Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:17:13 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), 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: ./ZrNiH3.save/ 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 29 8 912 707 114 Max 35 30 9 915 720 117 Sum 1253 1051 313 32895 25659 4167 bravais-lattice index = 14 lattice parameter (alat) = 10.4488 a.u. unit-cell volume = 536.7486 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.448805 celldm(2)= 1.000000 celldm(3)= 0.777680 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.796210 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.796210 0.605021 0.000000 ) a(3) = ( 0.000000 0.000000 0.777680 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.316003 -0.000000 ) b(2) = ( 0.000000 1.652835 -0.000000 ) b(3) = ( 0.000000 0.000000 1.285877 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) H 1.00 1.00790 H( 1.00) Ni 10.00 58.69340 Ni( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3888398 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3888398 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 432 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 2) = ( 0.0055673 0.0165284 -0.0000000), wk = 0.0023148 k( 3) = ( 0.0111346 0.0330567 -0.0000000), wk = 0.0023148 k( 4) = ( 0.0167018 0.0495851 -0.0000000), wk = 0.0023148 k( 5) = ( 0.0222691 0.0661134 -0.0000000), wk = 0.0023148 k( 6) = ( 0.0278364 0.0826418 -0.0000000), wk = 0.0023148 k( 7) = ( 0.0334037 0.0991701 -0.0000000), wk = 0.0023148 k( 8) = ( 0.0389709 0.1156985 -0.0000000), wk = 0.0023148 k( 9) = ( 0.0445382 0.1322268 -0.0000000), wk = 0.0023148 k( 10) = ( 0.0501055 0.1487552 -0.0000000), wk = 0.0023148 k( 11) = ( 0.0556728 0.1652835 -0.0000000), wk = 0.0023148 k( 12) = ( 0.0612401 0.1818119 -0.0000000), wk = 0.0023148 k( 13) = ( 0.0668074 0.1983402 -0.0000000), wk = 0.0023148 k( 14) = ( 0.0723746 0.2148686 -0.0000000), wk = 0.0023148 k( 15) = ( 0.0779419 0.2313969 -0.0000000), wk = 0.0023148 k( 16) = ( 0.0835092 0.2479253 -0.0000000), wk = 0.0023148 k( 17) = ( 0.0890765 0.2644537 -0.0000000), wk = 0.0023148 k( 18) = ( 0.0946437 0.2809820 -0.0000000), wk = 0.0023148 k( 19) = ( 0.1002110 0.2975104 -0.0000000), wk = 0.0023148 k( 20) = ( 0.1057783 0.3140387 -0.0000000), wk = 0.0023148 k( 21) = ( 0.1113456 0.3305670 -0.0000000), wk = 0.0023148 k( 22) = ( 0.1169129 0.3470954 -0.0000000), wk = 0.0023148 k( 23) = ( 0.1224801 0.3636238 -0.0000000), wk = 0.0023148 k( 24) = ( 0.1280474 0.3801521 -0.0000000), wk = 0.0023148 k( 25) = ( 0.1336147 0.3966805 -0.0000000), wk = 0.0023148 k( 26) = ( 0.1391820 0.4132088 -0.0000000), wk = 0.0023148 k( 27) = ( 0.1447493 0.4297372 -0.0000000), wk = 0.0023148 k( 28) = ( 0.1503165 0.4462655 -0.0000000), wk = 0.0023148 k( 29) = ( 0.1558838 0.4627939 -0.0000000), wk = 0.0023148 k( 30) = ( 0.1614511 0.4793222 -0.0000000), wk = 0.0023148 k( 31) = ( 0.1670184 0.4958506 -0.0000000), wk = 0.0023148 k( 32) = ( 0.1725857 0.5123789 -0.0000000), wk = 0.0023148 k( 33) = ( 0.1781529 0.5289073 -0.0000000), wk = 0.0023148 k( 34) = ( 0.1837202 0.5454356 -0.0000000), wk = 0.0023148 k( 35) = ( 0.1892875 0.5619640 -0.0000000), wk = 0.0023148 k( 36) = ( 0.1948548 0.5784923 -0.0000000), wk = 0.0023148 k( 37) = ( 0.2004220 0.5950207 -0.0000000), wk = 0.0023148 k( 38) = ( 0.2059893 0.6115491 -0.0000000), wk = 0.0023148 k( 39) = ( 0.2115566 0.6280774 -0.0000000), wk = 0.0023148 k( 40) = ( 0.2171239 0.6446058 -0.0000000), wk = 0.0023148 k( 41) = ( 0.2226912 0.6611341 -0.0000000), wk = 0.0023148 k( 42) = ( 0.2282585 0.6776625 -0.0000000), wk = 0.0023148 k( 43) = ( 0.2338257 0.6941908 -0.0000000), wk = 0.0023148 k( 44) = ( 0.2393930 0.7107192 -0.0000000), wk = 0.0023148 k( 45) = ( 0.2449603 0.7272475 -0.0000000), wk = 0.0023148 k( 46) = ( 0.2505276 0.7437759 -0.0000000), wk = 0.0023148 k( 47) = ( 0.2560948 0.7603042 -0.0000000), wk = 0.0023148 k( 48) = ( 0.2616621 0.7768326 -0.0000000), wk = 0.0023148 k( 49) = ( 0.2672294 0.7933609 -0.0000000), wk = 0.0023148 k( 50) = ( 0.2727967 0.8098893 -0.0000000), wk = 0.0023148 k( 51) = ( 0.2783640 0.8264176 -0.0000000), wk = 0.0023148 k( 52) = ( 0.2783640 0.8264176 -0.0000000), wk = 0.0023148 k( 53) = ( 0.2609662 0.8264176 -0.0000000), wk = 0.0023148 k( 54) = ( 0.2435685 0.8264176 -0.0000000), wk = 0.0023148 k( 55) = ( 0.2261707 0.8264177 -0.0000000), wk = 0.0023148 k( 56) = ( 0.2087730 0.8264176 -0.0000000), wk = 0.0023148 k( 57) = ( 0.1913752 0.8264176 -0.0000000), wk = 0.0023148 k( 58) = ( 0.1739775 0.8264176 -0.0000000), wk = 0.0023148 k( 59) = ( 0.1565797 0.8264177 -0.0000000), wk = 0.0023148 k( 60) = ( 0.1391820 0.8264176 -0.0000000), wk = 0.0023148 k( 61) = ( 0.1217842 0.8264176 -0.0000000), wk = 0.0023148 k( 62) = ( 0.1043865 0.8264176 -0.0000000), wk = 0.0023148 k( 63) = ( 0.0869887 0.8264177 -0.0000000), wk = 0.0023148 k( 64) = ( 0.0695910 0.8264176 -0.0000000), wk = 0.0023148 k( 65) = ( 0.0521932 0.8264176 -0.0000000), wk = 0.0023148 k( 66) = ( 0.0347955 0.8264176 -0.0000000), wk = 0.0023148 k( 67) = ( 0.0173978 0.8264177 -0.0000000), wk = 0.0023148 k( 68) = ( 0.0000000 0.8264176 -0.0000000), wk = 0.0023148 k( 69) = ( 0.0000000 0.8264176 -0.0000000), wk = 0.0023148 k( 70) = ( 0.0000000 0.8264176 0.0173767), wk = 0.0023148 k( 71) = ( 0.0000000 0.8264176 0.0347534), wk = 0.0023148 k( 72) = ( 0.0000000 0.8264176 0.0521301), wk = 0.0023148 k( 73) = ( 0.0000000 0.8264176 0.0695068), wk = 0.0023148 k( 74) = ( 0.0000000 0.8264176 0.0868836), wk = 0.0023148 k( 75) = ( 0.0000000 0.8264176 0.1042603), wk = 0.0023148 k( 76) = ( 0.0000000 0.8264176 0.1216370), wk = 0.0023148 k( 77) = ( 0.0000000 0.8264176 0.1390137), wk = 0.0023148 k( 78) = ( 0.0000000 0.8264176 0.1563904), wk = 0.0023148 k( 79) = ( 0.0000000 0.8264176 0.1737671), wk = 0.0023148 k( 80) = ( 0.0000000 0.8264176 0.1911438), wk = 0.0023148 k( 81) = ( 0.0000000 0.8264176 0.2085205), wk = 0.0023148 k( 82) = ( 0.0000000 0.8264176 0.2258973), wk = 0.0023148 k( 83) = ( 0.0000000 0.8264176 0.2432740), wk = 0.0023148 k( 84) = ( 0.0000000 0.8264176 0.2606507), wk = 0.0023148 k( 85) = ( 0.0000000 0.8264176 0.2780274), wk = 0.0023148 k( 86) = ( 0.0000000 0.8264176 0.2954041), wk = 0.0023148 k( 87) = ( 0.0000000 0.8264176 0.3127808), wk = 0.0023148 k( 88) = ( 0.0000000 0.8264176 0.3301575), wk = 0.0023148 k( 89) = ( 0.0000000 0.8264176 0.3475342), wk = 0.0023148 k( 90) = ( 0.0000000 0.8264176 0.3649110), wk = 0.0023148 k( 91) = ( 0.0000000 0.8264176 0.3822877), wk = 0.0023148 k( 92) = ( 0.0000000 0.8264176 0.3996644), wk = 0.0023148 k( 93) = ( 0.0000000 0.8264176 0.4170411), wk = 0.0023148 k( 94) = ( 0.0000000 0.8264176 0.4344178), wk = 0.0023148 k( 95) = ( 0.0000000 0.8264176 0.4517945), wk = 0.0023148 k( 96) = ( 0.0000000 0.8264176 0.4691712), wk = 0.0023148 k( 97) = ( 0.0000000 0.8264176 0.4865479), wk = 0.0023148 k( 98) = ( 0.0000000 0.8264176 0.5039247), wk = 0.0023148 k( 99) = ( 0.0000000 0.8264176 0.5213014), wk = 0.0023148 k( 100) = ( 0.0000000 0.8264176 0.5386781), wk = 0.0023148 k( 101) = ( 0.0000000 0.8264176 0.5560548), wk = 0.0023148 k( 102) = ( 0.0000000 0.8264176 0.5734315), wk = 0.0023148 k( 103) = ( 0.0000000 0.8264176 0.5908082), wk = 0.0023148 k( 104) = ( 0.0000000 0.8264176 0.6081849), wk = 0.0023148 k( 105) = ( 0.0000000 0.8264176 0.6255616), wk = 0.0023148 k( 106) = ( 0.0000000 0.8264176 0.6429384), wk = 0.0023148 k( 107) = ( 0.0000000 0.8264176 0.6429384), wk = 0.0023148 k( 108) = ( 0.0173978 0.8264177 0.6429384), wk = 0.0023148 k( 109) = ( 0.0347955 0.8264176 0.6429384), wk = 0.0023148 k( 110) = ( 0.0521932 0.8264176 0.6429384), wk = 0.0023148 k( 111) = ( 0.0695910 0.8264176 0.6429384), wk = 0.0023148 k( 112) = ( 0.0869887 0.8264177 0.6429384), wk = 0.0023148 k( 113) = ( 0.1043865 0.8264176 0.6429384), wk = 0.0023148 k( 114) = ( 0.1217842 0.8264176 0.6429384), wk = 0.0023148 k( 115) = ( 0.1391820 0.8264176 0.6429384), wk = 0.0023148 k( 116) = ( 0.1565797 0.8264177 0.6429384), wk = 0.0023148 k( 117) = ( 0.1739775 0.8264176 0.6429384), wk = 0.0023148 k( 118) = ( 0.1913752 0.8264176 0.6429384), wk = 0.0023148 k( 119) = ( 0.2087730 0.8264176 0.6429384), wk = 0.0023148 k( 120) = ( 0.2261707 0.8264177 0.6429384), wk = 0.0023148 k( 121) = ( 0.2435685 0.8264176 0.6429384), wk = 0.0023148 k( 122) = ( 0.2609662 0.8264176 0.6429384), wk = 0.0023148 k( 123) = ( 0.2783640 0.8264176 0.6429384), wk = 0.0023148 k( 124) = ( 0.2783640 0.8264176 0.6429384), wk = 0.0023148 k( 125) = ( 0.2727967 0.8098893 0.6429384), wk = 0.0023148 k( 126) = ( 0.2672294 0.7933609 0.6429384), wk = 0.0023148 k( 127) = ( 0.2616621 0.7768326 0.6429384), wk = 0.0023148 k( 128) = ( 0.2560948 0.7603042 0.6429384), wk = 0.0023148 k( 129) = ( 0.2505276 0.7437759 0.6429384), wk = 0.0023148 k( 130) = ( 0.2449603 0.7272475 0.6429384), wk = 0.0023148 k( 131) = ( 0.2393930 0.7107192 0.6429384), wk = 0.0023148 k( 132) = ( 0.2338257 0.6941908 0.6429384), wk = 0.0023148 k( 133) = ( 0.2282585 0.6776625 0.6429384), wk = 0.0023148 k( 134) = ( 0.2226912 0.6611341 0.6429384), wk = 0.0023148 k( 135) = ( 0.2171239 0.6446058 0.6429384), wk = 0.0023148 k( 136) = ( 0.2115566 0.6280774 0.6429384), wk = 0.0023148 k( 137) = ( 0.2059893 0.6115491 0.6429384), wk = 0.0023148 k( 138) = ( 0.2004220 0.5950207 0.6429384), wk = 0.0023148 k( 139) = ( 0.1948548 0.5784923 0.6429384), wk = 0.0023148 k( 140) = ( 0.1892875 0.5619640 0.6429384), wk = 0.0023148 k( 141) = ( 0.1837202 0.5454356 0.6429384), wk = 0.0023148 k( 142) = ( 0.1781529 0.5289073 0.6429384), wk = 0.0023148 k( 143) = ( 0.1725857 0.5123789 0.6429384), wk = 0.0023148 k( 144) = ( 0.1670184 0.4958506 0.6429384), wk = 0.0023148 k( 145) = ( 0.1614511 0.4793222 0.6429384), wk = 0.0023148 k( 146) = ( 0.1558838 0.4627939 0.6429384), wk = 0.0023148 k( 147) = ( 0.1503165 0.4462655 0.6429384), wk = 0.0023148 k( 148) = ( 0.1447493 0.4297372 0.6429384), wk = 0.0023148 k( 149) = ( 0.1391820 0.4132088 0.6429384), wk = 0.0023148 k( 150) = ( 0.1336147 0.3966805 0.6429384), wk = 0.0023148 k( 151) = ( 0.1280474 0.3801521 0.6429384), wk = 0.0023148 k( 152) = ( 0.1224801 0.3636238 0.6429384), wk = 0.0023148 k( 153) = ( 0.1169129 0.3470954 0.6429384), wk = 0.0023148 k( 154) = ( 0.1113456 0.3305670 0.6429384), wk = 0.0023148 k( 155) = ( 0.1057783 0.3140387 0.6429384), wk = 0.0023148 k( 156) = ( 0.1002110 0.2975104 0.6429384), wk = 0.0023148 k( 157) = ( 0.0946437 0.2809820 0.6429384), wk = 0.0023148 k( 158) = ( 0.0890765 0.2644537 0.6429384), wk = 0.0023148 k( 159) = ( 0.0835092 0.2479253 0.6429384), wk = 0.0023148 k( 160) = ( 0.0779419 0.2313969 0.6429384), wk = 0.0023148 k( 161) = ( 0.0723746 0.2148686 0.6429384), wk = 0.0023148 k( 162) = ( 0.0668074 0.1983402 0.6429384), wk = 0.0023148 k( 163) = ( 0.0612401 0.1818119 0.6429384), wk = 0.0023148 k( 164) = ( 0.0556728 0.1652835 0.6429384), wk = 0.0023148 k( 165) = ( 0.0501055 0.1487552 0.6429384), wk = 0.0023148 k( 166) = ( 0.0445382 0.1322268 0.6429384), wk = 0.0023148 k( 167) = ( 0.0389709 0.1156985 0.6429384), wk = 0.0023148 k( 168) = ( 0.0334037 0.0991701 0.6429384), wk = 0.0023148 k( 169) = ( 0.0278364 0.0826418 0.6429384), wk = 0.0023148 k( 170) = ( 0.0222691 0.0661134 0.6429384), wk = 0.0023148 k( 171) = ( 0.0167018 0.0495851 0.6429384), wk = 0.0023148 k( 172) = ( 0.0111346 0.0330567 0.6429384), wk = 0.0023148 k( 173) = ( 0.0055673 0.0165284 0.6429384), wk = 0.0023148 k( 174) = ( 0.0000000 0.0000000 0.6429384), wk = 0.0023148 k( 175) = ( 0.0000000 0.0000000 0.6429384), wk = 0.0023148 k( 176) = ( 0.0000000 0.0000000 0.6255616), wk = 0.0023148 k( 177) = ( 0.0000000 0.0000000 0.6081849), wk = 0.0023148 k( 178) = ( 0.0000000 0.0000000 0.5908082), wk = 0.0023148 k( 179) = ( 0.0000000 0.0000000 0.5734315), wk = 0.0023148 k( 180) = ( 0.0000000 0.0000000 0.5560548), wk = 0.0023148 k( 181) = ( 0.0000000 0.0000000 0.5386781), wk = 0.0023148 k( 182) = ( 0.0000000 0.0000000 0.5213014), wk = 0.0023148 k( 183) = ( 0.0000000 0.0000000 0.5039247), wk = 0.0023148 k( 184) = ( 0.0000000 0.0000000 0.4865479), wk = 0.0023148 k( 185) = ( 0.0000000 0.0000000 0.4691712), wk = 0.0023148 k( 186) = ( 0.0000000 0.0000000 0.4517945), wk = 0.0023148 k( 187) = ( 0.0000000 0.0000000 0.4344178), wk = 0.0023148 k( 188) = ( 0.0000000 0.0000000 0.4170411), wk = 0.0023148 k( 189) = ( 0.0000000 0.0000000 0.3996644), wk = 0.0023148 k( 190) = ( 0.0000000 0.0000000 0.3822877), wk = 0.0023148 k( 191) = ( 0.0000000 0.0000000 0.3649110), wk = 0.0023148 k( 192) = ( 0.0000000 0.0000000 0.3475342), wk = 0.0023148 k( 193) = ( 0.0000000 0.0000000 0.3301575), wk = 0.0023148 k( 194) = ( 0.0000000 0.0000000 0.3127808), wk = 0.0023148 k( 195) = ( 0.0000000 0.0000000 0.2954041), wk = 0.0023148 k( 196) = ( 0.0000000 0.0000000 0.2780274), wk = 0.0023148 k( 197) = ( 0.0000000 0.0000000 0.2606507), wk = 0.0023148 k( 198) = ( 0.0000000 0.0000000 0.2432740), wk = 0.0023148 k( 199) = ( 0.0000000 0.0000000 0.2258973), wk = 0.0023148 k( 200) = ( 0.0000000 0.0000000 0.2085205), wk = 0.0023148 k( 201) = ( 0.0000000 0.0000000 0.1911438), wk = 0.0023148 k( 202) = ( 0.0000000 0.0000000 0.1737671), wk = 0.0023148 k( 203) = ( 0.0000000 0.0000000 0.1563904), wk = 0.0023148 k( 204) = ( 0.0000000 0.0000000 0.1390137), wk = 0.0023148 k( 205) = ( 0.0000000 0.0000000 0.1216370), wk = 0.0023148 k( 206) = ( 0.0000000 0.0000000 0.1042603), wk = 0.0023148 k( 207) = ( 0.0000000 0.0000000 0.0868836), wk = 0.0023148 k( 208) = ( 0.0000000 0.0000000 0.0695068), wk = 0.0023148 k( 209) = ( 0.0000000 0.0000000 0.0521301), wk = 0.0023148 k( 210) = ( 0.0000000 0.0000000 0.0347534), wk = 0.0023148 k( 211) = ( 0.0000000 0.0000000 0.0173767), wk = 0.0023148 k( 212) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 214) = ( -0.0166667 0.0056139 -0.0000000), wk = 0.0023148 k( 215) = ( -0.0333333 0.0112277 -0.0000000), wk = 0.0023148 k( 216) = ( -0.0500000 0.0168416 -0.0000000), wk = 0.0023148 k( 217) = ( -0.0666667 0.0224555 -0.0000000), wk = 0.0023148 k( 218) = ( -0.0833333 0.0280693 -0.0000000), wk = 0.0023148 k( 219) = ( -0.1000000 0.0336832 -0.0000000), wk = 0.0023148 k( 220) = ( -0.1166667 0.0392971 -0.0000000), wk = 0.0023148 k( 221) = ( -0.1333333 0.0449109 -0.0000000), wk = 0.0023148 k( 222) = ( -0.1500000 0.0505248 -0.0000000), wk = 0.0023148 k( 223) = ( -0.1666667 0.0561387 -0.0000000), wk = 0.0023148 k( 224) = ( -0.1833333 0.0617525 -0.0000000), wk = 0.0023148 k( 225) = ( -0.2000000 0.0673664 -0.0000000), wk = 0.0023148 k( 226) = ( -0.2166667 0.0729803 -0.0000000), wk = 0.0023148 k( 227) = ( -0.2333333 0.0785941 -0.0000000), wk = 0.0023148 k( 228) = ( -0.2500000 0.0842080 -0.0000000), wk = 0.0023148 k( 229) = ( -0.2666667 0.0898219 -0.0000000), wk = 0.0023148 k( 230) = ( -0.2833333 0.0954357 -0.0000000), wk = 0.0023148 k( 231) = ( -0.3000000 0.1010496 -0.0000000), wk = 0.0023148 k( 232) = ( -0.3166667 0.1066635 -0.0000000), wk = 0.0023148 k( 233) = ( -0.3333333 0.1122774 -0.0000000), wk = 0.0023148 k( 234) = ( -0.3500000 0.1178912 -0.0000000), wk = 0.0023148 k( 235) = ( -0.3666667 0.1235051 -0.0000000), wk = 0.0023148 k( 236) = ( -0.3833333 0.1291190 -0.0000000), wk = 0.0023148 k( 237) = ( -0.4000000 0.1347328 -0.0000000), wk = 0.0023148 k( 238) = ( -0.4166667 0.1403467 -0.0000000), wk = 0.0023148 k( 239) = ( -0.4333333 0.1459606 -0.0000000), wk = 0.0023148 k( 240) = ( -0.4500000 0.1515744 -0.0000000), wk = 0.0023148 k( 241) = ( -0.4666667 0.1571883 -0.0000000), wk = 0.0023148 k( 242) = ( -0.4833333 0.1628022 -0.0000000), wk = 0.0023148 k( 243) = ( -0.5000000 0.1684160 -0.0000000), wk = 0.0023148 k( 244) = ( -0.5000000 0.1684160 -0.0000000), wk = 0.0023148 k( 245) = ( -0.4944591 0.1848661 -0.0000000), wk = 0.0023148 k( 246) = ( -0.4889182 0.2013161 -0.0000000), wk = 0.0023148 k( 247) = ( -0.4833773 0.2177661 -0.0000000), wk = 0.0023148 k( 248) = ( -0.4778364 0.2342162 -0.0000000), wk = 0.0023148 k( 249) = ( -0.4722955 0.2506662 -0.0000000), wk = 0.0023148 k( 250) = ( -0.4667546 0.2671163 -0.0000000), wk = 0.0023148 k( 251) = ( -0.4612137 0.2835663 -0.0000000), wk = 0.0023148 k( 252) = ( -0.4556728 0.3000164 -0.0000000), wk = 0.0023148 k( 253) = ( -0.4501319 0.3164664 -0.0000000), wk = 0.0023148 k( 254) = ( -0.4445910 0.3329164 -0.0000000), wk = 0.0023148 k( 255) = ( -0.4390501 0.3493665 -0.0000000), wk = 0.0023148 k( 256) = ( -0.4335092 0.3658165 -0.0000000), wk = 0.0023148 k( 257) = ( -0.4279683 0.3822665 -0.0000000), wk = 0.0023148 k( 258) = ( -0.4224274 0.3987166 -0.0000000), wk = 0.0023148 k( 259) = ( -0.4168865 0.4151667 -0.0000000), wk = 0.0023148 k( 260) = ( -0.4113456 0.4316167 -0.0000000), wk = 0.0023148 k( 261) = ( -0.4058047 0.4480667 -0.0000000), wk = 0.0023148 k( 262) = ( -0.4002638 0.4645168 -0.0000000), wk = 0.0023148 k( 263) = ( -0.3947229 0.4809668 -0.0000000), wk = 0.0023148 k( 264) = ( -0.3891820 0.4974168 -0.0000000), wk = 0.0023148 k( 265) = ( -0.3836411 0.5138669 -0.0000000), wk = 0.0023148 k( 266) = ( -0.3781002 0.5303169 -0.0000000), wk = 0.0023148 k( 267) = ( -0.3725593 0.5467669 -0.0000000), wk = 0.0023148 k( 268) = ( -0.3670184 0.5632170 -0.0000000), wk = 0.0023148 k( 269) = ( -0.3614775 0.5796671 -0.0000000), wk = 0.0023148 k( 270) = ( -0.3559366 0.5961171 -0.0000000), wk = 0.0023148 k( 271) = ( -0.3503957 0.6125671 -0.0000000), wk = 0.0023148 k( 272) = ( -0.3448548 0.6290172 -0.0000000), wk = 0.0023148 k( 273) = ( -0.3393139 0.6454672 -0.0000000), wk = 0.0023148 k( 274) = ( -0.3337730 0.6619172 -0.0000000), wk = 0.0023148 k( 275) = ( -0.3282321 0.6783673 -0.0000000), wk = 0.0023148 k( 276) = ( -0.3226912 0.6948173 -0.0000000), wk = 0.0023148 k( 277) = ( -0.3171503 0.7112674 -0.0000000), wk = 0.0023148 k( 278) = ( -0.3116094 0.7277174 -0.0000000), wk = 0.0023148 k( 279) = ( -0.3060685 0.7441675 -0.0000000), wk = 0.0023148 k( 280) = ( -0.3005276 0.7606175 -0.0000000), wk = 0.0023148 k( 281) = ( -0.2949867 0.7770675 -0.0000000), wk = 0.0023148 k( 282) = ( -0.2894458 0.7935176 -0.0000000), wk = 0.0023148 k( 283) = ( -0.2839049 0.8099676 -0.0000000), wk = 0.0023148 k( 284) = ( -0.2783640 0.8264176 -0.0000000), wk = 0.0023148 k( 285) = ( -0.2783640 0.8264176 -0.0000000), wk = 0.0023148 k( 286) = ( -0.2783640 0.8264176 0.0173767), wk = 0.0023148 k( 287) = ( -0.2783640 0.8264176 0.0347534), wk = 0.0023148 k( 288) = ( -0.2783640 0.8264176 0.0521301), wk = 0.0023148 k( 289) = ( -0.2783640 0.8264176 0.0695068), wk = 0.0023148 k( 290) = ( -0.2783640 0.8264176 0.0868836), wk = 0.0023148 k( 291) = ( -0.2783640 0.8264176 0.1042603), wk = 0.0023148 k( 292) = ( -0.2783640 0.8264176 0.1216370), wk = 0.0023148 k( 293) = ( -0.2783640 0.8264176 0.1390137), wk = 0.0023148 k( 294) = ( -0.2783640 0.8264176 0.1563904), wk = 0.0023148 k( 295) = ( -0.2783640 0.8264176 0.1737671), wk = 0.0023148 k( 296) = ( -0.2783640 0.8264176 0.1911438), wk = 0.0023148 k( 297) = ( -0.2783640 0.8264176 0.2085205), wk = 0.0023148 k( 298) = ( -0.2783640 0.8264176 0.2258973), wk = 0.0023148 k( 299) = ( -0.2783640 0.8264176 0.2432740), wk = 0.0023148 k( 300) = ( -0.2783640 0.8264176 0.2606507), wk = 0.0023148 k( 301) = ( -0.2783640 0.8264176 0.2780274), wk = 0.0023148 k( 302) = ( -0.2783640 0.8264176 0.2954041), wk = 0.0023148 k( 303) = ( -0.2783640 0.8264176 0.3127808), wk = 0.0023148 k( 304) = ( -0.2783640 0.8264176 0.3301575), wk = 0.0023148 k( 305) = ( -0.2783640 0.8264176 0.3475342), wk = 0.0023148 k( 306) = ( -0.2783640 0.8264176 0.3649110), wk = 0.0023148 k( 307) = ( -0.2783640 0.8264176 0.3822877), wk = 0.0023148 k( 308) = ( -0.2783640 0.8264176 0.3996644), wk = 0.0023148 k( 309) = ( -0.2783640 0.8264176 0.4170411), wk = 0.0023148 k( 310) = ( -0.2783640 0.8264176 0.4344178), wk = 0.0023148 k( 311) = ( -0.2783640 0.8264176 0.4517945), wk = 0.0023148 k( 312) = ( -0.2783640 0.8264176 0.4691712), wk = 0.0023148 k( 313) = ( -0.2783640 0.8264176 0.4865479), wk = 0.0023148 k( 314) = ( -0.2783640 0.8264176 0.5039247), wk = 0.0023148 k( 315) = ( -0.2783640 0.8264176 0.5213014), wk = 0.0023148 k( 316) = ( -0.2783640 0.8264176 0.5386781), wk = 0.0023148 k( 317) = ( -0.2783640 0.8264176 0.5560548), wk = 0.0023148 k( 318) = ( -0.2783640 0.8264176 0.5734315), wk = 0.0023148 k( 319) = ( -0.2783640 0.8264176 0.5908082), wk = 0.0023148 k( 320) = ( -0.2783640 0.8264176 0.6081849), wk = 0.0023148 k( 321) = ( -0.2783640 0.8264176 0.6255616), wk = 0.0023148 k( 322) = ( -0.2783640 0.8264176 0.6429384), wk = 0.0023148 k( 323) = ( -0.2783640 0.8264176 0.6429384), wk = 0.0023148 k( 324) = ( -0.2839049 0.8099676 0.6429384), wk = 0.0023148 k( 325) = ( -0.2894458 0.7935176 0.6429384), wk = 0.0023148 k( 326) = ( -0.2949867 0.7770675 0.6429384), wk = 0.0023148 k( 327) = ( -0.3005276 0.7606175 0.6429384), wk = 0.0023148 k( 328) = ( -0.3060685 0.7441675 0.6429384), wk = 0.0023148 k( 329) = ( -0.3116094 0.7277174 0.6429384), wk = 0.0023148 k( 330) = ( -0.3171503 0.7112674 0.6429384), wk = 0.0023148 k( 331) = ( -0.3226912 0.6948173 0.6429384), wk = 0.0023148 k( 332) = ( -0.3282321 0.6783673 0.6429384), wk = 0.0023148 k( 333) = ( -0.3337730 0.6619172 0.6429384), wk = 0.0023148 k( 334) = ( -0.3393139 0.6454672 0.6429384), wk = 0.0023148 k( 335) = ( -0.3448548 0.6290172 0.6429384), wk = 0.0023148 k( 336) = ( -0.3503957 0.6125671 0.6429384), wk = 0.0023148 k( 337) = ( -0.3559366 0.5961171 0.6429384), wk = 0.0023148 k( 338) = ( -0.3614775 0.5796671 0.6429384), wk = 0.0023148 k( 339) = ( -0.3670184 0.5632170 0.6429384), wk = 0.0023148 k( 340) = ( -0.3725593 0.5467669 0.6429384), wk = 0.0023148 k( 341) = ( -0.3781002 0.5303169 0.6429384), wk = 0.0023148 k( 342) = ( -0.3836411 0.5138669 0.6429384), wk = 0.0023148 k( 343) = ( -0.3891820 0.4974168 0.6429384), wk = 0.0023148 k( 344) = ( -0.3947229 0.4809668 0.6429384), wk = 0.0023148 k( 345) = ( -0.4002638 0.4645168 0.6429384), wk = 0.0023148 k( 346) = ( -0.4058047 0.4480667 0.6429384), wk = 0.0023148 k( 347) = ( -0.4113456 0.4316167 0.6429384), wk = 0.0023148 k( 348) = ( -0.4168865 0.4151667 0.6429384), wk = 0.0023148 k( 349) = ( -0.4224274 0.3987166 0.6429384), wk = 0.0023148 k( 350) = ( -0.4279683 0.3822665 0.6429384), wk = 0.0023148 k( 351) = ( -0.4335092 0.3658165 0.6429384), wk = 0.0023148 k( 352) = ( -0.4390501 0.3493665 0.6429384), wk = 0.0023148 k( 353) = ( -0.4445910 0.3329164 0.6429384), wk = 0.0023148 k( 354) = ( -0.4501319 0.3164664 0.6429384), wk = 0.0023148 k( 355) = ( -0.4556728 0.3000164 0.6429384), wk = 0.0023148 k( 356) = ( -0.4612137 0.2835663 0.6429384), wk = 0.0023148 k( 357) = ( -0.4667546 0.2671163 0.6429384), wk = 0.0023148 k( 358) = ( -0.4722955 0.2506662 0.6429384), wk = 0.0023148 k( 359) = ( -0.4778364 0.2342162 0.6429384), wk = 0.0023148 k( 360) = ( -0.4833773 0.2177661 0.6429384), wk = 0.0023148 k( 361) = ( -0.4889182 0.2013161 0.6429384), wk = 0.0023148 k( 362) = ( -0.4944591 0.1848661 0.6429384), wk = 0.0023148 k( 363) = ( -0.5000000 0.1684160 0.6429384), wk = 0.0023148 k( 364) = ( -0.5000000 0.1684160 0.6429384), wk = 0.0023148 k( 365) = ( -0.5000000 0.1684160 0.6255616), wk = 0.0023148 k( 366) = ( -0.5000000 0.1684160 0.6081849), wk = 0.0023148 k( 367) = ( -0.5000000 0.1684160 0.5908082), wk = 0.0023148 k( 368) = ( -0.5000000 0.1684160 0.5734315), wk = 0.0023148 k( 369) = ( -0.5000000 0.1684160 0.5560548), wk = 0.0023148 k( 370) = ( -0.5000000 0.1684160 0.5386781), wk = 0.0023148 k( 371) = ( -0.5000000 0.1684160 0.5213014), wk = 0.0023148 k( 372) = ( -0.5000000 0.1684160 0.5039247), wk = 0.0023148 k( 373) = ( -0.5000000 0.1684160 0.4865479), wk = 0.0023148 k( 374) = ( -0.5000000 0.1684160 0.4691712), wk = 0.0023148 k( 375) = ( -0.5000000 0.1684160 0.4517945), wk = 0.0023148 k( 376) = ( -0.5000000 0.1684160 0.4344178), wk = 0.0023148 k( 377) = ( -0.5000000 0.1684160 0.4170411), wk = 0.0023148 k( 378) = ( -0.5000000 0.1684160 0.3996644), wk = 0.0023148 k( 379) = ( -0.5000000 0.1684160 0.3822877), wk = 0.0023148 k( 380) = ( -0.5000000 0.1684160 0.3649110), wk = 0.0023148 k( 381) = ( -0.5000000 0.1684160 0.3475342), wk = 0.0023148 k( 382) = ( -0.5000000 0.1684160 0.3301575), wk = 0.0023148 k( 383) = ( -0.5000000 0.1684160 0.3127808), wk = 0.0023148 k( 384) = ( -0.5000000 0.1684160 0.2954041), wk = 0.0023148 k( 385) = ( -0.5000000 0.1684160 0.2780274), wk = 0.0023148 k( 386) = ( -0.5000000 0.1684160 0.2606507), wk = 0.0023148 k( 387) = ( -0.5000000 0.1684160 0.2432740), wk = 0.0023148 k( 388) = ( -0.5000000 0.1684160 0.2258973), wk = 0.0023148 k( 389) = ( -0.5000000 0.1684160 0.2085205), wk = 0.0023148 k( 390) = ( -0.5000000 0.1684160 0.1911438), wk = 0.0023148 k( 391) = ( -0.5000000 0.1684160 0.1737671), wk = 0.0023148 k( 392) = ( -0.5000000 0.1684160 0.1563904), wk = 0.0023148 k( 393) = ( -0.5000000 0.1684160 0.1390137), wk = 0.0023148 k( 394) = ( -0.5000000 0.1684160 0.1216370), wk = 0.0023148 k( 395) = ( -0.5000000 0.1684160 0.1042603), wk = 0.0023148 k( 396) = ( -0.5000000 0.1684160 0.0868836), wk = 0.0023148 k( 397) = ( -0.5000000 0.1684160 0.0695068), wk = 0.0023148 k( 398) = ( -0.5000000 0.1684160 0.0521301), wk = 0.0023148 k( 399) = ( -0.5000000 0.1684160 0.0347534), wk = 0.0023148 k( 400) = ( -0.5000000 0.1684160 0.0173767), wk = 0.0023148 k( 401) = ( -0.5000000 0.1684160 -0.0000000), wk = 0.0023148 k( 402) = ( 0.0000000 0.0000000 0.6429384), wk = 0.0023148 k( 403) = ( -0.0166667 0.0056139 0.6429384), wk = 0.0023148 k( 404) = ( -0.0333333 0.0112277 0.6429384), wk = 0.0023148 k( 405) = ( -0.0500000 0.0168416 0.6429384), wk = 0.0023148 k( 406) = ( -0.0666667 0.0224555 0.6429384), wk = 0.0023148 k( 407) = ( -0.0833333 0.0280693 0.6429384), wk = 0.0023148 k( 408) = ( -0.1000000 0.0336832 0.6429384), wk = 0.0023148 k( 409) = ( -0.1166667 0.0392971 0.6429384), wk = 0.0023148 k( 410) = ( -0.1333333 0.0449109 0.6429384), wk = 0.0023148 k( 411) = ( -0.1500000 0.0505248 0.6429384), wk = 0.0023148 k( 412) = ( -0.1666667 0.0561387 0.6429384), wk = 0.0023148 k( 413) = ( -0.1833333 0.0617525 0.6429384), wk = 0.0023148 k( 414) = ( -0.2000000 0.0673664 0.6429384), wk = 0.0023148 k( 415) = ( -0.2166667 0.0729803 0.6429384), wk = 0.0023148 k( 416) = ( -0.2333333 0.0785941 0.6429384), wk = 0.0023148 k( 417) = ( -0.2500000 0.0842080 0.6429384), wk = 0.0023148 k( 418) = ( -0.2666667 0.0898219 0.6429384), wk = 0.0023148 k( 419) = ( -0.2833333 0.0954357 0.6429384), wk = 0.0023148 k( 420) = ( -0.3000000 0.1010496 0.6429384), wk = 0.0023148 k( 421) = ( -0.3166667 0.1066635 0.6429384), wk = 0.0023148 k( 422) = ( -0.3333333 0.1122774 0.6429384), wk = 0.0023148 k( 423) = ( -0.3500000 0.1178912 0.6429384), wk = 0.0023148 k( 424) = ( -0.3666667 0.1235051 0.6429384), wk = 0.0023148 k( 425) = ( -0.3833333 0.1291190 0.6429384), wk = 0.0023148 k( 426) = ( -0.4000000 0.1347328 0.6429384), wk = 0.0023148 k( 427) = ( -0.4166667 0.1403467 0.6429384), wk = 0.0023148 k( 428) = ( -0.4333333 0.1459606 0.6429384), wk = 0.0023148 k( 429) = ( -0.4500000 0.1515744 0.6429384), wk = 0.0023148 k( 430) = ( -0.4666667 0.1571883 0.6429384), wk = 0.0023148 k( 431) = ( -0.4833333 0.1628022 0.6429384), wk = 0.0023148 k( 432) = ( -0.5000000 0.1684160 0.6429384), wk = 0.0023148 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 2) = ( 0.0055673 0.0055673 -0.0000000), wk = 0.0023148 k( 3) = ( 0.0111346 0.0111346 -0.0000000), wk = 0.0023148 k( 4) = ( 0.0167018 0.0167018 -0.0000000), wk = 0.0023148 k( 5) = ( 0.0222691 0.0222691 -0.0000000), wk = 0.0023148 k( 6) = ( 0.0278364 0.0278364 0.0000000), wk = 0.0023148 k( 7) = ( 0.0334037 0.0334037 -0.0000000), wk = 0.0023148 k( 8) = ( 0.0389709 0.0389710 0.0000000), wk = 0.0023148 k( 9) = ( 0.0445382 0.0445382 0.0000000), wk = 0.0023148 k( 10) = ( 0.0501055 0.0501055 0.0000000), wk = 0.0023148 k( 11) = ( 0.0556728 0.0556728 0.0000000), wk = 0.0023148 k( 12) = ( 0.0612401 0.0612401 -0.0000000), wk = 0.0023148 k( 13) = ( 0.0668074 0.0668074 0.0000000), wk = 0.0023148 k( 14) = ( 0.0723746 0.0723746 -0.0000000), wk = 0.0023148 k( 15) = ( 0.0779419 0.0779419 -0.0000000), wk = 0.0023148 k( 16) = ( 0.0835092 0.0835092 -0.0000000), wk = 0.0023148 k( 17) = ( 0.0890765 0.0890765 0.0000000), wk = 0.0023148 k( 18) = ( 0.0946437 0.0946438 0.0000000), wk = 0.0023148 k( 19) = ( 0.1002110 0.1002110 -0.0000000), wk = 0.0023148 k( 20) = ( 0.1057783 0.1057783 -0.0000000), wk = 0.0023148 k( 21) = ( 0.1113456 0.1113456 0.0000000), wk = 0.0023148 k( 22) = ( 0.1169129 0.1169129 -0.0000000), wk = 0.0023148 k( 23) = ( 0.1224801 0.1224801 -0.0000000), wk = 0.0023148 k( 24) = ( 0.1280474 0.1280474 0.0000000), wk = 0.0023148 k( 25) = ( 0.1336147 0.1336147 0.0000000), wk = 0.0023148 k( 26) = ( 0.1391820 0.1391820 -0.0000000), wk = 0.0023148 k( 27) = ( 0.1447493 0.1447493 -0.0000000), wk = 0.0023148 k( 28) = ( 0.1503165 0.1503165 -0.0000000), wk = 0.0023148 k( 29) = ( 0.1558838 0.1558838 -0.0000000), wk = 0.0023148 k( 30) = ( 0.1614511 0.1614511 -0.0000000), wk = 0.0023148 k( 31) = ( 0.1670184 0.1670184 -0.0000000), wk = 0.0023148 k( 32) = ( 0.1725857 0.1725857 0.0000000), wk = 0.0023148 k( 33) = ( 0.1781529 0.1781529 0.0000000), wk = 0.0023148 k( 34) = ( 0.1837202 0.1837202 0.0000000), wk = 0.0023148 k( 35) = ( 0.1892875 0.1892875 -0.0000000), wk = 0.0023148 k( 36) = ( 0.1948548 0.1948548 0.0000000), wk = 0.0023148 k( 37) = ( 0.2004220 0.2004221 0.0000000), wk = 0.0023148 k( 38) = ( 0.2059893 0.2059893 0.0000000), wk = 0.0023148 k( 39) = ( 0.2115566 0.2115566 0.0000000), wk = 0.0023148 k( 40) = ( 0.2171239 0.2171239 -0.0000000), wk = 0.0023148 k( 41) = ( 0.2226912 0.2226912 -0.0000000), wk = 0.0023148 k( 42) = ( 0.2282585 0.2282585 0.0000000), wk = 0.0023148 k( 43) = ( 0.2338257 0.2338257 0.0000000), wk = 0.0023148 k( 44) = ( 0.2393930 0.2393930 -0.0000000), wk = 0.0023148 k( 45) = ( 0.2449603 0.2449603 -0.0000000), wk = 0.0023148 k( 46) = ( 0.2505276 0.2505276 0.0000000), wk = 0.0023148 k( 47) = ( 0.2560948 0.2560948 0.0000000), wk = 0.0023148 k( 48) = ( 0.2616621 0.2616621 -0.0000000), wk = 0.0023148 k( 49) = ( 0.2672294 0.2672294 0.0000000), wk = 0.0023148 k( 50) = ( 0.2727967 0.2727967 -0.0000000), wk = 0.0023148 k( 51) = ( 0.2783640 0.2783640 -0.0000000), wk = 0.0023148 k( 52) = ( 0.2783640 0.2783640 -0.0000000), wk = 0.0023148 k( 53) = ( 0.2609662 0.2922162 -0.0000000), wk = 0.0023148 k( 54) = ( 0.2435685 0.3060685 0.0000000), wk = 0.0023148 k( 55) = ( 0.2261707 0.3199207 0.0000000), wk = 0.0023148 k( 56) = ( 0.2087730 0.3337730 0.0000000), wk = 0.0023148 k( 57) = ( 0.1913752 0.3476252 0.0000000), wk = 0.0023148 k( 58) = ( 0.1739775 0.3614775 -0.0000000), wk = 0.0023148 k( 59) = ( 0.1565797 0.3753297 0.0000000), wk = 0.0023148 k( 60) = ( 0.1391820 0.3891820 -0.0000000), wk = 0.0023148 k( 61) = ( 0.1217842 0.4030342 0.0000000), wk = 0.0023148 k( 62) = ( 0.1043865 0.4168865 0.0000000), wk = 0.0023148 k( 63) = ( 0.0869887 0.4307387 -0.0000000), wk = 0.0023148 k( 64) = ( 0.0695910 0.4445910 -0.0000000), wk = 0.0023148 k( 65) = ( 0.0521932 0.4584432 -0.0000000), wk = 0.0023148 k( 66) = ( 0.0347955 0.4722955 0.0000000), wk = 0.0023148 k( 67) = ( 0.0173978 0.4861477 -0.0000000), wk = 0.0023148 k( 68) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023148 k( 69) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023148 k( 70) = ( 0.0000000 0.5000000 0.0135135), wk = 0.0023148 k( 71) = ( 0.0000000 0.5000000 0.0270270), wk = 0.0023148 k( 72) = ( 0.0000000 0.5000000 0.0405405), wk = 0.0023148 k( 73) = ( 0.0000000 0.5000000 0.0540541), wk = 0.0023148 k( 74) = ( 0.0000000 0.5000000 0.0675676), wk = 0.0023148 k( 75) = ( 0.0000000 0.5000000 0.0810811), wk = 0.0023148 k( 76) = ( 0.0000000 0.5000000 0.0945946), wk = 0.0023148 k( 77) = ( 0.0000000 0.5000000 0.1081081), wk = 0.0023148 k( 78) = ( 0.0000000 0.5000000 0.1216216), wk = 0.0023148 k( 79) = ( 0.0000000 0.5000000 0.1351351), wk = 0.0023148 k( 80) = ( 0.0000000 0.5000000 0.1486486), wk = 0.0023148 k( 81) = ( 0.0000000 0.5000000 0.1621622), wk = 0.0023148 k( 82) = ( 0.0000000 0.5000000 0.1756757), wk = 0.0023148 k( 83) = ( 0.0000000 0.5000000 0.1891892), wk = 0.0023148 k( 84) = ( 0.0000000 0.5000000 0.2027027), wk = 0.0023148 k( 85) = ( 0.0000000 0.5000000 0.2162162), wk = 0.0023148 k( 86) = ( 0.0000000 0.5000000 0.2297297), wk = 0.0023148 k( 87) = ( 0.0000000 0.5000000 0.2432432), wk = 0.0023148 k( 88) = ( 0.0000000 0.5000000 0.2567568), wk = 0.0023148 k( 89) = ( 0.0000000 0.5000000 0.2702703), wk = 0.0023148 k( 90) = ( 0.0000000 0.5000000 0.2837838), wk = 0.0023148 k( 91) = ( 0.0000000 0.5000000 0.2972973), wk = 0.0023148 k( 92) = ( 0.0000000 0.5000000 0.3108108), wk = 0.0023148 k( 93) = ( 0.0000000 0.5000000 0.3243243), wk = 0.0023148 k( 94) = ( 0.0000000 0.5000000 0.3378378), wk = 0.0023148 k( 95) = ( 0.0000000 0.5000000 0.3513514), wk = 0.0023148 k( 96) = ( 0.0000000 0.5000000 0.3648649), wk = 0.0023148 k( 97) = ( 0.0000000 0.5000000 0.3783784), wk = 0.0023148 k( 98) = ( 0.0000000 0.5000000 0.3918919), wk = 0.0023148 k( 99) = ( 0.0000000 0.5000000 0.4054054), wk = 0.0023148 k( 100) = ( 0.0000000 0.5000000 0.4189189), wk = 0.0023148 k( 101) = ( 0.0000000 0.5000000 0.4324324), wk = 0.0023148 k( 102) = ( 0.0000000 0.5000000 0.4459459), wk = 0.0023148 k( 103) = ( 0.0000000 0.5000000 0.4594595), wk = 0.0023148 k( 104) = ( 0.0000000 0.5000000 0.4729730), wk = 0.0023148 k( 105) = ( 0.0000000 0.5000000 0.4864865), wk = 0.0023148 k( 106) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023148 k( 107) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023148 k( 108) = ( 0.0173978 0.4861477 0.5000000), wk = 0.0023148 k( 109) = ( 0.0347955 0.4722955 0.5000000), wk = 0.0023148 k( 110) = ( 0.0521932 0.4584432 0.5000000), wk = 0.0023148 k( 111) = ( 0.0695910 0.4445910 0.5000000), wk = 0.0023148 k( 112) = ( 0.0869887 0.4307387 0.5000000), wk = 0.0023148 k( 113) = ( 0.1043865 0.4168865 0.5000000), wk = 0.0023148 k( 114) = ( 0.1217842 0.4030342 0.5000000), wk = 0.0023148 k( 115) = ( 0.1391820 0.3891820 0.5000000), wk = 0.0023148 k( 116) = ( 0.1565797 0.3753297 0.5000000), wk = 0.0023148 k( 117) = ( 0.1739775 0.3614775 0.5000000), wk = 0.0023148 k( 118) = ( 0.1913752 0.3476252 0.5000000), wk = 0.0023148 k( 119) = ( 0.2087730 0.3337730 0.5000000), wk = 0.0023148 k( 120) = ( 0.2261707 0.3199207 0.5000000), wk = 0.0023148 k( 121) = ( 0.2435685 0.3060685 0.5000000), wk = 0.0023148 k( 122) = ( 0.2609662 0.2922162 0.5000000), wk = 0.0023148 k( 123) = ( 0.2783640 0.2783640 0.5000000), wk = 0.0023148 k( 124) = ( 0.2783640 0.2783640 0.5000000), wk = 0.0023148 k( 125) = ( 0.2727967 0.2727967 0.5000000), wk = 0.0023148 k( 126) = ( 0.2672294 0.2672294 0.5000000), wk = 0.0023148 k( 127) = ( 0.2616621 0.2616621 0.5000000), wk = 0.0023148 k( 128) = ( 0.2560948 0.2560948 0.5000000), wk = 0.0023148 k( 129) = ( 0.2505276 0.2505276 0.5000000), wk = 0.0023148 k( 130) = ( 0.2449603 0.2449603 0.5000000), wk = 0.0023148 k( 131) = ( 0.2393930 0.2393930 0.5000000), wk = 0.0023148 k( 132) = ( 0.2338257 0.2338257 0.5000000), wk = 0.0023148 k( 133) = ( 0.2282585 0.2282585 0.5000000), wk = 0.0023148 k( 134) = ( 0.2226912 0.2226912 0.5000000), wk = 0.0023148 k( 135) = ( 0.2171239 0.2171239 0.5000000), wk = 0.0023148 k( 136) = ( 0.2115566 0.2115566 0.5000000), wk = 0.0023148 k( 137) = ( 0.2059893 0.2059893 0.5000000), wk = 0.0023148 k( 138) = ( 0.2004220 0.2004221 0.5000000), wk = 0.0023148 k( 139) = ( 0.1948548 0.1948548 0.5000000), wk = 0.0023148 k( 140) = ( 0.1892875 0.1892875 0.5000000), wk = 0.0023148 k( 141) = ( 0.1837202 0.1837202 0.5000000), wk = 0.0023148 k( 142) = ( 0.1781529 0.1781529 0.5000000), wk = 0.0023148 k( 143) = ( 0.1725857 0.1725857 0.5000000), wk = 0.0023148 k( 144) = ( 0.1670184 0.1670184 0.5000000), wk = 0.0023148 k( 145) = ( 0.1614511 0.1614511 0.5000000), wk = 0.0023148 k( 146) = ( 0.1558838 0.1558838 0.5000000), wk = 0.0023148 k( 147) = ( 0.1503165 0.1503165 0.5000000), wk = 0.0023148 k( 148) = ( 0.1447493 0.1447493 0.5000000), wk = 0.0023148 k( 149) = ( 0.1391820 0.1391820 0.5000000), wk = 0.0023148 k( 150) = ( 0.1336147 0.1336147 0.5000000), wk = 0.0023148 k( 151) = ( 0.1280474 0.1280474 0.5000000), wk = 0.0023148 k( 152) = ( 0.1224801 0.1224801 0.5000000), wk = 0.0023148 k( 153) = ( 0.1169129 0.1169129 0.5000000), wk = 0.0023148 k( 154) = ( 0.1113456 0.1113456 0.5000000), wk = 0.0023148 k( 155) = ( 0.1057783 0.1057783 0.5000000), wk = 0.0023148 k( 156) = ( 0.1002110 0.1002110 0.5000000), wk = 0.0023148 k( 157) = ( 0.0946437 0.0946438 0.5000000), wk = 0.0023148 k( 158) = ( 0.0890765 0.0890765 0.5000000), wk = 0.0023148 k( 159) = ( 0.0835092 0.0835092 0.5000000), wk = 0.0023148 k( 160) = ( 0.0779419 0.0779419 0.5000000), wk = 0.0023148 k( 161) = ( 0.0723746 0.0723746 0.5000000), wk = 0.0023148 k( 162) = ( 0.0668074 0.0668074 0.5000000), wk = 0.0023148 k( 163) = ( 0.0612401 0.0612401 0.5000000), wk = 0.0023148 k( 164) = ( 0.0556728 0.0556728 0.5000000), wk = 0.0023148 k( 165) = ( 0.0501055 0.0501055 0.5000000), wk = 0.0023148 k( 166) = ( 0.0445382 0.0445382 0.5000000), wk = 0.0023148 k( 167) = ( 0.0389709 0.0389710 0.5000000), wk = 0.0023148 k( 168) = ( 0.0334037 0.0334037 0.5000000), wk = 0.0023148 k( 169) = ( 0.0278364 0.0278364 0.5000000), wk = 0.0023148 k( 170) = ( 0.0222691 0.0222691 0.5000000), wk = 0.0023148 k( 171) = ( 0.0167018 0.0167018 0.5000000), wk = 0.0023148 k( 172) = ( 0.0111346 0.0111346 0.5000000), wk = 0.0023148 k( 173) = ( 0.0055673 0.0055673 0.5000000), wk = 0.0023148 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023148 k( 175) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023148 k( 176) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0023148 k( 177) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0023148 k( 178) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0023148 k( 179) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0023148 k( 180) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0023148 k( 181) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0023148 k( 182) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0023148 k( 183) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0023148 k( 184) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0023148 k( 185) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0023148 k( 186) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0023148 k( 187) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0023148 k( 188) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0023148 k( 189) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0023148 k( 190) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0023148 k( 191) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0023148 k( 192) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0023148 k( 193) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0023148 k( 194) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0023148 k( 195) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0023148 k( 196) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0023148 k( 197) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0023148 k( 198) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0023148 k( 199) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0023148 k( 200) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0023148 k( 201) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0023148 k( 202) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0023148 k( 203) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0023148 k( 204) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0023148 k( 205) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0023148 k( 206) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0023148 k( 207) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0023148 k( 208) = ( 0.0000000 0.0000000 0.0540540), wk = 0.0023148 k( 209) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0023148 k( 210) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0023148 k( 211) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0023148 k( 212) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 214) = ( -0.0166667 0.0166667 -0.0000000), wk = 0.0023148 k( 215) = ( -0.0333333 0.0333333 -0.0000000), wk = 0.0023148 k( 216) = ( -0.0500000 0.0500000 -0.0000000), wk = 0.0023148 k( 217) = ( -0.0666667 0.0666667 -0.0000000), wk = 0.0023148 k( 218) = ( -0.0833333 0.0833333 -0.0000000), wk = 0.0023148 k( 219) = ( -0.1000000 0.1000000 -0.0000000), wk = 0.0023148 k( 220) = ( -0.1166667 0.1166667 -0.0000000), wk = 0.0023148 k( 221) = ( -0.1333333 0.1333333 -0.0000000), wk = 0.0023148 k( 222) = ( -0.1500000 0.1500000 -0.0000000), wk = 0.0023148 k( 223) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0023148 k( 224) = ( -0.1833333 0.1833333 -0.0000000), wk = 0.0023148 k( 225) = ( -0.2000000 0.2000000 -0.0000000), wk = 0.0023148 k( 226) = ( -0.2166667 0.2166667 -0.0000000), wk = 0.0023148 k( 227) = ( -0.2333333 0.2333333 -0.0000000), wk = 0.0023148 k( 228) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0023148 k( 229) = ( -0.2666667 0.2666667 -0.0000000), wk = 0.0023148 k( 230) = ( -0.2833333 0.2833333 -0.0000000), wk = 0.0023148 k( 231) = ( -0.3000000 0.3000000 -0.0000000), wk = 0.0023148 k( 232) = ( -0.3166667 0.3166667 -0.0000000), wk = 0.0023148 k( 233) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0023148 k( 234) = ( -0.3500000 0.3500000 -0.0000000), wk = 0.0023148 k( 235) = ( -0.3666667 0.3666667 -0.0000000), wk = 0.0023148 k( 236) = ( -0.3833333 0.3833333 -0.0000000), wk = 0.0023148 k( 237) = ( -0.4000000 0.4000000 -0.0000000), wk = 0.0023148 k( 238) = ( -0.4166667 0.4166667 -0.0000000), wk = 0.0023148 k( 239) = ( -0.4333333 0.4333333 -0.0000000), wk = 0.0023148 k( 240) = ( -0.4500000 0.4500000 -0.0000000), wk = 0.0023148 k( 241) = ( -0.4666667 0.4666667 -0.0000000), wk = 0.0023148 k( 242) = ( -0.4833333 0.4833333 -0.0000000), wk = 0.0023148 k( 243) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0023148 k( 244) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0023148 k( 245) = ( -0.4944591 0.5055409 -0.0000000), wk = 0.0023148 k( 246) = ( -0.4889182 0.5110818 -0.0000000), wk = 0.0023148 k( 247) = ( -0.4833773 0.5166227 -0.0000000), wk = 0.0023148 k( 248) = ( -0.4778364 0.5221636 -0.0000000), wk = 0.0023148 k( 249) = ( -0.4722955 0.5277045 -0.0000000), wk = 0.0023148 k( 250) = ( -0.4667546 0.5332454 -0.0000000), wk = 0.0023148 k( 251) = ( -0.4612137 0.5387863 -0.0000000), wk = 0.0023148 k( 252) = ( -0.4556728 0.5443272 -0.0000000), wk = 0.0023148 k( 253) = ( -0.4501319 0.5498681 -0.0000000), wk = 0.0023148 k( 254) = ( -0.4445910 0.5554090 -0.0000000), wk = 0.0023148 k( 255) = ( -0.4390501 0.5609499 -0.0000000), wk = 0.0023148 k( 256) = ( -0.4335092 0.5664908 -0.0000000), wk = 0.0023148 k( 257) = ( -0.4279683 0.5720317 -0.0000000), wk = 0.0023148 k( 258) = ( -0.4224274 0.5775726 -0.0000000), wk = 0.0023148 k( 259) = ( -0.4168865 0.5831135 -0.0000000), wk = 0.0023148 k( 260) = ( -0.4113456 0.5886544 -0.0000000), wk = 0.0023148 k( 261) = ( -0.4058047 0.5941953 -0.0000000), wk = 0.0023148 k( 262) = ( -0.4002638 0.5997362 -0.0000000), wk = 0.0023148 k( 263) = ( -0.3947229 0.6052771 -0.0000000), wk = 0.0023148 k( 264) = ( -0.3891820 0.6108180 -0.0000000), wk = 0.0023148 k( 265) = ( -0.3836411 0.6163589 -0.0000000), wk = 0.0023148 k( 266) = ( -0.3781002 0.6218998 -0.0000000), wk = 0.0023148 k( 267) = ( -0.3725593 0.6274407 -0.0000000), wk = 0.0023148 k( 268) = ( -0.3670184 0.6329816 -0.0000000), wk = 0.0023148 k( 269) = ( -0.3614775 0.6385225 -0.0000000), wk = 0.0023148 k( 270) = ( -0.3559366 0.6440634 -0.0000000), wk = 0.0023148 k( 271) = ( -0.3503957 0.6496043 -0.0000000), wk = 0.0023148 k( 272) = ( -0.3448548 0.6551452 -0.0000000), wk = 0.0023148 k( 273) = ( -0.3393139 0.6606861 -0.0000000), wk = 0.0023148 k( 274) = ( -0.3337730 0.6662270 -0.0000000), wk = 0.0023148 k( 275) = ( -0.3282321 0.6717679 -0.0000000), wk = 0.0023148 k( 276) = ( -0.3226912 0.6773088 -0.0000000), wk = 0.0023148 k( 277) = ( -0.3171503 0.6828497 -0.0000000), wk = 0.0023148 k( 278) = ( -0.3116094 0.6883906 -0.0000000), wk = 0.0023148 k( 279) = ( -0.3060685 0.6939315 -0.0000000), wk = 0.0023148 k( 280) = ( -0.3005276 0.6994724 -0.0000000), wk = 0.0023148 k( 281) = ( -0.2949867 0.7050133 -0.0000000), wk = 0.0023148 k( 282) = ( -0.2894458 0.7105542 -0.0000000), wk = 0.0023148 k( 283) = ( -0.2839049 0.7160951 -0.0000000), wk = 0.0023148 k( 284) = ( -0.2783640 0.7216360 -0.0000000), wk = 0.0023148 k( 285) = ( -0.2783640 0.7216360 -0.0000000), wk = 0.0023148 k( 286) = ( -0.2783640 0.7216360 0.0135135), wk = 0.0023148 k( 287) = ( -0.2783640 0.7216360 0.0270270), wk = 0.0023148 k( 288) = ( -0.2783640 0.7216360 0.0405405), wk = 0.0023148 k( 289) = ( -0.2783640 0.7216360 0.0540541), wk = 0.0023148 k( 290) = ( -0.2783640 0.7216360 0.0675676), wk = 0.0023148 k( 291) = ( -0.2783640 0.7216360 0.0810811), wk = 0.0023148 k( 292) = ( -0.2783640 0.7216360 0.0945946), wk = 0.0023148 k( 293) = ( -0.2783640 0.7216360 0.1081081), wk = 0.0023148 k( 294) = ( -0.2783640 0.7216360 0.1216216), wk = 0.0023148 k( 295) = ( -0.2783640 0.7216360 0.1351351), wk = 0.0023148 k( 296) = ( -0.2783640 0.7216360 0.1486486), wk = 0.0023148 k( 297) = ( -0.2783640 0.7216360 0.1621622), wk = 0.0023148 k( 298) = ( -0.2783640 0.7216360 0.1756757), wk = 0.0023148 k( 299) = ( -0.2783640 0.7216360 0.1891892), wk = 0.0023148 k( 300) = ( -0.2783640 0.7216360 0.2027027), wk = 0.0023148 k( 301) = ( -0.2783640 0.7216360 0.2162162), wk = 0.0023148 k( 302) = ( -0.2783640 0.7216360 0.2297297), wk = 0.0023148 k( 303) = ( -0.2783640 0.7216360 0.2432432), wk = 0.0023148 k( 304) = ( -0.2783640 0.7216360 0.2567568), wk = 0.0023148 k( 305) = ( -0.2783640 0.7216360 0.2702703), wk = 0.0023148 k( 306) = ( -0.2783640 0.7216360 0.2837838), wk = 0.0023148 k( 307) = ( -0.2783640 0.7216360 0.2972973), wk = 0.0023148 k( 308) = ( -0.2783640 0.7216360 0.3108108), wk = 0.0023148 k( 309) = ( -0.2783640 0.7216360 0.3243243), wk = 0.0023148 k( 310) = ( -0.2783640 0.7216360 0.3378378), wk = 0.0023148 k( 311) = ( -0.2783640 0.7216360 0.3513514), wk = 0.0023148 k( 312) = ( -0.2783640 0.7216360 0.3648649), wk = 0.0023148 k( 313) = ( -0.2783640 0.7216360 0.3783784), wk = 0.0023148 k( 314) = ( -0.2783640 0.7216360 0.3918919), wk = 0.0023148 k( 315) = ( -0.2783640 0.7216360 0.4054054), wk = 0.0023148 k( 316) = ( -0.2783640 0.7216360 0.4189189), wk = 0.0023148 k( 317) = ( -0.2783640 0.7216360 0.4324324), wk = 0.0023148 k( 318) = ( -0.2783640 0.7216360 0.4459460), wk = 0.0023148 k( 319) = ( -0.2783640 0.7216360 0.4594595), wk = 0.0023148 k( 320) = ( -0.2783640 0.7216360 0.4729730), wk = 0.0023148 k( 321) = ( -0.2783640 0.7216360 0.4864865), wk = 0.0023148 k( 322) = ( -0.2783640 0.7216360 0.5000000), wk = 0.0023148 k( 323) = ( -0.2783640 0.7216360 0.5000000), wk = 0.0023148 k( 324) = ( -0.2839049 0.7160951 0.5000000), wk = 0.0023148 k( 325) = ( -0.2894458 0.7105542 0.5000000), wk = 0.0023148 k( 326) = ( -0.2949867 0.7050133 0.5000000), wk = 0.0023148 k( 327) = ( -0.3005276 0.6994724 0.5000000), wk = 0.0023148 k( 328) = ( -0.3060685 0.6939315 0.5000000), wk = 0.0023148 k( 329) = ( -0.3116094 0.6883906 0.5000000), wk = 0.0023148 k( 330) = ( -0.3171503 0.6828497 0.5000000), wk = 0.0023148 k( 331) = ( -0.3226912 0.6773088 0.5000000), wk = 0.0023148 k( 332) = ( -0.3282321 0.6717679 0.5000000), wk = 0.0023148 k( 333) = ( -0.3337730 0.6662270 0.5000000), wk = 0.0023148 k( 334) = ( -0.3393139 0.6606861 0.5000000), wk = 0.0023148 k( 335) = ( -0.3448548 0.6551452 0.5000000), wk = 0.0023148 k( 336) = ( -0.3503957 0.6496043 0.5000000), wk = 0.0023148 k( 337) = ( -0.3559366 0.6440634 0.5000000), wk = 0.0023148 k( 338) = ( -0.3614775 0.6385225 0.5000000), wk = 0.0023148 k( 339) = ( -0.3670184 0.6329816 0.5000000), wk = 0.0023148 k( 340) = ( -0.3725593 0.6274407 0.5000000), wk = 0.0023148 k( 341) = ( -0.3781002 0.6218998 0.5000000), wk = 0.0023148 k( 342) = ( -0.3836411 0.6163589 0.5000000), wk = 0.0023148 k( 343) = ( -0.3891820 0.6108180 0.5000000), wk = 0.0023148 k( 344) = ( -0.3947229 0.6052771 0.5000000), wk = 0.0023148 k( 345) = ( -0.4002638 0.5997362 0.5000000), wk = 0.0023148 k( 346) = ( -0.4058047 0.5941953 0.5000000), wk = 0.0023148 k( 347) = ( -0.4113456 0.5886544 0.5000000), wk = 0.0023148 k( 348) = ( -0.4168865 0.5831135 0.5000000), wk = 0.0023148 k( 349) = ( -0.4224274 0.5775726 0.5000000), wk = 0.0023148 k( 350) = ( -0.4279683 0.5720317 0.5000000), wk = 0.0023148 k( 351) = ( -0.4335092 0.5664908 0.5000000), wk = 0.0023148 k( 352) = ( -0.4390501 0.5609499 0.5000000), wk = 0.0023148 k( 353) = ( -0.4445910 0.5554090 0.5000000), wk = 0.0023148 k( 354) = ( -0.4501319 0.5498681 0.5000000), wk = 0.0023148 k( 355) = ( -0.4556728 0.5443272 0.5000000), wk = 0.0023148 k( 356) = ( -0.4612137 0.5387863 0.5000000), wk = 0.0023148 k( 357) = ( -0.4667546 0.5332454 0.5000000), wk = 0.0023148 k( 358) = ( -0.4722955 0.5277045 0.5000000), wk = 0.0023148 k( 359) = ( -0.4778364 0.5221636 0.5000000), wk = 0.0023148 k( 360) = ( -0.4833773 0.5166227 0.5000000), wk = 0.0023148 k( 361) = ( -0.4889182 0.5110818 0.5000000), wk = 0.0023148 k( 362) = ( -0.4944591 0.5055409 0.5000000), wk = 0.0023148 k( 363) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023148 k( 364) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023148 k( 365) = ( -0.5000000 0.5000000 0.4864865), wk = 0.0023148 k( 366) = ( -0.5000000 0.5000000 0.4729730), wk = 0.0023148 k( 367) = ( -0.5000000 0.5000000 0.4594595), wk = 0.0023148 k( 368) = ( -0.5000000 0.5000000 0.4459459), wk = 0.0023148 k( 369) = ( -0.5000000 0.5000000 0.4324324), wk = 0.0023148 k( 370) = ( -0.5000000 0.5000000 0.4189189), wk = 0.0023148 k( 371) = ( -0.5000000 0.5000000 0.4054054), wk = 0.0023148 k( 372) = ( -0.5000000 0.5000000 0.3918919), wk = 0.0023148 k( 373) = ( -0.5000000 0.5000000 0.3783784), wk = 0.0023148 k( 374) = ( -0.5000000 0.5000000 0.3648649), wk = 0.0023148 k( 375) = ( -0.5000000 0.5000000 0.3513514), wk = 0.0023148 k( 376) = ( -0.5000000 0.5000000 0.3378378), wk = 0.0023148 k( 377) = ( -0.5000000 0.5000000 0.3243243), wk = 0.0023148 k( 378) = ( -0.5000000 0.5000000 0.3108108), wk = 0.0023148 k( 379) = ( -0.5000000 0.5000000 0.2972973), wk = 0.0023148 k( 380) = ( -0.5000000 0.5000000 0.2837838), wk = 0.0023148 k( 381) = ( -0.5000000 0.5000000 0.2702703), wk = 0.0023148 k( 382) = ( -0.5000000 0.5000000 0.2567568), wk = 0.0023148 k( 383) = ( -0.5000000 0.5000000 0.2432432), wk = 0.0023148 k( 384) = ( -0.5000000 0.5000000 0.2297297), wk = 0.0023148 k( 385) = ( -0.5000000 0.5000000 0.2162162), wk = 0.0023148 k( 386) = ( -0.5000000 0.5000000 0.2027027), wk = 0.0023148 k( 387) = ( -0.5000000 0.5000000 0.1891892), wk = 0.0023148 k( 388) = ( -0.5000000 0.5000000 0.1756757), wk = 0.0023148 k( 389) = ( -0.5000000 0.5000000 0.1621622), wk = 0.0023148 k( 390) = ( -0.5000000 0.5000000 0.1486486), wk = 0.0023148 k( 391) = ( -0.5000000 0.5000000 0.1351351), wk = 0.0023148 k( 392) = ( -0.5000000 0.5000000 0.1216216), wk = 0.0023148 k( 393) = ( -0.5000000 0.5000000 0.1081081), wk = 0.0023148 k( 394) = ( -0.5000000 0.5000000 0.0945946), wk = 0.0023148 k( 395) = ( -0.5000000 0.5000000 0.0810811), wk = 0.0023148 k( 396) = ( -0.5000000 0.5000000 0.0675676), wk = 0.0023148 k( 397) = ( -0.5000000 0.5000000 0.0540540), wk = 0.0023148 k( 398) = ( -0.5000000 0.5000000 0.0405405), wk = 0.0023148 k( 399) = ( -0.5000000 0.5000000 0.0270270), wk = 0.0023148 k( 400) = ( -0.5000000 0.5000000 0.0135135), wk = 0.0023148 k( 401) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0023148 k( 402) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023148 k( 403) = ( -0.0166667 0.0166667 0.5000000), wk = 0.0023148 k( 404) = ( -0.0333333 0.0333333 0.5000000), wk = 0.0023148 k( 405) = ( -0.0500000 0.0500000 0.5000000), wk = 0.0023148 k( 406) = ( -0.0666667 0.0666667 0.5000000), wk = 0.0023148 k( 407) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0023148 k( 408) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0023148 k( 409) = ( -0.1166667 0.1166667 0.5000000), wk = 0.0023148 k( 410) = ( -0.1333333 0.1333333 0.5000000), wk = 0.0023148 k( 411) = ( -0.1500000 0.1500000 0.5000000), wk = 0.0023148 k( 412) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0023148 k( 413) = ( -0.1833333 0.1833333 0.5000000), wk = 0.0023148 k( 414) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0023148 k( 415) = ( -0.2166667 0.2166667 0.5000000), wk = 0.0023148 k( 416) = ( -0.2333333 0.2333333 0.5000000), wk = 0.0023148 k( 417) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0023148 k( 418) = ( -0.2666667 0.2666667 0.5000000), wk = 0.0023148 k( 419) = ( -0.2833333 0.2833333 0.5000000), wk = 0.0023148 k( 420) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0023148 k( 421) = ( -0.3166667 0.3166667 0.5000000), wk = 0.0023148 k( 422) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0023148 k( 423) = ( -0.3500000 0.3500000 0.5000000), wk = 0.0023148 k( 424) = ( -0.3666667 0.3666667 0.5000000), wk = 0.0023148 k( 425) = ( -0.3833333 0.3833333 0.5000000), wk = 0.0023148 k( 426) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0023148 k( 427) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0023148 k( 428) = ( -0.4333333 0.4333333 0.5000000), wk = 0.0023148 k( 429) = ( -0.4500000 0.4500000 0.5000000), wk = 0.0023148 k( 430) = ( -0.4666667 0.4666667 0.5000000), wk = 0.0023148 k( 431) = ( -0.4833333 0.4833333 0.5000000), wk = 0.0023148 k( 432) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023148 Dense grid: 32895 G-vectors FFT dimensions: ( 54, 54, 40) Smooth grid: 25659 G-vectors FFT dimensions: ( 48, 48, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 182, 42) NL pseudopotentials 0.16 Mb ( 91, 112) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 915) G-vector shells 0.00 Mb ( 465) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.47 Mb ( 182, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.14 Mb ( 112, 2, 42) The potential is recalculated from file : ./ZrNiH3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.3 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.2 secs Computing kpt #: 9 total cpu time spent up to now is 6.6 secs Computing kpt #: 10 total cpu time spent up to now is 7.0 secs Computing kpt #: 11 total cpu time spent up to now is 7.3 secs Computing kpt #: 12 total cpu time spent up to now is 7.7 secs Computing kpt #: 13 total cpu time spent up to now is 8.1 secs Computing kpt #: 14 total cpu time spent up to now is 8.4 secs Computing kpt #: 15 total cpu time spent up to now is 8.9 secs Computing kpt #: 16 total cpu time spent up to now is 9.2 secs Computing kpt #: 17 total cpu time spent up to now is 9.6 secs Computing kpt #: 18 total cpu time spent up to now is 9.9 secs Computing kpt #: 19 total cpu time spent up to now is 10.3 secs Computing kpt #: 20 total cpu time spent up to now is 10.7 secs Computing kpt #: 21 total cpu time spent up to now is 11.1 secs Computing kpt #: 22 total cpu time spent up to now is 11.4 secs Computing kpt #: 23 total cpu time spent up to now is 11.8 secs Computing kpt #: 24 total cpu time spent up to now is 12.1 secs Computing kpt #: 25 total cpu time spent up to now is 12.6 secs Computing kpt #: 26 total cpu time spent up to now is 13.0 secs Computing kpt #: 27 total cpu time spent up to now is 13.4 secs Computing kpt #: 28 total cpu time spent up to now is 13.8 secs Computing kpt #: 29 total cpu time spent up to now is 14.3 secs Computing kpt #: 30 total cpu time spent up to now is 14.9 secs Computing kpt #: 31 total cpu time spent up to now is 15.5 secs Computing kpt #: 32 total cpu time spent up to now is 16.6 secs Computing kpt #: 33 total cpu time spent up to now is 17.7 secs Computing kpt #: 34 total cpu time spent up to now is 18.5 secs Computing kpt #: 35 total cpu time spent up to now is 19.1 secs Computing kpt #: 36 total cpu time spent up to now is 19.6 secs Computing kpt #: 37 total cpu time spent up to now is 20.0 secs Computing kpt #: 38 total cpu time spent up to now is 20.5 secs Computing kpt #: 39 total cpu time spent up to now is 20.9 secs Computing kpt #: 40 total cpu time spent up to now is 21.4 secs Computing kpt #: 41 total cpu time spent up to now is 21.7 secs Computing kpt #: 42 total cpu time spent up to now is 22.1 secs Computing kpt #: 43 total cpu time spent up to now is 22.5 secs Computing kpt #: 44 total cpu time spent up to now is 22.9 secs Computing kpt #: 45 total cpu time spent up to now is 23.2 secs Computing kpt #: 46 total cpu time spent up to now is 23.6 secs Computing kpt #: 47 total cpu time spent up to now is 24.0 secs Computing kpt #: 48 total cpu time spent up to now is 24.4 secs Computing kpt #: 49 total cpu time spent up to now is 24.7 secs Computing kpt #: 50 total cpu time spent up to now is 25.1 secs Computing kpt #: 51 total cpu time spent up to now is 25.5 secs Computing kpt #: 52 total cpu time spent up to now is 25.8 secs Computing kpt #: 53 total cpu time spent up to now is 26.2 secs Computing kpt #: 54 total cpu time spent up to now is 26.6 secs Computing kpt #: 55 total cpu time spent up to now is 26.9 secs Computing kpt #: 56 total cpu time spent up to now is 27.3 secs Computing kpt #: 57 total cpu time spent up to now is 27.7 secs Computing kpt #: 58 total cpu time spent up to now is 28.0 secs Computing kpt #: 59 total cpu time spent up to now is 28.4 secs Computing kpt #: 60 total cpu time spent up to now is 28.8 secs Computing kpt #: 61 total cpu time spent up to now is 29.2 secs Computing kpt #: 62 total cpu time spent up to now is 29.6 secs Computing kpt #: 63 total cpu time spent up to now is 30.0 secs Computing kpt #: 64 total cpu time spent up to now is 30.4 secs Computing kpt #: 65 total cpu time spent up to now is 30.8 secs Computing kpt #: 66 total cpu time spent up to now is 31.2 secs Computing kpt #: 67 total cpu time spent up to now is 31.6 secs Computing kpt #: 68 total cpu time spent up to now is 32.0 secs Computing kpt #: 69 total cpu time spent up to now is 32.3 secs Computing kpt #: 70 total cpu time spent up to now is 32.7 secs Computing kpt #: 71 total cpu time spent up to now is 33.1 secs Computing kpt #: 72 total cpu time spent up to now is 33.5 secs Computing kpt #: 73 total cpu time spent up to now is 33.8 secs Computing kpt #: 74 total cpu time spent up to now is 34.2 secs Computing kpt #: 75 total cpu time spent up to now is 34.6 secs Computing kpt #: 76 total cpu time spent up to now is 35.0 secs Computing kpt #: 77 total cpu time spent up to now is 35.4 secs Computing kpt #: 78 total cpu time spent up to now is 35.8 secs Computing kpt #: 79 total cpu time spent up to now is 36.2 secs Computing kpt #: 80 total cpu time spent up to now is 36.6 secs Computing kpt #: 81 total cpu time spent up to now is 37.0 secs Computing kpt #: 82 total cpu time spent up to now is 37.4 secs Computing kpt #: 83 total cpu time spent up to now is 37.9 secs Computing kpt #: 84 total cpu time spent up to now is 38.3 secs Computing kpt #: 85 total cpu time spent up to now is 38.9 secs Computing kpt #: 86 total cpu time spent up to now is 39.5 secs Computing kpt #: 87 total cpu time spent up to now is 40.1 secs Computing kpt #: 88 total cpu time spent up to now is 40.9 secs Computing kpt #: 89 total cpu