Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:55:50 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NiSb2.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 42 29 8 1684 962 156 Max 43 30 9 1689 990 163 Sum 1367 957 283 53961 31173 5085 bravais-lattice index = 14 lattice parameter (alat) = 7.2565 a.u. unit-cell volume = 848.3490 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.256548 celldm(2)= 1.348958 celldm(3)= 1.645833 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.348958 0.000000 ) a(3) = ( 0.000000 0.000000 1.645833 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.741313 -0.000000 ) b(3) = ( 0.000000 0.000000 0.607595 ) PseudoPot. # 1 for Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /home/autes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sb 5.00 121.76000 Sb( 1.00) Ni 10.00 58.69340 Ni( 1.00) 4 Sym. Ops. (no 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 3) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.6744792 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8229167 ) isym = 4 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.6744792 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8229167 ) double point group C_2v (mm2) there are 5 classes and 1 irreducible representations the character table: E -E C2 s_v s_v' -C2 -s_v -s_v' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 s_v -s_v 3 -3 s_v'-s_v' 4 -4 -E -1 Cartesian axes number of k points= 400 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0121951 -0.0000000 -0.0000000), wk = 0.0025000 k( 3) = ( 0.0243902 -0.0000000 -0.0000000), wk = 0.0025000 k( 4) = ( 0.0365854 -0.0000000 -0.0000000), wk = 0.0025000 k( 5) = ( 0.0487805 -0.0000000 -0.0000000), wk = 0.0025000 k( 6) = ( 0.0609756 -0.0000000 -0.0000000), wk = 0.0025000 k( 7) = ( 0.0731707 -0.0000000 -0.0000000), wk = 0.0025000 k( 8) = ( 0.0853658 -0.0000000 -0.0000000), wk = 0.0025000 k( 9) = ( 0.0975610 -0.0000000 -0.0000000), wk = 0.0025000 k( 10) = ( 0.1097561 -0.0000000 -0.0000000), wk = 0.0025000 k( 11) = ( 0.1219512 -0.0000000 -0.0000000), wk = 0.0025000 k( 12) = ( 0.1341463 -0.0000000 -0.0000000), wk = 0.0025000 k( 13) = ( 0.1463415 -0.0000000 -0.0000000), wk = 0.0025000 k( 14) = ( 0.1585366 -0.0000000 -0.0000000), wk = 0.0025000 k( 15) = ( 0.1707317 -0.0000000 -0.0000000), wk = 0.0025000 k( 16) = ( 0.1829268 -0.0000000 -0.0000000), wk = 0.0025000 k( 17) = ( 0.1951219 -0.0000000 -0.0000000), wk = 0.0025000 k( 18) = ( 0.2073171 -0.0000000 -0.0000000), wk = 0.0025000 k( 19) = ( 0.2195122 -0.0000000 -0.0000000), wk = 0.0025000 k( 20) = ( 0.2317073 -0.0000000 -0.0000000), wk = 0.0025000 k( 21) = ( 0.2439024 -0.0000000 -0.0000000), wk = 0.0025000 k( 22) = ( 0.2560976 -0.0000000 -0.0000000), wk = 0.0025000 k( 23) = ( 0.2682927 -0.0000000 -0.0000000), wk = 0.0025000 k( 24) = ( 0.2804878 -0.0000000 -0.0000000), wk = 0.0025000 k( 25) = ( 0.2926829 -0.0000000 -0.0000000), wk = 0.0025000 k( 26) = ( 0.3048781 -0.0000000 -0.0000000), wk = 0.0025000 k( 27) = ( 0.3170732 -0.0000000 -0.0000000), wk = 0.0025000 k( 28) = ( 0.3292683 -0.0000000 -0.0000000), wk = 0.0025000 k( 29) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0025000 k( 30) = ( 0.3536585 -0.0000000 -0.0000000), wk = 0.0025000 k( 31) = ( 0.3658537 -0.0000000 -0.0000000), wk = 0.0025000 k( 32) = ( 0.3780488 -0.0000000 -0.0000000), wk = 0.0025000 k( 33) = ( 0.3902439 -0.0000000 -0.0000000), wk = 0.0025000 k( 34) = ( 0.4024390 -0.0000000 -0.0000000), wk = 0.0025000 k( 35) = ( 0.4146341 -0.0000000 -0.0000000), wk = 0.0025000 k( 36) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0025000 k( 37) = ( 0.4390244 -0.0000000 -0.0000000), wk = 0.0025000 k( 38) = ( 0.4512195 -0.0000000 -0.0000000), wk = 0.0025000 k( 39) = ( 0.4634146 -0.0000000 -0.0000000), wk = 0.0025000 k( 40) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0025000 k( 41) = ( 0.4878049 -0.0000000 -0.0000000), wk = 0.0025000 k( 42) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025000 k( 43) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025000 k( 44) = ( 0.5000000 0.0119567 -0.0000000), wk = 0.0025000 k( 45) = ( 0.5000000 0.0239133 -0.0000000), wk = 0.0025000 