 3536 PWs) bands (ev): 0.6942 0.6942 0.6978 0.6978 1.5167 1.5167 1.5200 1.5200 4.4396 4.4396 4.4515 4.4515 4.7508 4.7508 4.7928 4.7928 7.1445 7.1445 7.1486 7.1486 7.4032 7.4032 7.4408 7.4408 7.7726 7.7726 7.8201 7.8201 8.0497 8.0497 8.0780 8.0780 8.4203 8.4203 8.4362 8.4362 9.4755 9.4755 9.5012 9.5012 11.0759 11.0759 11.0898 11.0898 13.3963 13.3963 13.5159 13.5159 k = 0.5000 0.3357 0.1873 ( 3532 PWs) bands (ev): 0.7075 0.7075 0.7108 0.7108 1.5176 1.5176 1.5205 1.5205 4.3953 4.3953 4.4056 4.4056 4.7170 4.7170 4.7533 4.7533 7.1480 7.1480 7.1518 7.1518 7.4086 7.4086 7.4416 7.4416 7.8163 7.8163 7.8570 7.8570 8.0563 8.0563 8.0833 8.0833 8.4215 8.4215 8.4368 8.4368 9.5718 9.5718 9.5970 9.5970 11.1790 11.1790 11.1994 11.1994 13.3163 13.3163 13.4268 13.4269 k = 0.5000 0.3357 0.1983 ( 3540 PWs) bands (ev): 0.7201 0.7201 0.7231 0.7231 1.5182 1.5182 1.5208 1.5208 4.3555 4.3555 4.3643 4.3643 4.6866 4.6866 4.7177 4.7177 7.1511 7.1511 7.1545 7.1545 7.4130 7.4130 7.4414 7.4414 7.8528 7.8528 7.8872 7.8872 8.0637 8.0637 8.0891 8.0891 8.4227 8.4227 8.4370 8.4370 9.6679 9.6679 9.6920 9.6920 11.2840 11.2840 11.3102 11.3102 13.2357 13.2357 13.3362 13.3362 k = 0.5000 0.3357 0.2093 ( 3544 PWs) bands (ev): 0.7317 0.7317 0.7343 0.7343 1.5186 1.5186 1.5208 1.5208 4.3205 4.3205 4.3280 4.3280 4.6600 4.6600 4.6861 4.6861 7.1540 7.1540 7.1570 7.1570 7.4167 7.4167 7.4406 7.4406 7.8824 7.8824 7.9109 7.9109 8.0719 8.0719 8.0951 8.0951 8.4240 8.4240 8.4370 8.4370 9.7613 9.7613 9.7839 9.7839 11.3893 11.3893 11.4202 11.4202 13.1566 13.1566 13.2462 13.2462 k = 0.5000 0.3357 0.2204 ( 3540 PWs) bands (ev): 0.7421 0.7421 0.7443 0.7443 1.5188 1.5188 1.5206 1.5206 4.2906 4.2906 4.2968 4.2968 4.6373 4.6373 4.6587 4.6587 7.1565 7.1565 7.1591 7.1591 7.4199 7.4199 7.4394 7.4394 7.9058 7.9058 7.9287 7.9287 8.0806 8.0806 8.1011 8.1011 8.4254 8.4254 8.4368 8.4368 9.8490 9.8490 9.8696 9.8696 11.4928 11.4928 11.5270 11.5270 13.0820 13.0820 13.1600 13.1600 k = 0.5000 0.3357 0.2314 ( 3540 PWs) bands (ev): 0.7510 0.7510 0.7528 0.7528 1.5188 1.5188 1.5202 1.5202 4.2661 4.2661 4.2709 4.2709 4.6188 4.6188 4.6356 4.6356 7.1587 7.1587 7.1607 7.1607 7.4226 7.4226 7.4379 7.4379 7.9236 7.9236 7.9414 7.9414 8.0892 8.0892 8.1065 8.1065 8.4268 8.4268 8.4363 8.4363 9.9281 9.9281 9.9459 9.9459 11.5915 11.5915 11.6267 11.6267 13.0153 13.0153 13.0806 13.0806 k = 0.5000 0.3357 0.2424 ( 3536 PWs) bands (ev): 0.7583 0.7583 0.7597 0.7597 1.5188 1.5188 1.5199 1.5199 4.2470 4.2470 4.2506 4.2506 4.6046 4.6046 4.6170 4.6170 7.1605 7.1605 7.1620 7.1620 7.4250 7.4250 7.4363 7.4363 7.9369 7.9369 7.9499 7.9499 8.0972 8.0972 8.1107 8.1107 8.4283 