time spent up to now is 41.5 secs Computing kpt #: 90 total cpu time spent up to now is 42.1 secs Computing kpt #: 91 total cpu time spent up to now is 42.6 secs Computing kpt #: 92 total cpu time spent up to now is 43.1 secs Computing kpt #: 93 total cpu time spent up to now is 43.5 secs Computing kpt #: 94 total cpu time spent up to now is 44.0 secs Computing kpt #: 95 total cpu time spent up to now is 44.5 secs Computing kpt #: 96 total cpu time spent up to now is 44.9 secs Computing kpt #: 97 total cpu time spent up to now is 45.4 secs Computing kpt #: 98 total cpu time spent up to now is 45.8 secs Computing kpt #: 99 total cpu time spent up to now is 46.3 secs Computing kpt #: 100 total cpu time spent up to now is 46.7 secs Computing kpt #: 101 total cpu time spent up to now is 47.2 secs Computing kpt #: 102 total cpu time spent up to now is 47.6 secs Computing kpt #: 103 total cpu time spent up to now is 48.2 secs Computing kpt #: 104 total cpu time spent up to now is 48.9 secs Computing kpt #: 105 total cpu time spent up to now is 49.7 secs Computing kpt #: 106 total cpu time spent up to now is 50.1 secs Computing kpt #: 107 total cpu time spent up to now is 50.6 secs Computing kpt #: 108 total cpu time spent up to now is 51.0 secs Computing kpt #: 109 total cpu time spent up to now is 51.5 secs Computing kpt #: 110 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 52.7 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 53.9 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 55.0 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 56.2 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 57.4 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 58.6 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 59.7 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 60.8 secs Computing kpt #: 118 total cpu time spent up to now is 61.4 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 62.6 secs Computing kpt #: 120 total cpu time spent up to now is 63.3 secs Computing kpt #: 121 total cpu time spent up to now is 63.9 secs Computing kpt #: 122 total cpu time spent up to now is 64.5 secs Computing kpt #: 123 total cpu time spent up to now is 65.0 secs Computing kpt #: 124 total cpu time spent up to now is 65.5 secs Computing kpt #: 125 total cpu time spent up to now is 66.3 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 67.5 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 68.6 secs Computing kpt #: 128 total cpu time spent up to now is 69.3 secs Computing kpt #: 129 total cpu time spent up to now is 70.1 secs Computing kpt #: 130 total cpu time spent up to now is 70.8 secs Computing kpt #: 131 total cpu time spent up to now is 71.6 secs Computing kpt #: 132 total cpu time spent up to now is 72.3 secs Computing kpt #: 133 total cpu time spent up to now is 73.0 secs Computing kpt #: 134 total cpu time spent up to now is 73.7 secs Computing kpt #: 135 total cpu time spent up to now is 74.3 secs Computing kpt #: 136 total cpu time spent up to now is 75.0 secs Computing kpt #: 137 total cpu time spent up to now is 75.6 secs Computing kpt #: 138 total cpu time spent up to now is 76.3 secs Computing kpt #: 139 total cpu time spent up to now is 76.9 secs Computing kpt #: 140 total cpu time spent up to now is 77.6 secs Computing kpt #: 141 total cpu time spent up to now is 78.4 secs Computing kpt #: 142 total cpu time spent up to now is 79.1 secs Computing kpt #: 143 total cpu time spent up to now is 79.8 secs Computing kpt #: 144 total cpu time spent up to now is 80.4 secs Computing kpt #: 145 total cpu time spent up to now is 81.2 secs Computing kpt #: 146 total cpu time spent up to now is 82.0 secs Computing kpt #: 147 total cpu time spent up to now is 82.6 secs Computing kpt #: 148 total cpu time spent up to now is 83.3 secs Computing kpt #: 149 total cpu time spent up to now is 84.0 secs Computing kpt #: 150 total cpu time spent up to now is 85.1 secs Computing kpt #: 151 total cpu time spent up to now is 85.9 secs Computing kpt #: 152 total cpu time spent up to now is 86.5 secs Computing kpt #: 153 total cpu time spent up to now is 87.3 secs Computing kpt #: 154 total cpu time spent up to now is 88.1 secs Computing kpt #: 155 total cpu time spent up to now is 88.8 secs Computing kpt #: 156 total cpu time spent up to now is 89.6 secs Computing kpt #: 157 total cpu time spent up to now is 90.3 secs Computing kpt #: 158 total cpu time spent up to now is 91.0 secs Computing kpt #: 159 total cpu time spent up to now is 91.6 secs Computing kpt #: 160 total cpu time spent up to now is 92.6 secs Computing kpt #: 161 total cpu time spent up to now is 93.3 secs Computing kpt #: 162 total cpu time spent up to now is 94.1 secs Computing kpt #: 163 total cpu time spent up to now is 94.8 secs Computing kpt #: 164 total cpu time spent up to now is 95.9 secs Computing kpt #: 165 total cpu time spent up to now is 96.7 secs Computing kpt #: 166 total cpu time spent up to now is 97.5 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 98.6 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 99.8 secs Computing kpt #: 169 total cpu time spent up to now is 100.8 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 102.0 secs Computing kpt #: 171 total cpu time spent up to now is 103.0 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 104.1 secs Computing kpt #: 173 total cpu time spent up to now is 105.0 secs Computing kpt #: 174 total cpu time spent up to now is 105.8 secs Computing kpt #: 175 total cpu time spent up to now is 106.5 secs Computing kpt #: 176 total cpu time spent up to now is 107.3 secs Computing kpt #: 177 total cpu time spent up to now is 108.0 secs Computing kpt #: 178 total cpu time spent up to now is 108.7 secs Computing kpt #: 179 total cpu time spent up to now is 109.3 secs Computing kpt #: 180 total cpu time spent up to now is 109.8 secs Computing kpt #: 181 total cpu time spent up to now is 110.3 secs Computing kpt #: 182 total cpu time spent up to now is 110.8 secs Computing kpt #: 183 total cpu time spent up to now is 111.3 secs Computing kpt #: 184 total cpu time spent up to now is 111.8 secs Computing kpt #: 185 total cpu time spent up to now is 112.2 secs Computing kpt #: 186 total cpu time spent up to now is 112.7 secs Computing kpt #: 187 total cpu time spent up to now is 113.1 secs Computing kpt #: 188 total cpu time spent up to now is 113.5 secs Computing kpt #: 189 total cpu time spent up to now is 114.0 secs Computing kpt #: 190 total cpu time spent up to now is 114.3 secs Computing kpt #: 191 total cpu time spent up to now is 114.7 secs Computing kpt #: 192 total cpu time spent up to now is 115.1 secs Computing kpt #: 193 total cpu time spent up to now is 115.5 secs Computing kpt #: 194 total cpu time spent up to now is 115.9 secs Computing kpt #: 195 total cpu time spent up to now is 116.3 secs Computing kpt #: 196 total cpu time spent up to now is 116.6 secs Computing kpt #: 197 total cpu time spent up to now is 117.0 secs Computing kpt #: 198 total cpu time spent up to now is 117.3 secs Computing kpt #: 199 total cpu time spent up to now is 117.7 secs Computing kpt #: 200 total cpu time spent up to now is 118.0 secs Computing kpt #: 201 total cpu time spent up to now is 118.4 secs Computing kpt #: 202 total cpu time spent up to now is 118.7 secs Computing kpt #: 203 total cpu time spent up to now is 119.1 secs Computing kpt #: 204 total cpu time spent up to now is 119.5 secs Computing kpt #: 205 total cpu time spent up to now is 119.9 secs Computing kpt #: 206 total cpu time spent up to now is 120.3 secs Computing kpt #: 207 total cpu time spent up to now is 120.8 secs Computing kpt #: 208 total cpu time spent up to now is 121.4 secs Computing kpt #: 209 total cpu time spent up to now is 122.0 secs Computing kpt #: 210 total cpu time spent up to now is 122.7 secs Computing kpt #: 211 total cpu time spent up to now is 123.7 secs Computing kpt #: 212 total cpu time spent up to now is 124.4 secs Computing kpt #: 213 total cpu time spent up to now is 125.0 secs Computing kpt #: 214 total cpu time spent up to now is 125.8 secs Computing kpt #: 215 total cpu time spent up to now is 126.5 secs Computing kpt #: 216 total cpu time spent up to now is 127.1 secs Computing kpt #: 217 total cpu time spent up to now is 127.7 secs Computing kpt #: 218 total cpu time spent up to now is 128.1 secs Computing kpt #: 219 total cpu time spent up to now is 128.7 secs Computing kpt #: 220 total cpu time spent up to now is 129.2 secs Computing kpt #: 221 total cpu time spent up to now is 129.8 secs Computing kpt #: 222 total cpu time spent up to now is 130.2 secs Computing kpt #: 223 total cpu time spent up to now is 130.7 secs Computing kpt #: 224 total cpu time spent up to now is 131.1 secs Computing kpt #: 225 total cpu time spent up to now is 131.5 secs Computing kpt #: 226 total cpu time spent up to now is 131.9 secs Computing kpt #: 227 total cpu time spent up to now is 132.2 secs Computing kpt #: 228 total cpu time spent up to now is 132.6 secs Computing kpt #: 229 total cpu time spent up to now is 133.0 secs Computing kpt #: 230 total cpu time spent up to now is 133.3 secs Computing kpt #: 231 total cpu time spent up to now is 133.7 secs Computing kpt #: 232 total cpu time spent up to now is 134.1 secs Computing kpt #: 233 total cpu time spent up to now is 134.5 secs Computing kpt #: 234 total cpu time spent up to now is 134.9 secs Computing kpt #: 235 total cpu time spent up to now is 135.5 secs Computing kpt #: 236 total cpu time spent up to now is 136.1 secs Computing kpt #: 237 total cpu time spent up to now is 136.7 secs Computing kpt #: 238 total cpu time spent up to now is 137.5 secs Computing kpt #: 239 total cpu time spent up to now is 138.4 secs Computing kpt #: 240 total cpu time spent up to now is 139.0 secs Computing kpt #: 241 total cpu time spent up to now is 139.5 secs Computing kpt #: 242 total cpu time spent up to now is 140.0 secs Computing kpt #: 243 total cpu time spent up to now is 140.6 secs Computing kpt #: 244 total cpu time spent up to now is 141.0 secs Computing kpt #: 245 total cpu time spent up to now is 141.4 secs Computing kpt #: 246 total cpu time spent up to now is 141.8 secs Computing kpt #: 247 total cpu time spent up to now is 142.4 secs Computing kpt #: 248 total cpu time spent up to now is 142.8 secs Computing kpt #: 249 total cpu time spent up to now is 143.3 secs Computing kpt #: 250 total cpu time spent up to now is 143.8 secs Computing kpt #: 251 total cpu time spent up to now is 144.4 secs Computing kpt #: 252 total cpu time spent up to now is 144.9 secs Computing kpt #: 253 total cpu time spent up to now is 145.3 secs Computing kpt #: 254 total cpu time spent up to now is 145.8 secs Computing kpt #: 255 total cpu time spent up to now is 146.4 secs Computing kpt #: 256 total cpu time spent up to now is 146.9 secs Computing kpt #: 257 total cpu time spent up to now is 147.4 secs Computing kpt #: 258 total cpu time spent up to now is 147.9 secs Computing kpt #: 259 total cpu time spent up to now is 148.5 secs Computing kpt #: 260 total cpu time spent up to now is 149.1 secs Computing kpt #: 261 total cpu time spent up to now is 149.5 secs Computing kpt #: 262 total cpu time spent up to now is 150.1 secs Computing kpt #: 263 total cpu time spent up to now is 150.6 secs Computing kpt #: 264 total cpu time spent up to now is 151.2 secs Computing kpt #: 265 total cpu time spent up to now is 151.8 secs Computing kpt #: 266 total cpu time spent up to now is 152.5 secs Computing kpt #: 267 total cpu time spent up to now is 153.2 secs Computing kpt #: 268 total cpu time spent up to now is 153.8 secs Computing kpt #: 269 total cpu time spent up to now is 154.5 secs Computing kpt #: 270 total cpu time spent up to now is 155.1 secs Computing kpt #: 271 total cpu time spent up to now is 155.8 secs Computing kpt #: 272 total cpu time spent up to now is 156.4 secs Computing kpt #: 273 total cpu time spent up to now is 157.0 secs Computing kpt #: 274 total cpu time spent up to now is 157.7 secs Computing kpt #: 275 total cpu time spent up to now is 158.2 secs Computing kpt #: 276 total cpu time spent up to now is 158.7 secs Computing kpt #: 277 total cpu time spent up to now is 159.1 secs Computing kpt #: 278 total cpu time spent up to now is 159.6 secs Computing kpt #: 279 total cpu time spent up to now is 160.0 secs Computing kpt #: 280 total cpu time spent up to now is 160.4 secs Computing kpt #: 281 total cpu time spent up to now is 160.8 secs Computing kpt #: 282 total cpu time spent up to now is 161.2 secs Computing kpt #: 283 total cpu time spent up to now is 161.6 secs Computing kpt #: 284 total cpu time spent up to now is 161.9 secs Computing kpt #: 285 total cpu time spent up to now is 162.3 secs Computing kpt #: 286 total cpu time spent up to now is 162.6 secs Computing kpt #: 287 total cpu time spent up to now is 163.0 secs Computing kpt #: 288 total cpu time spent up to now is 163.4 secs Computing kpt #: 289 total cpu time spent up to now is 163.7 secs Computing kpt #: 290 total cpu time spent up to now is 164.1 secs Computing kpt #: 291 total cpu time spent up to now is 164.5 secs Computing kpt #: 292 total cpu time spent up to now is 165.0 secs Computing kpt #: 293 total cpu time spent up to now is 165.3 secs Computing kpt #: 294 total cpu time spent up to now is 165.7 secs Computing kpt #: 295 total cpu time spent up to now is 166.1 secs Computing kpt #: 296 total cpu time spent up to now is 166.6 secs Computing kpt #: 297 total cpu time spent up to now is 167.1 secs Computing kpt #: 298 total cpu time spent up to now is 167.5 secs Computing kpt #: 299 total cpu time spent up to now is 168.1 secs Computing kpt #: 300 total cpu time spent up to now is 168.7 secs Computing kpt #: 301 total cpu time spent up to now is 169.4 secs Computing kpt #: 302 total cpu time spent up to now is 170.1 secs Computing kpt #: 303 total cpu time spent up to now is 170.9 secs Computing kpt #: 304 total cpu time spent up to now is 171.6 secs Computing kpt #: 305 total cpu time spent up to now is 172.3 secs Computing kpt #: 306 total cpu time spent up to now is 172.9 secs Computing kpt #: 307 total cpu time spent up to now is 173.6 secs Computing kpt #: 308 total cpu time spent up to now is 174.3 secs Computing kpt #: 309 total cpu time spent up to now is 175.0 secs Computing kpt #: 310 total cpu time spent up to now is 175.8 secs Computing kpt #: 311 total cpu time spent up to now is 176.5 secs Computing kpt #: 312 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 177.7 secs Computing kpt #: 313 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 178.9 secs Computing kpt #: 314 total cpu time spent up to now is 179.9 secs Computing kpt #: 315 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 181.1 secs Computing kpt #: 316 total cpu time spent up to now is 182.0 secs Computing kpt #: 317 total cpu time spent up to now is 183.0 secs Computing kpt #: 318 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 184.2 secs Computing kpt #: 319 total cpu time spent up to now is 185.3 secs Computing kpt #: 320 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 186.5 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 187.7 secs Computing kpt #: 322 total cpu time spent up to now is 188.2 secs Computing kpt #: 323 total cpu time spent up to now is 188.6 secs Computing kpt #: 324 total cpu time spent up to now is 189.7 secs Computing kpt #: 325 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 190.9 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 192.1 secs Computing kpt #: 327 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 193.3 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 194.5 secs Computing kpt #: 329 total cpu time spent up to now is 195.6 secs Computing kpt #: 330 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 196.7 secs Computing kpt #: 331 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 197.9 secs Computing kpt #: 332 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 199.0 secs Computing kpt #: 333 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 200.2 secs Computing kpt #: 334 total cpu time spent up to now is 200.7 secs Computing kpt #: 335 total cpu time spent up to now is 201.5 secs Computing kpt #: 336 total cpu time spent up to now is 202.0 secs Computing kpt #: 337 total cpu time spent up to now is 202.5 secs Computing kpt #: 338 total cpu time spent up to now is 203.3 secs Computing kpt #: 339 total cpu time spent up to now is 203.8 secs Computing kpt #: 340 total cpu time spent up to now is 204.6 secs Computing kpt #: 341 total cpu time spent up to now is 205.1 secs Computing kpt #: 342 total cpu time spent up to now is 205.8 secs Computing kpt #: 343 total cpu time spent up to now is 206.3 secs Computing kpt #: 344 total cpu time spent up to now is 206.8 secs Computing kpt #: 345 total cpu time spent up to now is 207.3 secs Computing kpt #: 346 total cpu time spent up to now is 207.8 secs Computing kpt #: 347 total cpu time spent up to now is 208.4 secs Computing kpt #: 348 total cpu time spent up to now is 208.9 secs Computing kpt #: 349 total cpu time spent up to now is 209.4 secs Computing kpt #: 350 total cpu time spent up to now is 209.9 secs Computing kpt #: 351 total cpu time spent up to now is 210.4 secs Computing kpt #: 352 total cpu time spent up to now is 210.9 secs Computing kpt #: 353 total cpu time spent up to now is 211.5 secs Computing kpt #: 354 total cpu time spent up to now is 212.0 secs Computing kpt #: 355 total cpu time spent up to now is 212.5 secs Computing kpt #: 356 total cpu time spent up to now is 213.0 secs Computing kpt #: 357 total cpu time spent up to now is 213.5 secs Computing kpt #: 358 total cpu time spent up to now is 214.0 secs Computing kpt #: 359 total cpu time spent up to now is 214.5 secs Computing kpt #: 360 total cpu time spent up to now is 215.0 secs Computing kpt #: 361 total cpu time spent up to now is 215.5 secs Computing kpt #: 362 total cpu time spent up to now is 216.0 secs Computing kpt #: 363 total cpu time spent up to now is 216.4 secs Computing kpt #: 364 total cpu time spent up to now is 216.9 secs Computing kpt #: 365 total cpu time spent up to now is 217.4 secs Computing kpt #: 366 total cpu time spent up to now is 217.9 secs Computing kpt #: 367 total cpu time spent up to now is 218.3 secs Computing kpt #: 368 total cpu time spent up to now is 218.8 secs Computing kpt #: 369 total cpu time spent up to now is 219.3 secs Computing kpt #: 370 total cpu time spent up to now is 219.7 secs Computing kpt #: 371 total cpu time spent up to now is 220.2 secs Computing kpt #: 372 total cpu time spent up to now is 220.6 secs Computing kpt #: 373 total cpu time spent up to now is 220.9 secs Computing kpt #: 374 total cpu time spent up to now is 221.3 secs Computing kpt #: 375 total cpu time spent up to now is 221.7 secs Computing kpt #: 376 total cpu time spent up to now is 222.0 secs Computing kpt #: 377 total cpu time spent up to now is 222.4 secs Computing kpt #: 378 total cpu time spent up to now is 222.7 secs Computing kpt #: 379 total cpu time spent up to now is 223.1 secs Computing kpt #: 380 total cpu time spent up to now is 223.4 secs Computing kpt #: 381 total cpu time spent up to now is 223.8 secs Computing kpt #: 382 total cpu time spent up to now is 224.1 secs Computing kpt #: 383 total cpu time spent up to now is 224.5 secs Computing kpt #: 384 total cpu time spent up to now is 224.8 secs Computing kpt #: 385 total cpu time spent up to now is 225.2 secs Computing kpt #: 386 total cpu time spent up to now is 225.6 secs Computing kpt #: 387 total cpu time spent up to now is 225.9 secs Computing kpt #: 388 total cpu time spent up to now is 226.3 secs Computing kpt #: 389 total cpu time spent up to now is 226.7 secs Computing kpt #: 390 total cpu time spent up to now is 227.0 secs Computing kpt #: 391 total cpu time spent up to now is 227.4 secs Computing kpt #: 392 total cpu time spent up to now is 227.9 secs Computing kpt #: 393 total cpu time spent up to now is 228.3 secs Computing kpt #: 394 total cpu time spent up to now is 228.7 secs Computing kpt #: 395 total cpu time spent up to now is 229.2 secs Computing kpt #: 396 total cpu time spent up to now is 229.6 secs Computing kpt #: 397 total cpu time spent up to now is 230.2 secs Computing kpt #: 398 total cpu time spent up to now is 230.7 secs Computing kpt #: 399 total cpu time spent up to now is 231.2 secs Computing kpt #: 400 total cpu time spent up to now is 231.6 secs Computing kpt #: 401 total cpu time spent up to now is 232.0 secs Computing kpt #: 402 total cpu time spent up to now is 232.7 secs Computing kpt #: 403 total cpu time spent up to now is 233.4 secs Computing kpt #: 404 total cpu time spent up to now is 234.2 secs Computing kpt #: 405 total cpu time spent up to now is 234.9 secs Computing kpt #: 406 total cpu time spent up to now is 235.7 secs Computing kpt #: 407 total cpu time spent up to now is 236.5 secs Computing kpt #: 408 total cpu time spent up to now is 237.2 secs Computing kpt #: 409 total cpu time spent up to now is 237.8 secs Computing kpt #: 410 total cpu time spent up to now is 238.5 secs Computing kpt #: 411 total cpu time spent up to now is 239.1 secs Computing kpt #: 412 total cpu time spent up to now is 239.8 secs Computing kpt #: 413 total cpu time spent up to now is 240.4 secs Computing kpt #: 414 total cpu time spent up to now is 241.0 secs Computing kpt #: 415 total cpu time spent up to now is 241.6 secs Computing kpt #: 416 total cpu time spent up to now is 242.3 secs Computing kpt #: 417 total cpu time spent up to now is 242.9 secs Computing kpt #: 418 total cpu time spent up to now is 243.5 secs Computing kpt #: 419 total cpu time spent up to now is 244.2 secs Computing kpt #: 420 total cpu time spent up to now is 244.8 secs Computing kpt #: 421 total cpu time spent up to now is 245.5 secs Computing kpt #: 422 total cpu time spent up to now is 246.0 secs Computing kpt #: 423 total cpu time spent up to now is 246.5 secs Computing kpt #: 424 total cpu time spent up to now is 247.2 secs Computing kpt #: 425 total cpu time spent up to now is 247.6 secs Computing kpt #: 426 total cpu time spent up to now is 248.1 secs Computing kpt #: 427 total cpu time spent up to now is 248.5 secs Computing kpt #: 428 total cpu time spent up to now is 249.0 secs Computing kpt #: 429 total cpu time spent up to now is 249.5 secs Computing kpt #: 430 total cpu time spent up to now is 250.0 secs Computing kpt #: 431 total cpu time spent up to now is 250.4 secs Computing kpt #: 432 total cpu time spent up to now is 250.8 secs ethr = 2.94E-08, avg # of iterations = 40.5 total cpu time spent up to now is 250.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3211 PWs) bands (ev): -0.9450 -0.9450 2.4301 2.4301 2.9385 2.9385 3.9994 3.9994 4.0170 4.0170 6.7656 6.7656 6.8358 6.8358 7.0581 7.0581 7.2537 7.2537 7.7368 7.7368 7.9330 7.9330 7.9767 7.9767 8.1139 8.1139 8.6557 8.6557 9.2582 9.2582 9.4279 9.4279 10.0513 10.0513 10.5906 10.5906 11.0513 11.0513 11.2167 11.2167 11.5514 11.5514 k = 0.0056 0.0165-0.0000 ( 3207 PWs) bands (ev): -0.9433 -0.9433 2.4314 2.4314 2.9395 2.9395 4.0000 4.0000 4.0170 4.0170 6.7620 6.7620 6.8350 6.8350 7.0575 7.0575 7.2539 7.2539 7.7359 7.7359 7.9336 7.9336 7.9767 7.9767 8.1134 8.1134 8.6555 8.6555 9.2553 9.2553 9.4273 9.4273 10.0501 10.0501 10.5928 10.5928 11.0519 11.0519 11.1949 11.1949 11.5675 11.5675 k = 0.0111 0.0331-0.0000 ( 3203 PWs) bands (ev): -0.9384 -0.9384 2.4355 2.4355 2.9422 2.9422 4.0021 4.0021 4.0170 4.0170 6.7510 6.7510 6.8329 6.8329 7.0558 7.0558 7.2543 7.2543 7.7334 7.7334 7.9352 7.9352 7.9767 7.9767 8.1117 8.1117 8.6549 8.6549 9.2469 9.2469 9.4256 9.4256 10.0465 10.0465 10.5994 10.5994 11.0537 11.0537 11.1419 11.1419 11.5863 11.5863 k = 0.0167 0.0496-0.0000 ( 3211 PWs) bands (ev): -0.9302 -0.9302 2.4422 2.4422 2.9467 2.9467 4.0051 4.0051 4.0172 4.0172 6.7330 6.7330 6.8292 6.8292 7.0530 7.0530 7.2550 7.2550 7.7292 7.7292 7.9372 7.9372 7.9773 7.9773 8.1089 8.1089 8.6538 8.6538 9.2332 9.2332 9.4229 9.4229 10.0405 10.0405 10.6100 10.6100 11.0547 11.0547 11.0770 11.0770 11.5928 11.5928 k = 0.0223 0.0661-0.0000 ( 3211 PWs) bands (ev): -0.9187 -0.9187 2.4516 2.4516 2.9530 2.9530 4.0085 4.0085 4.0184 4.0184 6.7082 6.7082 6.8241 6.8241 7.0491 7.0491 7.2559 7.2559 7.7234 7.7234 7.9384 7.9384 7.9790 7.9790 8.1052 8.1052 8.6524 8.6524 9.2148 9.2148 9.4193 9.4193 10.0317 10.0317 10.6245 10.6245 11.0007 11.0007 11.0638 11.0638 11.5967 11.5967 k = 0.0278 0.0826-0.0000 ( 3211 PWs) bands (ev): -0.9040 -0.9040 2.4636 2.4636 2.9611 2.9611 4.0105 4.0105 4.0220 4.0220 6.6770 6.6770 6.8174 6.8174 7.0443 7.0443 7.2569 7.2569 7.7161 7.7161 7.9379 7.9379 7.9824 7.9824 8.1007 8.1007 8.6505 8.6505 9.1924 9.1924 9.4151 9.4151 10.0202 10.0202 10.6422 10.6422 10.9281 10.9281 11.0699 11.0699 11.6004 11.6004 k = 0.0334 0.0992-0.0000 ( 3211 PWs) bands (ev): -0.8860 -0.8860 2.4783 2.4783 2.9709 2.9709 4.0109 4.0109 4.0285 4.0285 6.6399 6.6399 6.8091 6.8091 7.0386 7.0386 7.2582 7.2582 7.7074 7.7074 7.9352 7.9352 7.9873 7.9873 8.0959 8.0959 8.6482 8.6482 9.1668 9.1668 9.4105 9.4105 10.0056 10.0056 10.6627 10.6627 10.8561 10.8561 11.0783 11.0783 11.6045 11.6045 k = 0.0390 0.1157-0.0000 ( 3207 PWs) bands (ev): -0.8649 -0.8649 2.4955 2.4955 2.9825 2.9825 4.0104 4.0104 4.0367 4.0367 6.5974 6.5974 6.7993 6.7993 7.0320 7.0320 7.2595 7.2595 7.6973 7.6973 7.9305 7.9305 7.9924 7.9924 8.0913 8.0913 8.6456 8.6456 9.1388 9.1388 9.4059 9.4059 9.9878 9.9878 10.6854 10.6854 10.7861 10.7861 11.0886 11.0886 11.6092 11.6092 k = 0.0445 0.1322-0.0000 ( 3199 PWs) bands (ev): -0.8405 -0.8405 2.5153 2.5153 2.9957 2.9957 4.0095 4.0095 4.0461 4.0461 6.5499 6.5499 6.7879 6.7879 7.0245 7.0245 7.2608 7.2608 7.6859 7.6859 7.9242 7.9242 7.9963 7.9963 8.0878 8.0878 8.6425 8.6425 9.1092 9.1092 9.4015 9.4015 9.9665 9.9665 10.7061 10.7061 10.7223 10.7223 11.1012 11.1012 11.6147 11.6147 k = 0.0501 0.1488-0.0000 ( 3195 PWs) bands (ev): -0.8130 -0.8130 2.5375 2.5375 3.0104 3.0104 4.0085 4.0085 4.0564 4.0564 6.4980 6.4980 6.7749 6.7749 7.0162 7.0162 7.2620 7.2620 7.6734 7.6734 7.9166 7.9166 7.9972 7.9972 8.0868 8.0868 8.6391 8.6391 9.0787 9.0787 9.3978 9.3978 9.9415 9.9415 10.6516 10.6516 10.7378 10.7378 11.1160 11.1160 11.6212 11.6212 k = 0.0557 0.1653-0.0000 ( 3191 PWs) bands (ev): -0.7823 -0.7823 2.5621 2.5621 3.0268 3.0268 4.0075 4.0075 4.0671 4.0671 6.4423 6.4423 6.7602 6.7602 7.0072 7.0072 7.2628 7.2628 7.6600 7.6600 7.9079 7.9079 7.9940 7.9940 8.0889 8.0889 8.6354 8.6354 9.0479 9.0479 9.3950 9.3950 9.9127 9.9127 10.5894 10.5894 10.7650 10.7650 11.1330 11.1330 11.6288 11.6288 k = 0.0612 0.1818-0.0000 ( 3191 PWs) bands (ev): -0.7486 -0.7486 2.5890 2.5890 3.0446 3.0446 4.0064 4.0064 4.0782 4.0782 6.3832 6.3832 6.7438 6.7438 6.9973 6.9973 7.2633 7.2633 7.6455 7.6455 7.8984 7.8984 7.9866 7.9866 8.0940 8.0940 8.6314 8.6314 9.0174 9.0174 9.3935 9.3935 9.8799 9.8799 10.5299 10.5299 10.7932 10.7932 11.1523 11.1523 11.6377 11.6377 k = 0.0668 0.1983-0.0000 ( 3187 PWs) bands (ev): -0.7119 -0.7119 2.6181 2.6181 3.0639 3.0639 4.0054 4.0054 4.0893 4.0893 6.3212 6.3212 6.7257 6.7257 6.9868 6.9868 7.2633 7.2633 7.6303 7.6303 7.8882 7.8882 7.9757 7.9757 8.1015 8.1015 8.6271 8.6271 8.9877 8.9877 9.3935 9.3935 9.8431 9.8431 10.4732 10.4732 10.8219 10.8219 11.1738 11.1738 11.6483 11.6483 k = 0.0724 0.2149-0.0000 ( 3183 PWs) bands (ev): -0.6721 -0.6721 2.6494 2.6494 3.0845 3.0845 4.0045 4.0045 4.1001 4.1001 6.2567 6.2567 6.7058 6.7058 6.9757 6.9757 7.2625 7.2625 7.6144 7.6144 7.8775 7.8775 7.9624 7.9624 8.1103 8.1103 8.6225 8.6225 8.9591 8.9591 9.3954 9.3954 9.8023 9.8023 10.4194 10.4194 10.8508 10.8508 11.1973 11.1973 11.6608 11.6608 k = 0.0779 0.2314-0.0000 ( 3185 PWs) bands (ev): -0.6294 -0.6294 2.6827 2.6827 3.1063 3.1063 4.0038 4.0038 4.1103 4.1103 6.1901 6.1901 6.6842 6.6842 6.9642 6.9642 7.2609 7.2609 7.5979 7.5979 7.8665 7.8665 7.9474 7.9474 8.1197 8.1197 8.6177 8.6177 8.9319 8.9319 9.3993 9.3993 9.7576 9.7576 10.3682 10.3682 10.8797 10.8797 11.2224 11.2224 11.6756 11.6756 k = 0.0835 0.2479-0.0000 ( 3183 PWs) bands (ev): -0.5839 -0.5839 2.7178 2.7178 3.1292 3.1292 4.0033 4.0033 4.1198 4.1198 6.1219 6.1219 6.6608 6.6608 6.9524 6.9524 7.2583 7.2583 7.5811 7.5811 7.8553 7.8553 7.9314 7.9314 8.1292 8.1292 8.6127 8.6127 8.9060 8.9060 9.4056 9.4056 9.7092 9.7092 10.3198 10.3198 10.9083 10.9083 11.2488 11.2488 11.6931 11.6931 k = 0.0891 0.2645-0.0000 ( 3187 PWs) bands (ev): -0.5355 -0.5355 2.7546 2.7546 3.1532 3.1532 4.0030 4.0030 4.1281 4.1281 6.0523 6.0523 6.6357 6.6357 6.9405 6.9405 7.2545 7.2545 7.5640 7.5640 7.8440 7.8440 7.9148 7.9148 8.1384 8.1384 8.6076 8.6076 8.8817 8.8817 9.4143 9.4143 9.6573 9.6573 10.2739 10.2739 10.9362 10.9362 11.2760 11.2760 11.7139 11.7139 k = 0.0946 0.2810-0.0000 ( 3195 PWs) bands (ev): -0.4844 -0.4844 2.7929 2.7929 3.1781 3.1781 4.0031 4.0031 4.1351 4.1351 5.9817 5.9817 6.6087 6.6087 6.9288 6.9288 7.2494 7.2494 7.5466 7.5466 7.8329 7.8329 7.8983 7.8983 8.1473 8.1473 8.6023 8.6023 8.8588 8.8588 9.4257 9.4257 9.6023 9.6023 10.2305 10.2305 10.9632 10.9632 11.3035 11.3035 11.7384 11.7384 k = 0.1002 0.2975-0.0000 ( 3191 PWs) bands (ev): -0.4305 -0.4305 2.8325 2.8325 3.2039 3.2039 4.0037 4.0037 4.1404 4.1404 5.9104 5.9104 6.5800 