k( 46) = ( 0.5000000 0.0358700 -0.0000000), wk = 0.0025000 k( 47) = ( 0.5000000 0.0478266 -0.0000000), wk = 0.0025000 k( 48) = ( 0.5000000 0.0597833 -0.0000000), wk = 0.0025000 k( 49) = ( 0.5000000 0.0717399 -0.0000000), wk = 0.0025000 k( 50) = ( 0.5000000 0.0836966 -0.0000000), wk = 0.0025000 k( 51) = ( 0.5000000 0.0956533 -0.0000000), wk = 0.0025000 k( 52) = ( 0.5000000 0.1076099 -0.0000000), wk = 0.0025000 k( 53) = ( 0.5000000 0.1195666 -0.0000000), wk = 0.0025000 k( 54) = ( 0.5000000 0.1315232 -0.0000000), wk = 0.0025000 k( 55) = ( 0.5000000 0.1434799 -0.0000000), wk = 0.0025000 k( 56) = ( 0.5000000 0.1554365 -0.0000000), wk = 0.0025000 k( 57) = ( 0.5000000 0.1673932 -0.0000000), wk = 0.0025000 k( 58) = ( 0.5000000 0.1793499 -0.0000000), wk = 0.0025000 k( 59) = ( 0.5000000 0.1913065 -0.0000000), wk = 0.0025000 k( 60) = ( 0.5000000 0.2032632 -0.0000000), wk = 0.0025000 k( 61) = ( 0.5000000 0.2152198 -0.0000000), wk = 0.0025000 k( 62) = ( 0.5000000 0.2271765 -0.0000000), wk = 0.0025000 k( 63) = ( 0.5000000 0.2391331 -0.0000000), wk = 0.0025000 k( 64) = ( 0.5000000 0.2510898 -0.0000000), wk = 0.0025000 k( 65) = ( 0.5000000 0.2630465 -0.0000000), wk = 0.0025000 k( 66) = ( 0.5000000 0.2750031 -0.0000000), wk = 0.0025000 k( 67) = ( 0.5000000 0.2869598 -0.0000000), wk = 0.0025000 k( 68) = ( 0.5000000 0.2989164 -0.0000000), wk = 0.0025000 k( 69) = ( 0.5000000 0.3108731 -0.0000000), wk = 0.0025000 k( 70) = ( 0.5000000 0.3228297 -0.0000000), wk = 0.0025000 k( 71) = ( 0.5000000 0.3347864 -0.0000000), wk = 0.0025000 k( 72) = ( 0.5000000 0.3467431 -0.0000000), wk = 0.0025000 k( 73) = ( 0.5000000 0.3586997 -0.0000000), wk = 0.0025000 k( 74) = ( 0.5000000 0.3706564 -0.0000000), wk = 0.0025000 k( 75) = ( 0.5000000 0.3706564 -0.0000000), wk = 0.0025000 k( 76) = ( 0.4878049 0.3706564 -0.0000000), wk = 0.0025000 k( 77) = ( 0.4756098 0.3706564 -0.0000000), wk = 0.0025000 k( 78) = ( 0.4634146 0.3706564 -0.0000000), wk = 0.0025000 k( 79) = ( 0.4512195 0.3706564 -0.0000000), wk = 0.0025000 k( 80) = ( 0.4390244 0.3706564 -0.0000000), wk = 0.0025000 k( 81) = ( 0.4268293 0.3706564 -0.0000000), wk = 0.0025000 k( 82) = ( 0.4146341 0.3706564 -0.0000000), wk = 0.0025000 k( 83) = ( 0.4024390 0.3706564 -0.0000000), wk = 0.0025000 k( 84) = ( 0.3902439 0.3706564 -0.0000000), wk = 0.0025000 k( 85) = ( 0.3780488 0.3706564 -0.0000000), wk = 0.0025000 k( 86) = ( 0.3658537 0.3706564 -0.0000000), wk = 0.0025000 k( 87) = ( 0.3536585 0.3706564 -0.0000000), wk = 0.0025000 k( 88) = ( 0.3414634 0.3706564 -0.0000000), wk = 0.0025000 k( 89) = ( 0.3292683 0.3706564 -0.0000000), wk = 0.0025000 k( 90) = ( 0.3170732 0.3706564 -0.0000000), wk = 0.0025000 k( 91) = ( 0.3048781 0.3706564 -0.0000000), wk = 0.0025000 k( 92) = ( 0.2926829 0.3706564 -0.0000000), wk = 0.0025000 k( 93) = ( 0.2804878 0.3706564 -0.0000000), wk = 0.0025000 k( 94) = ( 0.2682927 0.3706564 -0.0000000), wk = 0.0025000 k( 95) = ( 0.2560976 0.3706564 -0.0000000), wk = 0.0025000 k( 96) = ( 0.2439024 0.3706564 -0.0000000), wk = 0.0025000 k( 97) = ( 0.2317073 0.3706564 -0.0000000), wk = 0.0025000 k( 98) = ( 0.2195122 0.3706564 -0.0000000), wk = 0.0025000 k( 99) = ( 0.2073171 0.3706564 -0.0000000), wk = 0.0025000 k( 100) = ( 0.1951219 0.3706564 -0.0000000), wk = 0.0025000 k( 101) = ( 0.1829268 0.3706564 -0.0000000), wk = 0.0025000 k( 102) = ( 0.1707317 0.3706564 -0.0000000), wk = 0.0025000 k( 103) = ( 0.1585366 0.3706564 -0.0000000), wk = 0.0025000 k( 104) = ( 0.1463415 0.3706564 -0.0000000), wk = 0.0025000 k( 105) = ( 0.1341463 0.3706564 -0.0000000), wk = 0.0025000 k( 106) = ( 0.1219512 0.3706564 -0.0000000), wk = 0.0025000 k( 107) = ( 0.1097561 0.3706564 -0.0000000), wk = 0.0025000 k( 108) = ( 0.0975610 0.3706564 -0.0000000), wk = 0.0025000 k( 109) = ( 0.0853658 0.3706564 -0.0000000), wk = 0.0025000 k( 110) = ( 0.0731707 0.3706564 -0.0000000), wk = 0.0025000 k( 111) = ( 0.0609756 0.3706564 -0.0000000), wk = 0.0025000 k( 112) = ( 0.0487805 0.3706564 -0.0000000), wk = 0.0025000 k( 113) = ( 0.0365854 0.3706564 -0.0000000), wk = 0.0025000 k( 114) = ( 0.0243902 0.3706564 -0.0000000), wk = 0.0025000 k( 115) = ( 0.0121951 0.3706564 -0.0000000), wk = 0.0025000 k( 