8.4283 8.4357 8.4357 9.9951 9.9951 10.0094 10.0094 11.6813 11.6813 11.7143 11.7143 12.9601 12.9601 13.0118 13.0118 k = 0.5000 0.3357 0.2534 ( 3536 PWs) bands (ev): 0.7637 0.7637 0.7646 0.7646 1.5188 1.5188 1.5195 1.5195 4.2334 4.2334 4.2358 4.2358 4.5949 4.5949 4.6031 4.6031 7.1619 7.1619 7.1629 7.1629 7.4271 7.4271 7.4346 7.4346 7.9463 7.9463 7.9548 7.9548 8.1041 8.1041 8.1134 8.1134 8.4297 8.4297 8.4348 8.4348 10.0468 10.0468 10.0568 10.0568 11.7565 11.7565 11.7829 11.7829 12.9204 12.9204 12.9567 12.9567 k = 0.5000 0.3357 0.2644 ( 3540 PWs) bands (ev): 0.7670 0.7670 0.7675 0.7675 1.5188 1.5188 1.5192 1.5192 4.2255 4.2255 4.2267 4.2267 4.5898 4.5898 4.5939 4.5939 7.1628 7.1628 7.1633 7.1633 7.4291 7.4291 7.4328 7.4328 7.9525 7.9525 7.9567 7.9567 8.1093 8.1093 8.1140 8.1140 8.4312 8.4312 8.4337 8.4337 10.0803 10.0803 10.0854 10.0854 11.8099 11.8099 11.8249 11.8249 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 4.2233 4.2233 4.2233 4.2233 4.5894 4.5894 4.5894 4.5894 7.1632 7.1632 7.1632 7.1632 7.4310 7.4310 7.4310 7.4310 7.9559 7.9559 7.9559 7.9559 8.1127 8.1127 8.1127 8.1127 8.4325 8.4325 8.4325 8.4325 10.0934 10.0934 10.0934 10.0934 11.8342 11.8342 11.8342 11.8342 12.8986 12.8986 12.8986 12.8986 Writing output data file NiSb2.save init_run : 0.35s CPU 0.46s WALL ( 1 calls) electrons : 182.34s CPU 185.13s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 182.34s CPU 185.12s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 420 calls) cegterg : 165.81s CPU 167.92s WALL ( 554 calls) Called by sum_band: Called by *egterg: h_psi : 90.87s CPU 92.47s WALL ( 9389 calls) s_psi : 9.22s CPU 9.13s WALL ( 9389 calls) g_psi : 0.21s CPU 0.25s WALL ( 8415 calls) cdiaghg : 61.54s CPU 62.49s WALL ( 8835 calls) cegterg:over : 6.34s CPU 6.28s WALL ( 8415 calls) cegterg:upda : 5.30s CPU 5.29s WALL ( 8415 calls) cegterg:last : 2.79s CPU 2.80s WALL ( 1556 calls) cdiaghg:chol : 3.50s CPU 3.52s WALL ( 8835 calls) cdiaghg:inve : 2.36s CPU 2.37s WALL ( 8835 calls) cdiaghg:para : 3.52s CPU 3.76s WALL ( 17670 calls) Called by h_psi: h_psi:vloc : 71.54s CPU 72.87s WALL ( 9389 calls) h_psi:vnl : 19.07s CPU 19.35s WALL ( 9389 calls) add_vuspsi : 10.69s CPU 10.84s WALL ( 9389 calls) General routines calbec : 8.34s CPU 8.48s WALL ( 9389 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 67.73s CPU 68.89s WALL ( 976688 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.21s WALL ( 840 calls) Parallel routines fft_scatter : 25.99s CPU 26.52s WALL ( 976711 calls) PWSCF : 3m20.35s CPU 3m39.03s WALL This run was terminated on: 20:59:43 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=