6.5800 6.9176 6.9176 7.2431 7.2431 7.5292 7.5292 7.8220 7.8220 7.8821 7.8821 8.1558 8.1558 8.5968 8.5968 8.8372 8.8372 9.4397 9.4397 9.5446 9.5446 10.1894 10.1894 10.9888 10.9888 11.3304 11.3304 11.7673 11.7673 k = 0.1058 0.3140-0.0000 ( 3191 PWs) bands (ev): -0.3741 -0.3741 2.8731 2.8731 3.2303 3.2303 4.0046 4.0046 4.1440 4.1440 5.8387 5.8387 6.5496 6.5496 6.9070 6.9070 7.2353 7.2353 7.5118 7.5118 7.8112 7.8112 7.8668 7.8668 8.1636 8.1636 8.5911 8.5911 8.8167 8.8167 9.4559 9.4559 9.4853 9.4853 10.1505 10.1505 11.0127 11.0127 11.3562 11.3562 11.8010 11.8010 k = 0.1113 0.3306-0.0000 ( 3199 PWs) bands (ev): -0.3152 -0.3152 2.9144 2.9144 3.2572 3.2572 4.0062 4.0062 4.1455 4.1455 5.7668 5.7668 6.5174 6.5174 6.8975 6.8975 7.2261 7.2261 7.4944 7.4944 7.8005 7.8005 7.8525 7.8525 8.1708 8.1708 8.5852 8.5852 8.7972 8.7972 9.4217 9.4217 9.4774 9.4774 10.1137 10.1137 11.0343 11.0343 11.3803 11.3803 11.8399 11.8399 k = 0.1169 0.3471-0.0000 ( 3199 PWs) bands (ev): -0.2538 -0.2538 2.9561 2.9561 3.2845 3.2845 4.0083 4.0083 4.1452 4.1452 5.6950 5.6950 6.4836 6.4836 6.8893 6.8893 7.2155 7.2155 7.4773 7.4773 7.7900 7.7900 7.8396 7.8396 8.1774 8.1774 8.5790 8.5790 8.7784 8.7784 9.3588 9.3588 9.5000 9.5000 10.0788 10.0788 11.0533 11.0533 11.4023 11.4023 11.8843 11.8843 k = 0.1225 0.3636-0.0000 ( 3195 PWs) bands (ev): -0.1900 -0.1900 2.9976 2.9976 3.3119 3.3119 4.0111 4.0111 4.1429 4.1429 5.6235 5.6235 6.4483 6.4483 6.8825 6.8825 7.2035 7.2035 7.4605 7.4605 7.7795 7.7795 7.8284 7.8284 8.1834 8.1834 8.5725 8.5725 8.7601 8.7601 9.2950 9.2950 9.5257 9.5257 10.0457 10.0457 11.0692 11.0692 11.4218 11.4218 11.9341 11.9341 k = 0.1280 0.3802-0.0000 ( 3191 PWs) bands (ev): -0.1240 -0.1240 3.0384 3.0384 3.3394 3.3394 4.0146 4.0146 4.1390 4.1390 5.5525 5.5525 6.4115 6.4115 6.8775 6.8775 7.1903 7.1903 7.4441 7.4441 7.7691 7.7691 7.8189 7.8189 8.1887 8.1887 8.5655 8.5655 8.7422 8.7422 9.2310 9.2310 9.5544 9.5544 10.0143 10.0143 11.0815 11.0815 11.4387 11.4387 11.9893 11.9893 k = 0.1336 0.3967-0.0000 ( 3195 PWs) bands (ev): -0.0558 -0.0558 3.0779 3.0779 3.3667 3.3667 4.0188 4.0188 4.1337 4.1337 5.4822 5.4822 6.3733 6.3733 6.8744 6.8744 7.1760 7.1760 7.4281 7.4281 7.7589 7.7589 7.8110 7.8110 8.1934 8.1934 8.5578 8.5578 8.7241 8.7241 9.1677 9.1677 9.5861 9.5861 9.9845 9.9845 11.0899 11.0899 11.4529 11.4529 12.0494 12.0494 k = 0.1392 0.4132-0.0000 ( 3191 PWs) bands (ev): 0.0144 0.0144 3.1152 3.1152 3.3935 3.3935 4.0240 4.0240 4.1277 4.1277 5.4127 5.4127 6.3339 6.3339 6.8732 6.8732 7.1606 7.1606 7.4127 7.4127 7.7491 7.7491 7.8045 7.8045 8.1973 8.1973 8.5492 8.5492 8.7059 8.7059 9.1057 9.1057 9.6208 9.6208 9.9561 9.9561 11.0944 11.0944 11.4644 11.4644 12.1143 12.1143 k = 0.1447 0.4297-0.0000 ( 3185 PWs) bands (ev): 0.0866 0.0866 3.1494 3.1494 3.4196 3.4196 4.0301 4.0301 4.1217 4.1217 5.3443 5.3443 6.2936 6.2936 6.8741 6.8741 7.1445 7.1445 7.3979 7.3979 7.7398 7.7398 7.7993 7.7993 8.2006 8.2006 8.5395 8.5395 8.6874 8.6874 9.0459 9.0459 9.6583 9.6583 9.9290 9.9290 11.0951 11.0951 11.4733 11.4733 12.1833 12.1833 k = 0.1503 0.4463-0.0000 ( 3185 PWs) bands (ev): 0.1607 0.1607 3.1793 3.1793 3.4447 3.4447 4.0372 4.0372 4.1166 4.1166 5.2769 5.2769 6.2525 6.2525 6.8770 6.8770 7.1277 7.1277 7.3838 7.3838 7.7311 7.7311 7.7950 7.7950 8.2033 8.2033 8.5283 8.5283 8.6683 8.6683 8.9890 8.9890 9.6985 9.6985 9.9032 9.9032 11.0922 11.0922 11.4796 11.4796 12.2561 12.2561 k = 0.1559 0.4628-0.0000 ( 3185 PWs) bands (ev): 0.2364 0.2364 3.2037 3.2037 3.4685 3.4685 4.0454 4.0454 4.1137 4.1137 5.2109 5.2109 6.2108 6.2108 6.8817 6.8817 7.1104 7.1104 7.3703 7.3703 7.7232 7.7232 7.7915 7.7915 8.2053 8.2053 8.5153 8.5153 8.6486 8.6486 8.9358 8.9358 9.7415 9.7415 9.8786 9.8786 11.0863 11.0863 11.4834 11.4834 12.3320 12.3320 k = 0.1615 0.4793-0.0000 ( 3187 PWs) bands (ev): 0.3137 0.3137 3.2214 3.2214 3.4907 3.4907 4.0548 4.0548 4.1139 4.1139 5.1463 5.1463 6.1690 6.1690 6.8882 6.8882 7.0927 7.0927 7.3577 7.3577 7.7160 7.7160 7.7886 7.7886 8.2065 8.2065 8.4998 8.4998 8.6282 8.6282 8.8875 8.8875 9.7868 9.7868 9.8552 9.8552 11.0781 11.0781 11.4846 11.4846 12.4105 12.4105 k = 0.1670 0.4959-0.0000 ( 3193 PWs) bands (ev): 0.3925 0.3925 3.2311 3.2311 3.5109 3.5109 4.0658 4.0658 4.1185 4.1185 5.0831 5.0831 6.1273 6.1273 6.8961 6.8961 7.0750 7.0750 7.3458 7.3458 7.7098 7.7098 7.7862 7.7862 8.2070 8.2070 8.4818 8.4818 8.6071 8.6071 8.8444 8.8444 9.8256 9.8256 9.8418 9.8418 11.0683 11.0683 11.4832 11.4832 12.4905 12.4908 k = 0.1726 0.5124-0.0000 ( 3199 PWs) bands (ev): 0.4725 0.4725 3.2319 3.2319 3.5287 3.5287 4.0783 4.0783 4.1281 4.1281 5.0215 5.0215 6.0862 6.0862 6.9053 6.9053 7.0574 7.0574 7.3349 7.3349 7.7044 7.7044 7.7840 7.7840 8.2064 8.2064 8.4612 8.4612 8.5853 8.5853 8.8073 8.8073 9.8085 9.8085 9.8875 9.8875 11.0577 11.0577 11.4793 11.4793 12.5430 12.5430 k = 0.1782 0.5289-0.0000 ( 3195 PWs) bands (ev): 0.5537 0.5537 3.2234 3.2234 3.5438 3.5438 4.0925 4.0925 4.1432 4.1432 4.9617 4.9617 6.0460 6.0460 6.9154 6.9154 7.0401 7.0401 7.3248 7.3248 7.6999 7.6999 7.7822 7.7822 8.2048 8.2048 8.4384 8.4384 8.5631 8.5631 8.7762 8.7762 9.7875 9.7875 9.9402 9.9402 11.0471 11.0471 11.4728 11.4728 12.5846 12.5846 k = 0.1837 0.5454-0.0000 ( 3197 PWs) bands (ev): 0.6359 0.6359 3.2056 3.2056 3.5557 3.5557 4.1081 4.1081 4.1641 4.1641 4.9035 4.9035 6.0074 6.0074 6.9260 6.9260 7.0234 7.0234 7.3158 7.3158 7.6963 7.6963 7.7804 7.7804 8.2018 8.2018 8.4141 8.4141 8.5404 8.5404 8.7508 8.7508 9.7668 9.7668 9.9954 9.9954 11.0371 11.0371 11.4636 11.4636 12.5786 12.5786 k = 0.1893 0.5620-0.0000 ( 3201 PWs) bands (ev): 0.7189 0.7189 3.1788 3.1788 3.5640 3.5640 4.1252 4.1252 4.1904 4.1904 4.8472 4.8472 5.9707 5.9707 6.9365 6.9365 7.0075 7.0075 7.3076 7.3076 7.6935 7.6935 7.7788 7.7788 8.1971 8.1971 8.3897 8.3897 8.5176 8.5176 8.7305 8.7305 9.7466 9.7466 10.0527 10.0527 11.0284 11.0284 11.4517 11.4517 12.5511 12.5511 k = 0.1949 0.5785-0.0000 ( 3197 PWs) bands (ev): 0.8025 0.8025 3.1439 3.1439 3.5685 3.5685 4.1436 4.1436 4.2213 4.2213 4.7928 4.7928 5.9365 5.9365 6.9457 6.9457 6.9938 6.9938 7.3005 7.3005 7.6916 7.6916 7.7771 7.7771 8.1904 8.1904 8.3665 8.3665 8.4949 8.4949 8.7145 8.7145 9.7269 9.7269 10.1121 10.1121 11.0214 11.0214 11.4371 11.4371 12.5207 12.5207 k = 0.2004 0.5950-0.0000 ( 3197 PWs) bands (ev): 0.8866 0.8866 3.1018 3.1018 3.5686 3.5686 4.1635 4.1635 4.2558 4.2558 4.7403 4.7403 5.9053 5.9053 6.9501 6.9501 6.9853 6.9853 7.2944 7.2944 7.6904 7.6904 7.7755 7.7755 8.1814 8.1814 8.3458 8.3458 8.4727 8.4727 8.7020 8.7020 9.7075 9.7075 10.1732 10.1732 11.0165 11.0165 11.4197 11.4197 12.4887 12.4887 k = 0.2060 0.6115-0.0000 ( 3197 PWs) bands (ev): 0.9709 0.9709 3.0535 3.0535 3.5642 3.5642 4.1850 4.1850 4.2928 4.2928 4.6897 4.6897 5.8776 5.8776 6.9454 6.9454 6.9863 6.9863 7.2893 7.2893 7.6900 7.6900 7.7737 7.7737 8.1700 8.1700 8.3286 8.3286 8.4514 8.4514 8.6923 8.6923 9.6884 9.6884 10.2361 10.2361 11.0140 11.0140 11.3996 11.3996 12.4557 12.4557 k = 0.2116 0.6281-0.0000 ( 3197 PWs) bands (ev): 1.0552 1.0552 2.9998 2.9998 3.5548 3.5548 4.2082 4.2082 4.3311 4.3311 4.6411 4.6411 5.8538 5.8538 6.9347 6.9347 6.9935 6.9935 7.2852 7.2852 7.6903 7.6903 7.7719 7.7719 8.1567 8.1567 8.3151 8.3151 8.4313 8.4313 8.6847 8.6847 9.6696 9.6696 10.3004 10.3004 11.0141 11.0141 11.3766 11.3766 12.4220 12.4220 k = 0.2171 0.6446-0.0000 ( 3203 PWs) bands (ev): 1.1394 1.1394 2.9415 2.9415 3.5404 3.5404 4.2331 4.2331 4.3699 4.3699 4.5946 4.5946 5.8343 5.8343 6.9225 6.9225 7.0021 7.0021 7.2820 7.2820 7.6912 7.6912 7.7701 7.7701 8.1424 8.1424 8.3051 8.3051 8.4131 8.4131 8.6788 8.6788 9.6510 9.6510 10.3660 10.3660 11.0169 11.0169 11.3510 11.3510 12.3877 12.3877 k = 0.2227 0.6611-0.0000 ( 3193 PWs) bands (ev): 1.2230 1.2230 2.8795 2.8795 3.5209 3.5209 4.2598 4.2598 4.4083 4.4083 4.5501 4.5501 5.8193 5.8193 6.9104 6.9104 7.0107 7.0107 7.2799 7.2799 7.6925 7.6925 7.7683 7.7683 8.1281 8.1281 8.2979 8.2979 8.3973 8.3973 8.6744 8.6744 9.6325 9.6325 10.4328 10.4328 11.0225 11.0225 11.3225 11.3225 12.3532 12.3532 k = 0.2283 0.6777-0.0000 ( 3189 PWs) bands (ev): 1.3060 1.3060 2.8143 2.8143 3.4962 3.4962 4.2884 4.2884 4.4454 4.4454 4.5076 4.5076 5.8092 5.8092 6.8988 6.8988 7.0186 7.0186 7.2786 7.2786 7.6941 7.6941 7.7666 7.7666 8.1149 8.1149 8.2929 8.2929 8.3843 8.3843 8.6711 8.6711 9.6141 9.6141 10.5005 10.5005 11.0309 11.0309 11.2914 11.2914 12.3186 12.3186 k = 0.2338 0.6942-0.0000 ( 3193 PWs) bands (ev): 1.3879 1.3879 2.7464 2.7464 3.4666 3.4666 4.3189 4.3189 4.4672 4.4672 4.4805 4.4805 5.8039 5.8039 6.8880 6.8880 7.0256 7.0256 7.2781 7.2781 7.6960 7.6960 7.7650 7.7650 8.1037 8.1037 8.2896 8.2896 8.3745 8.3745 8.6688 8.6688 9.5957 9.5957 10.5689 10.5689 11.0420 11.0420 11.2576 11.2576 12.2842 12.2842 k = 0.2394 0.7107-0.0000 ( 3199 PWs) bands (ev): 1.4685 1.4685 2.6762 2.6762 3.4323 3.4323 4.3513 4.3513 4.4289 4.4289 4.5131 4.5131 5.8035 5.8035 6.8780 6.8780 7.0315 7.0315 7.2783 7.2783 7.6978 7.6978 7.7637 7.7637 8.0950 8.0950 8.2875 8.2875 8.3686 8.3686 8.6673 8.6673 9.5773 9.5773 10.6377 10.6377 11.0558 11.0558 11.2212 11.2212 12.2502 12.2502 k = 0.2450 0.7272-0.0000 ( 3201 PWs) bands (ev): 1.5474 1.5474 2.6042 2.6042 3.3937 3.3937 4.3856 4.3856 4.3926 4.3926 4.5425 4.5425 5.8078 5.8078 6.8690 6.8690 7.0363 7.0363 7.2792 7.2792 7.6993 7.6993 7.7628 7.7628 8.0895 8.0895 8.2864 8.2864 8.3668 8.3668 8.6664 8.6664 9.5588 9.5588 10.7068 10.7068 11.0720 11.0720 11.1824 11.1824 12.2168 12.2168 k = 0.2505 0.7438-0.0000 ( 3204 PWs) bands (ev): 1.6241 1.6241 2.5308 2.5308 3.3514 3.3514 4.3583 4.3583 4.4221 4.4221 4.5684 4.5684 5.8165 5.8165 6.8609 6.8609 7.0399 7.0399 7.2806 7.2806 7.7004 7.7004 7.7626 7.7626 8.0875 8.0875 8.2862 8.2862 8.3697 8.3697 8.6663 8.6663 9.5403 9.5403 10.7758 10.7758 11.0902 11.0902 11.1419 11.1419 12.1841 12.1841 k = 0.2561 0.7603-0.0000 ( 3196 PWs) bands (ev): 1.6983 1.6983 2.4562 2.4562 3.3059 3.3059 4.3261 4.3261 4.4605 4.4605 4.5903 4.5903 5.8296 5.8296 6.8540 6.8540 7.0424 7.0424 7.2824 7.2824 7.7008 7.7008 7.7632 7.7632 8.0892 8.0892 8.2867 8.2867 8.3775 8.3775 8.6669 8.6669 9.5217 9.5217 10.8443 10.8443 11.0922 11.0922 11.1177 11.1177 12.1525 12.1525 k = 0.2617 0.7768-0.0000 ( 3206 PWs) bands (ev): 1.7693 1.7693 2.3807 2.3807 3.2581 3.2581 4.2959 4.2959 4.5010 4.5010 4.6080 4.6080 5.8465 5.8465 6.8480 6.8480 7.0437 7.0437 7.2844 7.2844 7.7001 7.7001 7.7649 7.7649 8.0948 8.0948 8.2879 8.2879 8.3902 8.3902 8.6681 8.6681 9.5030 9.5030 10.9114 10.9114 11.0502 11.0502 11.1384 11.1384 12.1219 12.1219 k = 0.2672 0.7934-0.0000 ( 3206 PWs) bands (ev): 1.8366 1.8366 2.3046 2.3046 3.2089 3.2089 4.2677 4.2677 4.5435 4.5435 4.6212 4.6212 5.8671 5.8671 6.8431 6.8431 7.0439 7.0439 7.2864 7.2864 7.6985 7.6985 7.7678 7.7678 8.1043 8.1043 8.2899 8.2899 8.4082 8.4082 8.6700 8.6700 9.4841 9.4841 10.9685 10.9685 11.0123 11.0123 11.1641 11.1641 12.0927 12.0927 k = 0.2728 0.8099-0.0000 ( 3212 PWs) bands (ev): 1.8991 1.8991 2.2281 2.2281 3.1593 3.1593 4.2414 4.2414 4.5880 4.5880 4.6299 4.6299 5.8909 5.8909 6.8392 6.8392 7.0431 7.0431 7.2884 7.2884 7.6958 7.6958 7.7719 7.7719 8.1177 8.1177 8.2930 8.2930 8.4312 8.4312 8.6727 8.6727 9.4652 9.4652 10.9441 10.9441 11.0523 11.0523 11.1922 11.1922 12.0649 12.0649 k = 0.2784 0.8264-0.0000 ( 3206 PWs) bands (ev): 1.9559 1.9559 2.1517 2.1517 3.1104 3.1104 4.2171 4.2171 4.6312 4.6312 4.6373 4.6373 5.9176 5.9176 6.8365 6.8365 7.0413 7.0413 7.2903 7.2903 7.6921 7.6921 7.7772 7.7772 8.1344 8.1344 8.2976 8.2976 8.4593 8.4593 8.6763 8.6763 9.4462 9.4462 10.8932 10.8932 11.1152 11.1152 11.2225 11.2225 12.0388 12.0388 k = 0.2784 0.8264-0.0000 ( 3206 PWs) bands (ev): 1.9559 1.9559 2.1517 2.1517 3.1104 3.1104 4.2171 4.2171 4.6312 4.6312 4.6373 4.6373 5.9176 5.9176 6.8365 6.8365 7.0413 7.0413 7.2903 7.2903 7.6921 7.6921 7.7772 7.7772 8.1344 8.1344 8.2976 8.2976 8.4593 8.4593 8.6763 8.6763 9.4462 9.4462 10.8932 10.8932 11.1152 11.1152 11.2225 11.2225 12.0388 12.0388 k = 0.2610 0.8264-0.0000 ( 3207 PWs) bands (ev): 1.9346 1.9346 2.1785 2.1785 3.1286 3.1286 4.2246 4.2246 4.6191 4.6191 4.6328 4.6328 5.9092 5.9092 6.8373 6.8373 7.0420 7.0420 7.2875 7.2875 7.6936 7.6936 7.7764 7.7764 8.1288 8.1288 8.2959 8.2959 8.4496 8.4496 8.6751 8.6751 9.4519 9.4519 10.8929 10.8929 11.0973 11.0973 11.2336 11.2336 12.0424 12.0424 k = 0.2436 0.8264-0.0000 ( 3203 PWs) bands (ev): 1.9087 1.9087 2.2060 2.2060 3.1527 3.1527 4.2322 4.2322 4.6046 4.6046 4.6290 4.6290 5.9017 5.9017 6.8384 6.8384 7.0424 7.0424 7.2803 7.2803 7.6953 7.6953 7.7775 7.7775 8.1235 8.1235 8.2945 8.2945 8.4400 8.4400 8.6742 8.6742 9.4570 9.4570 10.8632 10.8632 11.0844 11.0844 11.2814 11.2814 12.0373 12.0374 k = 0.2262 0.8264-0.0000 ( 3202 PWs) bands (ev): 1.8817 1.8817 2.2309 2.2309 3.1824 3.1824 4.2398 4.2398 4.5903 4.5903 4.6234 4.6234 5.8952 5.8952 6.8395 6.8395 7.0426 7.0426 7.2691 7.2691 7.6974 7.6974 7.7802 7.7802 8.1187 8.1187 8.2932 8.2932 8.4307 8.4307 8.6735 8.6735 9.4611 9.4611 10.8178 10.8178 11.0771 11.0771 11.3515 11.3515 12.0240 12.0240 k = 0.2088 0.8264-0.0000 ( 3198 PWs) bands (ev): 1.8553 1.8553 2.2519 2.2519 3.2171 3.2171 4.2474 4.2474 4.5764 4.5764 4.6160 4.6160 5.8897 5.8897 6.8408 6.8408 7.0427 7.0427 7.2546 7.2546 7.6997 7.6997 7.7841 7.7841 8.1144 8.1144 8.2921 8.2921 8.4218 8.4218 8.6729 8.6729 9.4645 9.4645 10.7668 10.7668 11.0756 11.0756 11.4338 11.4338 12.0028 12.0028 k = 0.1914 0.8264-0.0000 ( 3191 PWs) bands (ev): 1.8300 1.8300 2.2689 2.2689 3.2560 3.2560 4.2550 4.2550 4.5629 4.5629 4.6066 4.6066 5.8852 5.8852 6.8421 6.8421 7.0425 7.0425 7.2376 7.2376 7.7023 7.7023 7.7888 7.7888 8.1106 8.1106 8.2912 8.2912 8.4133 8.4133 8.6725 8.6725 9.4670 9.4670 10.7152 10.7152 11.0799 11.0799 11.5229 11.5229 11.9748 11.9748 k = 0.1740 0.8264-0.0000 ( 3189 PWs) bands (ev): 1.8063 1.8063 2.2821 2.2821 3.2981 3.2981 4.2624 4.2624 4.5500 4.5500 4.5955 4.5955 5.8816 5.8816 6.8433 6.8433 7.0420 7.0420 7.2190 7.2190 7.7048 7.7048 7.7940 7.7940 8.1073 8.1073 8.2903 8.2903 8.4053 8.4053 8.6721 8.6721 9.4686 9.4686 10.6653 10.6653 11.0898 11.0898 11.6160 11.6160 11.9406 11.9406 k = 0.1566 0.8264-0.0000 ( 3187 PWs) bands (ev): 1.7844 1.7844 2.2920 2.2920 3.3422 3.3422 4.2697 4.2697 4.5378 4.5378 4.5828 4.5828 5.8787 5.8787 6.8444 6.8444 7.0412 7.0412 7.1997 7.1997 7.7072 7.7072 7.7992 7.7992 8.1045 8.1045 8.2896 8.2896 8.3979 8.3979 8.6718 8.6718 9.4695 9.4695 10.6184 10.6184 11.1051 11.1051 11.7111 11.7111 11.9012 11.9012 k = 0.1392 0.8264-0.0000 ( 3187 PWs) bands (ev): 1.7646 1.7646 2.2992 2.2992 3.3871 3.3871 4.2768 4.2768 4.5262 4.5262 4.5688 4.5688 5.8766 5.8766 6.8455 6.8455 7.0399 7.0399 7.1806 7.1806 7.7095 7.7095 7.8042 7.8042 8.1023 8.1023 8.2890 8.2890 8.3911 8.3911 8.6716 8.6716 9.4698 9.4698 10.5754 10.5754 11.1256 11.1256 11.8056 11.8056 11.8583 11.8583 k = 0.1218 0.8264-0.0000 ( 3184 PWs) bands (ev): 1.7469 1.7469 2.3043 2.3043 3.4315 3.4315 4.2835 4.2835 4.5155 4.5155 4.5539 4.5539 5.8752 5.8752 6.8465 6.8465 7.0381 7.0381 7.1625 7.1625 7.7117 7.7117 7.8088 7.8088 8.1006 8.1006 8.2885 8.2885 8.3851 8.3851 8.6714 8.6714 9.4696 9.4696 10.5367 10.5367 11.1511 11.1511 11.8084 11.8084 11.9022 11.9022 k = 0.1044 0.8264-0.0000 ( 3190 PWs) bands (ev): 1.7314 1.7314 2.3077 2.3077 3.4741 3.4741 4.2898 4.2898 4.5057 4.5057 4.5386 4.5386 5.8742 5.8742 6.8473 6.8473 7.0358 7.0358 7.1462 7.1462 7.7136 7.7136 7.8129 7.8129 8.0993 8.0993 8.2881 8.2881 8.3798 8.3798 8.6712 8.6712 9.4690 9.4690 10.5026 10.5026 11.1812 11.1812 11.7587 11.7587 11.9928 11.9928 k = 0.0870 0.8264-0.0000 ( 3190 PWs) bands (ev): 1.7182 1.7182 2.3099 2.3099 3.5134 3.5134 4.2955 4.2955 4.4970 4.4970 4.5235 4.5235 5.8736 5.8736 6.8480 6.8480 7.0329 7.0329 7.1322 7.1322 7.7152 7.7152 7.8164 7.8164 8.0984 8.0984 8.2877 8.2877 8.3752 8.3752 8.6711 8.6711 9.4681 9.4681 10.4735 10.4735 11.2156 11.2156 11.7067 11.7067 12.0782 12.0782 k = 0.0696 0.8264-0.0000 ( 3196 PWs) bands (ev): 1.7074 1.7074 2.3113 2.3113 3.5482 3.5482 4.3006 4.3006 4.4895 4.4895 4.5095 4.5095 5.8732 5.8732 6.8486 6.8486 7.0297 7.0297 7.1210 7.1210 7.7166 7.7166 7.8192 7.8192 8.0977 8.0977 8.2875 8.2875 8.3714 8.3714 8.6709 8.6709 9.4672 9.4672 10.4495 10.4495 11.2539 11.2539 11.6535 11.6535 12.1555 12.1555 k = 0.0522 0.8264-0.0000 ( 3195 PWs) bands (ev): 1.6989 1.6989 2.3120 2.3120 3.5771 3.5771 4.3047 4.3047 4.4832 4.4832 4.4973 4.4973 5.8731 5.8731 6.8490 6.8490 7.0264 7.0264 7.1126 7.1126 7.7177 7.7177 7.8214 7.8214 8.0973 8.0973 8.2873 8.2873 8.3685 8.3685 8.6708 8.6708 9.4664 9.4664 10.4307 10.4307 11.2957 11.2957 11.5998 11.5998 12.2213 12.2213 k = 0.0348 0.8264-0.0000 ( 3197 PWs) bands (ev): 1.6928 1.6928 2.3124 2.3124 3.5989 3.5989 4.3079 4.3079 4.4783 4.4783 4.4881 4.4881 5.8730 5.8730 6.8493 6.8493 7.0234 7.0234 7.1069 7.1069 7.7185 7.7185 7.8230 7.8230 8.0970 8.0970 8.2872 8.2872 8.3664 8.3664 8.6708 8.6708 9.4657 9.4657 10.4172 10.4172 11.3404 11.3404 11.5465 11.5465 12.2721 12.2721 k = 0.0174 0.8264-0.0000 ( 3198 PWs) bands (ev): 1.6892 1.6892 2.3126 2.3126 3.6124 3.6124 4.3098 4.3098 4.4749 4.4749 4.4826 4.4826 5.8730 5.8730 6.8494 6.8494 7.0214 7.0214 7.1036 7.1036 7.7190 7.7190 7.8239 7.8239 8.0969 8.0969 8.2871 8.2871 8.3651 8.3651 8.6707 8.6707 9.4653 9.4653 10.4091 10.4091 11.3868 11.3868 11.4949 11.4949 12.3044 12.3044 k = 0.0000 0.8264-0.0000 ( 3200 PWs) bands (ev): 1.6879 1.6879 2.3127 2.3127 3.6170 3.6170 4.3105 4.3105 4.4737 4.4737 4.4808 4.4808 5.8730 5.8730 6.8495 6.8495 7.0207 7.0207 7.1025 7.1025 7.7191 7.7191 7.8242 7.8242 8.0969 8.0969 8.2871 8.2871 8.3647 8.3647 8.6707 8.6707 9.4651 9.4651 10.4064 10.4064 11.4221 11.4221 11.4578 11.4578 12.3155 12.3155 k = 0.0000 0.8264-0.0000 ( 3200 PWs) bands (ev): 1.6879 1.6879 2.3127 2.3127 3.6170 3.6170 4.3105 4.3105 4.4737 4.4737 4.4808 4.4808 5.8730 5.8730 6.8495 6.8495 7.0207 7.0207 7.1025 7.1025 7.7191 7.7191 7.8242 7.8242 8.0969 8.0969 8.2871 8.2871 8.3647 8.3647 8.6707 8.6707 9.4651 9.4651 10.4064 10.4064 11.4221 11.4221 11.4578 11.4578 12.3155 12.3155 k = 0.0000 0.8264 0.0174 ( 3196 PWs) bands (ev): 1.6891 1.6891 2.3132 2.3132 3.6170 3.6170 4.3073 4.3073 4.4730 4.4730 4.4816 4.4816 5.8749 5.8749 6.8496 6.8496 7.0211 7.0211 7.1035 7.1035 7.7196 7.7196 7.8247 7.8247 8.0968 8.0968 8.2866 8.2866 8.3644 8.3644 8.6695 8.6695 9.4644 9.4644 10.4055 10.4055 11.4234 11.4234 11.4594 11.4594 12.3152 12.3152 k = 0.0000 0.8264 0.0348 ( 3196 PWs) bands (ev): 1.6924 1.6924 2.3149 2.3149 3.6169 3.6169 4.2982 4.2982 4.4697 4.4697 4.4851 4.4851 5.8806 5.8806 6.8502 6.8502 7.0224 7.0224 7.1063 7.1063 7.7210 7.7210 7.8264 7.8264 8.0965 8.0965 8.2850 8.2850 8.3636 8.3636 8.6659 8.6659 9.4621 9.4621 10.4028 10.4028 11.4272 11.4272 11.4643 11.4643 12.3144 12.3144 k = 0.0000 0.8264 0.0521 ( 3200 PWs) bands (ev): 1.6981 1.6981 2.3177 2.3177 3.6167 3.6167 4.2841 4.2841 4.4633 4.4633 4.4908 4.4908 5.8899 5.8899 6.8511 6.8511 7.0243 7.0243 7.1110 7.1110 7.7232 7.7232 7.8291 7.8291 8.0959 8.0959 8.2823 8.2823 8.3622 8.3622 8.6598 8.6598 9.4583 9.4583 10.3984 10.3984 11.4335 11.4335 11.4723 11.4723 12.3131 12.3131 k = 0.0000 0.8264 0.0695 ( 3198 PWs) bands (ev): 1.7059 1.7059 2.3215 2.3215 3.6164 3.6164 4.2661 4.2661 4.4542 4.4542 4.4973 4.4973 5.9029 5.9029 6.8525 6.8525 7.0270 7.0270 7.1177 7.1177 7.7264 7.7264 7.8329 7.8329 8.0951 8.0951 8.2787 8.2787 8.3604 8.3604 8.6514 8.6514 9.4530 9.4530 10.3921 10.3921 11.4423 11.4423 11.4832 11.4832 12.3117 12.3117 k = 0.0000 0.8264 0.0869 ( 3192 PWs) bands (ev): 1.7159 1.7159 2.3265 2.3265 3.6162 3.6162 4.2453 4.2453 4.4424 4.4424 4.5037 4.5037 5.9195 5.9195 6.8546 6.8546 7.0304 7.0304 7.1263 7.1263 7.7304 7.7304 7.8376 7.8376 8.0941 8.0941 8.2741 8.2741 8.3581 8.3581 8.6408 8.6408 9.4461 9.4461 10.3839 10.3839 11.4536 11.4536 11.4967 11.4967 12.3104 12.3104 k = 0.0000 0.8264 0.1043 ( 3192 PWs) bands (ev): 1.7281 1.7281 2.3325 2.3325 3.6158 3.6158 4.2223 4.2223 4.4282 4.4282 4.5093 4.5093 5.9396 5.9396 6.8573 6.8573 7.0345 7.0345 7.1368 7.1368 7.7351 7.7351 7.8430 7.8430 8.0929 8.0929 8.2685 8.2685 8.3552 8.3552 8.6280 8.6280 9.4377 9.4377 10.3736 10.3736 11.4673 11.4673 11.5123 11.5123 12.3096 12.3096 k = 0.0000 0.8264 0.1216 ( 3186 PWs) bands (ev): 1.7425 1.7425 2.3395 2.3395 3.6155 3.6155 4.1976 4.1976 4.4116 4.4116 4.5136 4.5136 5.9630 5.9630 6.8609 6.8609 7.0392 7.0392 7.1492 7.1492 7.7407 7.7407 7.8492 7.8492 8.0914 8.0914 8.2620 8.2620 8.3518 8.3518 8.6133 8.6133 9.4279 9.4279 10.3612 10.3612 11.4833 11.4833 11.5297 11.5297 12.3097 12.3097 k = 0.0000 0.8264 0.1390 ( 3190 PWs) bands (ev): 1.7589 1.7589 2.3474 2.3474 3.6152 3.6152 4.1717 4.1717 4.3929 4.3929 4.5163 4.5163 5.9897 5.9897 6.8655 6.8655 7.0445 7.0445 7.1634 7.1634 7.7469 7.7469 7.8557 7.8557 8.0896 8.0896 8.2546 8.2546 8.3480 8.3480 8.5965 8.5965 9.4165 9.4165 10.3466 10.3466 11.5016 11.5016 11.5482 11.5482 12.3113 12.3113 k = 0.0000 0.8264 0.1564 ( 3190 PWs) bands (ev): 1.7773 1.7773 2.3563 2.3563 3.6150 3.6150 4.1448 4.1448 4.3722 4.3722 4.5171 4.5171 6.0194 6.0194 6.8713 6.8713 7.0504 7.0504 7.1794 7.1794 7.7539 7.7539 7.8627 7.8627 8.0875 8.0875 8.2465 8.2465 8.3437 8.3437 8.5781 8.5781 9.4038 9.4038 10.3294 10.3294 11.5220 11.5220 11.5675 11.5675 12.3151 12.3151 k = 0.0000 0.8264 0.1738 ( 3192 PWs) bands (ev): 1.7977 1.7977 2.3661 2.3661 3.6148 3.6148 4.1172 4.1172 4.3496 4.3496 4.5161 4.5161 6.0520 6.0520 6.8785 6.8785 7.0569 7.0569 7.1971 7.1971 7.7614 7.7614 7.8697 7.8697 8.0851 8.0851 8.2375 8.2375 8.3390 8.3390 8.5582 8.5582 9.3897 9.3897 10.3096 10.3096 11.5442 11.5442 11.5870 11.5870 12.3217 12.3217 k = 0.0000 0.8264 0.1911 ( 3194 PWs) bands (ev): 1.8200 1.8200 2.3767 2.3767 3.6147 3.6147 4.0891 4.0891 4.3253 4.3253 4.5130 4.5130 6.0875 6.0875 6.8872 6.8872 7.0640 7.0640 7.2164 7.2164 7.7695 7.7695 7.8767 7.8767 8.0823 8.0823 8.2280 8.2280 8.3338 8.3338 8.5369 8.5369 9.3743 9.3743 10.2870 10.2870 11.5679 11.5679 11.6065 11.6065 12.3317 12.3317 k = 0.0000 0.8264 0.2085 ( 3200 PWs) bands (ev): 1.8440 1.8440 2.3881 2.3881 3.6148 3.6148 4.0606 4.0606 4.2994 4.2994 4.5078 4.5078 6.1255 6.1255 6.8976 6.8976 7.0718 7.0718 7.2372 7.2372 7.7781 7.7781 7.8833 7.8833 8.0789 8.0789 8.2179 8.2179 8.3283 8.3283 8.5145 8.5145 9.3577 9.3577 10.2612 10.2612 11.5922 11.5922 11.6261 11.6261 12.3457 12.3457 k = 0.0000 0.8264 0.2259 ( 3202 PWs) bands (ev): 1.8698 1.8698 2.4002 2.4002 3.6151 3.6151 4.0320 4.0320 4.2723 4.2723 4.5005 4.5005 6.1661 6.1661 6.9097 6.9097 7.0802 7.0802 7.2594 7.2594 7.7871 7.7871 7.8894 7.8894 8.0751 8.0751 8.2075 8.2075 8.3224 8.3224 8.4911 8.4911 9.3401 9.3401 10.2323 10.2323 11.6155 11.6155 11.6470 11.6470 12.3642 12.3642 k = 0.0000 0.8264 0.2433 ( 3202 PWs) bands (ev): 1.8973 1.8973 2.4130 2.4130 3.6157 3.6157 4.0034 4.0034 4.2440 4.2440 4.4912 4.4912 6.2089 6.2089 6.9237 6.9237 7.0893 7.0893 7.2828 7.2828 7.7964 7.7964 7.8948 7.8948 8.0706 8.0706 8.1968 8.1968 8.3163 8.3163 8.4670 8.4670 9.3214 9.3214 10.1999 10.1999 11.6357 11.6357 11.6710 11.6710 12.3874 12.3874 k = 0.0000 0.8264 0.2607 ( 3200 PWs) bands (ev): 1.9262 1.9262 2.4264 2.4264 3.6165 3.6165 3.9749 3.9749 4.2148 4.2148 4.4797 4.4797 6.2540 6.2540 6.9396 6.9396 7.0992 7.0992 7.3074 7.3074 7.8060 7.8060 7.8992 7.8992 8.0653 8.0653 8.1861 8.1862 8.3098 8.3098 8.4425 8.4425 9.3018 9.3018 10.1640 10.1640 11.6520 11.6520 11.6988 11.6988 12.4152 12.4152 k = 0.0000 0.8264 0.2780 ( 3200 PWs) bands (ev): 1.9566 1.9566 2.4402 2.4402 3.6176 3.6176 3.9467 3.9467 4.1848 4.1848 4.4662 4.4662 6.3010 6.3010 6.9576 6.9576 7.1097 7.1097 7.3331 7.3331 7.8156 7.8156 7.9024 7.9024 8.0590 8.0590 8.1756 8.1756 8.3031 8.3031 8.4178 8.4178 9.2815 9.2815 10.1246 10.1246 11.6652 11.6652 11.7291 11.7291 12.4475 12.4475 k = 0.0000 0.8264 0.2954 ( 3198 PWs) bands (ev): 1.9882 1.9882 2.4544 2.4544 3.6191 3.6191 3.9188 3.9188 4.1542 4.1542 4.4507 4.4507 6.3499 6.3499 6.9777 6.9777 7.1210 7.1210 7.3597 7.3597 7.8250 7.8250 7.9041 7.9041 8.0516 8.0516 8.1656 8.1656 8.2963 8.2963 8.3932 8.3932 9.2605 9.2605 10.0814 10.0814 11.6768 11.6768 11.7610 11.7610 12.4838 12.4838 k = 0.0000 0.8264 0.3128 ( 3202 PWs) bands (ev): 2.0210 2.0210 2.4690 2.4690 3.6209 3.6209 3.8913 3.8913 4.1233 4.1233 4.4332 4.4332 6.4004 6.4004 6.9998 6.9998 7.1330 7.1330 7.3870 7.3870 7.8340 7.8340 7.9043 7.9043 8.0429 8.0429 8.1560 8.1560 8.2893 8.2893 8.3689 8.3689 9.2392 9.2392 10.0348 10.0348 11.6874 11.6874 11.7935 11.7935 12.5232 12.5232 k = 0.0000 0.8264 0.3302 ( 3192 PWs) bands (ev): 2.0548 2.0548 2.4837 2.4837 3.6231 3.6231 3.8644 3.8644 4.0923 4.0923 4.4140 4.4140 6.4525 6.4525 7.0240 7.0240 7.1459 7.1459 7.4151 7.4151 7.8423 7.8423 7.9029 7.9029 8.0329 8.0329 8.1473 8.1473 8.2821 8.2821 8.3453 8.3453 9.2176 9.2176 9.9848 9.9848 11.6977 11.6977 11.8260 11.8260 12.5612 12.5612 k = 0.0000 0.8264 0.3475 ( 3190 PWs) bands (ev): 2.0894 2.0894 2.4986 2.4986 3.6258 3.6258 3.8382 3.8382 4.0614 4.0614 4.3930 4.3930 6.5059 6.5059 7.0502 7.0502 7.1595 7.1595 7.4437 7.4437 7.8490 7.8490 7.8999 7.8999 8.0215 8.0215 8.1394 8.1394 8.2748 8.2748 8.3228 8.3228 9.1958 9.1958 9.9316 9.9316 11.7081 11.7081 11.8578 11.8578 12.5608 12.5608 k = 0.0000 0.8264 0.3649 ( 3196 PWs) bands (ev): 2.1246 2.1246 2.5134 2.5134 3.6288 3.6288 3.8127 3.8127 4.0308 4.0308 4.3704 4.3704 6.5605 6.5605 7.0782 7.0782 7.1740 7.1740 7.4728 7.4728 7.8532 7.8532 7.8960 7.8960 8.0091 8.0091 8.1323 8.1323 8.2674 8.2674 8.3015 8.3015 9.1741 9.1741 9.8756 9.8756 11.7192 11.7192 11.8883 11.8883 12.5440 12.5440 k = 0.0000 0.8264 0.3823 ( 3194 PWs) bands (ev): 2.1604 2.1604 2.5281 2.5281 3.6321 3.6321 3.7882 3.7882 4.0009 4.0009 4.3463 4.3463 6.6160 6.6160 7.1080 7.1080 7.1896 7.1896 7.5021 7.5021 7.8534 7.8534 7.8919 7.8919 7.9961 7.9961 8.1259 8.1259 8.2596 8.2596 8.2819 8.2819 9.1527 9.1527 9.8172 9.8172 11.7310 11.7310 11.9168 11.9168 12.5306 12.5306 k = 0.0000 0.8264 0.3997 ( 3196 PWs) bands (ev): 2.1964 2.1964 2.5424 2.5424 3.6357 3.6357 3.7647 3.7647 3.9719 3.9719 4.3209 4.3209 6.6722 6.6722 7.1391 7.1391 7.2063 7.2063 7.5316 7.5316 7.8483 7.8483 7.8883 7.8883 7.9832 7.9832 8.1201 8.1201 8.2511 8.2511 8.2648 8.2648 9.1318 9.1318 9.7568 9.7568 11.7438 11.7438 11.9424 11.9424 12.5223 12.5223 k = 0.0000 0.8264 0.4170 ( 3190 PWs) bands (ev): 2.2326 2.2326 2.5563 2.5563 3.6393 3.6393 3.7424 3.7424 3.9443 3.9443 4.2943 4.2943 6.7288 6.7288 7.1710 7.1710 7.2248 7.2248 7.5611 7.5611 7.8381 7.8381 7.8837 7.8837 7.9715 7.9715 8.1146 8.1146 8.2403 8.2403 8.2517 8.2517 9.1116 9.1116 9.6949 9.6949 11.7577 11.7577 11.9645 11.9645 12.5199 12.5199 k = 0.0000 0.8264 0.4344 ( 3190 PWs) bands (ev): 2.2685 2.2685 2.5696 2.5696 3.6426 3.6426 3.7215 3.7215 3.9184 3.9184 4.2667 4.2667 6.7856 6.7856 7.2022 7.2022 7.2462 7.2462 7.5902 7.5902 7.8240 7.8240 7.8762 7.8762 7.9621 7.9621 8.1091 8.1091 8.2273 8.2273 8.2423 8.2423 9.0924 9.0924 9.6321 9.6321 11.7726 11.7726 11.9826 11.9826 12.5236 12.5236 k = 0.0000 0.8264 0.4518 ( 3182 PWs) bands (ev): 2.3041 2.3041 2.5820 2.5820 3.6450 3.6450 3.7025 3.7025 3.8950 3.8950 4.2382 4.2382 6.8423 6.8423 7.2305 7.2305 7.2727 7.2727 7.6188 7.6188 7.8072 7.8072 7.8645 7.8645 7.9554 7.9554 8.1037 8.1037 8.2146 8.2146 8.2345 8.2345 9.0744 9.0744 9.5691 9.5691 11.7885 11.7885 11.9964 11.9964 12.5336 12.5336 k = 0.0000 0.8264 0.4692 ( 3184 PWs) bands (ev): 2.3391 2.3391 2.5934 2.5934 3.6456 3.6456 3.6859 3.6859 3.8747 3.8747 4.2091 4.2091 6.8985 6.8985 7.2545 7.2545 7.3051 7.3051 7.6461 7.6461 7.7885 7.7885 7.8495 7.8495 7.9506 7.9506 8.0977 8.0977 8.2031 8.2031 8.2272 8.2272 9.0578 9.0578 9.5065 9.5065 11.8052 11.8052 12.0061 12.0061 12.5495 12.5495 k = 0.0000 0.8264 0.4865 ( 3190 PWs) bands (ev): 2.3732 2.3732 2.6034 2.6034 3.6427 3.6427 3.6729 3.6729 3.8584 3.8584 4.1795 4.1795 6.9539 6.9539 7.2755 7.2755 7.3419 7.3419 7.6710 7.6710 7.7686 7.7686 7.8329 7.8329 7.9463 7.9463 8.0909 8.0909 8.1931 8.1931 8.2202 8.2202 9.0431 9.0431 9.4449 9.4449 11.8226 11.8226 12.0120 12.0120 12.5705 12.5705 k = 0.0000 0.8264 0.5039 ( 3192 PWs) bands (ev): 2.4061 2.4061 2.6120 2.6120 3.6354 3.6354 3.6638 3.6638 3.8470 3.8470 4.1497 4.1497 7.0081 7.0081 7.2950 7.2950 7.3808 7.3808 7.6908 7.6908 7.7490 7.7490 7.8176 7.8176 7.9415 7.9415 8.0831 8.0831 8.1846 8.1846 8.2133 8.2133 9.0304 9.0304 9.3852 9.3852 11.8404 11.8404 12.0146 12.0146 12.5956 12.5956 k = 0.0000 0.8264 0.5213 ( 3194 PWs) bands (ev): 2.4377 2.4377 2.6188 2.6188 3.6258 3.6258 3.6563 3.6563 3.8412 3.8412 4.1198 4.1198 7.0608 7.0608 7.3134 7.3134 7.4206 7.4206 7.6980 7.6980 7.7342 7.7342 7.8079 7.8079 7.9354 7.9354 8.0738 8.0738 8.1778 8.1778 8.2067 8.2067 9.0203 9.0203 9.3280 9.3280 11.8583 11.8583 12.0145 12.0145 12.6239 12.6239 k = 0.0000 0.8264 0.5387 ( 3192 PWs) bands (ev): 2.4675 2.4675 2.6235 2.6235 3.6163 3.6163 3.6484 3.6484 3.8412 3.8412 4.0902 4.0902 7.1115 7.1115 7.3306 7.3306 7.4598 7.4598 7.6863 7.6863 7.7267 7.7267 7.8089 7.8089 7.9280 7.9280 8.0628 8.0628 8.1727 8.1727 8.2002 8.2002 9.0129 9.0129 9.2742 9.2742 11.8761 11.8761 12.0123 12.0123 12.6543 12.6543 k = 0.0000 0.8264 0.5561 ( 3190 PWs) bands (ev): 2.4954 2.4954 2.6260 2.6260 3.6080 3.6080 3.6394 3.6394 3.8465 3.8465 4.0609 4.0609 7.1599 7.1599 7.3460 7.3460 7.4966 7.4966 7.6663 7.6663 7.7189 7.7189 7.8186 7.8186 7.9199 7.9199 8.0500 8.0500 8.1691 8.1691 8.1941 8.1941 9.0088 9.0088 9.2243 9.2243 11.8935 11.8935 12.0083 12.0083 12.6860 12.6860 k = 0.0000 0.8264 0.5734 ( 3192 PWs) bands (ev): 2.5211 2.5211 2.6259 2.6259 3.6018 3.6018 3.6299 3.6299 3.8564 3.8564 4.0323 4.0323 7.2055 7.2055 7.3586 7.3586 7.5282 7.5282 7.6452 7.6452 7.7127 7.7127 7.8285 7.8285 7.9140 7.9140 8.0353 8.0353 8.1671 8.1671 8.1884 8.1884 9.0083 9.0083 9.1790 9.1790 11.9102 11.9102 12.0027 12.0027 12.7181 12.7181 k = 0.0000 0.8264 0.5908 ( 3196 