116) = ( 0.0000000 0.3706564 -0.0000000), wk = 0.0025000 k( 117) = ( 0.0000000 0.3706564 -0.0000000), wk = 0.0025000 k( 118) = ( 0.0000000 0.3586997 -0.0000000), wk = 0.0025000 k( 119) = ( 0.0000000 0.3467431 -0.0000000), wk = 0.0025000 k( 120) = ( 0.0000000 0.3347864 -0.0000000), wk = 0.0025000 k( 121) = ( 0.0000000 0.3228297 -0.0000000), wk = 0.0025000 k( 122) = ( 0.0000000 0.3108731 -0.0000000), wk = 0.0025000 k( 123) = ( 0.0000000 0.2989164 -0.0000000), wk = 0.0025000 k( 124) = ( 0.0000000 0.2869598 -0.0000000), wk = 0.0025000 k( 125) = ( 0.0000000 0.2750031 -0.0000000), wk = 0.0025000 k( 126) = ( 0.0000000 0.2630465 -0.0000000), wk = 0.0025000 k( 127) = ( 0.0000000 0.2510898 -0.0000000), wk = 0.0025000 k( 128) = ( 0.0000000 0.2391331 -0.0000000), wk = 0.0025000 k( 129) = ( 0.0000000 0.2271765 -0.0000000), wk = 0.0025000 k( 130) = ( 0.0000000 0.2152198 -0.0000000), wk = 0.0025000 k( 131) = ( 0.0000000 0.2032632 -0.0000000), wk = 0.0025000 k( 132) = ( 0.0000000 0.1913065 -0.0000000), wk = 0.0025000 k( 133) = ( 0.0000000 0.1793499 -0.0000000), wk = 0.0025000 k( 134) = ( 0.0000000 0.1673932 -0.0000000), wk = 0.0025000 k( 135) = ( 0.0000000 0.1554365 -0.0000000), wk = 0.0025000 k( 136) = ( 0.0000000 0.1434799 -0.0000000), wk = 0.0025000 k( 137) = ( 0.0000000 0.1315232 -0.0000000), wk = 0.0025000 k( 138) = ( 0.0000000 0.1195666 -0.0000000), wk = 0.0025000 k( 139) = ( 0.0000000 0.1076099 -0.0000000), wk = 0.0025000 k( 140) = ( 0.0000000 0.0956533 -0.0000000), wk = 0.0025000 k( 141) = ( 0.0000000 0.0836966 -0.0000000), wk = 0.0025000 k( 142) = ( 0.0000000 0.0717399 -0.0000000), wk = 0.0025000 k( 143) = ( 0.0000000 0.0597833 -0.0000000), wk = 0.0025000 k( 144) = ( 0.0000000 0.0478266 -0.0000000), wk = 0.0025000 k( 145) = ( 0.0000000 0.0358700 -0.0000000), wk = 0.0025000 k( 146) = ( 0.0000000 0.0239133 -0.0000000), wk = 0.0025000 k( 147) = ( 0.0000000 0.0119567 -0.0000000), wk = 0.0025000 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 150) = ( 0.0000000 0.0000000 0.0121519), wk = 0.0025000 k( 151) = ( 0.0000000 0.0000000 0.0243038), wk = 0.0025000 k( 152) = ( 0.0000000 0.0000000 0.0364557), wk = 0.0025000 k( 153) = ( 0.0000000 0.0000000 0.0486076), wk = 0.0025000 k( 154) = ( 0.0000000 0.0000000 0.0607595), wk = 0.0025000 k( 155) = ( 0.0000000 0.0000000 0.0729114), wk = 0.0025000 k( 156) = ( 0.0000000 0.0000000 0.0850633), wk = 0.0025000 k( 157) = ( 0.0000000 0.0000000 0.0972152), wk = 0.0025000 k( 158) = ( 0.0000000 0.0000000 0.1093671), wk = 0.0025000 k( 159) = ( 0.0000000 0.0000000 0.1215190), wk = 0.0025000 k( 160) = ( 0.0000000 0.0000000 0.1336709), wk = 0.0025000 k( 161) = ( 0.0000000 0.0000000 0.1458228), wk = 0.0025000 k( 162) = ( 0.0000000 0.0000000 0.1579747), wk = 0.0025000 k( 163) = ( 0.0000000 0.0000000 0.1701266), wk = 0.0025000 k( 164) = ( 0.0000000 0.0000000 0.1822785), wk = 0.0025000 k( 165) = ( 0.0000000 0.0000000 0.1944304), wk = 0.0025000 k( 166) = ( 0.0000000 0.0000000 0.2065823), wk = 0.0025000 k( 167) = ( 0.0000000 0.0000000 0.2187342), wk = 0.0025000 k( 168) = ( 0.0000000 0.0000000 0.2308861), wk = 0.0025000 k( 169) = ( 0.0000000 0.0000000 0.2430380), wk = 0.0025000 k( 170) = ( 0.0000000 0.0000000 0.2551899), wk = 0.0025000 k( 171) = ( 0.0000000 0.0000000 0.2673418), wk = 0.0025000 k( 172) = ( 0.0000000 0.0000000 0.2794937), wk = 0.0025000 k( 173) = ( 0.0000000 0.0000000 0.2916456), wk = 0.0025000 k( 174) = ( 0.0000000 0.0000000 0.3037975), wk = 0.0025000 k( 175) = ( 0.0000000 0.0000000 0.3037975), wk = 0.0025000 k( 176) = ( 0.0121951 -0.0000000 0.3037975), wk = 0.0025000 k( 177) = ( 0.0243902 -0.0000000 0.3037975), wk = 0.0025000 k( 178) = ( 0.0365854 -0.0000000 0.3037975), wk = 0.0025000 k( 179) = ( 0.0487805 -0.0000000 0.3037975), wk = 0.0025000 k( 180) = ( 0.0609756 -0.0000000 0.3037975), wk = 0.0025000 k( 181) = ( 0.0731707 -0.0000000 0.3037975), wk = 0.0025000 k( 182) = ( 0.0853658 -0.0000000 0.3037975), wk = 0.0025000 k( 183) = ( 0.0975610 -0.0000000 0.3037975), wk = 0.0025000 k( 184) = ( 0.1097561 -0.0000000 0.3037975), wk = 0.0025000 k( 185) = ( 0.1219512 -0.0000000 0.3037975), wk = 0.0025000 k( 186) = ( 0.1341463 -0.0000000 0.3037975), wk = 0.0025000 k( 187) = ( 0.1463415 -0.0000000 0.3037975), wk = 0.0025000 k( 188) = ( 0.1585366 -0.0000000 0.3037975), wk = 0.0025000 k( 189) = ( 0.1707317 -0.0000000 0.3037975), wk = 0.0025000 k( 190) = ( 0.1829268 -0.0000000 0.3037975), wk = 0.0025000 k( 191) = ( 0.1951219 -0.0000000 0.3037975), wk = 0.0025000 k( 192) = ( 0.2073171 -0.0000000 0.3037975), wk = 0.0025000 k( 193) = ( 0.2195122 -0.0000000 0.3037975), wk = 0.0025000 k( 194) = ( 0.2317073 -0.0000000 0.3037975), wk = 0.0025000 k( 195) = ( 0.2439024 -0.0000000 0.3037975), wk = 0.0025000 k( 196) = ( 0.2560976 -0.0000000 0.3037975), wk = 0.0025000 k( 197) = ( 0.2682927 -0.0000000 0.3037975), wk = 0.0025000 k( 198) = ( 0.2804878 -0.0000000 0.3037975), wk = 0.0025000 k( 199) = ( 0.2926829 -0.0000000 0.3037975), wk = 0.0025000 k( 200) = ( 0.3048781 -0.0000000 0.3037975), wk = 0.0025000 k( 201) = ( 0.3170732 -0.0000000 0.3037975), wk = 0.0025000 k( 202) = ( 0.3292683 -0.0000000 0.3037975), wk = 0.0025000 k( 203) = ( 0.3414634 -0.0000000 0.3037975), wk = 0.0025000 k( 204) = ( 0.3536585 -0.0000000 0.3037975), wk = 0.0025000 k( 205) = ( 0.3658537 -0.0000000 0.3037975), wk = 0.0025000 k( 206) = ( 0.3780488 -0.0000000 0.3037975), wk = 0.0025000 k( 207) = ( 0.3902439 -0.0000000 0.3037975), wk = 0.0025000 k( 208) = ( 0.4024390 -0.0000000 0.3037975), wk = 0.0025000 k( 209) = ( 0.4146341 -0.0000000 0.3037975), wk = 0.0025000 k( 210) = ( 0.4268293 -0.0000000 0.3037975), wk = 0.0025000 k( 211) = ( 0.4390244 -0.0000000 0.3037975), wk = 0.0025000 k( 212) = ( 0.4512195 -0.0000000 0.3037975), wk = 0.0025000 k( 213) = ( 0.4634146 -0.0000000 0.3037975), wk = 0.0025000 k( 214) = ( 0.4756098 -0.0000000 0.3037975), wk = 0.0025000 k( 215) = ( 0.4878049 -0.0000000 0.3037975), wk = 0.0025000 k( 216) = ( 0.5000000 -0.0000000 0.3037975), wk = 0.0025000 k( 217) = ( 0.5000000 -0.0000000 0.3037975), wk = 0.0025000 k( 218) = ( 0.5000000 0.0119567 0.3037975), wk = 0.0025000 k( 219) = ( 0.5000000 0.0239133 0.3037975), wk = 0.0025000 k( 220) = ( 0.5000000 0.0358700 0.3037975), wk = 0.0025000 k( 221) = ( 0.5000000 0.0478266 0.3037975), wk = 0.0025000 k( 222) = ( 0.5000000 0.0597833 0.3037975), wk = 0.0025000 k( 223) = ( 0.5000000 0.0717399 0.3037975), wk = 0.0025000 k( 224) = ( 0.5000000 0.0836966 0.3037975), wk = 0.0025000 k( 225) = ( 0.5000000 0.0956533 0.3037975), wk = 0.0025000 k( 226) = ( 0.5000000 0.1076099 0.3037975), wk = 0.0025000 k( 227) = ( 0.5000000 0.1195666 0.3037975), wk = 0.0025000 k( 228) = ( 0.5000000 0.1315232 0.3037975), wk = 0.0025000 k( 229) = ( 0.5000000 0.1434799 0.3037975), wk = 0.0025000 k( 230) = ( 0.5000000 0.1554365 0.3037975), wk = 0.0025000 k( 231) = ( 0.5000000 0.1673932 0.3037975), wk = 0.0025000 k( 232) = ( 0.5000000 0.1793499 0.3037975), wk = 0.0025000 k( 233) = ( 0.5000000 0.1913065 0.3037975), wk = 0.0025000 k( 234) = ( 0.5000000 0.2032632 0.3037975), wk = 0.0025000 k( 235) = ( 0.5000000 0.2152198 0.3037975), wk = 0.0025000 k( 236) = ( 0.5000000 0.2271765 0.3037975), wk = 0.0025000 k( 237) = ( 0.5000000 0.2391331 0.3037975), wk = 0.0025000 k( 238) = ( 0.5000000 0.2510898 0.3037975), wk = 0.0025000 k( 239) = ( 0.5000000 0.2630465 0.3037975), wk = 0.0025000 k( 240) = ( 0.5000000 0.2750031 0.3037975), wk = 0.0025000 k( 241) = ( 0.5000000 0.2869598 0.3037975), wk = 0.0025000 k( 242) = ( 0.5000000 0.2989164 0.3037975), wk = 0.0025000 k( 243) = ( 0.5000000 0.3108731 0.3037975), wk = 0.0025000 k( 244) = ( 0.5000000 0.3228297 0.3037975), wk = 0.0025000 k( 245) = ( 0.5000000 0.3347864 0.3037975), wk = 0.0025000 k( 246) = ( 0.5000000 0.3467431 0.3037975), wk = 0.0025000 k( 247) = ( 0.5000000 0.3586997 0.3037975), wk = 0.0025000 k( 248) = ( 0.5000000 0.3706564 0.3037975), wk = 0.0025000 k( 249) = ( 0.5000000 0.3706564 0.3037975), wk = 0.0025000 k( 250) = ( 0.4878049 0.3706564 0.3037975), wk = 0.0025000 k( 251) = ( 0.4756098 0.3706564 0.3037975), wk = 0.0025000 k( 252) = ( 0.4634146 0.3706564 0.3037975), wk = 0.0025000 k( 253) = ( 0.4512195 0.3706564 0.3037975), wk = 0.0025000 k( 254) = ( 0.4390244 0.3706564 0.3037975), wk = 0.0025000 k( 255) = ( 0.4268293 0.3706564 0.3037975), wk = 0.0025000 k( 256) = ( 0.4146341 0.3706564 0.3037975), wk = 