PWs) bands (ev): 2.5443 2.5443 2.6232 2.6232 3.5977 3.5977 3.6205 3.6205 3.8702 3.8702 4.0045 4.0045 7.2477 7.2477 7.3667 7.3667 7.5513 7.5513 7.6252 7.6252 7.7142 7.7142 7.8296 7.8296 7.9155 7.9155 8.0190 8.0190 8.1664 8.1664 8.1831 8.1831 9.0118 9.0118 9.1387 9.1387 11.9261 11.9261 11.9957 11.9957 12.7501 12.7501 k = 0.0000 0.8264 0.6082 ( 3198 PWs) bands (ev): 2.5648 2.5648 2.6176 2.6176 3.5960 3.5960 3.6120 3.6120 3.8872 3.8872 3.9778 3.9778 7.2857 7.2857 7.3681 7.3681 7.5649 7.5649 7.6077 7.6077 7.7267 7.7267 7.8183 7.8183 7.9267 7.9267 8.0011 8.0011 8.1670 8.1670 8.1784 8.1784 9.0199 9.0199 9.1038 9.1038 11.9409 11.9409 11.9873 11.9873 12.7814 12.7814 k = 0.0000 0.8264 0.6256 ( 3196 PWs) bands (ev): 2.5825 2.5825 2.6089 2.6089 3.5967 3.5967 3.6049 3.6049 3.9068 3.9068 3.9524 3.9524 7.3182 7.3182 7.3607 7.3607 7.5732 7.5732 7.5931 7.5931 7.7482 7.7482 7.7981 7.7981 7.9436 7.9436 7.9822 7.9822 8.1685 8.1685 8.1744 8.1744 9.0328 9.0328 9.0746 9.0746 11.9545 11.9545 11.9777 11.9777 12.8118 12.8118 k = 0.0000 0.8264 0.6429 ( 3196 PWs) bands (ev): 2.5972 2.5972 2.5972 2.5972 3.5997 3.5997 3.5997 3.5997 3.9287 3.9287 3.9287 3.9287 7.3438 7.3438 7.3438 7.3438 7.5817 7.5817 7.5817 7.5817 7.7734 7.7734 7.7734 7.7734 7.9628 7.9628 7.9628 7.9628 8.1710 8.1710 8.1710 8.1710 9.0510 9.0510 9.0510 9.0510 11.9668 11.9668 11.9668 11.9668 12.8411 12.8411 k = 0.0000 0.8264 0.6429 ( 3196 PWs) bands (ev): 2.5972 2.5972 2.5972 2.5972 3.5997 3.5997 3.5997 3.5997 3.9287 3.9287 3.9287 3.9287 7.3438 7.3438 7.3438 7.3438 7.5817 7.5817 7.5817 7.5817 7.7734 7.7734 7.7734 7.7734 7.9628 7.9628 7.9628 7.9628 8.1710 8.1710 8.1710 8.1710 9.0510 9.0510 9.0510 9.0510 11.9668 11.9668 11.9668 11.9668 12.8411 12.8411 k = 0.0174 0.8264 0.6429 ( 3196 PWs) bands (ev): 2.5974 2.5974 2.5981 2.5981 3.5993 3.5993 3.6004 3.6004 3.9262 3.9262 3.9290 3.9290 7.3411 7.3411 7.3464 7.3464 7.5797 7.5797 7.5829 7.5829 7.7726 7.7726 7.7737 7.7737 7.9581 7.9581 7.9692 7.9692 8.1686 8.1686 8.1745 8.1745 9.0510 9.0510 9.0516 9.0516 11.9662 11.9662 11.9666 11.9666 12.8386 12.8402 k = 0.0348 0.8264 0.6429 ( 3196 PWs) bands (ev): 2.5985 2.5985 2.5998 2.5998 3.5992 3.5992 3.6013 3.6013 3.9215 3.9215 3.9272 3.9272 7.3382 7.3382 7.3487 7.3487 7.5769 7.5769 7.5832 7.5832 7.7710 7.7710 7.7734 7.7734 7.9552 7.9552 7.9774 7.9774 8.1673 8.1673 8.1789 8.1789 9.0516 9.0516 9.0530 9.0530 11.9651 11.9651 11.9659 11.9659 12.8313 12.8353 k = 0.0522 0.8264 0.6429 ( 3194 PWs) bands (ev): 2.6005 2.6005 2.6026 2.6026 3.5993 3.5993 3.6024 3.6024 3.9148 3.9148 3.9233 3.9233 7.3351 7.3351 7.3506 7.3506 7.5734 7.5734 7.5825 7.5825 7.7688 7.7688 7.7728 7.7728 7.9542 7.9542 7.9869 7.9869 8.1670 8.1670 8.1844 8.1844 9.0529 9.0529 9.0549 9.0549 11.9633 11.9633 11.9645 11.9645 12.8211 12.8234 k = 0.0696 0.8264 0.6429 ( 3196 PWs) bands (ev): 2.6034 2.6034 2.6061 2.6061 3.5996 3.5996 3.6039 3.6039 3.9061 3.9061 3.9174 3.9174 7.3320 7.3320 7.3522 7.3522 7.5693 7.5693 7.5809 7.5809 7.7660 7.7660 7.7720 7.7720 7.9548 7.9548 7.9975 7.9975 8.1677 8.1677 8.1908 8.1908 9.0548 9.0548 9.0575 9.0575 11.9610 11.9610 11.9624 11.9624 12.8081 12.8112 k = 0.0870 0.8264 0.6429 ( 3198 PWs) bands (ev): 2.6070 2.6070 2.6105 2.6105 3.6003 3.6003 3.6056 3.6056 3.8955 3.8955 3.9095 3.9095 7.3288 7.3288 7.3534 7.3534 7.5649 7.5649 7.5785 7.5785 7.7626 7.7626 7.7711 7.7711 7.9567 7.9567 8.0088 8.0088 8.1696 8.1696 8.1982 8.1982 9.0573 9.0573 9.0608 9.0608 11.9579 11.9579 11.9597 11.9597 12.7915 12.7920 k = 0.1044 0.8264 0.6429 ( 3198 PWs) bands (ev): 2.6113 2.6113 2.6156 2.6156 3.6012 3.6012 3.6076 3.6076 3.8831 3.8831 3.8999 3.8999 7.3257 7.3257 7.3542 7.3542 7.5602 7.5602 7.5755 7.5755 7.7590 7.7590 7.7700 7.7700 7.9596 7.9596 8.0205 8.0205 8.1725 8.1725 8.2065 8.2065 9.0604 9.0604 9.0646 9.0646 11.9542 11.9542 11.9564 11.9564 12.7732 12.7776 k = 0.1218 0.8264 0.6429 ( 3194 PWs) bands (ev): 2.6162 2.6162 2.6212 2.6212 3.6025 3.6025 3.6099 3.6099 3.8692 3.8692 3.8886 3.8886 7.3225 7.3225 7.3546 7.3546 7.5554 7.5554 7.5720 7.5720 7.7551 7.7551 7.7689 7.7689 7.9633 7.9633 8.0323 8.0323 8.1767 8.1767 8.2157 8.2157 9.0642 9.0642 9.0691 9.0691 11.9499 11.9499 11.9523 11.9523 12.7534 12.7539 k = 0.1392 0.8264 0.6429 ( 3190 PWs) bands (ev): 2.6214 2.6214 2.6273 2.6273 3.6041 3.6041 3.6126 3.6126 3.8540 3.8540 3.8760 3.8760 7.3194 7.3194 7.3545 7.3545 7.5507 7.5507 7.5682 7.5682 7.7511 7.7511 7.7675 7.7675 7.9675 7.9675 8.0438 8.0438 8.1819 8.1819 8.2256 8.2256 9.0685 9.0685 9.0741 9.0741 11.9450 11.9450 11.9476 11.9476 12.7324 12.7329 k = 0.1566 0.8264 0.6429 ( 3192 PWs) bands (ev): 2.6268 2.6268 2.6335 2.6335 3.6060 3.6060 3.6156 3.6156 3.8376 3.8376 3.8622 3.8622 7.3164 7.3164 7.3538 7.3538 7.5462 7.5462 7.5644 7.5644 7.7471 7.7471 7.7659 7.7659 7.9718 7.9718 8.0547 8.0547 8.1884 8.1884 8.2362 8.2362 9.0733 9.0733 9.0797 9.0797 11.9395 11.9395 11.9422 11.9422 12.7110 12.7114 k = 0.1740 0.8264 0.6429 ( 3196 PWs) bands (ev): 2.6323 2.6323 2.6398 2.6398 3.6082 3.6082 3.6191 3.6191 3.8205 3.8205 3.8476 3.8476 7.3133 7.3133 7.3527 7.3527 7.5421 7.5421 7.5606 7.5606 7.7431 7.7431 7.7639 7.7639 7.9762 7.9762 8.0647 8.0647 8.1962 8.1962 8.2474 8.2474 9.0786 9.0786 9.0857 9.0857 11.9334 11.9334 11.9363 11.9363 12.6892 12.6897 k = 0.1914 0.8264 0.6429 ( 3186 PWs) bands (ev): 2.6375 2.6375 2.6459 2.6459 3.6108 3.6108 3.6230 3.6230 3.8029 3.8029 3.8326 3.8326 7.3104 7.3104 7.3511 7.3511 7.5383 7.5383 7.5571 7.5571 7.7392 7.7392 7.7616 7.7616 7.9805 7.9805 8.0737 8.0737 8.2051 8.2051 8.2591 8.2591 9.0843 9.0843 9.0921 9.0921 11.9268 11.9268 11.9297 11.9297 12.6679 12.6681 k = 0.2088 0.8264 0.6429 ( 3186 PWs) bands (ev): 2.6422 2.6422 2.6515 2.6515 3.6135 3.6135 3.6273 3.6273 3.7851 3.7851 3.8175 3.8175 7.3074 7.3074 7.3490 7.3490 7.5351 7.5351 7.5540 7.5540 7.7355 7.7355 7.7589 7.7589 7.9844 7.9844 8.0815 8.0815 8.2151 8.2151 8.2713 8.2713 9.0902 9.0902 9.0987 9.0987 11.9197 11.9197 11.9227 11.9227 12.6473 12.6496 k = 0.2262 0.8264 0.6429 ( 3186 PWs) bands (ev): 2.6462 2.6462 2.6563 2.6563 3.6163 3.6163 3.6318 3.6318 3.7678 3.7678 3.8029 3.8029 7.3045 7.3045 7.3465 7.3465 7.5324 7.5324 7.5514 7.5514 7.7318 7.7318 7.7557 7.7557 7.9880 7.9880 8.0880 8.0880 8.2261 8.2261 8.2839 8.2839 9.0964 9.0964 9.1055 9.1055 11.9123 11.9123 11.9153 11.9153 12.6273 12.6278 k = 0.2436 0.8264 0.6429 ( 3186 PWs) bands (ev): 2.6491 2.6491 2.6601 2.6601 3.6189 3.6189 3.6363 3.6363 3.7515 3.7515 3.7894 3.7894 7.3017 7.3017 7.3435 7.3435 7.5302 7.5302 7.5493 7.5493 7.7285 7.7285 7.7521 7.7521 7.9910 7.9910 8.0933 8.0933 8.2379 8.2379 8.2968 8.2968 9.1025 9.1025 9.1124 9.1124 11.9047 11.9047 11.9075 11.9075 12.6086 12.6090 k = 0.2610 0.8264 0.6429 ( 3186 PWs) bands (ev): 2.6507 2.6507 2.6625 2.6625 3.6208 3.6208 3.6402 3.6402 3.7373 3.7373 3.7778 3.7778 7.2990 7.2990 7.3403 7.3403 7.5286 7.5286 7.5480 7.5480 7.7254 7.7254 7.7482 7.7482 7.9935 7.9935 8.0972 8.0972 8.2505 8.2505 8.3099 8.3099 9.1086 9.1086 9.1191 9.1191 11.8969 11.8969 11.8996 11.8996 12.5910 12.5916 k = 0.2784 0.8264 0.6429 ( 3186 PWs) bands (ev): 2.6508 2.6508 2.6633 2.6633 3.6215 3.6215 3.6424 3.6424 3.7266 3.7266 3.7690 3.7690 7.2964 7.2964 7.3369 7.3369 7.5273 7.5273 7.5472 7.5472 7.7228 7.7228 7.7439 7.7439 7.9953 7.9953 8.0999 8.0999 8.2636 8.2636 8.3232 8.3232 9.1145 9.1145 9.1256 9.1256 11.8890 11.8890 11.8915 11.8915 12.5752 12.5753 k = 0.2784 0.8264 0.6429 ( 3186 PWs) bands (ev): 2.6508 2.6508 2.6633 2.6633 3.6215 3.6215 3.6424 3.6424 3.7266 3.7266 3.7690 3.7690 7.2964 7.2964 7.3369 7.3369 7.5273 7.5273 7.5472 7.5472 7.7228 7.7228 7.7439 7.7439 7.9953 7.9953 8.0999 8.0999 8.2636 8.2636 8.3232 8.3232 9.1145 9.1145 9.1256 9.1256 11.8890 11.8890 11.8915 11.8915 12.5751 12.5755 k = 0.2728 0.8099 0.6429 ( 3182 PWs) bands (ev): 2.6509 2.6509 2.6615 2.6615 3.6185 3.6185 3.6345 3.6345 3.7589 3.7589 3.7954 3.7954 7.3039 7.3039 7.3477 7.3477 7.5306 7.5306 7.5488 7.5488 7.7303 7.7303 7.7575 7.7575 7.9907 7.9907 8.0927 8.0927 8.2254 8.2254 8.2840 8.2840 9.0974 9.0974 9.1065 9.1065 11.9121 11.9121 11.9153 11.9153 12.6185 12.6193 k = 0.2672 0.7934 0.6429 ( 3192 PWs) bands (ev): 2.6460 2.6460 2.6547 2.6547 3.6126 3.6126 3.6237 3.6237 3.7959 3.7959 3.8265 3.8265 7.3101 7.3101 7.3577 7.3577 7.5337 7.5337 7.5503 7.5503 7.7381 7.7381 7.7709 7.7709 7.9862 7.9862 8.0834 8.0834 8.1957 8.1957 8.2506 8.2506 9.0815 9.0815 9.0887 9.0887 11.9321 11.9321 11.9359 11.9359 12.6515 12.6517 k = 0.2617 0.7768 0.6429 ( 3188 PWs) bands (ev): 2.6359 2.6359 2.6429 2.6429 3.6074 3.6074 3.6143 3.6143 3.8332 3.8332 3.8589 3.8589 7.3151 7.3151 7.3666 7.3666 7.5362 7.5362 7.5517 7.5517 7.7465 7.7465 7.7839 7.7839 7.9819 7.9819 8.0720 8.0720 8.1751 8.1751 8.2236 8.2236 9.0670 9.0670 9.0722 9.0722 11.9490 11.9490 11.9535 11.9535 12.6727 12.6729 k = 0.2561 0.7603 0.6429 ( 3188 PWs) bands (ev): 2.6208 2.6208 2.6263 2.6263 3.6040 3.6040 3.6071 3.6071 3.8698 3.8698 3.8911 3.8911 7.3185 7.3185 7.3742 7.3742 7.5382 7.5382 7.5530 7.5530 7.7554 7.7554 7.7966 7.7966 7.9777 7.9777 8.0593 8.0593 8.1631 8.1631 8.2030 8.2030 9.0536 9.0536 9.0569 9.0569 11.9630 11.9630 11.9681 11.9681 12.6818 12.6819 k = 0.2505 0.7438 0.6429 ( 3186 PWs) bands (ev): 2.6007 2.6007 2.6048 2.6048 3.6022 3.6022 3.6028 3.6028 3.9055 3.9055 3.9226 3.9226 7.3202 7.3202 7.3800 7.3800 7.5398 7.5398 7.5543 7.5543 7.7651 7.7651 7.8087 7.8087 7.9738 7.9738 8.0471 8.0471 8.1579 8.1579 8.1888 8.1888 9.0414 9.0414 9.0427 9.0427 11.9742 11.9742 11.9799 11.9799 12.6803 12.6803 k = 0.2450 0.7272 0.6429 ( 3190 PWs) bands (ev): 2.5761 2.5761 2.5790 2.5790 3.5992 3.5992 3.6034 3.6034 3.9402 3.9402 3.9531 3.9531 7.3201 7.3201 7.3837 7.3837 7.5415 7.5415 7.5558 7.5558 7.7755 7.7755 7.8201 7.8201 7.9704 7.9704 8.0372 8.0372 8.1576 8.1576 8.1805 8.1805 9.0295 9.0295 9.0304 9.0304 11.9827 11.9827 11.9890 11.9890 12.6701 12.6701 k = 0.2394 0.7107 0.6429 ( 3190 PWs) bands (ev): 2.5472 2.5472 2.5492 2.5492 3.5974 3.5974 3.6055 3.6055 3.9741 3.9741 3.9829 3.9829 7.3183 7.3183 7.3852 7.3852 7.5436 7.5436 7.5578 7.5578 7.7863 7.7863 7.8305 7.8305 7.9677 7.9677 8.0303 8.0303 8.1612 8.1612 8.1778 8.1778 9.0175 9.0175 9.0205 9.0205 11.9886 11.9886 11.9954 11.9954 12.6534 12.6535 k = 0.2338 0.6942 0.6429 ( 3182 PWs) bands (ev): 2.5147 2.5147 2.5158 2.5158 3.5962 3.5962 3.6082 3.6082 4.0075 4.0075 4.0122 4.0122 7.3150 7.3150 7.3845 7.3845 7.5468 7.5468 7.5607 7.5607 7.7969 7.7969 7.8399 7.8399 7.9662 7.9662 8.0264 8.0264 8.1683 8.1683 8.1803 8.1803 9.0066 9.0066 9.0120 9.0120 11.9920 11.9920 11.9994 11.9994 12.6323 12.6323 k = 0.2283 0.6777 0.6429 ( 3182 PWs) bands (ev): 2.4788 2.4788 2.4793 2.4793 3.5949 3.5949 3.6109 3.6109 4.0406 4.0406 4.0413 4.0413 7.3104 7.3104 7.3817 7.3817 7.5513 7.5513 7.5644 7.5644 7.8067 7.8067 7.8478 7.8478 7.9659 7.9659 8.0252 8.0252 8.1784 8.1784 8.1875 8.1875 8.9969 8.9969 9.0047 9.0047 11.9929 11.9929 12.0008 12.0008 12.6082 12.6082 k = 0.2227 0.6611 0.6429 ( 3186 PWs) bands (ev): 2.4401 2.4401 2.4401 2.4401 3.5929 3.5929 3.6128 3.6128 4.0706 4.0706 4.0739 4.0739 7.3051 7.3051 7.3775 7.3775 7.5571 7.5571 7.5692 7.5692 7.8148 7.8148 7.8539 7.8539 7.9670 7.9670 8.0263 8.0263 8.1917 8.1917 8.1991 8.1991 8.9884 8.9884 8.9988 8.9988 11.9914 11.9914 11.9997 11.9997 12.5824 12.5825 k = 0.2171 0.6446 0.6429 ( 3190 PWs) bands (ev): 2.3985 2.3985 2.3990 2.3990 3.5895 3.5895 3.6131 3.6131 4.1005 4.1005 4.1076 4.1076 7.2996 7.2996 7.3722 7.3722 7.5644 7.5644 7.5750 7.5750 7.8208 7.8208 7.8579 7.8579 7.9697 7.9697 8.0291 8.0291 8.2080 8.2080 8.2150 8.2150 8.9813 8.9813 8.9944 8.9944 11.9874 11.9874 11.9962 11.9962 12.5561 12.5561 k = 0.2116 0.6281 0.6429 ( 3198 PWs) bands (ev): 2.3550 2.3550 2.3559 2.3559 3.5843 3.5843 3.6113 3.6113 4.1314 4.1314 4.1419 4.1419 7.2941 7.2941 7.3665 7.3665 7.5729 7.5729 7.5820 7.5820 7.8240 7.8240 7.8596 7.8596 7.9735 7.9735 8.0334 8.0334 8.2271 8.2271 8.2348 8.2348 8.9756 8.9756 8.9917 8.9917 11.9809 11.9809 11.9901 11.9901 12.5299 12.5299 k = 0.2060 0.6115 0.6429 ( 3202 PWs) bands (ev): 2.3099 2.3099 2.3111 2.3111 3.5769 3.5769 3.6070 3.6070 4.1635 4.1635 4.1772 4.1772 7.2892 7.2892 7.3610 7.3610 7.5824 7.5824 7.5898 7.5898 7.8246 7.8246 7.8587 7.8587 7.9784 7.9784 8.0387 8.0387 8.2490 8.2490 8.2583 8.2583 8.9716 8.9716 8.9908 8.9908 11.9718 11.9718 11.9814 11.9814 12.5047 12.5047 k = 0.2004 0.5950 0.6429 ( 3206 PWs) bands (ev): 2.2635 2.2635 2.2649 2.2649 3.5670 3.5670 3.5998 3.5998 4.1972 4.1972 4.2135 4.2135 7.2851 7.2851 7.3560 7.3560 7.5928 7.5928 7.5985 7.5985 7.8225 7.8225 7.8554 7.8554 7.9839 7.9839 8.0448 8.0448 8.2733 8.2733 8.2852 8.2852 8.9692 8.9692 8.9918 8.9918 11.9601 11.9601 11.9699 11.9699 12.4811 12.4811 k = 0.1949 0.5785 0.6429 ( 3214 PWs) bands (ev): 2.2160 2.2160 2.2177 2.2177 3.5546 3.5546 3.5895 3.5895 4.2324 4.2324 4.2509 4.2509 7.2821 7.2821 7.3518 7.3518 7.6038 7.6038 7.6080 7.6080 7.8181 7.8181 7.8495 7.8495 7.9897 7.9897 8.0515 8.0515 8.2994 8.2994 8.3148 8.3148 8.9687 8.9687 8.9948 8.9948 11.9456 11.9456 11.9557 11.9557 12.4595 12.4595 k = 0.1893 0.5620 0.6429 ( 3222 PWs) bands (ev): 2.1677 2.1677 2.1696 2.1696 3.5396 3.5396 3.5762 3.5762 4.2693 4.2693 4.2896 4.2896 7.2802 7.2802 7.3486 7.3486 7.6151 7.6151 7.6179 7.6179 7.8118 7.8118 7.8415 7.8415 7.9956 7.9956 8.0587 8.0587 8.3271 8.3271 8.3467 8.3467 8.9703 8.9703 9.0000 9.0000 11.9284 11.9284 11.9386 11.9386 12.4405 12.4405 k = 0.1837 0.5454 0.6429 ( 3230 PWs) bands (ev): 2.1189 2.1189 2.1209 2.1209 3.5220 3.5220 3.5599 3.5599 4.3077 4.3077 4.3294 4.3294 7.2796 7.2796 7.3464 7.3464 7.6262 7.6262 7.6281 7.6281 7.8043 7.8043 7.8315 7.8315 8.0016 8.0016 8.0663 8.0663 8.3559 8.3559 8.3803 8.3803 8.9741 8.9741 9.0075 9.0075 11.9084 11.9084 11.9186 11.9186 12.4242 12.4242 k = 0.1782 0.5289 0.6429 ( 3230 PWs) bands (ev): 2.0697 2.0697 2.0718 2.0718 3.5020 3.5020 3.5408 3.5408 4.3475 4.3475 4.3703 4.3703 7.2804 7.2804 7.3454 7.3454 7.6366 7.6366 7.6383 7.6383 7.7964 7.7964 7.8203 7.8203 8.0076 8.0076 8.0742 8.0742 8.3854 8.3854 8.4149 8.4149 8.9803 8.9803 9.0174 9.0174 11.8857 11.8857 11.8959 11.8959 12.4108 12.4108 k = 0.1726 0.5124 0.6429 ( 3222 PWs) bands (ev): 2.0203 2.0203 2.0225 2.0225 3.4797 3.4797 3.5191 3.5191 4.3887 4.3887 4.4123 4.4123 7.2824 7.2824 7.3455 7.3455 7.6453 7.6453 7.6478 7.6478 7.7892 7.7892 7.8084 7.8084 8.0137 8.0137 8.0823 8.0823 8.4154 8.4154 8.4501 8.4501 8.9892 8.9892 9.0297 9.0297 11.8604 11.8604 11.8705 11.8705 12.4003 12.4003 k = 0.1670 0.4959 0.6429 ( 3230 PWs) bands (ev): 1.9709 1.9709 1.9732 1.9732 3.4554 3.4554 3.4950 3.4950 4.4310 4.4310 4.4550 4.4550 7.2856 7.2856 7.3467 7.3467 7.6507 7.6507 7.6555 7.6555 7.7843 7.7843 7.7972 7.7972 8.0198 8.0198 8.0906 8.0906 8.4453 8.4453 8.4852 8.4852 9.0007 9.0007 9.0445 9.0445 11.8328 11.8328 11.8427 11.8427 12.3925 12.3925 k = 0.1615 0.4793 0.6429 ( 3230 PWs) bands (ev): 1.9216 1.9216 1.9240 1.9240 3.4293 3.4293 3.4689 3.4689 4.4741 4.4741 4.4985 4.4985 7.2899 7.2899 7.3489 7.3489 7.6515 7.6515 7.6602 7.6602 7.7836 7.7836 7.7884 7.7884 8.0260 8.0260 8.0989 8.0989 8.4752 8.4752 8.5198 8.5198 9.0150 9.0150 9.0617 9.0617 11.8030 11.8030 11.8128 11.8128 12.3873 12.3874 k = 0.1559 0.4628 0.6429 ( 3234 PWs) bands (ev): 1.8726 1.8726 1.8750 1.8750 3.4016 3.4016 3.4410 3.4410 4.5180 4.5180 4.5425 4.5425 7.2953 7.2953 7.3520 7.3520 7.6467 7.6467 7.6599 7.6599 7.7840 7.7840 7.7880 7.7880 8.0322 8.0322 8.1073 8.1073 8.5049 8.5049 8.5537 8.5537 9.0323 9.0323 9.0811 9.0811 11.7714 11.7714 11.7812 11.7812 12.3845 12.3845 k = 0.1503 0.4463 0.6429 ( 3230 PWs) bands (ev): 1.8240 1.8240 1.8265 1.8265 3.3726 3.3726 3.4116 3.4116 4.5624 4.5624 4.5868 4.5868 7.3015 7.3015 7.3559 7.3559 7.6368 7.6368 7.6537 7.6537 7.7852 7.7852 7.7974 7.7974 8.0385 8.0385 8.1156 8.1156 8.5343 8.5343 8.5866 8.5866 9.0524 9.0524 9.1028 9.1028 11.7384 11.7384 11.7480 11.7480 12.3837 12.3837 k = 0.1447 0.4297 0.6429 ( 3224 PWs) bands (ev): 1.7760 1.7760 1.7785 1.7785 3.3426 3.3426 3.3810 3.3810 4.6070 4.6070 4.6314 4.6314 7.3086 7.3086 7.3605 7.3605 7.6232 7.6232 7.6420 7.6420 7.7918 7.7918 7.8105 7.8105 8.0449 8.0449 8.1237 8.1237 8.5636 8.5636 8.6183 8.6183 9.0753 9.0753 9.1263 9.1263 11.7041 11.7041 11.7136 11.7136 12.3847 12.3847 k = 0.1392 0.4132 0.6429 ( 3220 PWs) bands (ev): 1.7287 1.7287 1.7312 1.7312 3.3118 3.3118 3.3494 3.3494 4.6517 4.6517 4.6758 4.6758 7.3163 7.3163 7.3656 7.3656 7.6072 7.6072 7.6265 7.6265 7.8025 7.8025 7.8263 7.8263 8.0512 8.0512 8.1317 8.1317 8.5927 8.5927 8.6490 8.6490 9.1007 9.1007 9.1516 9.1516 11.6688 11.6688 11.6784 11.6784 12.3873 12.3873 k = 0.1336 0.3967 0.6429 ( 3216 PWs) bands (ev): 1.6821 1.6821 1.6847 1.6847 3.2804 3.2804 3.3171 3.3171 4.6962 4.6962 4.7201 4.7201 7.3244 7.3244 7.3711 7.3711 7.5900 7.5900 7.6087 7.6087 7.8159 7.8159 7.8438 7.8438 8.0576 8.0576 8.1393 8.1393 8.6219 8.6219 8.6786 8.6786 9.1284 9.1284 9.1782 9.1782 11.6329 11.6329 11.6424 11.6424 12.3912 12.3913 k = 0.1280 0.3802 0.6429 ( 3216 PWs) bands (ev): 1.6365 1.6365 1.6391 1.6391 3.2486 3.2486 3.2844 3.2844 4.7404 4.7404 4.7639 4.7639 7.3327 7.3327 7.3767 7.3767 7.5724 7.5724 7.5898 7.5898 7.8311 7.8311 7.8623 7.8623 8.0639 8.0639 8.1467 8.1467 8.6512 8.6512 8.7075 8.7075 9.1581 9.1581 9.2061 9.2061 11.5965 11.5965 11.6061 11.6061 12.3964 12.3964 k = 0.1225 0.3636 0.6429 ( 3212 PWs) bands (ev): 1.5920 1.5920 1.5946 1.5946 3.2168 3.2168 3.2515 3.2515 4.7840 4.7840 4.8070 4.8070 7.3412 7.3412 7.3823 7.3823 7.5551 7.5551 7.5709 7.5709 7.8472 7.8472 7.8816 7.8816 8.0702 8.0702 8.1536 8.1536 8.6809 8.6809 8.7358 8.7358 9.1895 9.1895 9.2348 9.2348 11.5600 11.5600 11.5695 11.5695 12.4026 12.4026 k = 0.1169 0.3471 0.6429 ( 3212 PWs) bands (ev): 1.5486 1.5486 1.5512 1.5512 3.1850 3.1850 3.2186 3.2186 4.8268 4.8268 4.8494 4.8494 7.3493 7.3493 7.3873 7.3873 7.5388 7.5388 7.5525 7.5525 7.8640 7.8640 7.9010 7.9010 8.0764 8.0764 8.1602 8.1602 8.7110 8.7110 8.7637 8.7637 9.2221 9.2221 9.2643 9.2643 11.5233 11.5233 11.5330 11.5330 12.4096 12.4097 k = 0.1113 0.3306 0.6429 ( 3216 PWs) bands (ev): 1.5065 1.5065 1.5090 1.5090 3.1536 3.1536 3.1859 3.1859 4.8686 4.8686 4.8907 4.8907 7.3570 7.3570 7.3915 7.3915 7.5243 7.5243 7.5353 7.5353 7.8810 7.8810 7.9205 7.9205 8.0826 8.0826 8.1663 8.1663 8.7417 8.7417 8.7916 8.7916 9.2556 9.2556 9.2941 9.2941 11.4869 11.4869 11.4965 11.4965 12.4175 12.4175 k = 0.1058 0.3140 0.6429 ( 3224 PWs) bands (ev): 1.4657 1.4657 1.4682 1.4682 3.1226 3.1226 3.1536 3.1536 4.9093 4.9093 4.9307 4.9307 7.3636 7.3636 7.3941 7.3941 7.5122 7.5122 7.5201 7.5201 7.8981 7.8981 7.9397 7.9397 8.0887 8.0887 8.1718 8.1718 8.7730 8.7730 8.8195 8.8195 9.2897 9.2897 9.3242 9.3242 11.4507 11.4507 11.4604 11.4604 12.4261 12.4261 k = 0.1002 0.2975 0.6429 ( 3228 PWs) bands (ev): 1.4264 1.4264 1.4289 1.4289 3.0922 3.0922 3.1219 3.1219 4.9486 4.9486 4.9694 4.9694 7.3686 7.3686 7.3946 7.3946 7.5033 7.5033 7.5075 7.5075 7.9151 7.9151 7.9583 7.9583 8.0947 8.0947 8.1770 8.1770 8.8050 8.8050 8.8477 8.8477 9.3243 9.3243 9.3544 9.3544 11.4151 11.4151 11.4248 11.4248 12.4354 12.4355 k = 0.0946 0.2810 0.6429 ( 3228 PWs) bands (ev): 1.3887 1.3887 1.3911 1.3911 3.0627 3.0627 3.0909 3.0909 4.9864 4.9864 5.0066 5.0066 7.3716 7.3716 7.3926 7.3926 7.4981 7.4981 7.4982 7.4982 7.9317 7.9317 7.9763 7.9763 8.1006 8.1006 8.1816 8.1816 8.8376 8.8376 8.8761 8.8761 9.3590 9.3590 9.3846 9.3846 11.3801 11.3801 11.3897 11.3897 12.4453 12.4454 k = 0.0891 0.2645 0.6429 ( 3232 PWs) bands (ev): 1.3526 1.3526 1.3549 1.3549 3.0341 3.0341 3.0609 3.0609 5.0225 5.0225 5.0420 5.0420 7.3719 7.3719 7.3882 7.3882 7.4927 7.4927 7.4965 7.4965 7.9479 7.9479 7.9933 7.9933 8.1065 8.1065 8.1856 8.1856 8.8706 8.8706 8.9049 8.9049 9.3937 9.3937 9.4147 9.4147 11.3458 11.3458 11.3553 11.3553 12.4559 12.4559 k = 0.0835 0.2479 0.6429 ( 3228 PWs) bands (ev): 1.3182 1.3182 1.3205 1.3205 3.0067 3.0067 3.0320 3.0320 5.0568 5.0568 5.0756 5.0756 7.3698 7.3698 7.3820 7.3820 7.4910 7.4910 7.4979 7.4979 7.9635 7.9635 8.0092 8.0092 8.1124 8.1124 8.1892 8.1892 8.9040 8.9040 8.9338 8.9338 9.4283 9.4283 9.4447 9.4447 11.3124 11.3124 11.3218 11.3218 12.4670 12.4670 k = 0.0779 0.2314 0.6429 ( 3228 PWs) bands (ev): 1.2857 1.2857 1.2879 1.2879 2.9804 2.9804 3.0042 3.0042 5.0892 5.0892 5.1071 5.1071 7.3655 7.3655 7.3748 7.3748 7.4924 7.4924 7.5015 7.5015 7.9785 7.9785 8.0239 8.0239 8.1183 8.1183 8.1923 8.1923 8.9375 8.9375 8.9629 8.9629 9.4625 9.4625 9.4745 9.4745 11.2799 11.2799 11.2891 11.2891 12.4786 12.4786 k = 0.0724 0.2149 0.6429 ( 3228 PWs) bands (ev): 1.2551 1.2551 1.2571 1.2571 2.9556 2.9556 2.9778 2.9778 5.1196 5.1196 5.1367 5.1367 7.3600 7.3600 7.3673 7.3673 7.4963 7.4963 7.5065 7.5065 7.9927 7.9927 8.0373 8.0373 8.1243 8.1243 8.1949 8.1949 8.9707 8.9707 8.9918 8.9918 9.4964 9.4964 9.5039 9.5039 11.2486 11.2486 11.2576 11.2576 12.4907 12.4907 k = 0.0668 0.1983 0.6429 ( 3220 PWs) bands (ev): 1.2264 1.2264 1.2284 1.2284 2.9322 2.9322 2.9528 2.9528 5.1480 5.1480 5.1640 5.1640 7.3540 7.3540 7.3600 7.3600 7.5018 7.5018 7.5122 7.5122 8.0061 8.0061 8.0493 8.0493 8.1303 8.1303 8.1970 8.1970 9.0034 9.0034 9.0203 9.0203 9.5297 9.5297 9.5332 9.5332 11.2185 11.2185 11.2271 11.2271 12.5033 12.5034 k = 0.0612 0.1818 0.6429 ( 3220 PWs) bands (ev): 1.1998 1.1998 1.2016 1.2016 2.9104 2.9104 2.9294 2.9294 5.1741 5.1741 5.1891 5.1891 7.3480 7.3480 7.3533 7.3533 7.5082 7.5082 7.5184 7.5184 8.0187 8.0187 8.0598 8.0598 8.1363 8.1363 8.1986 8.1986 9.0351 9.0351 9.0482 9.0482 9.5621 9.5621 9.5623 9.5623 11.1898 11.1898 11.1980 11.1980 12.5163 12.5163 k = 0.0557 0.1653 0.6429 ( 3224 PWs) bands (ev): 1.1753 1.1753 1.1769 1.1769 2.8903 2.8903 2.9076 2.9076 5.1980 5.1980 5.2119 5.2119 7.3424 7.3424 7.3471 7.3471 7.5151 7.5151 7.5246 7.5246 8.0303 8.0303 8.0689 8.0689 8.1423 8.1423 8.1998 8.1998 9.0655 9.0655 9.0751 9.0751 9.5905 9.5905 9.5939 9.5939 11.1625 11.1625 11.1702 11.1702 12.5298 12.5298 k = 0.0501 0.1488 0.6429 ( 3220 PWs) bands (ev): 1.1529 1.1529 1.1544 1.1544 2.8719 2.8719 2.8875 2.8875 5.2197 5.2197 5.2325 5.2325 7.3374 7.3374 7.3418 7.3418 7.5220 7.5220 7.5308 7.5308 8.0411 8.0411 8.0766 8.0766 8.1483 8.1483 8.2006 8.2006 9.0941 9.0941 9.1006 9.1006 9.6183 9.6183 9.6244 9.6244 11.1369 11.1369 11.1439 11.1439 12.5437 12.5437 k = 0.0445 0.1322 0.6429 ( 3220 PWs) bands (ev): 1.1328 1.1328 1.1341 1.1341 2.8553 2.8553 2.8693 2.8693 5.2392 5.2392 5.2507 5.2507 7.3331 7.3331 7.3371 7.3371 7.5287 7.5287 7.5366 7.5366 8.0509 8.0509 8.0830 8.0830 8.1542 8.1542 8.2009 8.2009 9.1206 9.1206 9.1245 9.1245 9.6454 9.6454 9.6534 9.6534 11.1130 11.1130 11.1194 11.1194 12.5579 12.5580 k = 0.0390 0.1157 0.6429 ( 3224 PWs) bands (ev): 1.1149 1.1149 1.1161 1.1161 2.8407 2.8407 2.8529 2.8529 5.2564 5.2564 5.2666 5.2666 7.3295 7.3295 7.3331 7.3331 7.5350 7.5350 7.5419 7.5419 8.0598 8.0598 8.0881 8.0881 8.1598 8.1598 8.2008 8.2008 9.1445 9.1445 9.1465 9.1465 9.6713 9.6713 9.6806 9.6806 11.0911 11.0911 11.0968 11.0968 12.5726 12.5726 k = 0.0334 0.0992 0.6429 ( 3220 PWs) bands (ev): 1.0993 1.0993 1.1004 1.1004 2.8280 2.8280 2.8385 2.8385 5.2713 5.2713 5.2802 5.2802 7.3266 7.3266 7.3299 7.3299 7.5408 7.5408 7.5467 7.5467 8.0678 8.0678 8.0921 8.0921 8.1653 8.1653 8.2004 8.2004 9.1657 9.1657 9.1661 9.1661 9.6956 9.6956 9.7055 9.7055 11.0714 11.0714 11.0763 11.0763 12.5877 12.5878 k = 0.0278 0.0826 0.6429 ( 3224 PWs) bands (ev): 1.0861 1.0861 1.0870 1.0870 2.8173 2.8173 2.8260 2.8260 5.2840 5.2840 5.2915 5.2915 7.3243 7.3243 7.3272 7.3272 7.5460 7.5460 7.5509 7.5509 8.0748 8.0748 8.0951 8.0951 8.1703 8.1703 8.1995 8.1995 9.1833 9.1833 9.1839 9.1839 9.7179 9.7179 9.7276 9.7276 11.0541 11.0541 11.0583 11.0583 12.6034 12.6035 k = 0.0223 0.0661 0.6429 ( 3216 PWs) bands (ev): 1.0752 1.0752 1.0760 1.0760 2.8086 2.8086 2.8156 2.8156 5.2946 5.2946 5.3006 5.3006 7.3226 7.3226 7.3250 7.3250 7.5504 7.5504 7.5543 7.5543 8.0809 8.0809 8.0971 8.0971 8.1751 8.1751 8.1983 8.1983 9.1977 9.1977 9.1988 9.1988 9.7376 9.7376 9.7463 9.7463 11.0396 11.0396 11.0429 11.0429 12.6199 12.6199 k = 0.0167 0.0496 0.6429 ( 3216 PWs) bands (ev): 1.0668 1.0668 1.0674 1.0674 2.8020 2.8020 2.8073 2.8073 5.3029 5.3029 5.3075 5.3075 7.3215 7.3215 7.3233 7.3233 7.5541 7.5541 7.5570 7.5570 8.0860 8.0860 8.0982 8.0982 8.1794 8.1794 8.1968 8.1968 9.2092 9.2092 9.2104 9.2104 9.7541 9.7541 9.7612 9.7612 11.0279 11.0279 11.0304 11.0304 12.6370 12.6371 k = 0.0111 0.0331 0.6429 ( 3216 PWs) bands (ev): 1.0608 1.0608 1.0612 1.0612 2.7976 2.7976 2.8011 2.8011 5.3091 5.3091 5.3121 5.3121 7.3208 7.3208 7.3220 7.3220 7.5568 7.5568 7.5587 7.5587 8.0903 8.0903 8.0984 8.0984 8.1833 8.1833 8.1948 8.1948 9.2176 9.2176 9.2186 9.2186 9.7667 9.7667 9.7718 9.7718 11.0196 11.0196 11.0212 11.0212 12.6549 12.6549 k = 0.0056 0.0165 0.6429 ( 3220 PWs) bands (ev): 1.0572 1.0572 1.0574 1.0574 2.7952 2.7952 2.7970 2.7970 5.3130 5.3130 5.3146 5.3146 7.3205 7.3205 7.3211 7.3211 7.5587 7.5587 7.5596 7.5596 8.0936 8.0936 8.0977 8.0977 8.1868 8.1868 8.1925 8.1925 9.2229 9.2229 9.2234 9.2234 9.7751 9.7751 9.7777 9.7777 11.0146 11.0146 11.0154 11.0154 12.6725 12.6726 k = 0.0000 0.0000 0.6429 ( 3222 PWs) bands (ev): 1.0561 1.0561 1.0561 1.0561 2.7951 2.7951 2.7951 2.7951 5.3149 5.3149 5.3149 5.3149 7.3206 7.3206 7.3206 7.3206 7.5596 7.5596 7.5596 7.5596 8.0961 8.0961 8.0961 8.0961 8.1898 8.1898 8.1898 8.1898 9.2248 9.2248 9.2248 9.2248 9.7788 9.7788 9.7788 9.7788 11.0132 11.0132 11.0132 11.0132 12.6864 12.6864 k = 0.0000 0.0000 0.6429 ( 3222 PWs) bands (ev): 1.0561 1.0561 1.0561 1.0561 2.7951 2.7951 2.7951 2.7951 5.3149 5.3149 5.3149 5.3149 7.3206 7.3206 7.3206 7.3206 7.5596 7.5596 7.5596 7.5596 8.0961 8.0961 8.0961 8.0961 8.1898 8.1898 8.1898 8.1898 9.2248 9.2248 9.2248 9.2248 9.7788 9.7788 9.7788 9.7788 11.0132 11.0132 11.0132 11.0132 12.6864 12.6864 k = 0.0000 0.0000 0.6256 ( 3220 PWs) bands (ev): 0.9639 0.9639 1.1488 1.1488 2.7917 2.7917 2.7987 2.7987 5.2654 5.2654 5.3651 5.3651 7.3087 7.3087 7.3316 7.3316 7.5576 7.5576 7.5609 7.5609 8.0715 8.0715 8.1064 8.1064 8.1870 8.1870 8.2082 8.2082 9.2111 9.2111 9.2391 9.2391 9.7444 9.7444 9.8149 9.8149 10.9421 10.9421 11.0829 11.0829 12.6282 12.6282 k = 0.0000 0.0000 0.6082 ( 3216 PWs) bands (ev): 0.8725 0.8725 1.2420 1.2420 2.7887 2.7887 2.8025 2.8025 5.2169 5.2169 5.4160 5.4160 7.2960 7.2960 7.3416 7.3416 7.5551 7.5551 7.5614 7.5614 8.0419 8.0419 8.0980 8.0980 8.2041 8.2041 8.2329 8.2329 9.1978 9.1978 9.2540 9.2540 9.7119 9.7119 9.8523 9.8523 10.8702 10.8702 11.1505 11.1505 12.5692 12.5692 k = 0.0000 0.0000 0.5908 ( 3224 PWs) bands (ev): 0.7821 0.7821 1.3353 1.3353 2.7859 2.7859 2.8065 2.8065 5.1691 5.1691 5.4675 5.4675 7.2823 7.2823 7.3504 7.3504 7.5521 7.5521 7.5608 7.5608 8.0107 8.0107 8.0815 8.0815 8.2306 8.2306 8.2601 8.2601 9.1852 9.1852 9.2695 9.2695 9.6819 9.6819 9.8907 9.8907 10.7981 10.7981 11.2154 11.2154 12.5097 12.5097 k = 0.0000 0.0000 0.5734 ( 3224 PWs) bands (ev): 0.6928 0.6928 1.4285 1.4285 2.7836 2.7836 2.8107 2.8107 5.1224 5.1224 5.5194 5.5194 7.2680 7.2680 7.3581 7.3581 7.5488 7.5488 7.5592 7.5592 7.9794 7.9794 8.0638 8.0638 8.2594 8.2594 8.2887 8.2887 9.1731 9.1731 9.2856 9.2856 9.6548 9.6548 9.9298 9.9298 10.7262 10.7262 11.2768 11.2768 12.4501 12.4501 k = 0.0000 0.0000 0.5561 ( 3224 PWs) bands (ev): 0.6049 0.6049 1.5212 1.5212 2.7819 2.7819 2.8151 2.8151 5.0767 5.0767 5.5718 5.5718 7.2530 7.2530 7.3645 7.3645 7.5451 7.5451 7.5566 7.5566 7.9487 7.9487 8.0471 8.0471 8.2880 8.2880 8.3178 8.3178 9.1617 9.1617 9.3024 9.3024 9.6311 9.6311 9.9693 9.9693 10.6551 10.6551 11.3342 11.3342 12.3907 12.3907 k = 0.0000 0.0000 0.5387 ( 3224 PWs) bands (ev): 0.5183 0.5183 1.6133 1.6133 2.7808 2.7808 2.8196 2.8196 5.0320 5.0320 5.6244 5.6244 7.2374 7.2374 7.3695 7.3695 7.5407 7.5407 7.5531 7.5531 7.9190 7.9190 8.0323 8.0323 8.3151 8.3151 8.3472 8.3472 9.1510 9.1510 9.3200 9.3200 9.6113 9.6113 10.0090 10.0090 10.5850 10.5850 11.3870 11.3870 12.3316 12.3316 k = 0.0000 0.0000 0.5213 ( 3224 PWs) bands (ev): 0.4334 0.4334 1.7041 1.7041 2.7806 2.7806 2.8243 2.8243 4.9884 4.9884 5.6773 5.6773 7.2213 7.2213 7.3731 7.3731 7.5352 7.5352 7.5494 7.5494 7.8907 7.8907 8.0198 8.0198 8.3397 8.3397 8.3767 8.3767 9.1411 9.1411 9.3384 9.3384 9.5961 9.5961 10.0486 10.0486 10.5162 10.5162 11.4346 11.4346 12.2732 12.2732 k = 0.0000 0.0000 0.5039 ( 3222 PWs) bands (ev): 0.3501 0.3501 1.7934 1.7934 2.7816 2.7816 2.8292 2.8292 4.9460 4.9460 5.7301 5.7301 7.2049 7.2049 7.3750 7.3750 7.5279 7.5279 7.5462 7.5462 7.8643 7.8643 8.0097 8.0097 8.3613 8.3613 8.4058 8.4058 9.1322 9.1322 9.3577 9.3577 9.5860 9.5860 10.0879 10.0879 10.4490 10.4490 11.4768 11.4768 12.2156 12.2156 k = 0.0000 0.0000 0.4865 ( 3222 PWs) bands (ev): 0.2687 0.2687 1.8805 1.8805 2.7841 2.7841 2.8343 2.8343 4.9046 4.9046 5.7830 5.7830 7.1881 7.1881 7.3751 7.3751 7.5187 7.5187 7.5439 7.5439 7.8399 7.8399 8.0020 8.0020 8.3793 8.3793 8.4343 8.4343 9.1243 9.1243 9.3780 9.3780 9.5815 9.5815 10.1266 10.1266 10.3835 10.3835 11.5132 11.5132 12.1592 12.1592 k = 0.0000 0.0000 0.4692 ( 3220 PWs) bands (ev): 0.1892 0.1892 1.9646 1.9646 2.7885 2.7885 2.8395 2.8395 4.8644 4.8644 5.8356 5.8356 7.1710 7.1710 7.3734 7.3734 7.5077 7.5077 7.5424 7.5424 7.8181 7.8181 7.9967 7.9967 8.3933 8.3933 8.4618 8.4618 9.1176 9.1176 9.3993 9.3993 9.5831 9.5831 10.1645 10.1645 10.3197 10.3197 11.5437 11.5437 12.1042 12.1042 k = 0.0000 0.0000 0.4518 ( 3220 PWs) bands (ev): 0.1118 0.1118 2.0450 2.0450 2.7956 2.7956 2.8450 2.8450 4.8252 4.8252 5.8879 5.8879 7.1539 7.1539 7.3695 7.3695 7.4953 7.4953 7.5417 7.5417 7.7990 7.7990 7.9935 7.9935 8.4030 8.4030 8.4881 8.4881 9.1123 9.1123 9.4218 9.4218 9.5911 9.5911 10.2011 10.2011 10.2581 10.2581 11.5682 11.5682 12.0508 12.0508 k = 0.0000 0.0000 0.4344 ( 3204 PWs) bands (ev): 0.0365 0.0365 2.1206 2.1206 2.8061 2.8061 2.8509 2.8509 4.7872 4.7872 5.9398 5.9398 7.1367 7.1367 7.3634 7.3634 7.4817 7.4817 7.5420 7.5420 7.7831 7.7831 7.9923 7.9923 8.4083 8.4083 8.5129 8.5129 9.1085 9.1085 9.4455 9.4455 9.6058 9.6058 10.1962 10.1962 10.2387 10.2387 11.5869 11.5869 11.9996 11.9996 k = 0.0000 0.0000 0.4170 ( 3212 PWs) bands (ev): -0.0365 -0.0365 2.1900 2.1900 2.8206 2.8206 2.8575 2.8575 4.7503 4.7503 5.9911 5.9911 7.1196 7.1196 7.3551 7.3551 7.4672 7.4672 7.5429 7.5429 7.7705 7.7705 7.9927 7.9927 8.4090 8.4090 8.5361 8.5361 9.1063 9.1063 9.4703 9.4703 9.6271 9.6271 10.1382 10.1382 10.2726 10.2726 11.5996 11.5996 11.9508 11.9508 k = 0.0000 0.0000 0.3997 ( 3212 PWs) bands (ev): -0.1072 -0.1072 2.2520 2.2520 2.8387 2.8387 2.8665 2.8665 4.7144 4.7144 6.0417 6.0417 7.1026 7.1026 7.3447 7.3447 7.4523 7.4523 7.5446 7.5446 7.7613 7.7613 7.9946 7.9946 8.4055 8.4055 8.5575 8.5575 9.1058 9.1058 9.4964 9.4964 9.6548 9.6548 10.0814 10.0814 10.3055 10.3055 11.6065 11.6065 11.9051 11.9051 k = 0.0000 0.0000 0.3823 ( 3208 PWs) bands (ev): -0.1755 -0.1755 2.3054 2.3054 2.8550 2.8550 2.8843 2.8843 4.6796 4.6796 6.0915 6.0915 7.0858 7.0858 7.3321 7.3321 7.4372 7.4372 7.5470 7.5470 7.7554 7.7554 7.9976 7.9976 8.3979 8.3979 8.5769 8.5769 9.1073 9.1073 9.5236 9.5236 9.6888 9.6888 10.0262 10.0262 10.3368 10.3368 11.6073 11.6073 11.8631 11.8631 k = 0.0000 0.0000 0.3649 ( 3206 PWs) bands (ev): -0.2412 -0.2412 2.3492 2.3492 2.8648 2.8648 2.9163 2.9163 4.6456 4.6456 6.1404 6.1404 7.0694 7.0694 7.3178 7.3178 7.4221 7.4221 7.5502 7.5502 7.7528 7.7528 8.0016 8.0016 8.3867 8.3867 8.5944 8.5944 9.1108 9.1108 9.5519 9.5519 9.7286 9.7286 9.9725 9.9725 10.3663 10.3663 11.6018 11.6018 11.8256 11.8256 k = 0.0000 0.0000 0.3475 ( 3214 PWs) bands (ev): -0.3044 -0.3044 2.3837 2.3837 2.8717 2.8717 2.9586 2.9586 4.6126 4.6126 6.1881 6.1881 7.0532 7.0532 7.3018 7.3018 7.4073 7.4073 7.5542 7.5542 7.7532 7.7532 8.0064 8.0064 8.3723 8.3723 8.6099 8.6099 9.1163 9.1163 9.5813 9.5813 9.7735 9.7735 9.9204 9.9204 10.3939 10.3939 11.5901 11.5901 11.7932 11.7932 k = 0.0000 0.0000 0.3302 ( 3208 PWs) bands (ev): -0.3650 -0.3650 2.4095 2.4095 2.8777 2.8777 3.0083 3.0083 4.5805 4.5805 6.2347 6.2347 7.0376 7.0376 7.2846 7.2846 7.3930 7.3930 7.5588 7.5588 7.7565 7.7565 8.0117 8.0117 8.3552 8.3552 8.6234 8.6234 9.1240 9.1240 9.6115 9.6115 9.8217 9.8217 9.8714 9.8714 10.4194 10.4194 11.5724 11.5724 11.7662 11.7662 k = 0.0000 0.0000 0.3128 ( 3216 PWs) bands (ev): -0.4228 -0.4228 2.4280 2.4280 2.8833 2.8833 3.0636 3.0636 4.5491 4.5491 6.2800 6.2800 7.0224 7.0224 7.2666 7.2666 7.3791 7.3791 7.5642 7.5642 7.7623 7.7623 8.0173 8.0173 8.3357 8.3357 8.6348 8.6348 9.1339 9.1339 9.6424 9.6424 9.8163 9.8163 9.8818 9.8818 10.4429 10.4429 11.5497 11.5497 11.7440 11.7440 k = 0.0000 0.0000 0.2954 ( 3216 PWs) bands (ev): -0.4779 -0.4779 2.4406 2.4406 2.8886 2.8886 3.1226 3.1226 4.5184 4.5184 6.3238 6.3238 7.0077 7.0077 7.2482 7.2482 7.3659 7.3659 7.5704 7.5704 7.7703 7.7703 8.0232 8.0232 8.3145 8.3145 8.6444 8.6444 9.1459 9.1459 9.6736 9.6736 9.7695 9.7695 9.9391 9.9391 10.4643 10.4643 11.5236 11.5236 11.7256 11.7256 k = 0.0000 0.0000 0.2780 ( 3216 PWs) bands (ev): -0.5301 -0.5301 2.4487 2.4487 2.8937 2.8937 3.1839 3.1839 4.4884 4.4884 6.3661 6.3661 6.9936 6.9936 7.2295 7.2295 7.3533 7.3533 7.5774 7.5774 7.7802 7.7802 8.0291 8.0291 8.2919 8.2919 8.6521 8.6521 9.1599 9.1599 9.7022 9.7022 9.7259 9.7259 10.0010 10.0010 10.4836 10.4836 11.4955 11.4955 11.7099 11.7099 k = 0.0000 0.0000 0.2607 ( 3212 PWs) bands (ev): -0.5794 -0.5794 2.4533 2.4533 2.8986 2.8986 3.2463 3.2463 4.4589 4.4589 6.4068 6.4068 6.9800 6.9800 7.2110 7.2110 7.3414 7.3414 7.5851 7.5851 7.7917 7.7917 8.0349 8.0349 8.2684 8.2684 8.6581 8.6581 9.1760 9.1760 9.6744 9.6744 9.7399 9.7399 10.0662 10.0662 10.5009 10.5009 11.4667 11.4667 11.6960 11.6960 k = 0.0000 0.0000 0.2433 ( 3198 PWs) bands (ev): -0.6257 -0.6257 2.4555 2.4555 2.9034 2.9034 3.3089 3.3089 4.4299 4.4299 6.4458 6.4458 6.9670 6.9670 7.1930 7.1930 7.3302 7.3302 7.5936 7.5936 7.8047 7.8047 8.0405 8.0405 8.2442 8.2442 8.6625 8.6625 9.1939 9.1939 9.6304 9.6304 9.7713 9.7713 10.1342 10.1342 10.5162 10.5162 11.4381 11.4381 11.6834 11.6835 k = 0.0000 0.0000 0.2259 ( 3204 PWs) bands (ev): -0.6691 -0.6691 2.4558 2.4558 2.9079 2.9079 3.3708 3.3708 4.4013 4.4013 6.4828 6.4828 6.9545 6.9545 7.1755 7.1755 7.3197 7.3197 7.6028 7.6028 7.8187 7.8187 8.0457 8.0457 8.2198 8.2198 8.6656 8.6656 9.2134 9.2134 9.5874 9.5874 9.8027 9.8027 10.2046 10.2046 10.5296 10.5296 11.4102 11.4102 11.6718 11.6718 k = 0.0000 0.0000 0.2085 ( 3202 PWs) bands (ev): -0.7095 -0.7095 2.4548 2.4548 2.9121 2.9121 3.4317 3.4317 4.3729 4.3729 6.5180 6.5180 6.9426 6.9426 7.1589 7.1589 7.3100 7.3100 7.6129 7.6129 7.8334 7.8334 8.0501 8.0501 8.1958 8.1958 8.6674 8.6674 9.2341 9.2341 9.5457 9.5457 9.8336 9.8336 10.2770 10.2770 10.5413 10.5413 11.3836 11.3836 11.6609 11.6609 k = 0.0000 0.0000 0.1911 ( 3202 PWs) bands (ev): -0.7467 -0.7467 2.4529 2.4529 2.9161 2.9161 3.4910 3.4910 4.3447 4.3447 6.5512 6.5512 6.9312 6.9312 7.1432 7.1432 7.3010 7.3010 7.6236 7.6236 7.8486 7.8486 8.0533 8.0533 8.1728 8.1728 8.6681 8.6681 9.2559 9.2559 9.5058 9.5058 9.8637 9.8637 10.3510 10.3510 10.5515 10.5515 11.3584 11.3584 11.6506 11.6506 k = 0.0000 0.0000 0.1738 ( 3199 PWs) bands (ev): -0.7808 -0.7808 2.4504 2.4504 2.9198 2.9198 3.5486 3.5486 4.3166 4.3166 6.5824 6.5824 6.9202 6.9202 7.1286 7.1286 7.2928 7.2928 7.6350 7.6350 7.8639 7.8639 8.0545 8.0545 8.1516 8.1516 8.6679 8.6679 9.2783 9.2783 9.4678 9.4678 9.8925 9.8925 10.4261 10.4261 10.5603 10.5603 11.3350 11.3350 11.6411 11.6411 k = 0.0000 0.0000 0.1564 ( 3199 PWs) bands (ev): -0.8118 -0.8118 2.4476 2.4476 2.9233 2.9233 3.6041 3.6041 4.2884 4.2884 6.6115 6.6115 6.9096 6.9096 7.1153 7.1153 7.2853 7.2853 7.6470 7.6470 7.8790 7.8790 8.0526 8.0526 8.1339 8.1339 8.6671 8.6671 9.3008 9.3008 9.4320 9.4320 9.9199 9.9199 10.5015 10.5015 10.5686 10.5686 11.3134 11.3134 11.6322 11.6322 k = 0.0000 0.0000 0.1390 ( 3201 PWs) bands (ev): -0.8396 -0.8396 2.4446 2.4446 2.9264 2.9264 3.6575 3.6575 4.2600 4.2600 6.6385 6.6385 6.8993 6.8993 7.1032 7.1032 7.2787 7.2787 7.6594 7.6594 7.8936 7.8936 8.0459 8.0459 8.1211 8.1211 8.6658 8.6658 9.3229 9.3229 9.3987 9.3987 9.9453 9.9453 10.5640 10.5640 10.5889 10.5889 11.2937 11.2937 11.6241 11.6241 k = 0.0000 0.0000 0.1216 ( 3207 PWs) bands (ev): -0.8642 -0.8642 2.4417 2.4417 2.9291 2.9291 3.7088 3.7088 4.2313 4.2313 6.6634 6.6634 6.8892 6.8892 7.0926 7.0926 7.2728 7.2728 7.6721 7.6721 7.9071 7.9071 8.0344 8.0344 8.1140 8.1140 8.6642 8.6642 9.3435 9.3435 9.3688 9.3688 9.9687 9.9687 10.5756 10.5756 10.6591 10.6591 11.2760 11.2760 11.6166 11.6166 k = 0.0000 0.0000 0.1043 ( 3207 PWs) bands (ev): -0.8856 -0.8856 2.4389 2.4389 2.9316 2.9316 3.7578 3.7578 4.2022 4.2022 6.6861 6.6861 6.8794 6.8794 7.0833 7.0833 7.2678 7.2678 7.6850 7.6850 7.9193 7.9193 8.0196 8.0196 8.1112 8.1112 8.6624 8.6624 9.3392 9.3392 9.3656 9.3656 9.9896 9.9896 10.5803 10.5803 10.7344 10.7344 11.2606 11.2606 11.6099 11.6099 k = 0.0000 0.0000 0.0869 ( 3207 PWs) bands (ev): -0.9037 -0.9037 2.4364 2.4364 2.9337 2.9337 3.8046 3.8046 4.1724 4.1724 6.7067 6.7067 6.8698 6.8698 7.0756 7.0756 7.2635 7.2635 7.6976 7.6976 7.9294 7.9294 8.0043 8.0043 8.1107 8.1107 8.6606 8.6606 9.3158 9.3158 9.3829 9.3829 10.0079 10.0079 10.5838 10.5838 10.8084 10.8084 11.2473 11.2473 11.6038 11.6038 k = 0.0000 0.0000 0.0695 ( 3211 PWs) bands (ev): -0.9185 -0.9185 2.4342 2.4342 2.9354 2.9354 3.8492 3.8492 4.1419 4.1419 6.7250 6.7250 6.8604 6.8604 7.0692 7.0692 7.2600 7.2600 7.7096 7.7096 7.9365 7.9365 7.9908 7.9908 8.1113 8.1113 8.6590 8.6590 9.2956 9.2956 9.3983 9.3983 10.0231 10.0231 10.5864 10.5864 10.8792 10.8792 11.2364 11.2364 11.5980 11.5980 k = 0.0000 0.0000 0.0521 ( 3215 PWs) bands (ev): -0.9301 -0.9301 2.4324 2.4324 2.9368 2.9368 3.8916 3.8916 4.1104 4.1104 6.7408 6.7408 6.8516 6.8516 7.0643 7.0643 7.2572 7.2572 7.7204 7.7204 7.9393 7.9393 7.9815 7.9815 8.1122 8.1122 8.6576 8.6576 9.2795 9.2795 9.4109 9.4109 10.0353 10.0353 10.5883 10.5883 10.9441 10.9441 11.2277 11.2277 11.5914 11.5914 k = 0.0000 0.0000 0.0348 ( 3213 PWs) bands (ev): -0.9384 -0.9384 2.4311 2.4311 2.9377 2.9377 3.9320 3.9320 4.0780 4.0780 6.7536 6.7536 6.8437 6.8437 7.0608 7.0608 7.2553 7.2553 7.7290 7.7290 7.9376 7.9376 7.9774 7.9774 8.1131 8.1131 8.6565 8.6565 9.2677 9.2677 9.4203 9.4203 10.0441 10.0441 10.5896 10.5896 10.9990 10.9990 11.2216 11.2216 11.5802 11.5802 k = 0.0000 0.0000 0.0174 ( 3209 PWs) bands (ev): -0.9433 -0.9433 2.4303 2.4303 2.9383 2.9383 3.9702 3.9702 4.0446 4.0446 6.7624 6.7624 6.8380 6.8380 7.0588 7.0588 7.2542 7.2542 7.7348 7.7348 7.9345 7.9345 7.9767 7.9767 8.1137 8.1137 8.6559 8.6559 9.2606 9.2606 9.4260 9.4260 10.0495 10.0495 10.5903 10.5903 11.0373 11.0373 11.2179 11.2179 11.5613 11.5613 k = 0.0000 0.0000 0.0000 ( 3211 PWs) bands (ev): -0.9450 -0.9450 2.4301 2.4301 2.9385 2.9385 3.9994 3.9994 4.0170 4.0170 6.7656 6.7656 6.8358 6.8358 7.0581 7.0581 7.2537 7.2537 7.7368 7.7368 7.9330 7.9330 7.9767 7.9767 8.1139 8.1139 8.6557 8.6557 9.2582 9.2582 9.4279 9.4279 10.0513 10.0513 10.5906 10.5906 11.0513 11.0513 11.2167 11.2167 11.5514 11.5514 k = 0.0000 0.0000 0.0000 ( 3211 PWs) bands (ev): -0.9450 -0.9450 2.4301 2.4301 2.9385 2.9385 3.9994 3.9994 4.0170 4.0170 6.7656 6.7656 6.8358 6.8358 7.0581 7.0581 7.2537 7.2537 7.7368 7.7368 7.9330 7.9330 7.9767 7.9767 8.1139 8.1139 8.6557 8.6557 9.2582 9.2582 9.4279 9.4279 10.0513 10.0513 10.5906 10.5906 11.0513 11.0513 11.2167 11.2167 11.5514 11.5514 k =-0.0167 0.0056-0.0000 ( 3211 PWs) bands (ev): -0.9432 -0.9432 2.4276 2.4276 2.9387 2.9387 3.9982 3.9982 4.0172 4.0172 6.7658 6.7658 6.8363 6.8363 7.0586 7.0586 7.2533 7.2533 7.7354 7.7354 7.9331 7.9331 7.9764 7.9764 8.1138 8.1138 8.6564 8.6564 9.2570 9.2570 9.4244 9.4244 10.0523 10.0523 10.5924 10.5924 11.0539 11.0539 11.2238 11.2238 11.5475 11.5475 k =-0.0333 0.0112-0.0000 ( 3207 PWs) bands (ev): -0.9380 -0.9380 2.4203 2.4203 2.9391 2.9391 3.9947 3.9947 4.0179 4.0179 6.7665 6.7665 6.8378 6.8378 7.0601 7.0601 7.2519 7.2519 7.7314 7.7314 7.9334 7.9334 7.9756 7.9756 8.1133 8.1133 8.6586 8.6586 9.2535 9.2535 9.4140 9.4140 10.0554 10.0554 10.5977 10.5977 11.0617 11.0617 11.2448 11.2448 11.5248 11.5248 k =-0.0500 0.0168-0.0000 ( 3211 PWs) bands (ev): -0.9293 -0.9293 2.4080 2.4080 2.9399 2.9399 3.9890 3.9890 4.0190 4.0190 6.7675 6.7675 6.8402 6.8402 7.0627 7.0627 7.2495 7.2495 7.7248 7.7248 7.9335 7.9335 7.9743 7.9743 8.1124 8.1124 8.6621 8.6621 9.2476 9.2476 9.3974 9.3974 10.0605 10.0605 10.6065 10.6065 11.0747 11.0747 11.2791 11.2791 11.4705 11.4705 k =-0.0667 0.0225-0.0000 ( 3211 PWs) bands (ev): -0.9171 -0.9171 2.3905 2.3905 2.9413 2.9413 3.9811 3.9811 4.0205 4.0205 6.7689 6.7689 6.8432 6.8432 7.0666 7.0666 7.2464 7.2464 7.7158 7.7158 7.9330 7.9330 7.9731 7.9731 8.1112 8.1112 8.6669 8.6669 9.2394 9.2394 9.3756 9.3756 10.0677 10.0677 10.6185 10.6185 11.0931 11.0931 11.3254 11.3254 11.3968 11.3968 k =-0.0833 0.0281-0.0000 ( 3209 PWs) bands (ev): -0.9014 -0.9014 2.3679 2.3679 2.9434 2.9434 3.9713 3.9713 4.0225 4.0225 6.7707 6.7707 6.8464 6.8464 7.0720 7.0720 7.2424 7.2424 7.7047 7.7047 7.9313 7.9313 7.9725 7.9725 8.1097 8.1097 8.6730 8.6730 9.2288 9.2288 9.3497 9.3497 10.0769 10.0769 10.6333 10.6333 11.1168 11.1168 11.3122 11.3122 11.3835 11.3835 k =-0.1000 0.0337-0.0000 ( 3205 PWs) bands (ev): -0.8824 -0.8824 2.3400 2.3400 2.9465 2.9465 3.9596 3.9596 4.0248 4.0248 6.7729 6.7729 6.8497 6.8497 7.0790 7.0790 7.2378 7.2378 7.6916 7.6916 7.9275 7.9275 7.9729 7.9729 8.1078 8.1078 8.6802 8.6802 9.2159 9.2159 9.3210 9.3210 10.0882 10.0882 10.6507 10.6507 11.1457 11.1457 11.2237 11.2237 11.4505 11.4505 k =-0.1167 0.0393-0.0000 ( 3201 PWs) bands (ev): -0.8599 -0.8599 2.3068 2.3068 2.9507 2.9507 3.9464 3.9464 4.0275 4.0275 6.7753 6.7753 6.8525 6.8525 7.0877 7.0877 7.2325 7.2325 7.6769 7.6769 7.9214 7.9214 7.9747 7.9747 8.1056 8.1056 8.6884 8.6884 9.2006 9.2006 9.2906 9.2906 10.1015 10.1015 10.6702 10.6702 11.1316 11.1316 11.1817 11.1817 11.5255 11.5255 k =-0.1333 0.0449-0.0000 ( 3203 PWs) bands (ev): -0.8341 -0.8341 2.2682 2.2682 2.9560 2.9560 3.9318 3.9318 4.0306 4.0306 6.7780 6.7780 6.8548 6.8548 7.0982 7.0982 7.2266 7.2266 7.6608 7.6608 7.9128 7.9128 7.9776 7.9776 8.1032 8.1032 8.6976 8.6976 9.1829 9.1829 9.2596 9.2596 10.1168 10.1168 10.6915 10.6915 11.0416 11.0416 11.2215 11.2215 11.5799 11.5799 k =-0.1500 0.0505-0.0000 ( 3202 PWs) bands (ev): -0.8050 -0.8050 2.2245 2.2245 2.9626 2.9626 3.9162 3.9162 4.0340 4.0340 6.7809 6.7809 6.8564 6.8564 7.1103 7.1103 7.2204 7.2204 7.6434 7.6434 7.9020 7.9020 7.9814 7.9814 8.1007 8.1007 8.7076 8.7076 9.1630 9.1630 9.2288 9.2288 10.1339 10.1339 10.7142 10.7142 10.9530 10.9530 11.2673 11.2673 11.5863 11.5863 k =-0.1667 0.0561-0.0000 ( 3202 PWs) bands (ev): -0.7726 -0.7726 2.1759 2.1759 2.9703 2.9703 3.8996 3.8996 4.0378 4.0378 6.7840 6.7840 6.8572 6.8572 7.1238 7.1238 7.2140 7.2140 7.6253 7.6253 7.8891 7.8891 7.9856 7.9856 8.0981 8.0981 8.7182 8.7182 9.1410 9.1410 9.1991 9.1991 10.1527 10.1527 10.7377 10.7377 10.8675 10.8675 11.3186 11.3186 11.5913 11.5913 k =-0.1833 0.0618-0.0000 ( 3200 PWs) bands (ev): -0.7370 -0.7370 2.1225 2.1225 2.9791 2.9791 3.8825 3.8825 4.0417 4.0417 6.7872 6.7872 6.8573 6.8573 7.1382 7.1382 7.2075 7.2075 7.6065 7.6065 7.8745 7.8745 7.9899 7.9899 8.0957 8.0957 8.7295 8.7295 9.1170 9.1170 9.1711 9.1711 10.1732 10.1732 10.7610 10.7610 10.7868 10.7868 11.3752 11.3752 11.5965 11.5965 k =-0.2000 0.0674-0.0000 ( 3198 PWs) bands (ev): -0.6983 -0.6983 2.0646 2.0646 2.9888 2.9888 3.8651 3.8651 4.0459 4.0459 6.7904 6.7904 6.8568 6.8568 7.1527 7.1527 7.2016 7.2016 7.5874 7.5874 7.8582 7.8582 7.9940 7.9940 8.0935 8.0935 8.7411 8.7411 9.0913 9.0913 9.1450 9.1450 10.1950 10.1950 10.7078 10.7078 10.7874 10.7874 11.4369 11.4369 11.6021 11.6021 k =-0.2167 0.0730-0.0000 ( 3198 PWs) bands (ev): -0.6566 -0.6566 2.0027 2.0027 2.9994 2.9994 3.8476 3.8476 4.0503 4.0503 6.7936 6.7936 6.8559 6.8559 7.1655 7.1655 7.1977 7.1977 7.5681 7.5681 7.8406 7.8406 7.9976 7.9976 8.0918 8.0918 8.7530 8.7530 9.0643 9.0643 9.1213 9.1213 10.2178 10.2178 10.6361 10.6361 10.8121 10.8121 11.5034 11.5034 11.6081 11.6081 k =-0.2333 0.0786-0.0000 ( 3206 PWs) bands (ev): -0.6119 -0.6119 1.9371 1.9371 3.0106 3.0106 3.8303 3.8303 4.0549 4.0549 6.7966 6.7966 6.8547 6.8547 7.1717 7.1717 7.2000 7.2000 7.5488 7.5488 7.8219 7.8219 8.0004 8.0004 8.0907 8.0907 8.7651 8.7651 9.0362 9.0362 9.1000 9.1000 10.2409 10.2409 10.5700 10.5700 10.8367 10.8367 11.5728 11.5728 11.6160 11.6160 k =-0.2500 0.0842-0.0000 ( 3198 PWs) bands (ev): -0.5644 -0.5644 1.8682 1.8682 3.0223 3.0223 3.8134 3.8134 4.0595 4.0595 6.7996 6.7996 6.8535 6.8535 7.1697 7.1697 7.2102 7.2102 7.5299 7.5299 7.8024 7.8024 8.0024 8.0024 8.0905 8.0905 8.7773 8.7773 9.0075 9.0075 9.0813 9.0813 10.2633 10.2633 10.5110 10.5110 10.8611 10.8611 11.6145 11.6145 11.6561 11.6561 k =-0.2667 0.0898-0.0000 ( 3200 PWs) bands (ev): -0.5142 -0.5142 1.7964 1.7964 3.0342 3.0342 3.7970 3.7970 4.0642 4.0642 6.8024 6.8024 6.8523 6.8523 7.1644 7.1644 7.2227 7.2227 7.5114 7.5114 7.7823 7.7823 8.0032 8.0032 8.0912 8.0912 8.7892 8.7892 8.9787 8.9787 9.0652 9.0652 10.2824 10.2824 10.4612 10.4612 10.8849 10.8849 11.6228 11.6228 11.7337 11.7337 k =-0.2833 0.0954-0.0000 ( 3200 PWs) bands (ev): -0.4614 -0.4614 1.7221 1.7221 3.0461 3.0461 3.7815 3.7815 4.0689 4.0689 6.8051 6.8051 6.8513 6.8513 7.1583 7.1583 7.2349 7.2349 7.4935 7.4935 7.7621 7.7621 8.0030 8.0030 8.0927 8.0927 8.8009 8.8009 8.9504 8.9504 9.0514 9.0514 10.2922 10.2922 10.4264 10.4264 10.9080 10.9080 11.6291 11.6291 11.8168 11.8168 k =-0.3000 0.1010-0.0000 ( 3210 PWs) bands (ev): -0.4063 -0.4063 1.6458 1.6458 3.0579 3.0579 3.7669 3.7669 4.0735 4.0735 6.8077 6.8077 6.8504 6.8504 7.1520 7.1520 7.2456 7.2456 7.4763 7.4763 7.7419 7.7419 8.0019 8.0019 8.0949 8.0949 8.8117 8.8117 8.9233 8.9233 9.0400 9.0400 10.2838 10.2838 10.4151 10.4151 10.9302 10.9302 11.6351 11.6351 11.9034 11.9034 k =-0.3167 0.1067-0.0000 ( 3224 PWs) bands (ev): -0.3490 -0.3490 1.5680 1.5680 3.0694 3.0694 3.7534 3.7534 4.0780 4.0780 6.8103 6.8103 6.8498 6.8498 7.1459 7.1459 7.2546 7.2546 7.4601 7.4601 7.7221 7.7221 7.9999 7.9999 8.0976 8.0976 8.8210 8.8210 8.8987 8.8987 9.0305 9.0305 10.2591 10.2591 10.4247 10.4247 10.9513 10.9513 11.6409 11.6409 11.9926 11.9926 k =-0.3333 0.1123-0.0000 ( 3226 PWs) bands (ev): -0.2898 -0.2898 1.4892 1.4892 3.0803 3.0803 3.7410 3.7410 4.0824 4.0824 6.8129 6.8129 6.8493 6.8493 7.1401 7.1401 7.2616 7.2616 7.4448 7.4448 7.7031 7.7031 7.9976 7.9976 8.1006 8.1006 8.8265 8.8265 8.8793 8.8793 9.0229 9.0229 10.2289 10.2289 10.4442 10.4442 10.9713 10.9713 11.6464 11.6464 12.0840 12.0840 k =-0.3500 0.1179-0.0000 ( 3222 PWs) bands (ev): -0.2290 -0.2290 1.4100 1.4100 3.0906 3.0906 3.7299 3.7299 4.0865 4.0865 6.8156 6.8156 6.8491 6.8491 7.1347 7.1347 7.2666 7.2666 7.4307 7.4307 7.6851 7.6851 7.9949 7.9949 8.1039 8.1039 8.8229 8.8229 8.8703 8.8703 9.0169 9.0169 10.1990 10.1990 10.4670 10.4670 10.9899 10.9899 11.6516 11.6516 12.1767 12.1767 k =-0.3667 0.1235-0.0000 ( 3226 PWs) bands (ev): -0.1672 -0.1672 1.3311 1.3311 3.1000 3.1000 3.7201 3.7201 4.0904 4.0904 6.8183 6.8183 6.8489 6.8489 7.1297 7.1297 7.2695 7.2695 7.4177 7.4177 7.6683 7.6683 7.9922 7.9922 8.1070 8.1070 8.8100 8.8100 8.8724 8.8724 9.0121 9.0121 10.1713 10.1713 10.4904 10.4904 11.0070 11.0070 11.6564 11.6564 12.2697 12.2697 k =-0.3833 0.1291-0.0000 ( 3226 PWs) bands (ev): -0.1049 -0.1049 1.2532 1.2532 3.1086 3.1086 3.7115 3.7115 4.0939 4.0939 6.8212 6.8212 6.8487 6.8487 7.1253 7.1253 7.2707 7.2707 7.4061 7.4061 7.6530 7.6530 7.9894 7.9894 8.1101 8.1101 8.7945 8.7945 8.8787 8.8787 9.0085 9.0085 10.1467 10.1467 10.5132 10.5132 11.0224 11.0224 11.6608 11.6608 12.3617 12.3617 k =-0.4000 0.1347-0.0000 ( 3228 PWs) bands (ev): -0.0429 -0.0429 1.1773 1.1773 3.1161 3.1161 3.7043 3.7043 4.0971 4.0971 6.8242 6.8242 6.8486 6.8486 7.1214 7.1214 7.2704 7.2704 7.3959 7.3959 7.6394 7.6394 7.9867 7.9867 8.1128 8.1128 8.7798 8.7798 8.8860 8.8860 9.0058 9.0058 10.1254 10.1254 10.5343 10.5343 11.0361 11.0361 11.6648 11.6648 12.4505 12.4505 k =-0.4167 0.1403-0.0000 ( 3230 PWs) bands (ev): 0.0176 0.0176 1.1049 1.1049 3.1225 3.1225 3.6983 3.6983 4.0999 4.0999 6.8272 6.8272 6.8484 6.8484 7.1181 7.1181 7.2690 7.2690 7.3871 7.3871 7.6276 7.6276 7.9843 7.9843 8.1152 8.1152 8.7671 8.7671 8.8930 8.8930 9.0037 9.0037 10.1075 10.1075 10.5532 10.5532 11.0478 11.0478 11.6682 11.6682 12.5316 12.5317 k =-0.4333 0.1460-0.0000 ( 3228 PWs) bands (ev): 0.0748 0.0748 1.0377 1.0377 3.1278 3.1278 3.6934 3.6934 4.1022 4.1022 6.8300 6.8300 6.8482 6.8482 7.1154 7.1154 7.2670 7.2670 7.3799 7.3799 7.6178 7.6178 7.9824 7.9824 8.1173 8.1173 8.7565 8.7565 8.8992 8.8992 9.0022 9.0022 10.0928 10.0928 10.5694 10.5694 11.0576 11.0576 11.6711 11.6711 12.5900 12.5900 k =-0.4500 0.1516-0.0000 ( 3228 PWs) bands (ev): 0.1262 0.1262 0.9784 0.9784 3.1319 3.1319 3.6898 3.6898 4.1040 4.1040 6.8325 6.8325 6.8479 6.8479 7.1132 7.1132 7.2648 7.2648 7.3743 7.3743 7.6100 7.6100 7.9808 7.9808 8.1189 8.1189 8.7484 8.7484 8.9043 8.9043 9.0011 9.0011 10.0815 10.0815 10.5825 10.5825 11.0653 11.0653 11.6734 11.6734 12.6092 12.6092 k =-0.4667 0.1572-0.0000 ( 3222 PWs) bands (ev): 0.1682 0.1682 0.9307 0.9307 3.1349 3.1349 3.6872 3.6872 4.1054 4.1054 6.8346 6.8346 6.8477 6.8477 7.1117 7.1117 7.2628 7.2628 7.3702 7.3702 7.6045 7.6045 7.9796 7.9796 8.1202 8.1202 8.7426 8.7426 8.9081 8.9081 9.0003 9.0003 10.0734 10.0734 10.5921 10.5921 11.0709 11.0709 11.6751 11.6751 12.6134 12.6135 k =-0.4833 0.1628-0.0000 ( 3222 PWs) bands (ev): 0.1963 0.1963 0.8991 0.8991 3.1367 3.1367 3.6857 3.6857 4.1062 4.1062 6.8360 6.8360 6.8474 6.8474 7.1108 7.1108 7.2615 7.2615 7.3678 7.3678 7.6011 7.6011 7.9789 7.9789 8.1209 8.1209 8.7391 8.7391 8.9104 8.9104 8.9999 8.9999 10.0686 10.0686 10.5980 10.5980 11.0742 11.0742 11.6761 11.6761 12.6146 12.6146 k =-0.5000 0.1684-0.0000 ( 3230 PWs) bands (ev): 0.2063 0.2063 0.8880 0.8880 3.1373 3.1373 3.6851 3.6851 4.1065 4.1065 6.8364 6.8364 6.8473 6.8473 7.1105 7.1105 7.2610 7.2610 7.3670 7.3670 7.6000 7.6000 7.9786 7.9786 8.1211 8.1211 8.7379 8.7379 8.9112 8.9112 8.9996 8.9996 10.0670 10.0670 10.5999 10.5999 11.0753 11.0753 11.6764 11.6764 12.6149 12.6149 k =-0.5000 0.1684-0.0000 ( 3230 PWs) bands (ev): 0.2063 0.2063 0.8880 0.8880 3.1373 3.1373 3.6851 3.6851 4.1065 4.1065 6.8364 6.8364 6.8473 6.8473 7.1105 7.1105 7.2610 7.2610 7.3670 7.3670 7.6000 7.6000 7.9786 7.9786 8.1211 8.1211 8.7379 8.7379 8.9112 8.9112 8.9996 8.9996 10.0670 10.0670 10.5999 10.5999 11.0753 11.0753 11.6764 11.6764 12.6149 12.6149 k =-0.4945 0.1849-0.0000 ( 3224 PWs) bands (ev): 0.2078 0.2078 0.8895 0.8895 3.1375 3.1375 3.6863 3.6863 4.1062 4.1062 6.8325 6.8325 6.8477 6.8477 7.1124 7.1124 7.2597 7.2597 7.3666 7.3666 7.5976 7.5976 7.9786 7.9786 8.1214 8.1214 8.7393 8.7393 8.9111 8.9111 8.9998 8.9998 10.0658 10.0658 10.6014 10.6014 11.0715 11.0715 11.6767 11.6767 12.6111 12.6111 k =-0.4889 0.2013-0.0000 ( 3228 PWs) bands (ev): 0.2123 0.2123 0.8940 0.8940 3.1381 3.1381 3.6897 3.6897 4.1055 4.1055 6.8213 6.8213 6.8485 6.8485 7.1176 7.1176 7.2559 7.2559 7.3653 7.3653 7.5904 7.5904 7.9784 7.9784 8.1224 8.1224 8.7432 8.7432 8.9108 8.9108 9.0005 9.0005 10.0620 10.0620 10.6058 10.6058 11.0602 11.0602 11.6773 11.6773 12.5999 12.5999 k =-0.4834 0.2178-0.0000 ( 3224 PWs) bands (ev): 0.2197 0.2197 0.9015 0.9015 3.1390 3.1390 3.6954 3.6954 4.1044 4.1044 6.8039 6.8039 6.8494 6.8494 7.1253 7.1253 7.2495 7.2495 7.3633 7.3633 7.5788 7.5788 7.9782 7.9782 8.1240 8.1240 8.7495 8.7495 8.9106 8.9106 9.0015 9.0015 10.0558 10.0558 10.6130 10.6130 11.0415 11.0415 11.6785 11.6785 12.5818 12.5818 k =-0.4778 0.2342-0.0000 ( 3224 PWs) bands (ev): 0.2302 0.2302 0.9120 0.9120 3.1402 3.1402 3.7034 3.7034 4.1028 4.1028 6.7809 6.7809 6.8506 6.8506 7.1342 7.1342 7.2408 7.2408 7.3605 7.3605 7.5633 7.5633 7.9779 7.9779 8.1263 8.1263 8.7575 8.7575 8.9110 8.9110 9.0031 9.0031 10.0470 10.0470 10.6233 10.6233 11.0157 11.0157 11.6802 11.6802 12.5578 12.5578 k =-0.4723 0.2507-0.0000 ( 3216 PWs) bands (ev): 0.2435 0.2435 0.9254 0.9254 3.1418 3.1418 3.7135 3.7135 4.1008 4.1008 6.7531 6.7531 6.8520 6.8520 7.1428 7.1428 7.2302 7.2302 7.3573 7.3573 7.5447 7.5447 7.9775 7.9775 8.1292 8.1292 8.7665 8.7665 8.9128 8.9128 9.0052 9.0052 10.0358 10.0358 10.6364 10.6364 10.9833 10.9833 11.6825 11.6825 12.5287 12.5287 k =-0.4668 0.2671-0.0000 ( 3208 PWs) bands (ev): 0.2598 0.2598 0.9418 0.9418 3.1435 3.1435 3.7259 3.7259 4.0985 4.0985 6.7208 6.7208 6.8537 6.8537 7.1490 7.1490 7.2189 7.2189 7.3535 7.3535 7.5240 7.5240 7.9768 7.9768 8.1326 8.1326 8.7754 8.7754 8.9171 8.9171 9.0077 9.0077 10.0219 10.0219 10.6524 10.6524 10.9447 10.9447 11.6856 11.6856 12.4957 12.4957 k =-0.4612 0.2836-0.0000 ( 3210 PWs) bands (ev): 0.2789 0.2789 0.9610 0.9610 3.1453 3.1453 3.7404 3.7404 4.0957 4.0957 6.6844 6.6844 6.8557 6.8557 7.1496 7.1496 7.2090 7.2090 7.3493 7.3493 7.5024 7.5024 7.9760 7.9760 8.1366 8.1366 8.7825 8.7825 8.9253 8.9253 9.0107 9.0107 10.0055 10.0055 10.6712 10.6712 10.9004 10.9004 11.6893 11.6893 12.4597 12.4597 k =-0.4557 0.3000-0.0000 ( 3210 PWs) bands (ev): 0.3010 0.3010 0.9832 0.9832 3.1472 3.1472 3.7571 3.7571 4.0927 4.0927 6.6441 6.6441 6.8581 6.8581 7.1413 7.1413 7.2033 7.2033 7.3447 7.3447 7.4814 7.4814 7.9749 7.9749 8.1410 8.1410 8.7868 8.7868 8.9384 8.9384 9.0142 9.0142 9.9864 9.9864 10.6927 10.6927 10.8512 10.8512 11.6937 11.6937 12.4216 12.4216 k =-0.4501 0.3165-0.0000 ( 3210 PWs) bands (ev): 0.3258 0.3258 1.0082 1.0082 3.1489 3.1489 3.7758 3.7758 4.0894 4.0894 6.6001 6.6001 6.8607 6.8607 7.1242 7.1242 7.2004 7.2004 7.3397 7.3397 7.4626 7.4626 7.9737 7.9737 8.1458 8.1458 8.7877 8.7877 8.9567 8.9567 9.0185 9.0185 9.9647 9.9647 10.7154 10.7154 10.7988 10.7988 11.6987 11.6987 12.3823 12.3823 k =-0.4446 0.3329-0.0000 ( 3210 PWs) bands (ev): 0.3535 0.3535 1.0359 1.0359 3.1504 3.1504 3.7965 3.7965 4.0858 4.0858 6.5523 6.5523 6.8635 6.8635 7.1011 7.1011 7.1966 7.1966 7.3342 7.3342 7.4477 7.4477 7.9721 7.9721 8.1511 8.1511 8.7855 8.7855 8.9799 8.9799 9.0237 9.0237 9.9403 9.9403 10.7203 10.7203 10.7627 10.7627 11.7044 11.7044 12.3424 12.3424 k =-0.4391 0.3494-0.0000 ( 3214 PWs) bands (ev): 0.3839 0.3839 1.0664 1.0664 3.1516 3.1516 3.8192 3.8192 4.0821 4.0821 6.5010 6.5010 6.8666 6.8666 7.0740 7.0740 7.1895 7.1895 7.3285 7.3285 7.4378 7.4378 7.9702 7.9702 8.1566 8.1566 8.7807 8.7807 9.0057 9.0057 9.0312 9.0312 9.9131 9.9131 10.6673 10.6673 10.7836 10.7836 11.7105 11.7105 12.3026 12.3026 k =-0.4335 0.3658-0.0000 ( 3222 PWs) bands (ev): 0.4171 0.4171 1.0996 1.0996 3.1523 3.1523 3.8437 3.8437 4.0783 4.0783 6.4462 6.4462 6.8698 6.8698 7.0438 7.0438 7.1779 7.1779 7.3230 7.3230 7.4332 7.4332 7.9679 7.9679 8.1624 8.1624 8.7741 8.7741 9.0260 9.0260 9.0483 9.0483 9.8832 9.8832 10.6020 10.6020 10.8163 10.8163 11.7170 11.7170 12.2632 12.2632 k =-0.4280 0.3823-0.0000 ( 3218 PWs) bands (ev): 0.4529 0.4529 1.1353 1.1353 3.1523 3.1523 3.8700 3.8700 4.0744 4.0744 6.3883 6.3883 6.8731 6.8731 7.0114 7.0114 7.1622 7.1622 7.3179 7.3179 7.4335 7.4335 7.9653 7.9653 8.1685 8.1685 8.7661 8.7661 9.0359 9.0359 9.0790 9.0790 9.8506 9.8506 10.5328 10.5328 10.8532 10.8532 11.7237 11.7237 12.2247 12.2247 k =-0.4224 0.3987-0.0000 ( 3210 PWs) bands (ev): 0.4913 0.4913 1.1736 1.1736 3.1515 3.1515 3.8980 3.8980 4.0705 4.0705 6.3272 6.3272 6.8762 6.8762 6.9774 6.9774 7.1434 7.1434 7.3134 7.3134 7.4377 7.4377 7.9623 7.9623 8.1746 8.1746 8.7573 8.7573 9.0439 9.0439 9.1141 9.1141 9.8152 9.8152 10.4610 10.4610 10.8934 10.8934 11.7304 11.7304 12.1875 12.1875 k =-0.4169 0.4152-0.0000 ( 3210 PWs) bands (ev): 0.5322 0.5322 1.2144 1.2144 3.1498 3.1498 3.9275 3.9275 4.0667 4.0667 6.2635 6.2635 6.8776 6.8776 6.9433 6.9433 7.1226 7.1226 7.3093 7.3093 7.4447 7.4447 7.9589 7.9589 8.1809 8.1809 8.7478 8.7478 9.0520 9.0520 9.1507 9.1507 9.7770 9.7770 10.3877 10.3877 10.9369 10.9369 11.7368 11.7368 12.1517 12.1517 k =-0.4113 0.4316-0.0000 ( 3220 PWs) bands (ev): 0.5756 0.5756 1.2574 1.2574 3.1469 3.1469 3.9585 3.9585 4.0630 4.0630 6.1974 6.1974 6.8718 6.8718 6.9150 6.9150 7.1008 7.1008 7.3058 7.3058 7.4537 7.4537 7.9551 7.9551 8.1870 8.1870 8.7379 8.7379 9.0607 9.0607 9.1871 9.1871 9.7361 9.7361 10.3142 10.3142 10.9834 10.9834 11.7427 11.7427 12.1176 12.1176 k =-0.4058 0.4481-0.0000 ( 3220 PWs) bands (ev): 0.6215 0.6215 1.3027 1.3027 3.1428 3.1428 3.9909 3.9909 4.0596 4.0596 6.1292 6.1292 6.8465 6.8465 6.9049 6.9049 7.0790 7.0790 7.3026 7.3026 7.4641 7.4641 7.9508 7.9508 8.1931 8.1931 8.7278 8.7278 9.0700 9.0700 9.2220 9.2220 9.6925 9.6925 10.2421 10.2421 11.0331 11.0331 11.7480 11.7480 12.0855 12.0855 k =-0.4003 0.4645-0.0000 ( 3220 PWs) bands (ev): 0.6696 0.6696 1.3501 1.3501 3.1372 3.1372 4.0245 4.0245 4.0565 4.0565 6.0594 6.0594 6.8092 6.8092 6.9060 6.9060 7.0575 7.0575 7.2998 7.2998 7.4755 7.4755 7.9462 7.9462 8.1991 8.1991 8.7177 8.7177 9.0800 9.0800 9.2534 9.2534 9.6462 9.6462 10.1736 10.1736 11.0859 11.0859 11.7522 11.7522 12.0553 12.0553 k =-0.3947 0.4810-0.0000 ( 3210 PWs) bands (ev): 0.7201 0.7201 1.3995 1.3995 3.1301 3.1301 4.0533 4.0533 4.0596 4.0596 5.9883 5.9883 6.7681 6.7681 6.9099 6.9099 7.0367 7.0367 7.2974 7.2974 7.4874 7.4874 7.9411 7.9411 8.2050 8.2050 8.7075 8.7075 9.0907 9.0907 9.2787 9.2787 9.5973 9.5973 10.1116 10.1116 11.1416 11.1416 11.7552 11.7552 12.0273 12.0273 k =-0.3892 0.4974-0.0000 ( 3210 PWs) bands (ev): 0.7728 0.7728 1.4507 1.4507 3.1213 3.1213 4.0512 4.0512 4.0949 4.0949 5.9162 5.9162 6.7254 6.7254 6.9146 6.9146 7.0171 7.0171 7.2954 7.2954 7.4996 7.4996 7.9356 7.9356 8.2105 8.2105 8.6973 8.6973 9.1023 9.1023 9.2944 9.2944 9.5461 9.5461 10.0599 10.0599 11.2004 11.2004 11.7565 11.7565 12.0012 12.0012 k =-0.3836 0.5139-0.0000 ( 3206 PWs) bands (ev): 0.8276 0.8276 1.5035 1.5035 3.1107 3.1107 4.0494 4.0494 4.1312 4.1312 5.8435 5.8435 6.6817 6.6817 6.9196 6.9196 6.9987 6.9987 7.2938 7.2938 7.5121 7.5121 7.9297 7.9297 8.2157 8.2157 8.6871 8.6871 9.1146 9.1146 9.2968 9.2968 9.4927 9.4927 10.0224 10.0224 11.2620 11.2620 11.7560 11.7560 11.9769 11.9769 k =-0.3781 0.5303-0.0000 ( 3206 PWs) bands (ev): 0.8845 0.8845 1.5576 1.5576 3.0983 3.0983 4.0482 4.0482 4.1681 4.1681 5.7706 5.7706 6.6374 6.6374 6.9243 6.9243 6.9821 6.9821 7.2925 7.2925 7.5245 7.5245 7.9233 7.9233 8.2205 8.2205 8.6768 8.6768 9.1276 9.1276 9.2829 9.2829 9.4375 9.4375 10.0025 10.0025 11.3265 11.3265 11.7532 11.7532 11.9533 11.9533 k =-0.3726 0.5468-0.0000 ( 3208 PWs) bands (ev): 0.9433 0.9433 1.6129 1.6129 3.0842 3.0842 4.0477 4.0477 4.2054 4.2054 5.6977 5.6977 6.5927 6.5927 6.9274 6.9274 6.9685 6.9685 7.2916 7.2916 7.5368 7.5368 7.9165 7.9165 8.2250 8.2250 8.6663 8.6663 9.1414 9.1414 9.2519 9.2519 9.3811 9.3811 10.0013 10.0013 11.3937 11.3937 11.7478 11.7478 11.9263 11.9263 k =-0.3670 0.5632-0.0000 ( 3212 PWs) bands (ev): 1.0040 1.0040 1.6689 1.6689 3.0682 3.0682 4.0479 4.0479 4.2428 4.2428 5.6250 5.6250 6.5478 6.5478 6.9262 6.9262 6.9605 6.9605 7.2911 7.2911 7.5490 7.5490 7.9094 7.9094 8.2290 8.2290 8.6555 8.6555 9.1556 9.1556 9.2062 9.2062 9.3235 9.3235 10.0171 10.0171 11.4635 11.4635 11.7396 11.7396 11.8890 11.8890 k =-0.3615 0.5797-0.0000 ( 3208 PWs) bands (ev): 1.0665 1.0665 1.7254 1.7254 3.0506 3.0506 4.0490 4.0490 4.2801 4.2801 5.5528 5.5528 6.5030 6.5030 6.9191 6.9191 6.9598 6.9598 7.2908 7.2908 7.5610 7.5610 7.9019 7.9019 8.2325 8.2325 8.6441 8.6441 9.1487 9.1487 9.1715 9.1715 9.2650 9.2650 10.0467 10.0467 11.5355 11.5355 11.7283 11.7283 11.8445 11.8445 k =-0.3559 0.5961-0.0000 ( 3208 PWs) bands (ev): 1.1306 1.1306 1.7818 