0.0025000 k( 257) = ( 0.4024390 0.3706564 0.3037975), wk = 0.0025000 k( 258) = ( 0.3902439 0.3706564 0.3037975), wk = 0.0025000 k( 259) = ( 0.3780488 0.3706564 0.3037975), wk = 0.0025000 k( 260) = ( 0.3658537 0.3706564 0.3037975), wk = 0.0025000 k( 261) = ( 0.3536585 0.3706564 0.3037975), wk = 0.0025000 k( 262) = ( 0.3414634 0.3706564 0.3037975), wk = 0.0025000 k( 263) = ( 0.3292683 0.3706564 0.3037975), wk = 0.0025000 k( 264) = ( 0.3170732 0.3706564 0.3037975), wk = 0.0025000 k( 265) = ( 0.3048781 0.3706564 0.3037975), wk = 0.0025000 k( 266) = ( 0.2926829 0.3706564 0.3037975), wk = 0.0025000 k( 267) = ( 0.2804878 0.3706564 0.3037975), wk = 0.0025000 k( 268) = ( 0.2682927 0.3706564 0.3037975), wk = 0.0025000 k( 269) = ( 0.2560976 0.3706564 0.3037975), wk = 0.0025000 k( 270) = ( 0.2439024 0.3706564 0.3037975), wk = 0.0025000 k( 271) = ( 0.2317073 0.3706564 0.3037975), wk = 0.0025000 k( 272) = ( 0.2195122 0.3706564 0.3037975), wk = 0.0025000 k( 273) = ( 0.2073171 0.3706564 0.3037975), wk = 0.0025000 k( 274) = ( 0.1951219 0.3706564 0.3037975), wk = 0.0025000 k( 275) = ( 0.1829268 0.3706564 0.3037975), wk = 0.0025000 k( 276) = ( 0.1707317 0.3706564 0.3037975), wk = 0.0025000 k( 277) = ( 0.1585366 0.3706564 0.3037975), wk = 0.0025000 k( 278) = ( 0.1463415 0.3706564 0.3037975), wk = 0.0025000 k( 279) = ( 0.1341463 0.3706564 0.3037975), wk = 0.0025000 k( 280) = ( 0.1219512 0.3706564 0.3037975), wk = 0.0025000 k( 281) = ( 0.1097561 0.3706564 0.3037975), wk = 0.0025000 k( 282) = ( 0.0975610 0.3706564 0.3037975), wk = 0.0025000 k( 283) = ( 0.0853658 0.3706564 0.3037975), wk = 0.0025000 k( 284) = ( 0.0731707 0.3706564 0.3037975), wk = 0.0025000 k( 285) = ( 0.0609756 0.3706564 0.3037975), wk = 0.0025000 k( 286) = ( 0.0487805 0.3706564 0.3037975), wk = 0.0025000 k( 287) = ( 0.0365854 0.3706564 0.3037975), wk = 0.0025000 k( 288) = ( 0.0243902 0.3706564 0.3037975), wk = 0.0025000 k( 289) = ( 0.0121951 0.3706564 0.3037975), wk = 0.0025000 k( 290) = ( 0.0000000 0.3706564 0.3037975), wk = 0.0025000 k( 291) = ( 0.0000000 0.3706564 0.3037975), wk = 0.0025000 k( 292) = ( 0.0000000 0.3586997 0.3037975), wk = 0.0025000 k( 293) = ( 0.0000000 0.3467431 0.3037975), wk = 0.0025000 k( 294) = ( 0.0000000 0.3347864 0.3037975), wk = 0.0025000 k( 295) = ( 0.0000000 0.3228297 0.3037975), wk = 0.0025000 k( 296) = ( 0.0000000 0.3108731 0.3037975), wk = 0.0025000 k( 297) = ( 0.0000000 0.2989164 0.3037975), wk = 0.0025000 k( 298) = ( 0.0000000 0.2869598 0.3037975), wk = 0.0025000 k( 299) = ( 0.0000000 0.2750031 0.3037975), wk = 0.0025000 k( 300) = ( 0.0000000 0.2630465 0.3037975), wk = 0.0025000 k( 301) = ( 0.0000000 0.2510898 0.3037975), wk = 0.0025000 k( 302) = ( 0.0000000 0.2391331 0.3037975), wk = 0.0025000 k( 303) = ( 0.0000000 0.2271765 0.3037975), wk = 0.0025000 k( 304) = ( 0.0000000 0.2152198 0.3037975), wk = 0.0025000 k( 305) = ( 0.0000000 0.2032632 0.3037975), wk = 0.0025000 k( 306) = ( 0.0000000 0.1913065 0.3037975), wk = 0.0025000 k( 307) = ( 0.0000000 0.1793499 0.3037975), wk = 0.0025000 k( 308) = ( 0.0000000 0.1673932 0.3037975), wk = 0.0025000 k( 309) = ( 0.0000000 0.1554365 0.3037975), wk = 0.0025000 k( 310) = ( 0.0000000 0.1434799 0.3037975), wk = 0.0025000 k( 311) = ( 0.0000000 0.1315232 0.3037975), wk = 0.0025000 k( 312) = ( 0.0000000 0.1195666 0.3037975), wk = 0.0025000 k( 313) = ( 0.0000000 0.1076099 0.3037975), wk = 0.0025000 k( 314) = ( 0.0000000 0.0956533 0.3037975), wk = 0.0025000 k( 315) = ( 0.0000000 0.0836966 0.3037975), wk = 0.0025000 k( 316) = ( 0.0000000 0.0717399 0.3037975), wk = 0.0025000 k( 317) = ( 0.0000000 0.0597833 0.3037975), wk = 0.0025000 k( 318) = ( 0.0000000 0.0478266 0.3037975), wk = 0.0025000 k( 319) = ( 0.0000000 0.0358700 0.3037975), wk = 0.0025000 k( 320) = ( 0.0000000 0.0239133 0.3037975), wk = 0.0025000 k( 321) = ( 0.0000000 0.0119567 0.3037975), wk = 0.0025000 k( 322) = ( 0.0000000 0.0000000 0.3037975), wk = 0.0025000 k( 323) = ( 0.0000000 0.3706564 -0.0000000), wk = 0.0025000 k( 324) = ( 0.0000000 0.3706564 0.0121519), wk = 0.0025000 k( 325) = ( 0.0000000 0.3706564 0.0243038), wk = 0.0025000 k( 326) = ( 0.0000000 0.3706564 0.0364557), wk = 0.0025000 k( 327) = ( 0.0000000 0.3706564 0.0486076), wk = 0.0025000 k( 328) = ( 0.0000000 0.3706564 0.0607595), wk = 0.0025000 k( 329) = ( 0.0000000 0.3706564 0.0729114), wk = 0.0025000 k( 330) = ( 0.0000000 0.3706564 0.0850633), wk = 0.0025000 k( 331) = ( 0.0000000 0.3706564 0.0972152), wk = 0.0025000 k( 332) = ( 0.0000000 0.3706564 0.1093671), wk = 0.0025000 k( 333) = ( 0.0000000 0.3706564 0.1215190), wk = 0.0025000 k( 334) = ( 0.0000000 0.3706564 0.1336709), wk = 0.0025000 k( 335) = ( 0.0000000 0.3706564 0.1458228), wk = 0.0025000 k( 336) = ( 0.0000000 0.3706564 0.1579747), wk = 0.0025000 k( 337) = ( 0.0000000 0.3706564 0.1701266), wk = 0.0025000 k( 338) = ( 0.0000000 0.3706564 0.1822785), wk = 0.0025000 k( 339) = ( 0.0000000 0.3706564 0.1944304), wk = 0.0025000 k( 340) = ( 0.0000000 0.3706564 0.2065823), wk = 0.0025000 k( 341) = ( 0.0000000 0.3706564 0.2187342), wk = 0.0025000 k( 342) = ( 0.0000000 0.3706564 0.2308861), wk = 0.0025000 k( 343) = ( 0.0000000 0.3706564 0.2430380), wk = 0.0025000 k( 344) = ( 0.0000000 0.3706564 0.2551899), wk = 0.0025000 k( 345) = ( 0.0000000 0.3706564 0.2673418), wk = 0.0025000 k( 346) = ( 0.0000000 0.3706564 0.2794937), wk = 0.0025000 k( 347) = ( 0.0000000 0.3706564 0.2916456), wk = 0.0025000 k( 348) = ( 0.0000000 0.3706564 0.3037975), wk = 0.0025000 k( 349) = ( 0.5000000 -0.0000000 0.3037975), wk = 0.0025000 k( 350) = ( 0.5000000 -0.0000000 0.2916456), wk = 0.0025000 k( 351) = ( 0.5000000 -0.0000000 0.2794937), wk = 0.0025000 k( 352) = ( 0.5000000 -0.0000000 0.2673418), wk = 0.0025000 k( 353) = ( 0.5000000 -0.0000000 0.2551899), wk = 0.0025000 k( 354) = ( 0.5000000 -0.0000000 0.2430380), wk = 0.0025000 k( 355) = ( 0.5000000 -0.0000000 0.2308861), wk = 0.0025000 k( 356) = ( 0.5000000 -0.0000000 0.2187342), wk = 0.0025000 k( 357) = ( 0.5000000 -0.0000000 0.2065823), wk = 0.0025000 k( 358) = ( 0.5000000 -0.0000000 0.1944304), wk = 0.0025000 k( 359) = ( 0.5000000 -0.0000000 0.1822785), wk = 0.0025000 k( 360) = ( 0.5000000 -0.0000000 0.1701266), wk = 0.0025000 k( 361) = ( 0.5000000 -0.0000000 0.1579747), wk = 0.0025000 k( 362) = ( 0.5000000 -0.0000000 0.1458228), wk = 0.0025000 k( 363) = ( 0.5000000 -0.0000000 0.1336709), wk = 0.0025000 k( 364) = ( 0.5000000 -0.0000000 0.1215190), wk = 0.0025000 k( 365) = ( 0.5000000 -0.0000000 0.1093671), wk = 0.0025000 k( 366) = ( 0.5000000 -0.0000000 0.0972152), wk = 0.0025000 k( 367) = ( 0.5000000 -0.0000000 0.0850633), wk = 0.0025000 k( 368) = ( 0.5000000 -0.0000000 0.0729114), wk = 0.0025000 k( 369) = ( 0.5000000 -0.0000000 0.0607595), wk = 0.0025000 k( 370) = ( 0.5000000 -0.0000000 0.0486076), wk = 0.0025000 k( 371) = ( 0.5000000 -0.0000000 0.0364557), wk = 0.0025000 k( 372) = ( 0.5000000 -0.0000000 0.0243038), wk = 0.0025000 k( 373) = ( 0.5000000 -0.0000000 0.0121519), wk = 0.0025000 k( 374) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025000 k( 375) = ( 0.5000000 0.3706564 -0.0000000), wk = 0.0025000 k( 376) = ( 0.5000000 0.3706564 0.0121519), wk = 0.0025000 k( 377) = ( 0.5000000 0.3706564 0.0243038), wk = 0.0025000 k( 378) = ( 0.5000000 0.3706564 0.0364557), wk = 0.0025000 k( 379) = ( 0.5000000 0.3706564 0.0486076), wk = 0.0025000 k( 380) = ( 0.5000000 0.3706564 0.0607595), wk = 0.0025000 k( 381) = ( 0.5000000 0.3706564 0.0729114), wk = 0.0025000 k( 382) = ( 0.5000000 0.3706564 0.0850633), wk = 0.0025000 k( 383) = ( 0.5000000 0.3706564 0.0972152), wk = 0.0025000 k( 384) = ( 0.5000000 0.3706564 0.1093671), wk = 0.0025000 k( 385) = ( 0.5000000 0.3706564 0.1215190), wk = 0.0025000 k( 386) = ( 0.5000000 0.3706564 0.1336709), wk = 0.0025000 k( 387) = ( 0.5000000 0.3706564 0.1458228), wk = 0.0025000 k( 388) = ( 0.5000000 0.3706564 0.1579747), wk = 0.0025000 k( 389) = ( 0.5000000 0.3706564 0.1701266), wk = 0.0025000 k( 390) = ( 0.5000000 0.3706564 0.1822785), wk = 0.0025000 k( 391) = ( 0.5000000 0.3706564 0.1944304), wk = 0.0025000 k( 392) = ( 0.5000000 0.3706564 0.2065823), wk = 0.0025000 k( 393) = ( 0.5000000 0.3706564 0.2187342), wk = 0.0025000 k( 394) = ( 0.5000000 0.3706564 0.2308861), wk = 0.0025000 k( 395) = ( 0.5000000 0.3706564 0.2430380), wk = 0.0025000 k( 396) = ( 0.5000000 0.3706564 0.2551899), wk = 0.0025000 k( 