1.7818 3.0316 3.0316 4.0511 4.0511 4.3172 4.3172 5.4814 5.4814 6.4584 6.4584 6.9087 6.9087 6.9637 6.9637 7.2909 7.2909 7.5728 7.5728 7.8940 7.8940 8.2355 8.2355 8.6317 8.6317 9.0866 9.0866 9.1847 9.1847 9.2073 9.2073 10.0866 10.0866 11.6091 11.6091 11.7138 11.7138 11.7985 11.7985 k =-0.3504 0.6126-0.0000 ( 3198 PWs) bands (ev): 1.1964 1.1964 1.8375 1.8375 3.0116 3.0116 4.0541 4.0541 4.3536 4.3536 5.4109 5.4109 6.4140 6.4140 6.8977 6.8977 6.9693 6.9693 7.2912 7.2912 7.5842 7.5842 7.8858 7.8858 8.2380 8.2380 8.6178 8.6178 9.0217 9.0217 9.1427 9.1427 9.2049 9.2049 10.1340 10.1340 11.6757 11.6757 11.7022 11.7022 11.7550 11.7550 k =-0.3449 0.6290-0.0000 ( 3194 PWs) bands (ev): 1.2637 1.2637 1.8918 1.8918 2.9911 2.9911 4.0582 4.0582 4.3892 4.3892 5.3415 5.3415 6.3701 6.3701 6.8871 6.8871 6.9757 6.9757 7.2916 7.2916 7.5954 7.5954 7.8774 7.8774 8.2399 8.2399 8.6015 8.6015 8.9579 8.9579 9.0819 9.0819 9.2214 9.2214 10.1866 10.1866 11.6672 11.6672 11.7016 11.7016 11.7735 11.7735 k =-0.3393 0.6455-0.0000 ( 3188 PWs) bands (ev): 1.3324 1.3324 1.9436 1.9436 2.9709 2.9709 4.0634 4.0634 4.4237 4.4237 5.2734 5.2734 6.3267 6.3267 6.8773 6.8773 6.9824 6.9824 7.2922 7.2922 7.6061 7.6061 7.8687 7.8687 8.2411 8.2411 8.5818 8.5818 8.8980 8.8980 9.0207 9.0207 9.2387 9.2387 10.2429 10.2429 11.6379 11.6379 11.6618 11.6618 11.8479 11.8479 k =-0.3338 0.6619-0.0000 ( 3180 PWs) bands (ev): 1.4024 1.4024 1.9917 1.9917 2.9521 2.9521 4.0699 4.0699 4.4566 4.4566 5.2067 5.2067 6.2840 6.2840 6.8684 6.8684 6.9892 6.9892 7.2929 7.2929 7.6165 7.6165 7.8599 7.8599 8.2416 8.2416 8.5575 8.5575 8.8446 8.8446 8.9600 8.9600 9.2566 9.2566 10.3016 10.3016 11.6005 11.6005 11.6243 11.6243 11.8900 11.8900 k =-0.3282 0.6784-0.0000 ( 3180 PWs) bands (ev): 1.4736 1.4736 2.0346 2.0346 2.9360 2.9360 4.0777 4.0777 4.4878 4.4878 5.1414 5.1414 6.2420 6.2420 6.8604 6.8604 6.9960 6.9960 7.2936 7.2936 7.6264 7.6264 7.8508 7.8508 8.2411 8.2411 8.5277 8.5277 8.7994 8.7994 8.9005 8.9005 9.2749 9.2749 10.3619 10.3619 11.5589 11.5589 11.5874 11.5874 11.8972 11.8972 k =-0.3227 0.6948-0.0000 ( 3188 PWs) bands (ev): 1.5459 1.5459 2.0703 2.0703 2.9243 2.9243 4.0869 4.0869 4.5169 4.5169 5.0777 5.0777 6.2008 6.2008 6.8535 6.8535 7.0027 7.0027 7.2942 7.2942 7.6359 7.6359 7.8417 7.8417 8.2393 8.2393 8.4930 8.4930 8.7626 8.7626 8.8432 8.8432 9.2934 9.2934 10.4230 10.4230 11.5164 11.5164 11.5483 11.5483 11.9041 11.9041 k =-0.3172 0.7113-0.0000 ( 3196 PWs) bands (ev): 1.6192 1.6192 2.0970 2.0970 2.9188 2.9188 4.0975 4.0975 4.5435 4.5435 5.0158 5.0158 6.1605 6.1605 6.8476 6.8476 7.0091 7.0091 7.2947 7.2947 7.6450 7.6450 7.8326 7.8326 8.2360 8.2360 8.4552 8.4552 8.7317 8.7317 8.7903 8.7903 9.3122 9.3122 10.4845 10.4845 11.4742 11.4742 11.5060 11.5060 11.9130 11.9130 k =-0.3116 0.7277-0.0000 ( 3192 PWs) bands (ev): 1.6933 1.6933 2.1126 2.1126 2.9214 2.9214 4.1096 4.1096 4.5673 4.5673 4.9556 4.9556 6.1213 6.1213 6.8428 6.8428 7.0153 7.0153 7.2950 7.2950 7.6535 7.6535 7.8236 7.8236 8.2307 8.2307 8.4172 8.4172 8.6996 8.6996 8.7474 8.7474 9.3313 9.3313 10.5459 10.5459 11.4325 11.4325 11.4607 11.4607 11.9243 11.9243 k =-0.3061 0.7442-0.0000 ( 3190 PWs) bands (ev): 1.7681 1.7681 2.1158 2.1158 2.9331 2.9331 4.1233 4.1233 4.5879 4.5879 4.8973 4.8973 6.0833 6.0833 6.8391 6.8391 7.0211 7.0211 7.2950 7.2950 7.6616 7.6616 7.8148 7.8148 8.2223 8.2223 8.3821 8.3821 8.6589 8.6589 8.7208 8.7208 9.3504 9.3504 10.6068 10.6068 11.3905 11.3905 11.4134 11.4134 11.9379 11.9379 k =-0.3005 0.7606-0.0000 ( 3194 PWs) bands (ev): 1.8434 1.8434 2.1064 2.1064 2.9543 2.9543 4.1386 4.1386 4.6051 4.6051 4.8409 4.8409 6.0467 6.0467 6.8365 6.8365 7.0264 7.0264 7.2948 7.2948 7.6690 7.6690 7.8062 7.8062 8.2100 8.2100 8.3526 8.3526 8.6139 8.6139 8.7051 8.7051 9.3696 9.3696 10.6669 10.6669 11.3454 11.3454 11.3673 11.3673 11.9539 11.9539 k =-0.2950 0.7771-0.0000 ( 3194 PWs) bands (ev): 1.9188 1.9188 2.0850 2.0850 2.9842 2.9842 4.1556 4.1556 4.6185 4.6185 4.7864 4.7864 6.0115 6.0115 6.8349 6.8349 7.0312 7.0312 7.2942 7.2942 7.6758 7.6758 7.7980 7.7980 8.1936 8.1936 8.3302 8.3302 8.5700 8.5700 8.6946 8.6946 9.3888 9.3888 10.7259 10.7259 11.2939 11.2939 11.3262 11.3262 11.9720 11.9720 k =-0.2894 0.7935-0.0000 ( 3190 PWs) bands (ev): 1.9922 1.9922 2.0551 2.0551 3.0213 3.0213 4.1743 4.1743 4.6278 4.6278 4.7339 4.7339 5.9782 5.9782 6.8344 6.8344 7.0353 7.0353 7.2933 7.2933 7.6820 7.6820 7.7904 7.7904 8.1741 8.1741 8.3147 8.3147 8.5291 8.5291 8.6868 8.6868 9.4080 9.4080 10.7835 10.7835 11.2371 11.2371 11.2892 11.2892 11.9923 11.9923 k =-0.2839 0.8100-0.0000 ( 3198 PWs) bands (ev): 2.0038 2.0038 2.0775 2.0775 3.0640 3.0640 4.1948 4.1948 4.6328 4.6328 4.6835 4.6835 5.9468 5.9468 6.8349 6.8349 7.0387 7.0387 7.2919 7.2919 7.6875 7.6875 7.7834 7.7834 8.1537 8.1537 8.3044 8.3044 8.4920 8.4920 8.6808 8.6808 9.4271 9.4271 10.8394 10.8394 11.1772 11.1772 11.2548 11.2548 12.0146 12.0146 k =-0.2784 0.8264-0.0000 ( 3206 PWs) bands (ev): 1.9559 1.9559 2.1517 2.1517 3.1104 3.1104 4.2171 4.2171 4.6312 4.6312 4.6373 4.6373 5.9176 5.9176 6.8365 6.8365 7.0413 7.0413 7.2903 7.2903 7.6921 7.6921 7.7772 7.7772 8.1344 8.1344 8.2976 8.2976 8.4593 8.4593 8.6763 8.6763 9.4462 9.4462 10.8932 10.8932 11.1152 11.1152 11.2225 11.2225 12.0388 12.0388 k =-0.2784 0.8264-0.0000 ( 3206 PWs) bands (ev): 1.9559 1.9559 2.1517 2.1517 3.1104 3.1104 4.2171 4.2171 4.6312 4.6312 4.6373 4.6373 5.9176 5.9176 6.8365 6.8365 7.0413 7.0413 7.2903 7.2903 7.6921 7.6921 7.7772 7.7772 8.1344 8.1344 8.2976 8.2976 8.4593 8.4593 8.6763 8.6763 9.4462 9.4462 10.8932 10.8932 11.1152 11.1152 11.2225 11.2225 12.0388 12.0388 k =-0.2784 0.8264 0.0174 ( 3206 PWs) bands (ev): 1.9570 1.9570 2.1524 2.1524 3.1107 3.1107 4.2153 4.2153 4.6287 4.6287 4.6378 4.6378 5.9202 5.9202 6.8366 6.8366 7.0417 7.0417 7.2909 7.2909 7.6906 7.6906 7.7796 7.7796 8.1342 8.1342 8.2973 8.2973 8.4591 8.4591 8.6750 8.6750 9.4454 9.4454 10.8948 10.8948 11.1035 11.1035 11.2345 11.2345 12.0402 12.0402 k =-0.2784 0.8264 0.0348 ( 3201 PWs) bands (ev): 1.9604 1.9604 2.1543 2.1543 3.1117 3.1117 4.2098 4.2098 4.6228 4.6228 4.6377 4.6377 5.9278 5.9278 6.8368 6.8368 7.0428 7.0428 7.2926 7.2926 7.6866 7.6866 7.7862 7.7862 8.1336 8.1336 8.2965 8.2965 8.4583 8.4583 8.6713 8.6713 9.4432 9.4432 10.8993 10.8993 11.0772 11.0772 11.2617 11.2617 12.0443 12.0443 k =-0.2784 0.8264 0.0521 ( 3201 PWs) bands (ev): 1.9661 1.9661 2.1575 2.1575 3.1134 3.1134 4.2008 4.2008 4.6146 4.6146 4.6360 4.6360 5.9404 5.9404 6.8371 6.8371 7.0446 7.0446 7.2953 7.2953 7.6813 7.6813 7.7959 7.7959 8.1325 8.1325 8.2951 8.2951 8.4569 8.4569 8.6652 8.6652 9.4394 9.4394 10.9068 10.9068 11.0452 11.0452 11.2950 11.2950 12.0512 12.0512 k =-0.2784 0.8264 0.0695 ( 3201 PWs) bands (ev): 1.9739 1.9739 2.1620 2.1620 3.1156 3.1156 4.1885 4.1885 4.6043 4.6043 4.6324 4.6324 5.9579 5.9579 6.8376 6.8376 7.0472 7.0472 7.2992 7.2992 7.6757 7.6757 7.8077 7.8077 8.1310 8.1310 8.2933 8.2933 8.4551 8.4551 8.6569 8.6569 9.4341 9.4341 10.9168 10.9168 11.0110 11.0110 11.3311 11.3311 12.0607 12.0607 k =-0.2784 0.8264 0.0869 ( 3203 PWs) bands (ev): 1.9840 1.9840 2.1677 2.1677 3.1186 3.1186 4.1731 4.1731 4.5919 4.5919 4.6270 4.6270 5.9799 5.9799 6.8383 6.8383 7.0505 7.0505 7.3041 7.3041 7.6704 7.6704 7.8206 7.8206 8.1290 8.1290 8.2910 8.2910 8.4527 8.4527 8.6463 8.6463 9.4274 9.4274 10.9283 10.9283 10.9764 10.9764 11.3686 11.3686 12.0729 12.0729 k =-0.2784 0.8264 0.1043 ( 3197 PWs) bands (ev): 1.9963 1.9963 2.1746 2.1746 3.1222 3.1222 4.1548 4.1548 4.5775 4.5775 4.6198 4.6198 6.0062 6.0062 6.8394 6.8394 7.0545 7.0545 7.3101 7.3101 7.6660 7.6660 7.8343 7.8343 8.1265 8.1265 8.2883 8.2883 8.4498 8.4498 8.6337 8.6337 9.4192 9.4192 10.9269 10.9269 10.9560 10.9560 11.4070 11.4070 12.0877 12.0877 k =-0.2784 0.8264 0.1216 ( 3191 PWs) bands (ev): 2.0106 2.0106 2.1827 2.1827 3.1265 3.1265 4.1340 4.1340 4.5612 4.5612 4.6108 4.6108 6.0366 6.0366 6.8408 6.8408 7.0594 7.0594 7.3170 7.3170 7.6627 7.6627 7.8482 7.8482 8.1235 8.1235 8.2853 8.2853 8.4464 8.4464 8.6193 8.6193 9.4097 9.4097 10.8930 10.8930 10.9691 10.9691 11.4460 11.4460 12.1050 12.1050 k =-0.2784 0.8264 0.1390 ( 3195 PWs) bands (ev): 2.0270 2.0270 2.1920 2.1920 3.1315 3.1315 4.1110 4.1110 4.5429 4.5429 4.6001 4.6001 6.0708 6.0708 6.8426 6.8426 7.0650 7.0650 7.3248 7.3248 7.6607 7.6607 7.8621 7.8621 8.1200 8.1200 8.2820 8.2820 8.4425 8.4425 8.6033 8.6033 9.3986 9.3986 10.8527 10.8527 10.9890 10.9890 11.4851 11.4851 12.1247 12.1247 k =-0.2784 0.8264 0.1564 ( 3188 PWs) bands (ev): 2.0454 2.0454 2.2024 2.2024 3.1371 3.1371 4.0862 4.0862 4.5228 4.5228 4.5876 4.5876 6.1084 6.1084 6.8450 6.8450 7.0715 7.0715 7.3334 7.3334 7.6601 7.6601 7.8757 7.8757 8.1159 8.1159 8.2786 8.2786 8.4380 8.4380 8.5858 8.5858 9.3863 9.3863 10.8098 10.8098 11.0117 11.0117 11.5243 11.5243 12.1467 12.1467 k =-0.2784 0.8264 0.1738 ( 3187 PWs) bands (ev): 2.0658 2.0658 2.2138 2.2138 3.1435 3.1435 4.0597 4.0597 4.5008 4.5008 4.5734 4.5734 6.1492 6.1492 6.8481 6.8481 7.0788 7.0788 7.3428 7.3428 7.6610 7.6610 7.8886 7.8886 8.1113 8.1113 8.2751 8.2751 8.4331 8.4331 8.5671 8.5671 9.3727 9.3727 10.7643 10.7643 11.0366 11.0366 11.5630 11.5630 12.1708 12.1708 k =-0.2784 0.8264 0.1911 ( 3183 PWs) bands (ev): 2.0880 2.0880 2.2263 2.2263 3.1506 3.1506 4.0320 4.0320 4.4772 4.4772 4.5576 4.5576 6.1929 6.1929 6.8519 6.8519 7.0869 7.0869 7.3528 7.3528 7.6633 7.6633 7.9006 7.9006 8.1061 8.1061 8.2717 8.2717 8.4275 8.4275 8.5475 8.5475 9.3580 9.3580 10.7162 10.7162 11.0632 11.0632 11.6010 11.6010 12.1967 12.1967 k =-0.2784 0.8264 0.2085 ( 3179 PWs) bands (ev): 2.1119 2.1119 2.2397 2.2397 3.1585 3.1585 4.0033 4.0033 4.4520 4.4520 4.5401 4.5401 6.2393 6.2393 6.8566 6.8566 7.0958 7.0958 7.3635 7.3635 7.6671 7.6671 7.9114 7.9114 8.1006 8.1006 8.2684 8.2684 8.4214 8.4214 8.5272 8.5272 9.3421 9.3421 10.6653 10.6653 11.0915 11.0915 11.6380 11.6380 12.2242 12.2242 k =-0.2784 0.8264 0.2259 ( 3183 PWs) bands (ev): 2.1374 2.1374 2.2540 2.2540 3.1671 3.1671 3.9739 3.9739 4.4252 4.4252 4.5210 4.5210 6.2881 6.2881 6.8622 6.8622 7.1055 7.1055 7.3745 7.3745 7.6723 7.6723 7.9208 7.9208 8.0947 8.0947 8.2653 8.2653 8.4146 8.4146 8.5066 8.5066 9.3252 9.3252 10.6114 10.6114 11.1213 11.1213 11.6735 11.6735 12.2531 12.2531 k =-0.2784 0.8264 0.2433 ( 3183 PWs) bands (ev): 2.1644 2.1644 2.2692 2.2692 3.1764 3.1764 3.9441 3.9441 4.3971 4.3971 4.5004 4.5004 6.3390 6.3390 6.8688 6.8688 7.1161 7.1161 7.3859 7.3859 7.6788 7.6788 7.9283 7.9283 8.0888 8.0888 8.2624 8.2624 8.4070 8.4070 8.4861 8.4861 9.3074 9.3074 10.5546 10.5546 11.1524 11.1524 11.7072 11.7072 12.2828 12.2828 k =-0.2784 0.8264 0.2607 ( 3182 PWs) bands (ev): 2.1928 2.1928 2.2852 2.2852 3.1866 3.1866 3.9142 3.9142 4.3676 4.3676 4.4782 4.4782 6.3920 6.3920 6.8766 6.8766 7.1276 7.1276 7.3974 7.3974 7.6867 7.6867 7.9335 7.9335 8.0830 8.0830 8.2598 8.2598 8.3983 8.3983 8.4662 8.4662 9.2889 9.2889 10.4947 10.4947 11.1846 11.1846 11.7386 11.7386 12.3131 12.3131 k =-0.2784 0.8264 0.2780 ( 3192 PWs) bands (ev): 2.2224 2.2224 2.3019 2.3019 3.1975 3.1975 3.8843 3.8843 4.3370 4.3370 4.4545 4.4545 6.4467 6.4467 6.8855 6.8855 7.1398 7.1398 7.4090 7.4090 7.6957 7.6957 7.9360 7.9360 8.0776 8.0776 8.2574 8.2574 8.3880 8.3880 8.4475 8.4475 9.2696 9.2696 10.4319 10.4319 11.2180 11.2180 11.7674 11.7674 12.3433 12.3433 k =-0.2784 0.8264 0.2954 ( 3192 PWs) bands (ev): 2.2529 2.2529 2.3193 2.3193 3.2093 3.2093 3.8548 3.8548 4.3054 4.3054 4.4294 4.4294 6.5030 6.5030 6.8957 6.8957 7.1530 7.1530 7.4205 7.4205 7.7059 7.7059 7.9355 7.9355 8.0730 8.0730 8.2552 8.2552 8.3759 8.3759 8.4308 8.4308 9.2499 9.2499 10.3663 10.3663 11.2523 11.2523 11.7932 11.7932 12.3728 12.3728 k =-0.2784 0.8264 0.3128 ( 3190 PWs) bands (ev): 2.2842 2.2842 2.3374 2.3374 3.2219 3.2219 3.8258 3.8258 4.2728 4.2728 4.4028 4.4028 6.5607 6.5607 6.9073 6.9073 7.1670 7.1670 7.4317 7.4317 7.7171 7.7171 7.9317 7.9317 8.0692 8.0692 8.2532 8.2532 8.3616 8.3616 8.4166 8.4166 9.2298 9.2298 10.2983 10.2983 11.2875 11.2875 11.8157 11.8157 12.3990 12.3994 k =-0.2784 0.8264 0.3302 ( 3194 PWs) bands (ev): 2.3160 2.3160 2.3562 2.3562 3.2353 3.2353 3.7977 3.7977 4.2395 4.2395 4.3748 4.3748 6.6197 6.6197 6.9202 6.9202 7.1818 7.1818 7.4425 7.4425 7.7291 7.7291 7.9247 7.9247 8.0662 8.0662 8.2512 8.2512 8.3458 8.3458 8.4047 8.4047 9.2096 9.2096 10.2281 10.2281 11.3235 11.3235 11.8348 11.8348 12.4044 12.4044 k =-0.2784 0.8264 0.3475 ( 3197 PWs) bands (ev): 2.3477 2.3477 2.3759 2.3759 3.2497 3.2497 3.7707 3.7707 4.2056 4.2056 4.3455 4.3455 6.6797 6.6797 6.9345 6.9345 7.1974 7.1974 7.4526 7.4526 7.7419 7.7419 7.9145 7.9145 8.0638 8.0638 8.2489 8.2489 8.3292 8.3292 8.3946 8.3946 9.1893 9.1893 10.1561 10.1561 11.3602 11.3602 11.8505 11.8505 12.4088 12.4089 k =-0.2784 0.8264 0.3649 ( 3201 PWs) bands (ev): 2.3780 2.3780 2.3974 2.3974 3.2650 3.2650 3.7450 3.7450 4.1711 4.1711 4.3149 4.3149 6.7406 6.7406 6.9503 6.9503 7.2137 7.2137 7.4618 7.4618 7.7553 7.7553 7.9016 7.9016 8.0616 8.0616 8.2458 8.2458 8.3132 8.3132 8.3858 8.3858 9.1693 9.1693 10.0827 10.0827 11.3976 11.3976 11.8631 11.8631 12.4178 12.4178 k =-0.2784 0.8264 0.3823 ( 3205 PWs) bands (ev): 2.4047 2.4047 2.4227 2.4227 3.2812 3.2812 3.7209 3.7209 4.1362 4.1362 4.2830 4.2830 6.8021 6.8021 6.9674 6.9674 7.2309 7.2309 7.4701 7.4701 7.7692 7.7692 7.8864 7.8864 8.0591 8.0591 8.2411 8.2411 8.2989 8.2989 8.3779 8.3779 9.1498 9.1498 10.0084 10.0084 11.4355 11.4355 11.8728 11.8728 12.4309 12.4309 k =-0.2784 0.8264 0.3997 ( 3202 PWs) bands (ev): 2.4273 2.4273 2.4518 2.4518 3.2983 3.2983 3.6986 3.6986 4.1011 4.1011 4.2500 4.2500 6.8639 6.8639 6.9860 6.9860 7.2487 7.2487 7.4772 7.4772 7.7834 7.7834 7.8692 7.8692 8.0561 8.0561 8.2341 8.2341 8.2876 8.2876 8.3708 8.3708 9.1310 9.1310 9.9337 9.9337 11.4739 11.4739 11.8803 11.8803 12.4476 12.4476 k =-0.2784 0.8264 0.4170 ( 3204 PWs) bands (ev): 2.4480 2.4480 2.4819 2.4819 3.3164 3.3164 3.6786 3.6786 4.0658 4.0658 4.2159 4.2159 6.9257 6.9257 7.0062 7.0062 7.2673 7.2673 7.4829 7.4829 7.7976 7.7976 7.8504 7.8504 8.0522 8.0522 8.2242 8.2242 8.2798 8.2798 8.3642 8.3642 9.1131 9.1131 9.8590 9.8590 11.5126 11.5126 11.8858 11.8858 12.4671 12.4671 k =-0.2784 0.8264 0.4344 ( 3208 PWs) bands (ev): 2.4682 2.4682 2.5115 2.5115 3.3355 3.3355 3.6610 3.6610 4.0306 4.0306 4.1809 4.1809 6.9861 6.9861 7.0290 7.0290 7.2865 7.2865 7.4872 7.4872 7.8109 7.8109 7.8310 7.8310 8.0473 8.0473 8.2122 8.2122 8.2749 8.2749 8.3581 8.3581 9.0965 9.0965 9.7848 9.7848 11.5513 11.5513 11.8900 11.8900 12.4884 12.4884 k =-0.2784 0.8264 0.4518 ( 3202 PWs) bands (ev): 2.4881 2.4881 2.5396 2.5396 3.3557 3.3557 3.6462 3.6462 3.9954 3.9954 4.1450 4.1450 7.0367 7.0367 7.0622 7.0622 7.3064 7.3064 7.4900 7.4900 7.8065 7.8065 7.8278 7.8278 8.0413 8.0413 8.1992 8.1992 8.2719 8.2719 8.3526 8.3526 9.0815 9.0815 9.7118 9.7118 11.5900 11.5900 11.8933 11.8933 12.5103 12.5104 k =-0.2784 0.8264 0.4692 ( 3200 PWs) bands (ev): 2.5076 2.5076 2.5659 2.5659 3.3768 3.3768 3.6345 3.6345 3.9604 3.9604 4.1083 4.1083 7.0665 7.0665 7.1164 7.1164 7.3269 7.3269 7.4914 7.4914 7.7850 7.7850 7.8401 7.8401 8.0340 8.0340 8.1858 8.1858 8.2700 8.2700 8.3475 8.3475 9.0683 9.0683 9.6403 9.6403 11.6283 11.6283 11.8959 11.8959 12.5280 12.5297 k =-0.2784 0.8264 0.4865 ( 3198 PWs) bands (ev): 2.5267 2.5267 2.5897 2.5897 3.3989 3.3989 3.6263 3.6263 3.9258 3.9258 4.0711 4.0711 7.0916 7.0916 7.1742 7.1742 7.3481 7.3481 7.4917 7.4917 7.7620 7.7620 7.8519 7.8519 8.0256 8.0256 8.1726 8.1726 8.2687 8.2687 8.3430 8.3430 9.0574 9.0574 9.5710 9.5710 11.6658 11.6658 11.8981 11.8981 12.5311 12.5328 k =-0.2784 0.8264 0.5039 ( 3190 PWs) bands (ev): 2.5453 2.5453 2.6108 2.6108 3.4221 3.4221 3.6218 3.6218 3.8916 3.8916 4.0334 4.0334 7.1167 7.1167 7.2300 7.2300 7.3699 7.3699 7.4918 7.4918 7.7384 7.7384 7.8618 7.8618 8.0165 8.0165 8.1600 8.1600 8.2677 8.2677 8.3389 8.3389 9.0490 9.0490 9.5044 9.5044 11.7022 11.7022 11.9001 11.9001 12.5297 12.5297 k =-0.2784 0.8264 0.5213 ( 3187 PWs) bands (ev): 2.5633 2.5633 2.6288 2.6288 3.4462 3.4462 3.6213 3.6213 3.8580 3.8580 3.9956 3.9956 7.1420 7.1420 7.2811 7.2811 7.3920 7.3920 7.4936 7.4936 7.7146 7.7146 7.8686 7.8686 8.0073 8.0073 8.1480 8.1480 8.2669 8.2669 8.3354 8.3354 9.0437 9.0437 9.4409 9.4409 11.7368 11.7368 11.9019 11.9019 12.5278 12.5282 k =-0.2784 0.8264 0.5387 ( 3185 PWs) bands (ev): 2.5805 2.5805 2.6433 2.6433 3.4711 3.4711 3.6249 3.6249 3.8251 3.8251 3.9578 3.9578 7.1676 7.1676 7.3239 7.3239 7.4129 7.4129 7.5013 7.5013 7.6908 7.6908 7.8705 7.8705 7.9992 7.9992 8.1369 8.1369 8.2661 8.2661 8.3322 8.3322 9.0417 9.0417 9.3811 9.3811 11.7692 11.7692 11.9034 11.9034 12.5267 12.5267 k =-0.2784 0.8264 0.5561 ( 3185 PWs) bands (ev): 2.5968 2.5968 2.6544 2.6544 3.4968 3.4968 3.6326 3.6326 3.7930 3.7930 3.9203 3.9203 7.1932 7.1932 7.3538 7.3538 7.4312 7.4312 7.5203 7.5203 7.6675 7.6675 7.8657 7.8657 7.9935 7.9935 8.1268 8.1268 8.2654 8.2654 8.3295 8.3295 9.0434 9.0434 9.3254 9.3254 11.7988 11.7988 11.9045 11.9045 12.5275 12.5276 k =-0.2784 0.8264 0.5734 ( 3187 PWs) bands (ev): 2.6119 2.6119 2.6618 2.6618 3.5231 3.5231 3.6441 3.6441 3.7622 3.7622 3.8834 3.8834 7.2185 7.2185 7.3674 7.3674 7.4491 7.4491 7.5504 7.5504 7.6462 7.6462 7.8529 7.8529 7.9911 7.9911 8.1178 8.1178 8.2648 8.2648 8.3273 8.3273 9.0492 9.0492 9.2742 9.2742 11.8249 11.8249 11.9048 11.9048 12.5311 12.5312 k =-0.2784 0.8264 0.5908 ( 3186 PWs) bands (ev): 2.6255 2.6255 2.6659 2.6659 3.5498 3.5498 3.6581 3.6581 3.7338 3.7338 3.8478 3.8478 7.2432 7.2432 7.3666 7.3666 7.4691 7.4691 7.5793 7.5793 7.6341 7.6341 7.8321 7.8321 7.9914 7.9914 8.1104 8.1104 8.2643 8.2643 8.3255 8.3255 9.0595 9.0595 9.2279 9.2279 11.8472 11.8472 11.9041 11.9041 12.5380 12.5380 k =-0.2784 0.8264 0.6082 ( 3184 PWs) bands (ev): 2.6373 2.6373 2.6667 2.6667 3.5767 3.5767 3.6686 3.6686 3.7134 3.7134 3.8143 3.8143 7.2664 7.2664 7.3572 7.3572 7.4908 7.4908 7.5791 7.5791 7.6543 7.6543 7.8047 7.8047 7.9931 7.9931 8.1047 8.1047 8.2639 8.2639 8.3243 8.3243 9.0744 9.0744 9.1868 9.1868 11.8655 11.8655 11.9019 11.9019 12.5481 12.5481 k =-0.2784 0.8264 0.6256 ( 3184 PWs) bands (ev): 2.6465 2.6465 2.6650 2.6650 3.6030 3.6030 3.6585 3.6585 3.7166 3.7166 3.7847 3.7847 7.2865 7.2865 7.3445 7.3445 7.5124 7.5124 7.5613 7.5613 7.6921 7.6921 7.7722 7.7722 7.9947 7.9947 8.1012 8.1012 8.2637 8.2637 8.3235 8.3235 9.0942 9.0942 9.1512 9.1512 11.8797 11.8797 11.8975 11.8975 12.5610 12.5615 k =-0.2784 0.8264 0.6429 ( 3186 PWs) bands (ev): 2.6508 2.6508 2.6633 2.6633 3.6215 3.6215 3.6424 3.6424 3.7266 3.7266 3.7690 3.7690 7.2964 7.2964 7.3369 7.3369 7.5273 7.5273 7.5472 7.5472 7.7228 7.7228 7.7439 7.7439 7.9953 7.9953 8.0999 8.0999 8.2636 8.2636 8.3232 8.3232 9.1145 9.1145 9.1256 9.1256 11.8890 11.8890 11.8915 11.8915 12.5751 12.5753 k =-0.2784 0.8264 0.6429 ( 3186 PWs) bands (ev): 2.6508 2.6508 2.6633 2.6633 3.6215 3.6215 3.6424 3.6424 3.7266 3.7266 3.7690 3.7690 7.2964 7.2964 7.3369 7.3369 7.5273 7.5273 7.5472 7.5472 7.7228 7.7228 7.7439 7.7439 7.9953 7.9953 8.0999 8.0999 8.2636 8.2636 8.3232 8.3232 9.1145 9.1145 9.1256 9.1256 11.8890 11.8890 11.8915 11.8915 12.5752 12.5754 k =-0.2839 0.8100 0.6429 ( 3186 PWs) bands (ev): 2.6460 2.6460 2.6604 2.6604 3.6154 3.6154 3.6336 3.6336 3.7129 3.7129 3.7535 3.7535 7.2882 7.2882 7.3256 7.3256 7.5238 7.5238 7.5456 7.5456 7.7155 7.7155 7.7305 7.7305 8.0002 8.0002 8.1060 8.1060 8.3086 8.3086 8.3675 8.3675 9.1330 9.1330 9.1460 9.1460 11.8627 11.8627 11.8646 11.8646 12.5207 12.5226 k =-0.2894 0.7935 0.6429 ( 3186 PWs) bands (ev): 2.6367 2.6367 2.6531 2.6531 3.5950 3.5950 3.6017 3.6017 3.7240 3.7240 3.7540 3.7540 7.2793 7.2793 7.3139 7.3139 7.5203 7.5203 7.5442 7.5442 7.7085 7.7085 7.7173 7.7173 8.0054 8.0054 8.1116 8.1116 8.3592 8.3592 8.4165 8.4165 9.1531 9.1531 9.1681 9.1681 11.8331 11.8331 11.8344 11.8344 12.4607 12.4619 k =-0.2950 0.7771 0.6429 ( 3190 PWs) bands (ev): 2.6235 2.6235 2.6419 2.6419 3.5597 3.5597 3.5623 3.5623 3.7465 3.7465 3.7682 3.7682 7.2699 7.2699 7.3021 7.3021 7.5170 7.5170 7.5430 7.5430 7.7018 7.7018 7.7045 7.7045 8.0109 8.0109 8.1171 8.1171 8.4143 8.4143 8.4692 8.4692 9.1750 9.1750 9.1921 9.1921 11.8001 11.8001 11.8007 11.8007 12.3983 12.4009 k =-0.3005 0.7606 0.6429 ( 3184 PWs) bands (ev): 2.6068 2.6068 2.6270 2.6270 3.5138 3.5138 3.5222 3.5222 3.7741 3.7741 3.7909 3.7909 7.2603 7.2603 7.2903 7.2903 7.5138 7.5138 7.5420 7.5420 7.6924 7.6924 7.6956 7.6956 8.0168 8.0168 8.1227 8.1227 8.4730 8.4730 8.5251 8.5251 9.1989 9.1989 9.2182 9.2182 11.7637 11.7637 11.7637 11.7637 12.3353 12.3357 k =-0.3061 0.7442 0.6429 ( 3188 PWs) bands (ev): 2.5871 2.5871 2.6090 2.6090 3.4658 3.4658 3.4777 3.4777 3.8048 3.8048 3.8188 3.8188 7.2506 7.2506 7.2787 7.2787 7.5109 7.5109 7.5412 7.5412 7.6813 7.6813 7.6902 7.6902 8.0231 8.0231 8.1285 8.1285 8.5343 8.5343 8.5831 8.5831 9.2252 9.2252 9.2469 9.2469 11.7233 11.7233 11.7238 11.7238 12.2725 12.2726 k =-0.3116 0.7277 0.6429 ( 3188 PWs) bands (ev): 2.5647 2.5647 2.5882 2.5882 3.4163 3.4163 3.4306 3.4306 3.8378 3.8378 3.8501 3.8501 7.2410 7.2410 7.2674 7.2674 7.5081 7.5081 7.5404 7.5404 7.6716 7.6716 7.6859 7.6859 8.0298 8.0298 8.1347 8.1347 8.5974 8.5974 8.6426 8.6426 9.2542 9.2542 9.2784 9.2784 11.6796 11.6796 11.6806 11.6806 12.2106 12.2106 k =-0.3172 0.7113 0.6429 ( 3196 PWs) bands (ev): 2.5401 2.5401 2.5649 2.5649 3.3657 3.3657 3.3816 3.3816 3.8723 3.8723 3.8836 3.8836 7.2316 7.2316 7.2564 7.2564 7.5053 7.5053 7.5394 7.5394 7.6636 7.6636 7.6829 7.6829 8.0370 8.0370 8.1411 8.1411 8.6612 8.6612 8.7024 8.7024 9.2863 9.2863 9.3132 9.3132 11.6328 11.6328 11.6343 11.6343 12.1502 12.1507 k =-0.3227 0.6948 0.6429 ( 3192 PWs) bands (ev): 2.5136 2.5136 2.5397 2.5397 3.3145 3.3145 3.3313 3.3313 3.9080 3.9080 3.9188 3.9188 7.2226 7.2226 7.2460 7.2460 7.5024 7.5024 7.5378 7.5378 7.6578 7.6578 7.6815 7.6815 8.0444 8.0444 8.1478 8.1478 8.7250 8.7250 8.7620 8.7620 9.3221 9.3221 9.3519 9.3519 11.5833 11.5833 11.5852 11.5852 12.0917 12.0920 k =-0.3282 0.6784 0.6429 ( 3196 PWs) bands (ev): 2.4856 2.4856 2.5127 2.5127 3.2627 3.2627 3.2802 3.2802 3.9445 3.9445 3.9550 3.9550 7.2140 7.2140 7.2362 7.2362 7.4992 7.4992 7.5354 7.5354 7.6546 7.6546 7.6820 7.6820 8.0523 8.0523 8.1549 8.1549 8.7879 8.7879 8.8204 8.8204 9.3621 9.3621 9.3949 9.3949 11.5315 11.5315 11.5337 11.5337 12.0351 12.0353 k =-0.3338 0.6619 0.6429 ( 3192 PWs) bands (ev): 2.4563 2.4563 2.4843 2.4843 3.2107 3.2107 3.2285 3.2285 3.9814 3.9814 3.9918 3.9918 7.2061 7.2061 7.2271 7.2271 7.4958 7.4958 7.5319 7.5319 7.6542 7.6542 7.6846 7.6846 8.0604 8.0604 8.1622 8.1622 8.8489 8.8489 8.8767 8.8767 9.4068 9.4068 9.4426 9.4426 11.4778 11.4778 11.4802 11.4802 11.9803 11.9806 k =-0.3393 0.6455 0.6429 ( 3196 PWs) bands (ev): 2.4259 2.4259 2.4547 2.4547 3.1586 3.1586 3.1766 3.1766 4.0185 4.0185 4.0290 4.0290 7.1988 7.1988 7.2187 7.2187 7.4920 7.4920 7.5273 7.5273 7.6568 7.6568 7.6892 7.6892 8.0689 8.0689 8.1698 8.1698 8.9074 8.9074 8.9305 8.9305 9.4566 9.4566 9.4953 9.4953 11.4227 11.4227 11.4254 11.4254 11.9272 11.9272 k =-0.3449 0.6290 0.6429 ( 3196 PWs) bands (ev): 2.3948 2.3948 2.4242 2.4242 3.1067 3.1067 3.1247 3.1247 4.0555 4.0555 4.0661 4.0661 7.1924 7.1924 7.2112 7.2112 7.4878 7.4878 7.5217 7.5217 7.6621 7.6621 7.6961 7.6961 8.0776 8.0776 8.1777 8.1777 8.9628 8.9628 8.9814 8.9814 9.5118 9.5118 9.5531 9.5531 11.3668 11.3668 11.3697 11.3697 11.8757 11.8757 k =-0.3504 0.6126 0.6429 ( 3188 PWs) bands (ev): 2.3630 2.3630 2.3928 2.3928 3.0553 3.0553 3.0730 3.0730 4.0922 4.0922 4.1030 4.1030 7.1868 7.1868 7.2045 7.2045 7.4833 7.4833 7.5154 7.5154 7.6700 7.6700 7.7050 7.7050 8.0866 8.0866 8.1857 8.1857 9.0149 9.0149 9.0293 9.0293 9.5724 9.5724 9.6158 9.6158 11.3106 11.3106 11.3136 11.3136 11.8253 11.8253 k =-0.3559 0.5961 0.6429 ( 3188 PWs) bands (ev): 2.3309 2.3309 2.3609 2.3609 3.0043 3.0043 3.0217 3.0217 4.1285 4.1285 4.1395 4.1395 7.1822 7.1822 7.1987 7.1987 7.4786 7.4786 7.5086 7.5086 7.6802 7.6802 7.7160 7.7160 8.0959 8.0959 8.1940 8.1940 9.0636 9.0636 9.0742 9.0742 9.6381 9.6381 9.6830 9.6830 11.2545 11.2545 11.2578 11.2578 11.7761 11.7761 k =-0.3615 0.5797 0.6429 ( 3202 PWs) bands (ev): 2.2984 2.2984 2.3285 2.3285 2.9541 2.9541 2.9711 2.9711 4.1641 4.1641 4.1753 4.1753 7.1785 7.1785 7.1938 7.1938 7.4736 7.4736 7.5014 7.5014 7.6923 7.6923 7.7289 7.7289 8.1052 8.1052 8.2023 8.2023 9.1091 9.1091 9.1163 9.1163 9.7085 9.7085 9.7543 9.7543 11.1992 11.1992 11.2026 11.2026 11.7278 11.7278 k =-0.3670 0.5632 0.6429 ( 3198 PWs) bands (ev): 2.2659 2.2659 2.2958 2.2958 2.9049 2.9049 2.9214 2.9214 4.1988 4.1988 4.2103 4.2103 7.1758 7.1758 7.1900 7.1900 7.4686 7.4686 7.4942 7.4942 7.7061 7.7061 7.7435 7.7435 8.1148 8.1148 8.2108 8.2108 9.1519 9.1519 9.1562 9.1562 9.7829 9.7829 9.8290 9.8290 11.1449 11.1449 11.1484 11.1484 11.6801 11.6801 k =-0.3726 0.5468 0.6429 ( 3194 PWs) bands (ev): 2.2334 2.2334 2.2630 2.2630 2.8567 2.8567 2.8726 2.8726 4.2326 4.2326 4.2444 4.2444 7.1742 7.1742 7.1871 7.1871 7.4636 7.4636 7.4870 7.4870 7.7214 7.7214 7.7598 7.7598 8.1245 8.1245 8.2194 8.2194 9.1924 9.1924 9.1940 9.1940 9.8607 9.8607 9.9065 9.9065 11.0921 11.0921 11.0958 11.0958 11.6331 11.6332 k =-0.3781 0.5303 0.6429 ( 3194 PWs) bands (ev): 2.2010 2.2010 2.2303 2.2303 2.8098 2.8098 2.8251 2.8251 4.2654 4.2654 4.2773 4.2773 7.1737 7.1737 7.1852 7.1852 7.4586 7.4586 7.4799 7.4799 7.7381 7.7381 7.7774 7.7774 8.1343 8.1343 8.2280 8.2280 9.2303 9.2303 9.2309 9.2309 9.9411 9.9411 9.9862 9.9862 11.0412 11.0412 11.0449 11.0449 11.5865 11.5865 k =-0.3836 0.5139 0.6429 ( 3194 PWs) bands (ev): 2.1690 2.1690 2.1977 2.1977 2.7643 2.7643 2.7789 2.7789 4.2970 4.2970 4.3090 4.3090 7.1741 7.1741 7.1843 7.1843 7.4537 7.4537 7.4731 7.4731 7.7559 7.7559 7.7963 7.7963 8.1442 8.1442 8.2366 8.2366 9.2652 9.2652 9.2678 9.2678 10.0237 10.0237 10.0675 10.0675 10.9927 10.9927 10.9963 10.9963 11.5404 11.5404 k =-0.3892 0.4974 0.6429 ( 3192 PWs) bands (ev): 2.1374 2.1374 2.1654 2.1654 2.7202 2.7202 2.7341 2.7341 4.3273 4.3273 4.3395 4.3395 7.1755 7.1755 7.1843 7.1843 7.4489 7.4489 7.4664 7.4664 7.7746 7.7746 7.8162 7.8162 8.1541 8.1541 8.2451 8.2451 9.2990 9.2990 9.3035 9.3035 10.1077 10.1077 10.1497 10.1497 10.9469 10.9469 10.9504 10.9504 11.4946 11.4946 k =-0.3947 0.4810 0.6429 ( 3194 PWs) bands (ev): 2.1064 2.1064 2.1336 2.1336 2.6778 2.6778 2.6910 2.6910 4.3563 4.3563 4.3685 4.3685 7.1778 7.1778 7.1852 7.1852 7.4443 7.4443 7.4599 7.4599 7.7941 7.7941 7.8369 7.8369 8.1640 8.1640 8.2536 8.2536 9.3319 9.3319 9.3380 9.3380 10.1926 10.1926 10.2322 10.2322 10.9045 10.9045 10.9075 10.9075 11.4491 11.4492 k =-0.4003 0.4645 0.6429 ( 3194 PWs) bands (ev): 2.0760 2.0760 2.1023 2.1023 2.6372 2.6372 2.6495 2.6495 4.3839 4.3839 4.3961 4.3961 7.1810 7.1810 7.1870 7.1870 7.4398 7.4398 7.4537 7.4537 7.8142 7.8142 7.8583 7.8583 8.1740 8.1740 8.2619 8.2619 9.3640 9.3640 9.3716 9.3716 10.2776 10.2776 10.3142 10.3142 10.8663 10.8663 10.8683 10.8683 11.4041 11.4041 k =-0.4058 0.4481 0.6429 ( 3202 PWs) bands (ev): 2.0464 2.0464 2.0717 2.0717 2.5983 2.5983 2.6099 2.6099 4.4100 4.4100 4.4221 4.4221 7.1849 7.1849 7.1895 7.1895 7.4356 7.4356 7.4478 7.4478 7.8348 7.8348 7.8800 7.8800 8.1838 8.1838 8.2699 8.2699 9.3953 9.3953 9.4042 9.4042 10.3617 10.3617 10.3941 10.3941 10.8337 10.8337 10.8339 10.8339 11.3593 11.3593 k =-0.4113 0.4316 0.6429 ( 3202 PWs) bands (ev): 2.0178 2.0178 2.0419 2.0419 2.5614 2.5614 2.5722 2.5722 4.4347 4.4347 4.4467 4.4467 7.1895 7.1895 7.1928 7.1928 7.4315 7.4315 7.4422 7.4422 7.8558 7.8558 7.9020 7.9020 8.1937 8.1937 8.2778 8.2778 9.4258 9.4258 9.4359 9.4359 10.4429 10.4429 10.4691 10.4691 10.8062 10.8062 10.8097 10.8097 11.3150 11.3150 k =-0.4169 0.4152 0.6429 ( 3210 PWs) bands (ev): 1.9902 1.9902 2.0131 2.0131 2.5265 2.5265 2.5364 2.5364 4.4578 4.4578 4.4696 4.4696 7.1947 7.1947 7.1966 7.1966 7.4276 7.4276 7.4367 7.4367 7.8768 7.8768 7.9239 7.9239 8.2034 8.2034 8.2853 8.2853 9.4555 9.4555 9.4666 9.4666 10.5170 10.5170 10.5334 10.5334 10.7895 10.7895 10.8003 10.8003 11.2711 11.2711 k =-0.4224 0.3987 0.6429 ( 3210 PWs) bands (ev): 1.9638 1.9638 1.9854 1.9854 2.4936 2.4936 2.5028 2.5028 4.4794 4.4794 4.4909 4.4909 7.2004 7.2004 7.2011 7.2011 7.4240 7.4240 7.4316 7.4316 7.8979 7.8979 7.9456 7.9456 8.2130 8.2130 8.2925 8.2925 9.4842 9.4842 9.4962 9.4962 10.5744 10.5744 10.5770 10.5770 10.7936 10.7936 10.8156 10.8156 11.2276 11.2276 k =-0.4280 0.3823 0.6429 ( 3214 PWs) bands (ev): 1.9387 1.9387 1.9589 1.9589 2.4628 2.4628 2.4712 2.4712 4.4995 4.4995 4.5106 4.5106 7.2059 7.2059 7.2064 7.2064 7.4204 7.4204 7.4267 7.4267 7.9187 7.9187 7.9667 7.9667 8.2225 8.2225 8.2993 8.2993 9.5119 9.5119 9.5246 9.5246 10.5945 10.5945 10.6037 10.6037 10.8298 10.8298 10.8610 10.8610 11.1848 11.1848 k =-0.4335 0.3658 0.6429 ( 3214 PWs) bands (ev): 1.9149 1.9149 1.9338 1.9338 2.4342 2.4342 2.4418 2.4418 4.5181 4.5181 4.5287 4.5287 7.2111 7.2111 7.2127 7.2127 7.4171 7.4171 7.4221 7.4221 7.9392 7.9392 7.9871 7.9871 8.2318 8.2318 8.3056 8.3056 9.5383 9.5383 9.5514 9.5514 10.5948 10.5948 10.6094 10.6094 10.8936 10.8936 10.9279 10.9279 11.1431 11.1431 k =-0.4391 0.3494 0.6429 ( 3222 PWs) bands (ev): 1.8927 1.8927 1.9101 1.9101 2.4078 2.4078 2.4147 2.4147 4.5351 4.5351 4.5452 4.5452 7.2166 7.2166 7.2190 7.2190 7.4139 7.4139 7.4177 7.4177 7.9592 7.9592 8.0066 8.0066 8.2410 8.2410 8.3113 8.3113 9.5633 9.5633 9.5766 9.5766 10.5883 10.5883 10.6049 10.6049 10.9702 10.9702 11.0057 11.0057 11.1039 11.1039 k =-0.4446 0.3329 0.6429 ( 3218 PWs) bands (ev): 1.8721 1.8721 1.8880 1.8880 2.3837 2.3837 2.3898 2.3898 4.5507 4.5507 4.5601 4.5601 7.2222 7.2222 7.2254 7.2254 7.4109 7.4109 7.4136 7.4136 7.9786 7.9786 8.0248 8.0248 8.2500 8.2500 8.3164 8.3164 9.5867 9.5867 9.5999 9.5999 10.5809 10.5809 10.5984 10.5984 11.0311 11.0311 