397) = ( 0.5000000 0.3706564 0.2673418), wk = 0.0025000 k( 398) = ( 0.5000000 0.3706564 0.2794937), wk = 0.0025000 k( 399) = ( 0.5000000 0.3706564 0.2916456), wk = 0.0025000 k( 400) = ( 0.5000000 0.3706564 0.3037975), wk = 0.0025000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0121951 0.0000000 0.0000000), wk = 0.0025000 k( 3) = ( 0.0243902 0.0000000 0.0000000), wk = 0.0025000 k( 4) = ( 0.0365854 0.0000000 0.0000000), wk = 0.0025000 k( 5) = ( 0.0487805 0.0000000 0.0000000), wk = 0.0025000 k( 6) = ( 0.0609756 0.0000000 0.0000000), wk = 0.0025000 k( 7) = ( 0.0731707 0.0000000 0.0000000), wk = 0.0025000 k( 8) = ( 0.0853658 0.0000000 0.0000000), wk = 0.0025000 k( 9) = ( 0.0975610 0.0000000 0.0000000), wk = 0.0025000 k( 10) = ( 0.1097561 0.0000000 0.0000000), wk = 0.0025000 k( 11) = ( 0.1219512 0.0000000 0.0000000), wk = 0.0025000 k( 12) = ( 0.1341463 0.0000000 0.0000000), wk = 0.0025000 k( 13) = ( 0.1463415 0.0000000 0.0000000), wk = 0.0025000 k( 14) = ( 0.1585366 0.0000000 0.0000000), wk = 0.0025000 k( 15) = ( 0.1707317 0.0000000 0.0000000), wk = 0.0025000 k( 16) = ( 0.1829268 0.0000000 0.0000000), wk = 0.0025000 k( 17) = ( 0.1951219 0.0000000 0.0000000), wk = 0.0025000 k( 18) = ( 0.2073171 0.0000000 0.0000000), wk = 0.0025000 k( 19) = ( 0.2195122 0.0000000 0.0000000), wk = 0.0025000 k( 20) = ( 0.2317073 0.0000000 0.0000000), wk = 0.0025000 k( 21) = ( 0.2439024 0.0000000 0.0000000), wk = 0.0025000 k( 22) = ( 0.2560976 0.0000000 0.0000000), wk = 0.0025000 k( 23) = ( 0.2682927 0.0000000 0.0000000), wk = 0.0025000 k( 24) = ( 0.2804878 0.0000000 0.0000000), wk = 0.0025000 k( 25) = ( 0.2926829 0.0000000 0.0000000), wk = 0.0025000 k( 26) = ( 0.3048781 0.0000000 0.0000000), wk = 0.0025000 k( 27) = ( 0.3170732 0.0000000 0.0000000), wk = 0.0025000 k( 28) = ( 0.3292683 0.0000000 0.0000000), wk = 0.0025000 k( 29) = ( 0.3414634 0.0000000 0.0000000), wk = 0.0025000 k( 30) = ( 0.3536585 0.0000000 0.0000000), wk = 0.0025000 k( 31) = ( 0.3658537 0.0000000 0.0000000), wk = 0.0025000 k( 32) = ( 0.3780488 0.0000000 0.0000000), wk = 0.0025000 k( 33) = ( 0.3902439 0.0000000 0.0000000), wk = 0.0025000 k( 34) = ( 0.4024390 0.0000000 0.0000000), wk = 0.0025000 k( 35) = ( 0.4146341 0.0000000 0.0000000), wk = 0.0025000 k( 36) = ( 0.4268293 0.0000000 0.0000000), wk = 0.0025000 k( 37) = ( 0.4390244 0.0000000 0.0000000), wk = 0.0025000 k( 38) = ( 0.4512195 0.0000000 0.0000000), wk = 0.0025000 k( 39) = ( 0.4634146 0.0000000 0.0000000), wk = 0.0025000 k( 40) = ( 0.4756098 0.0000000 0.0000000), wk = 0.0025000 k( 41) = ( 0.4878049 0.0000000 0.0000000), wk = 0.0025000 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025000 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025000 k( 44) = ( 0.5000000 0.0161290 0.0000000), wk = 0.0025000 k( 45) = ( 0.5000000 0.0322581 0.0000000), wk = 0.0025000 k( 46) = ( 0.5000000 0.0483871 0.0000000), wk = 0.0025000 k( 47) = ( 0.5000000 0.0645161 0.0000000), wk = 0.0025000 k( 48) = ( 0.5000000 0.0806452 0.0000000), wk = 0.0025000 k( 49) = ( 0.5000000 0.0967742 0.0000000), wk = 0.0025000 k( 50) = ( 0.5000000 0.1129032 0.0000000), wk = 0.0025000 k( 51) = ( 0.5000000 0.1290323 0.0000000), wk = 0.0025000 k( 52) = ( 0.5000000 0.1451613 0.0000000), wk = 0.0025000 k( 53) = ( 0.5000000 0.1612903 0.0000000), wk = 0.0025000 k( 54) = ( 0.5000000 0.1774193 0.0000000), wk = 0.0025000 k( 55) = ( 0.5000000 0.1935484 0.0000000), wk = 0.0025000 k( 56) = ( 0.5000000 0.2096774 0.0000000), wk = 0.0025000 k( 57) = ( 0.5000000 0.2258064 0.0000000), wk = 0.0025000 k( 58) = ( 0.5000000 0.2419355 0.0000000), wk = 0.0025000 k( 59) = ( 0.5000000 0.2580645 0.0000000), wk = 0.0025000 k( 60) = ( 0.5000000 0.2741935 0.0000000), wk = 0.0025000 k( 61) = ( 0.5000000 0.2903226 0.0000000), wk = 0.0025000 k( 62) = ( 0.5000000 0.3064516 0.0000000), wk = 0.0025000 k( 63) = ( 0.5000000 0.3225806 0.0000000), wk = 0.0025000 k( 64) = ( 0.5000000 0.3387097 0.0000000), wk = 0.0025000 k( 65) = ( 0.5000000 0.3548387 0.0000000), wk = 0.0025000 k( 66) = ( 0.5000000 0.3709677 0.0000000), wk = 0.0025000 k( 67) = ( 0.5000000 0.3870968 0.0000000), wk = 0.0025000 k( 68) = ( 0.5000000 0.4032258 0.0000000), wk = 0.0025000 