11.0716 11.0716 11.0878 11.0878 k =-0.4501 0.3165 0.6429 ( 3218 PWs) bands (ev): 1.8532 1.8532 1.8676 1.8676 2.3617 2.3617 2.3672 2.3672 4.5647 4.5647 4.5734 4.5734 7.2278 7.2278 7.2317 7.2317 7.4081 7.4081 7.4098 7.4098 7.9970 7.9970 8.0415 8.0415 8.2587 8.2587 8.3208 8.3208 9.6083 9.6083 9.6211 9.6211 10.5750 10.5750 10.5932 10.5932 11.0098 11.0098 11.0359 11.0359 11.1583 11.1583 k =-0.4557 0.3000 0.6429 ( 3222 PWs) bands (ev): 1.8361 1.8361 1.8489 1.8489 2.3421 2.3421 2.3468 2.3468 4.5772 4.5772 4.5852 4.5852 7.2334 7.2334 7.2376 7.2376 7.4053 7.4053 7.4063 7.4063 8.0145 8.0145 8.0565 8.0565 8.2673 8.2673 8.3244 8.3244 9.6278 9.6278 9.6400 9.6400 10.5721 10.5721 10.5908 10.5908 10.9726 10.9726 10.9965 10.9965 11.2477 11.2477 k =-0.4612 0.2836 0.6429 ( 3226 PWs) bands (ev): 1.8210 1.8210 1.8322 1.8322 2.3248 2.3248 2.3288 2.3288 4.5883 4.5883 4.5954 4.5954 7.2387 7.2387 7.2431 7.2431 7.4027 7.4027 7.4030 7.4030 8.0308 8.0308 8.0697 8.0697 8.2756 8.2756 8.3273 8.3273 9.6453 9.6453 9.6566 9.6566 10.5725 10.5725 10.5917 10.5917 10.9347 10.9347 10.9579 10.9579 11.3403 11.3403 k =-0.4668 0.2671 0.6429 ( 3226 PWs) bands (ev): 1.8077 1.8077 1.8174 1.8174 2.3097 2.3097 2.3132 2.3132 4.5980 4.5980 4.6042 4.6042 7.2438 7.2438 7.2482 7.2482 7.4001 7.4001 7.4004 7.4004 8.0458 8.0458 8.0808 8.0808 8.2836 8.2836 8.3293 8.3293 9.6606 9.6606 9.6708 9.6708 10.5766 10.5766 10.5961 10.5961 10.8977 10.8977 10.9205 10.9205 11.4342 11.4342 k =-0.4723 0.2507 0.6429 ( 3224 PWs) bands (ev): 1.7966 1.7966 1.8046 1.8046 2.2970 2.2970 2.2999 2.2999 4.6062 4.6062 4.6114 4.6114 7.2485 7.2485 7.2526 7.2526 7.3976 7.3976 7.3982 7.3982 8.0593 8.0593 8.0898 8.0898 8.2913 8.2913 8.3303 8.3303 9.6736 9.6736 9.6824 9.6824 10.5843 10.5843 10.6040 10.6040 10.8621 10.8621 10.8844 10.8844 11.5289 11.5289 k =-0.4778 0.2342 0.6429 ( 3220 PWs) bands (ev): 1.7875 1.7875 1.7939 1.7939 2.2867 2.2867 2.2889 2.2889 4.6130 4.6130 4.6172 4.6172 7.2526 7.2526 7.2562 7.2562 7.3956 7.3956 7.3963 7.3963 8.0713 8.0713 8.0966 8.0966 8.2985 8.2985 8.3305 8.3305 9.6843 9.6843 9.6916 9.6916 10.5953 10.5953 10.6150 10.6150 10.8285 10.8285 10.8501 10.8501 11.6236 11.6236 k =-0.4834 0.2178 0.6429 ( 3216 PWs) bands (ev): 1.7805 1.7805 1.7854 1.7854 2.2787 2.2787 2.2804 2.2804 4.6184 4.6184 4.6216 4.6216 7.2561 7.2561 7.2590 7.2590 7.3940 7.3940 7.3947 7.3947 8.0816 8.0816 8.1011 8.1011 8.3052 8.3052 8.3296 8.3296 9.6928 9.6928 9.6984 9.6984 10.6092 10.6092 10.6281 10.6281 10.7978 10.7978 10.8181 10.8181 11.7173 11.7173 k =-0.4889 0.2013 0.6429 ( 3212 PWs) bands (ev): 1.7758 1.7758 1.7790 1.7790 2.2731 2.2731 2.2742 2.2742 4.6224 4.6224 4.6245 4.6245 7.2589 7.2589 7.2609 7.2609 7.3929 7.3929 7.3935 7.3935 8.0900 8.0900 8.1032 8.1032 8.3113 8.3113 8.3278 8.3278 9.6991 9.6991 9.7029 9.7029 10.6250 10.6250 10.6416 10.6416 10.7718 10.7718 10.7894 10.7894 11.8078 11.8078 k =-0.4945 0.1849 0.6429 ( 3208 PWs) bands (ev): 1.7733 1.7733 1.7749 1.7749 2.2698 2.2698 2.2703 2.2703 4.6250 4.6250 4.6261 4.6261 7.2608 7.2608 7.2619 7.2619 7.3923 7.3923 7.3927 7.3927 8.0965 8.0965 8.1032 8.1032 8.3167 8.3167 8.3250 8.3250 9.7033 9.7033 9.7052 9.7052 10.6406 10.6406 10.6515 10.6515 10.7547 10.7547 10.7660 10.7660 11.8877 11.8877 k =-0.5000 0.1684 0.6429 ( 3204 PWs) bands (ev): 1.7730 1.7730 1.7730 1.7730 2.2689 2.2689 2.2689 2.2689 4.6262 4.6262 4.6262 4.6262 7.2618 7.2618 7.2618 7.2618 7.3923 7.3923 7.3923 7.3923 8.1009 8.1009 8.1009 8.1009 8.3213 8.3213 8.3213 8.3213 9.7053 9.7053 9.7053 9.7053 10.6514 10.6514 10.6514 10.6514 10.7525 10.7525 10.7525 10.7525 11.9278 11.9278 k =-0.5000 0.1684 0.6429 ( 3204 PWs) bands (ev): 1.7730 1.7730 1.7730 1.7730 2.2689 2.2689 2.2689 2.2689 4.6262 4.6262 4.6262 4.6262 7.2618 7.2618 7.2618 7.2618 7.3923 7.3923 7.3923 7.3923 8.1009 8.1009 8.1009 8.1009 8.3213 8.3213 8.3213 8.3213 9.7053 9.7053 9.7053 9.7053 10.6514 10.6514 10.6514 10.6514 10.7525 10.7525 10.7525 10.7525 11.9278 11.9278 k =-0.5000 0.1684 0.6256 ( 3204 PWs) bands (ev): 1.7066 1.7066 1.8356 1.8356 2.2229 2.2229 2.3195 2.3195 4.5569 4.5569 4.6967 4.6967 7.2587 7.2587 7.2652 7.2652 7.3801 7.3801 7.4046 7.4046 8.0694 8.0694 8.1309 8.1309 8.2871 8.2871 8.3556 8.3556 9.6836 9.6836 9.7261 9.7261 10.6367 10.6367 10.6665 10.6665 10.7238 10.7238 10.7786 10.7786 11.8873 11.8873 k =-0.5000 0.1684 0.6082 ( 3208 PWs) bands (ev): 1.6387 1.6387 1.8893 1.8893 2.1865 2.1865 2.3724 2.3724 4.4889 4.4889 4.7682 4.7682 7.2558 7.2558 7.2688 7.2688 7.3683 7.3683 7.4170 7.4170 8.0373 8.0373 8.1571 8.1571 8.2548 8.2548 8.3893 8.3893 9.6610 9.6610 9.7460 9.7460 10.6206 10.6206 10.6787 10.6787 10.6995 10.6995 10.8008 10.8008 11.8474 11.8474 k =-0.5000 0.1684 0.5908 ( 3212 PWs) bands (ev): 1.5703 1.5703 1.9233 1.9233 2.1709 2.1709 2.4266 2.4266 4.4222 4.4222 4.8407 4.8407 7.2533 7.2533 7.2725 7.2725 7.3569 7.3569 7.4292 7.4292 8.0053 8.0053 8.1706 8.1706 8.2334 8.2334 8.4222 8.4222 9.6374 9.6374 9.7652 9.7652 10.5974 10.5974 10.6659 10.6659 10.7079 10.7079 10.8186 10.8186 11.8081 11.8081 k =-0.5000 0.1684 0.5734 ( 3220 PWs) bands (ev): 1.5022 1.5022 1.9251 1.9251 2.1880 2.1880 2.4815 2.4815 4.3571 4.3571 4.9139 4.9139 7.2511 7.2511 7.2762 7.2762 7.3461 7.3461 7.4409 7.4409 7.9737 7.9737 8.1542 8.1542 8.2397 8.2397 8.4542 8.4542 9.6128 9.6128 9.7837 9.7837 10.5619 10.5619 10.6546 10.6546 10.7280 10.7280 10.8319 10.8319 11.7695 11.7695 k =-0.5000 0.1684 0.5561 ( 3220 PWs) bands (ev): 1.4345 1.4345 1.8994 1.8994 2.2336 2.2336 2.5367 2.5367 4.2934 4.2934 4.9878 4.9878 7.2495 7.2495 7.2799 7.2799 7.3360 7.3360 7.4519 7.4519 7.9431 7.9431 8.1215 8.1215 8.2600 8.2600 8.4851 8.4851 9.5872 9.5872 9.8018 9.8018 10.5163 10.5163 10.6524 10.6524 10.7504 10.7504 10.8410 10.8410 11.7318 11.7318 k =-0.5000 0.1684 0.5387 ( 3214 PWs) bands (ev): 1.3677 1.3677 1.8596 1.8596 2.2940 2.2940 2.5920 2.5920 4.2315 4.2315 5.0623 5.0623 7.2484 7.2484 7.2835 7.2835 7.3266 7.3266 7.4618 7.4618 7.9140 7.9140 8.0847 8.0847 8.2818 8.2818 8.5149 8.5149 9.5606 9.5606 9.8194 9.8194 10.4643 10.4643 10.6569 10.6569 10.7736 10.7736 10.8465 10.8465 11.6950 11.6950 k =-0.5000 0.1684 0.5213 ( 3214 PWs) bands (ev): 1.3018 1.3018 1.8136 1.8136 2.3612 2.3612 2.6471 2.6471 4.1713 4.1713 5.1371 5.1371 7.2479 7.2479 7.2869 7.2869 7.3182 7.3182 7.4700 7.4700 7.8872 7.8872 8.0463 8.0463 8.3023 8.3023 8.5434 8.5434 9.5332 9.5332 9.8369 9.8369 10.4075 10.4075 10.6669 10.6669 10.7955 10.7955 10.8504 10.8504 11.6592 11.6592 k =-0.5000 0.1684 0.5039 ( 3210 PWs) bands (ev): 1.2370 1.2370 1.7651 1.7651 2.4316 2.4316 2.7020 2.7020 4.1130 4.1130 5.2120 5.2120 7.2480 7.2480 7.2899 7.2899 7.3109 7.3109 7.4760 7.4760 7.8631 7.8631 8.0073 8.0073 8.3206 8.3206 8.5707 8.5707 9.5048 9.5048 9.8543 9.8543 10.3472 10.3472 10.6820 10.6820 10.8101 10.8101 10.8588 10.8588 11.6245 11.6245 k =-0.5000 0.1684 0.4865 ( 3212 PWs) bands (ev): 1.1735 1.1735 1.7157 1.7157 2.5036 2.5036 2.7564 2.7564 4.0567 4.0567 5.2870 5.2870 7.2488 7.2488 7.2918 7.2918 7.3054 7.3054 7.4793 7.4793 7.8424 7.8424 7.9679 7.9679 8.3364 8.3364 8.5967 8.5967 9.4757 9.4757 9.8717 9.8717 10.2839 10.2839 10.7020 10.7020 10.8109 10.8109 10.8785 10.8785 11.5911 11.5911 k =-0.5000 0.1684 0.4692 ( 3214 PWs) bands (ev): 1.1113 1.1113 1.6660 1.6660 2.5763 2.5763 2.8103 2.8103 4.0024 4.0024 5.3618 5.3618 7.2503 7.2503 7.2913 7.2913 7.3032 7.3032 7.4792 7.4792 7.8258 7.8258 7.9283 7.9283 8.3493 8.3493 8.6214 8.6214 9.4458 9.4458 9.8893 9.8893 10.2183 10.2183 10.7265 10.7265 10.8019 10.8019 10.9057 10.9057 11.5589 11.5589 k =-0.5000 0.1684 0.4518 ( 3222 PWs) bands (ev): 1.0506 1.0506 1.6167 1.6167 2.6490 2.6490 2.8636 2.8636 3.9504 3.9504 5.4362 5.4362 7.2524 7.2524 7.2884 7.2884 7.3040 7.3040 7.4754 7.4754 7.8134 7.8134 7.8889 7.8889 8.3591 8.3591 8.6448 8.6448 9.4152 9.4152 9.9072 9.9072 10.1510 10.1510 10.7531 10.7531 10.7899 10.7899 10.9363 10.9363 11.5283 11.5283 k =-0.5000 0.1684 0.4344 ( 3226 PWs) bands (ev): 0.9914 0.9914 1.5680 1.5680 2.7213 2.7213 2.9161 2.9161 3.9007 3.9007 5.5100 5.5100 7.2551 7.2551 7.2855 7.2855 7.3059 7.3059 7.4679 7.4679 7.8049 7.8049 7.8505 7.8505 8.3660 8.3660 8.6668 8.6668 9.3841 9.3841 9.9255 9.9255 10.0824 10.0824 10.7580 10.7580 10.8000 10.8000 10.9688 10.9688 11.4993 11.4993 k =-0.5000 0.1684 0.4170 ( 3234 PWs) bands (ev): 0.9338 0.9338 1.5201 1.5201 2.7928 2.7928 2.9678 2.9678 3.8537 3.8537 5.5830 5.5830 7.2578 7.2578 7.2836 7.2836 7.3079 7.3079 7.4569 7.4569 7.7941 7.7941 7.8189 7.8189 8.3699 8.3699 8.6875 8.6875 9.3526 9.3526 9.9437 9.9437 10.0137 10.0137 10.7379 10.7379 10.8363 10.8363 11.0027 11.0027 11.4722 11.4722 k =-0.5000 0.1684 0.3997 ( 3224 PWs) bands (ev): 0.8780 0.8780 1.4733 1.4733 2.8630 2.8630 3.0185 3.0185 3.8097 3.8097 5.6551 5.6551 7.2603 7.2603 7.2835 7.2835 7.3097 7.3097 7.4433 7.4433 7.7638 7.7638 7.8111 7.8111 8.3710 8.3710 8.7070 8.7070 9.3206 9.3206 9.9376 9.9376 9.9696 9.9696 10.7125 10.7125 10.8793 10.8793 11.0376 11.0376 11.4473 11.4473 k =-0.5000 0.1684 0.3823 ( 3230 PWs) bands (ev): 0.8240 0.8240 1.4277 1.4277 2.9312 2.9312 3.0681 3.0681 3.7689 3.7689 5.7260 5.7260 7.2620 7.2620 7.2856 7.2856 7.3111 7.3111 7.4278 7.4278 7.7262 7.7262 7.8140 7.8140 8.3692 8.3692 8.7253 8.7253 9.2883 9.2883 9.8708 9.8708 9.9871 9.9871 10.6843 10.6843 10.9262 10.9262 11.0733 11.0733 11.4253 11.4253 k =-0.5000 0.1684 0.3649 ( 3226 PWs) bands (ev): 0.7718 0.7718 1.3833 1.3833 2.9968 2.9968 3.1166 3.1166 3.7322 3.7322 5.7955 5.7955 7.2627 7.2627 7.2895 7.2895 7.3120 7.3120 7.4116 7.4116 7.6880 7.6880 7.8207 7.8207 8.3648 8.3648 8.7423 8.7423 9.2557 9.2557 9.8017 9.8017 10.0085 10.0085 10.6539 10.6539 10.9758 10.9758 11.1098 11.1098 11.4069 11.4069 k =-0.5000 0.1684 0.3475 ( 3210 PWs) bands (ev): 0.7216 0.7216 1.3404 1.3404 3.0587 3.0587 3.1638 3.1638 3.7003 3.7003 5.8634 5.8634 7.2628 7.2628 7.2941 7.2941 7.3123 7.3123 7.3960 7.3960 7.6502 7.6502 7.8295 7.8295 8.3580 8.3580 8.7582 8.7582 9.2230 9.2230 9.7332 9.7332 10.0310 10.0310 10.6221 10.6221 11.0261 11.0261 11.1467 11.1467 11.3938 11.3938 k =-0.5000 0.1684 0.3302 ( 3210 PWs) bands (ev): 0.6734 0.6734 1.2989 1.2989 3.1154 3.1154 3.2097 3.2097 3.6745 3.6745 5.9296 5.9296 7.2624 7.2624 7.2978 7.2978 7.3121 7.3121 7.3827 7.3827 7.6132 7.6132 7.8397 7.8397 8.3490 8.3490 8.7729 8.7729 9.1902 9.1902 9.6661 9.6661 10.0544 10.0544 10.5892 10.5892 11.0741 11.0741 11.1841 11.1841 11.3888 11.3888 k =-0.5000 0.1684 0.3128 ( 3218 PWs) bands (ev): 0.6273 0.6273 1.2590 1.2590 3.1651 3.1651 3.2541 3.2541 3.6565 3.6565 5.9939 5.9939 7.2611 7.2611 7.2983 7.2983 7.3117 7.3117 7.3738 7.3738 7.5775 7.5775 7.8508 7.8508 8.3379 8.3379 8.7864 8.7864 9.1573 9.1573 9.6007 9.6007 10.0787 10.0787 10.5559 10.5559 11.1150 11.1150 11.2215 11.2215 11.3965 11.3965 k =-0.5000 0.1684 0.2954 ( 3216 PWs) bands (ev): 0.5833 0.5833 1.2209 1.2209 3.2053 3.2053 3.2969 3.2969 3.6486 3.6486 6.0562 6.0562 7.2581 7.2581 7.2945 7.2945 7.3114 7.3114 7.3706 7.3706 7.5440 7.5440 7.8624 7.8624 8.3252 8.3252 8.7989 8.7989 9.1245 9.1245 9.5375 9.5375 10.1037 10.1037 10.5228 10.5228 11.1437 11.1437 11.2586 11.2586 11.4220 11.4220 k =-0.5000 0.1684 0.2780 ( 3214 PWs) bands (ev): 0.5415 0.5415 1.1844 1.1844 3.2340 3.2340 3.3380 3.3380 3.6526 3.6526 6.1165 6.1165 7.2520 7.2520 7.2881 7.2881 7.3109 7.3109 7.3715 7.3715 7.5139 7.5139 7.8742 7.8742 8.3111 8.3111 8.8103 8.8103 9.0919 9.0919 9.4770 9.4770 10.1287 10.1287 10.4906 10.4906 11.1583 11.1583 11.2953 11.2953 11.4669 11.4669 k =-0.5000 0.1684 0.2607 ( 3218 PWs) bands (ev): 0.5019 0.5019 1.1498 1.1498 3.2502 3.2502 3.3773 3.3773 3.6692 3.6692 6.1746 6.1746 7.2422 7.2422 7.2809 7.2809 7.3105 7.3105 7.3726 7.3726 7.4899 7.4899 7.8860 7.8860 8.2959 8.2959 8.8206 8.8206 9.0596 9.0596 9.4194 9.4194 10.1530 10.1530 10.4605 10.4605 11.1616 11.1616 11.3317 11.3317 11.5277 11.5277 k =-0.5000 0.1684 0.2433 ( 3214 PWs) bands (ev): 0.4646 0.4646 1.1172 1.1172 3.2554 3.2554 3.4147 3.4147 3.6968 3.6968 6.2305 6.2305 7.2296 7.2296 7.2720 7.2720 7.3110 7.3110 7.3695 7.3695 7.4756 7.4756 7.8976 7.8976 8.2798 8.2798 8.8299 8.8299 9.0278 9.0278 9.3652 9.3652 10.1753 10.1753 10.4341 10.4341 11.1582 11.1582 11.3677 11.3677 11.5995 11.5995 k =-0.5000 0.1684 0.2259 ( 3212 PWs) bands (ev): 0.4297 0.4297 1.0865 1.0865 3.2523 3.2523 3.4501 3.4501 3.7324 3.7324 6.2844 6.2844 7.2155 7.2155 7.2596 7.2596 7.3127 7.3127 7.3604 7.3604 7.4728 7.4728 7.9088 7.9088 8.2631 8.2631 8.8379 8.8379 8.9969 8.9969 9.3145 9.3145 10.1931 10.1931 10.4139 10.4139 11.1512 11.1512 11.4030 11.4030 11.6787 11.6787 k =-0.5000 0.1684 0.2085 ( 3212 PWs) bands (ev): 0.3972 0.3972 1.0578 1.0578 3.2438 3.2438 3.4833 3.4833 3.7729 3.7729 6.3361 6.3361 7.2008 7.2008 7.2423 7.2423 7.3152 7.3152 7.3481 7.3481 7.4789 7.4789 7.9194 7.9194 8.2462 8.2462 8.8445 8.8445 8.9674 8.9674 9.2677 9.2677 10.2033 10.2033 10.4032 10.4032 11.1425 11.1425 11.4374 11.4374 11.7630 11.7630 k =-0.5000 0.1684 0.1911 ( 3208 PWs) bands (ev): 0.3671 0.3671 1.0312 1.0312 3.2322 3.2322 3.5144 3.5144 3.8155 3.8155 6.3859 6.3859 7.1860 7.1860 7.2204 7.2204 7.3173 7.3173 7.3372 7.3372 7.4900 7.4900 7.9294 7.9294 8.2294 8.2294 8.8489 8.8489 8.9404 8.9404 9.2248 9.2248 10.2033 10.2033 10.4046 10.4046 11.1333 11.1333 11.4706 11.4706 11.8508 11.8508 k =-0.5000 0.1684 0.1738 ( 3206 PWs) bands (ev): 0.3396 0.3396 1.0067 1.0067 3.2191 3.2191 3.5431 3.5431 3.8584 3.8584 6.4338 6.4338 7.1703 7.1703 7.1957 7.1957 7.3150 7.3150 7.3327 7.3327 7.5037 7.5037 7.9386 7.9386 8.2129 8.2129 8.8495 8.8495 8.9178 8.9178 9.1858 9.1858 10.1938 10.1938 10.4171 10.4171 11.1241 11.1241 11.5024 11.5024 11.9409 11.9409 k =-0.5000 0.1684 0.1564 ( 3202 PWs) bands (ev): 0.3145 0.3145 0.9845 0.9845 3.2057 3.2057 3.5694 3.5694 3.9002 3.9002 6.4799 6.4799 7.1503 7.1503 7.1732 7.1732 7.3077 7.3077 7.3352 7.3352 7.5182 7.5182 7.9469 7.9469 8.1971 8.1971 8.8432 8.8432 8.9030 8.9030 9.1507 9.1507 10.1782 10.1782 10.4375 10.4375 11.1154 11.1154 11.5323 11.5323 12.0323 12.0323 k =-0.5000 0.1684 0.1390 ( 3206 PWs) bands (ev): 0.2919 0.2919 0.9644 0.9644 3.1927 3.1927 3.5932 3.5932 3.9397 3.9397 6.5244 6.5244 7.1226 7.1226 7.1574 7.1574 7.2995 7.2995 7.3398 7.3398 7.5329 7.5329 7.9542 7.9542 8.1822 8.1822 8.8292 8.8292 8.8973 8.8973 9.1194 9.1194 10.1598 10.1598 10.4619 10.4619 11.1073 11.1073 11.5603 11.5603 12.1238 12.1239 k =-0.5000 0.1684 0.1216 ( 3214 PWs) bands (ev): 0.2720 0.2720 0.9467 0.9467 3.1805 3.1805 3.6145 3.6145 3.9763 3.9763 6.5675 6.5675 7.0906 7.0906 7.1457 7.1457 7.2915 7.2915 7.3449 7.3449 7.5469 7.5469 7.9605 7.9605 8.1684 8.1684 8.8115 8.8115 8.8971 8.8971 9.0919 9.0919 10.1409 10.1409 10.4878 10.4878 11.0999 11.0999 11.5859 11.5859 12.2141 12.2141 k =-0.5000 0.1684 0.1043 ( 3210 PWs) bands (ev): 0.2546 0.2546 0.9312 0.9312 3.1695 3.1695 3.6330 3.6330 4.0093 4.0093 6.6093 6.6093 7.0568 7.0568 7.1362 7.1362 7.2843 7.2843 7.3500 7.3500 7.5599 7.5599 7.9659 7.9659 8.1562 8.1562 8.7936 8.7936 8.8991 8.8991 9.0680 9.0680 10.1229 10.1229 10.5134 10.5134 11.0935 11.0935 11.6088 11.6088 12.3016 12.3016 k =-0.5000 0.1684 0.0869 ( 3214 PWs) bands (ev): 0.2399 0.2399 0.9180 0.9180 3.1599 3.1599 3.6488 3.6488 4.0381 4.0381 6.6500 6.6500 7.0221 7.0221 7.1283 7.1283 7.2777 7.2777 7.3547 7.3547 7.5716 7.5716 7.9701 7.9701 8.1456 8.1456 8.7774 8.7774 8.9018 8.9018 9.0476 9.0476 10.1067 10.1067 10.5374 10.5374 11.0880 11.0880 11.6288 11.6288 12.3841 12.3841 k =-0.5000 0.1684 0.0695 ( 3220 PWs) bands (ev): 0.2278 0.2278 0.9072 0.9072 3.1519 3.1519 3.6619 3.6619 4.0622 4.0622 6.6898 6.6898 6.9869 6.9869 7.1219 7.1219 7.2720 7.2720 7.3588 7.3588 7.5815 7.5815 7.9734 7.9734 8.1368 8.1368 8.7635 8.7635 8.9046 8.9046 9.0308 9.0308 10.0928 10.0928 10.5585 10.5585 11.0834 11.0834 11.6456 11.6456 12.4591 12.4591 k =-0.5000 0.1684 0.0521 ( 3218 PWs) bands (ev): 0.2184 0.2184 0.8988 0.8988 3.1455 3.1455 3.6720 3.6720 4.0813 4.0813 6.7287 6.7287 6.9512 6.9512 7.1169 7.1169 7.2673 7.2673 7.3623 7.3623 7.5894 7.5894 7.9758 7.9758 8.1299 8.1299 8.7525 8.7525 8.9072 8.9072 9.0174 9.0174 10.0817 10.0817 10.5760 10.5760 11.0799 11.0799 11.6589 11.6589 12.5232 12.5232 k =-0.5000 0.1684 0.0348 ( 3214 PWs) bands (ev): 0.2117 0.2117 0.8928 0.8928 3.1410 3.1410 3.6793 3.6793 4.0952 4.0952 6.7668 6.7668 6.9153 6.9153 7.1134 7.1134 7.2639 7.2639 7.3649 7.3649 7.5953 7.5953 7.9774 7.9774 8.1250 8.1250 8.7445 8.7445 8.9093 8.9093 9.0078 9.0078 10.0736 10.0736 10.5891 10.5891 11.0774 11.0774 11.6686 11.6686 12.5727 12.5728 k =-0.5000 0.1684 0.0174 ( 3218 PWs) bands (ev): 0.2077 0.2077 0.8892 0.8892 3.1382 3.1382 3.6837 3.6837 4.1037 4.1037 6.8043 6.8043 6.8791 6.8791 7.1112 7.1112 7.2618 7.2618 7.3665 7.3665 7.5988 7.5988 7.9783 7.9783 8.1221 8.1221 8.7396 8.7396 8.9107 8.9107 9.0017 9.0017 10.0687 10.0687 10.5972 10.5972 11.0758 11.0758 11.6745 11.6745 12.6041 12.6041 k =-0.5000 0.1684-0.0000 ( 3230 PWs) bands (ev): 0.2063 0.2063 0.8880 0.8880 3.1373 3.1373 3.6851 3.6851 4.1065 4.1065 6.8364 6.8364 6.8473 6.8473 7.1105 7.1105 7.2610 7.2610 7.3670 7.3670 7.6000 7.6000 7.9786 7.9786 8.1211 8.1211 8.7379 8.7379 8.9112 8.9112 8.9996 8.9996 10.0670 10.0670 10.5999 10.5999 11.0753 11.0753 11.6764 11.6764 12.6149 12.6149 k = 0.0000 0.0000 0.6429 ( 3222 PWs) bands (ev): 1.0561 1.0561 1.0561 1.0561 2.7951 2.7951 2.7951 2.7951 5.3149 5.3149 5.3149 5.3149 7.3206 7.3206 7.3206 7.3206 7.5596 7.5596 7.5596 7.5596 8.0961 8.0961 8.0961 8.0961 8.1898 8.1898 8.1898 8.1898 9.2248 9.2248 9.2248 9.2248 9.7788 9.7788 9.7788 9.7788 11.0132 11.0132 11.0132 11.0132 12.6864 12.6864 k =-0.0167 0.0056 0.6429 ( 3224 PWs) bands (ev): 1.0573 1.0573 1.0573 1.0573 2.7944 2.7944 2.7944 2.7944 5.3128 5.3128 5.3128 5.3128 7.3204 7.3204 7.3204 7.3204 7.5591 7.5591 7.5591 7.5591 8.0965 8.0965 8.0965 8.0965 8.1898 8.1898 8.1898 8.1898 9.2259 9.2259 9.2259 9.2259 9.7808 9.7808 9.7808 9.7808 11.0132 11.0132 11.0132 11.0132 12.6833 12.6833 k =-0.0333 0.0112 0.6429 ( 3220 PWs) bands (ev): 1.0610 1.0610 1.0610 1.0610 2.7923 2.7923 2.7923 2.7923 5.3065 5.3065 5.3065 5.3065 7.3198 7.3198 7.3198 7.3198 7.5577 7.5577 7.5577 7.5577 8.0978 8.0978 8.0978 8.0978 8.1898 8.1898 8.1898 8.1898 9.2293 9.2293 9.2293 9.2293 9.7867 9.7867 9.7867 9.7867 11.0132 11.0132 11.0132 11.0132 12.6743 12.6743 k =-0.0500 0.0168 0.6429 ( 3228 PWs) bands (ev): 1.0671 1.0671 1.0671 1.0671 2.7888 2.7888 2.7888 2.7888 5.2962 5.2962 5.2962 5.2962 7.3188 7.3188 7.3188 7.3188 7.5552 7.5552 7.5552 7.5552 8.0999 8.0999 8.0999 8.0999 8.1897 8.1897 8.1897 8.1897 9.2349 9.2349 9.2349 9.2349 9.7965 9.7965 9.7965 9.7965 11.0130 11.0130 11.0130 11.0130 12.6596 12.6596 k =-0.0667 0.0225 0.6429 ( 3224 PWs) bands (ev): 1.0756 1.0756 1.0756 1.0756 2.7839 2.7839 2.7839 2.7839 5.2820 5.2820 5.2820 5.2820 7.3175 7.3175 7.3175 7.3175 7.5518 7.5518 7.5518 7.5518 8.1026 8.1026 8.1026 8.1026 8.1899 8.1899 8.1899 8.1899 9.2426 9.2426 9.2426 9.2426 9.8100 9.8100 9.8100 9.8100 11.0128 11.0128 11.0128 11.0128 12.6396 12.6396 k =-0.0833 0.0281 0.6429 ( 3228 PWs) bands (ev): 1.0866 1.0866 1.0866 1.0866 2.7776 2.7776 2.7776 2.7776 5.2640 5.2640 5.2640 5.2640 7.3158 7.3158 7.3158 7.3158 7.5476 7.5476 7.5476 7.5476 8.1058 8.1058 8.1058 8.1058 8.1903 8.1903 8.1903 8.1903 9.2525 9.2525 9.2525 9.2525 9.8272 9.8272 9.8272 9.8272 11.0122 11.0122 11.0122 11.0122 12.6150 12.6150 k =-0.1000 0.0337 0.6429 ( 3222 PWs) bands (ev): 1.0999 1.0999 1.0999 1.0999 2.7699 2.7699 2.7699 2.7699 5.2426 5.2426 5.2426 5.2426 7.3138 7.3138 7.3138 7.3138 7.5425 7.5425 7.5425 7.5425 8.1091 8.1091 8.1091 8.1091 8.1912 8.1912 8.1912 8.1912 9.2644 9.2644 9.2644 9.2644 9.8480 9.8480 9.8480 9.8480 11.0113 11.0113 11.0113 11.0113 12.5864 12.5864 k =-0.1167 0.0393 0.6429 ( 3216 PWs) bands (ev): 1.1156 1.1156 1.1156 1.1156 2.7607 2.7607 2.7607 2.7607 5.2181 5.2181 5.2181 5.2181 7.3115 7.3115 7.3115 7.3115 7.5366 7.5366 7.5366 7.5366 8.1123 8.1123 8.1123 8.1123 8.1929 8.1929 8.1929 8.1929 9.2783 9.2783 9.2783 9.2783 9.8721 9.8721 9.8721 9.8721 11.0097 11.0097 11.0097 11.0097 12.5547 12.5547 k =-0.1333 0.0449 0.6429 ( 3202 PWs) bands (ev): 1.1335 1.1335 1.1335 1.1335 2.7500 2.7500 2.7500 2.7500 5.1907 5.1907 5.1907 5.1907 7.3090 7.3090 7.3090 7.3090 7.5301 7.5301 7.5301 7.5301 8.1152 8.1152 8.1152 8.1152 8.1955 8.1955 8.1955 8.1955 9.2941 9.2941 9.2941 9.2941 9.8993 9.8993 9.8993 9.8993 11.0074 11.0074 11.0074 11.0074 12.5207 12.5207 k =-0.1500 0.0505 0.6429 ( 3206 PWs) bands (ev): 1.1537 1.1537 1.1537 1.1537 2.7378 2.7378 2.7378 2.7378 5.1608 5.1608 5.1608 5.1608 7.3063 7.3063 7.3063 7.3063 7.5230 7.5230 7.5230 7.5230 8.1175 8.1175 8.1175 8.1175 8.1991 8.1991 8.1991 8.1991 9.3116 9.3116 9.3116 9.3116 9.9295 9.9295 9.9295 9.9295 11.0040 11.0040 11.0040 11.0040 12.4852 12.4852 k =-0.1667 0.0561 0.6429 ( 3212 PWs) bands (ev): 1.1760 1.1760 1.1760 1.1760 2.7241 2.7241 2.7241 2.7241 5.1289 5.1289 5.1289 5.1289 7.3034 7.3034 7.3034 7.3034 7.5153 7.5153 7.5153 7.5153 8.1189 8.1189 8.1189 8.1189 8.2038 8.2038 8.2038 8.2038 9.3306 9.3306 9.3306 9.3306 9.9624 9.9624 9.9624 9.9624 10.9995 10.9995 10.9995 10.9995 12.4490 12.4490 k =-0.1833 0.0618 0.6429 ( 3212 PWs) bands (ev): 1.2004 1.2004 1.2004 1.2004 2.7088 2.7088 2.7088 2.7088 5.0954 5.0954 5.0954 5.0954 7.3005 7.3005 7.3005 7.3005 7.5071 7.5071 7.5071 7.5071 8.1197 8.1197 8.1197 8.1197 8.2096 8.2096 8.2096 8.2096 9.3510 9.3510 9.3510 9.3510 9.9979 9.9979 9.9979 9.9979 10.9936 10.9936 10.9936 10.9936 12.4130 12.4130 k =-0.2000 0.0674 0.6429 ( 3208 PWs) bands (ev): 1.2268 1.2268 1.2268 1.2268 2.6920 2.6920 2.6920 2.6920 5.0605 5.0605 5.0605 5.0605 7.2974 7.2974 7.2974 7.2974 7.4987 7.4987 7.4987 7.4987 8.1197 8.1197 8.1197 8.1197 8.2163 8.2163 8.2163 8.2163 9.3728 9.3728 9.3728 9.3728 10.0355 10.0355 10.0355 10.0355 10.9862 10.9862 10.9862 10.9862 12.3778 12.3779 k =-0.2167 0.0730 0.6429 ( 3208 PWs) bands (ev): 1.2550 1.2550 1.2550 1.2550 2.6735 2.6735 2.6735 2.6735 5.0249 5.0249 5.0249 5.0249 7.2944 7.2944 7.2944 7.2944 7.4900 7.4900 7.4900 7.4900 8.1192 8.1192 8.1192 8.1192 8.2237 8.2237 8.2237 8.2237 9.3955 9.3955 9.3955 9.3955 10.0751 10.0751 10.0751 10.0751 10.9771 10.9771 10.9771 10.9771 12.3441 12.3441 k =-0.2333 0.0786 0.6429 ( 3212 PWs) bands (ev): 1.2851 1.2851 1.2851 1.2851 2.6535 2.6535 2.6535 2.6535 4.9888 4.9888 4.9888 4.9888 7.2913 7.2913 7.2913 7.2913 7.4812 7.4812 7.4812 7.4812 8.1183 8.1183 8.1183 8.1183 8.2316 8.2316 8.2316 8.2316 9.4191 9.4191 9.4191 9.4191 10.1164 10.1164 10.1164 10.1164 10.9663 10.9663 10.9663 10.9663 12.3123 12.3123 k =-0.2500 0.0842 0.6429 ( 3204 PWs) bands (ev): 1.3169 1.3169 1.3169 1.3169 2.6319 2.6319 2.6319 2.6319 4.9527 4.9527 4.9527 4.9527 7.2883 7.2883 7.2883 7.2883 7.4725 7.4725 7.4725 7.4725 8.1170 8.1170 8.1170 8.1170 8.2399 8.2399 8.2399 8.2399 9.4434 9.4434 9.4434 9.4434 10.1591 10.1591 10.1591 10.1591 10.9537 10.9537 10.9537 10.9537 12.2827 12.2827 k =-0.2667 0.0898 0.6429 ( 3196 PWs) bands (ev): 1.3501 1.3501 1.3501 1.3501 2.6087 2.6087 2.6087 2.6087 4.9170 4.9170 4.9170 4.9170 7.2853 7.2853 7.2853 7.2853 7.4638 7.4638 7.4638 7.4638 8.1155 8.1155 8.1155 8.1155 8.2483 8.2483 8.2483 8.2483 9.4681 9.4681 9.4681 9.4681 10.2029 10.2029 10.2029 10.2029 10.9395 10.9395 10.9395 10.9395 12.2557 12.2557 k =-0.2833 0.0954 0.6429 ( 3198 PWs) bands (ev): 1.3847 1.3847 1.3847 1.3847 2.5840 2.5840 2.5840 2.5840 4.8820 4.8820 4.8820 4.8820 7.2825 7.2825 7.2825 7.2825 7.4553 7.4553 7.4553 7.4553 8.1140 8.1140 8.1140 8.1140 8.2567 8.2567 8.2567 8.2567 9.4930 9.4930 9.4930 9.4930 10.2474 10.2474 10.2474 10.2474 10.9238 10.9238 10.9238 10.9238 12.2312 12.2312 k =-0.3000 0.1010 0.6429 ( 3202 PWs) bands (ev): 1.4205 1.4205 1.4205 1.4205 2.5578 2.5578 2.5578 2.5578 4.8482 4.8482 4.8482 4.8482 7.2797 7.2797 7.2797 7.2797 7.4470 7.4470 7.4470 7.4470 8.1123 8.1123 8.1123 8.1123 8.2649 8.2649 8.2649 8.2649 9.5178 9.5178 9.5178 9.5178 10.2923 10.2923 10.2923 10.2923 10.9067 10.9067 10.9067 10.9067 12.2091 12.2092 k =-0.3167 0.1067 0.6429 ( 3206 PWs) bands (ev): 1.4572 1.4572 1.4572 1.4572 2.5304 2.5304 2.5304 2.5304 4.8158 4.8158 4.8158 4.8158 7.2770 7.2770 7.2770 7.2770 7.4390 7.4390 7.4390 7.4390 8.1107 8.1107 8.1107 8.1107 8.2729 8.2729 8.2729 8.2729 9.5422 9.5422 9.5422 9.5422 10.3372 10.3372 10.3372 10.3372 10.8886 10.8886 10.8886 10.8886 12.1888 12.1888 k =-0.3333 0.1123 0.6429 ( 3206 PWs) bands (ev): 1.4945 1.4945 1.4945 1.4945 2.5018 2.5018 2.5018 2.5018 4.7852 4.7852 4.7852 4.7852 7.2746 7.2746 7.2746 7.2746 7.4315 7.4315 7.4315 7.4315 8.1092 8.1092 8.1092 8.1092 8.2805 8.2805 8.2805 8.2805 9.5660 9.5660 9.5660 9.5660 10.3815 10.3815 10.3815 10.3815 10.8700 10.8700 10.8700 10.8700 12.1684 12.1684 k =-0.3500 0.1179 0.6429 ( 3206 PWs) bands (ev): 1.5322 1.5322 1.5322 1.5322 2.4723 2.4723 2.4723 2.4723 4.7567 4.7567 4.7567 4.7567 7.2723 7.2723 7.2723 7.2723 7.4245 7.4245 7.4245 7.4245 8.1077 8.1077 8.1077 8.1077 8.2877 8.2877 8.2877 8.2877 9.5890 9.5890 9.5890 9.5890 10.4248 10.4248 10.4248 10.4248 10.8511 10.8511 10.8511 10.8511 12.1434 12.1434 k =-0.3667 0.1235 0.6429 ( 3218 PWs) bands (ev): 1.5698 1.5698 1.5698 1.5698 2.4422 2.4422 2.4422 2.4422 4.7305 4.7305 4.7305 4.7305 7.2701 7.2701 7.2701 7.2701 7.4180 7.4180 7.4180 7.4180 8.1063 8.1063 8.1063 8.1063 8.2943 8.2943 8.2943 8.2943 9.6107 9.6107 9.6107 9.6107 10.4664 10.4664 10.4664 10.4664 10.8326 10.8326 10.8326 10.8326 12.1113 12.1113 k =-0.3833 0.1291 0.6429 ( 3216 PWs) bands (ev): 1.6069 1.6069 1.6069 1.6069 2.4119 2.4119 2.4119 2.4119 4.7068 4.7068 4.7068 4.7068 7.2682 7.2682 7.2682 7.2682 7.4122 7.4122 7.4122 7.4122 8.1051 8.1051 8.1051 8.1051 8.3003 8.3003 8.3003 8.3003 9.6310 9.6310 9.6310 9.6310 10.5057 10.5057 10.5057 10.5057 10.8148 10.8148 10.8148 10.8148 12.0761 12.0761 k =-0.4000 0.1347 0.6429 ( 3212 PWs) bands (ev): 1.6428 1.6428 1.6428 1.6428 2.3820 2.3820 2.3820 2.3820 4.6859 4.6859 4.6859 4.6859 7.2666 7.2666 7.2666 7.2666 7.4070 7.4070 7.4070 7.4070 8.1039 8.1039 8.1039 8.1039 8.3058 8.3058 8.3058 8.3058 9.6494 9.6494 9.6494 9.6494 10.5420 10.5420 10.5420 10.5420 10.7984 10.7984 10.7984 10.7984 12.0416 12.0416 k =-0.4167 0.1403 0.6429 ( 3208 PWs) bands (ev): 1.6767 1.6767 1.6767 1.6767 2.3532 2.3532 2.3532 2.3532 4.6680 4.6680 4.6680 4.6680 7.2651 7.2651 7.2651 7.2651 7.4026 7.4026 7.4026 7.4026 8.1030 8.1030 8.1030 8.1030 8.3104 8.3104 8.3104 8.3104 9.6657 9.6657 9.6657 9.6657 10.5744 10.5744 10.5744 10.5744 10.7840 10.7840 10.7840 10.7840 12.0098 12.0098 k =-0.4333 0.1460 0.6429 ( 3204 PWs) bands (ev): 1.7076 1.7076 1.7076 1.7076 2.3266 2.3266 2.3266 2.3266 4.6531 4.6531 4.6531 4.6531 7.2640 7.2640 7.2640 7.2640 7.3989 7.3989 7.3989 7.3989 8.1023 8.1023 8.1023 8.1023 8.3143 8.3143 8.3143 8.3143 9.6795 9.6795 9.6795 9.6795 10.6019 10.6019 10.6019 10.6019 10.7720 10.7720 10.7720 10.7720 11.9819 11.9819 k =-0.4500 0.1516 0.6429 ( 3204 PWs) bands (ev): 1.7342 1.7342 1.7342 1.7342 2.3033 2.3033 2.3033 2.3033 4.6414 4.6414 4.6414 4.6414 7.2630 7.2630 7.2630 7.2630 7.3960 7.3960 7.3960 7.3960 8.1017 8.1017 8.1017 8.1017 8.3173 8.3173 8.3173 8.3173 9.6906 9.6906 9.6906 9.6906 10.6237 10.6237 10.6237 10.6237 10.7628 10.7628 10.7628 10.7628 11.9590 11.9590 k =-0.4667 0.1572 0.6429 ( 3204 PWs) bands (ev): 1.7550 1.7550 1.7550 1.7550 2.2849 2.2849 2.2849 2.2849 4.6330 4.6330 4.6330 4.6330 7.2624 7.2624 7.2624 7.2624 7.3939 7.3939 7.3939 7.3939 8.1012 8.1012 8.1012 8.1012 8.3195 8.3195 8.3195 8.3195 9.6987 9.6987 9.6987 9.6987 10.6393 10.6393 10.6393 10.6393 10.7567 10.7567 10.7567 10.7567 11.9419 11.9419 k =-0.4833 0.1628 0.6429 ( 3204 PWs) bands (ev): 1.7683 1.7683 1.7683 1.7683 2.2730 2.2730 2.2730 2.2730 4.6279 4.6279 4.6279 4.6279 7.2620 7.2620 7.2620 7.2620 7.3927 7.3927 7.3927 7.3927 8.1010 8.1010 8.1010 8.1010 8.3208 8.3208 8.3208 8.3208 9.7036 9.7036 9.7036 9.7036 10.6484 10.6484 10.6484 10.6484 10.7535 10.7535 10.7535 10.7535 11.9314 11.9314 k =-0.5000 0.1684 0.6429 ( 3204 PWs) bands (ev): 1.7730 1.7730 1.7730 1.7730 2.2689 2.2689 2.2689 2.2689 4.6262 4.6262 4.6262 4.6262 7.2618 7.2618 7.2618 7.2618 7.3923 7.3923 7.3923 7.3923 8.1009 8.1009 8.1009 8.1009 8.3213 8.3213 8.3213 8.3213 9.7053 9.7053 9.7053 9.7053 10.6514 10.6514 10.6514 10.6514 10.7525 10.7525 10.7525 10.7525 11.9278 11.9278 Writing output data file ZrNiH3.save init_run : 0.31s CPU 0.42s WALL ( 1 calls) electrons : 245.48s CPU 249.03s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 245.48s CPU 249.02s 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 : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 432 calls) cegterg : 224.71s CPU 227.66s WALL ( 1088 calls) Called by sum_band: Called by *egterg: h_psi : 134.01s CPU 136.15s WALL ( 18998 calls) s_psi : 4.94s CPU 4.97s WALL ( 18998 calls) g_psi : 0.26s CPU 0.25s WALL ( 17478 calls) cdiaghg : 85.79s CPU 86.78s WALL ( 17910 calls) cegterg:over : 6.17s CPU 6.28s WALL ( 17478 calls) cegterg:upda : 5.07s CPU 5.13s WALL ( 17478 calls) cegterg:last : 2.77s CPU 2.83s WALL ( 2386 calls) cdiaghg:chol : 4.42s CPU 4.56s WALL ( 17910 calls) cdiaghg:inve : 2.75s CPU 2.54s WALL ( 17910 calls) cdiaghg:para : 4.76s CPU 4.93s WALL ( 35820 calls) Called by h_psi: h_psi:vloc : 121.72s CPU 123.81s WALL ( 18998 calls) h_psi:vnl : 12.01s CPU 12.07s WALL ( 18998 calls) add_vuspsi : 5.86s CPU 5.86s WALL ( 18998 calls) General routines calbec : 6.11s CPU 6.17s WALL ( 18998 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 113.88s CPU 116.06s WALL ( 1209768 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.23s WALL ( 864 calls) Parallel routines fft_scatter : 33.53s CPU 34.46s WALL ( 1209791 calls) PWSCF : 4m20.72s CPU 4m39.85s WALL This run was terminated on: 19:21:53 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=