k( 69) = ( 0.5000000 0.4193548 0.0000000), wk = 0.0025000 k( 70) = ( 0.5000000 0.4354839 0.0000000), wk = 0.0025000 k( 71) = ( 0.5000000 0.4516129 0.0000000), wk = 0.0025000 k( 72) = ( 0.5000000 0.4677419 0.0000000), wk = 0.0025000 k( 73) = ( 0.5000000 0.4838710 0.0000000), wk = 0.0025000 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 75) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 76) = ( 0.4878049 0.5000000 0.0000000), wk = 0.0025000 k( 77) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0025000 k( 78) = ( 0.4634146 0.5000000 0.0000000), wk = 0.0025000 k( 79) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0025000 k( 80) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0025000 k( 81) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0025000 k( 82) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0025000 k( 83) = ( 0.4024390 0.5000000 0.0000000), wk = 0.0025000 k( 84) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0025000 k( 85) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0025000 k( 86) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0025000 k( 87) = ( 0.3536585 0.5000000 0.0000000), wk = 0.0025000 k( 88) = ( 0.3414634 0.5000000 0.0000000), wk = 0.0025000 k( 89) = ( 0.3292683 0.5000000 0.0000000), wk = 0.0025000 k( 90) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0025000 k( 91) = ( 0.3048781 0.5000000 0.0000000), wk = 0.0025000 k( 92) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0025000 k( 93) = ( 0.2804878 0.5000000 0.0000000), wk = 0.0025000 k( 94) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0025000 k( 95) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0025000 k( 96) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0025000 k( 97) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0025000 k( 98) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0025000 k( 99) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0025000 k( 100) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0025000 k( 101) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0025000 k( 102) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0025000 k( 103) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0025000 k( 104) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0025000 k( 105) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0025000 k( 106) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0025000 k( 107) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0025000 k( 108) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0025000 k( 109) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0025000 k( 110) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0025000 k( 111) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0025000 k( 112) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0025000 k( 113) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0025000 k( 114) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0025000 k( 115) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0025000 k( 116) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025000 k( 117) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025000 k( 118) = ( 0.0000000 0.4838710 0.0000000), wk = 0.0025000 k( 119) = ( 0.0000000 0.4677419 -0.0000000), wk = 0.0025000 k( 120) = ( 0.0000000 0.4516129 0.0000000), wk = 0.0025000 k( 121) = ( 0.0000000 0.4354839 0.0000000), wk = 0.0025000 k( 122) = ( 0.0000000 0.4193548 0.0000000), wk = 0.0025000 k( 123) = ( 0.0000000 0.4032258 0.0000000), wk = 0.0025000 k( 124) = ( 0.0000000 0.3870968 0.0000000), wk = 0.0025000 k( 125) = ( 0.0000000 0.3709677 0.0000000), wk = 0.0025000 k( 126) = ( 0.0000000 0.3548387 0.0000000), wk = 0.0025000 k( 127) = ( 0.0000000 0.3387097 0.0000000), wk = 0.0025000 k( 128) = ( 0.0000000 0.3225806 0.0000000), wk = 0.0025000 k( 129) = ( 0.0000000 0.3064516 0.0000000), wk = 0.0025000 k( 130) = ( 0.0000000 0.2903226 0.0000000), wk = 0.0025000 k( 131) = ( 0.0000000 0.2741935 0.0000000), wk = 0.0025000 k( 132) = ( 0.0000000 0.2580645 0.0000000), wk = 0.0025000 k( 133) = ( 0.0000000 0.2419355 0.0000000), wk = 0.0025000 k( 134) = ( 0.0000000 0.2258064 0.0000000), wk = 0.0025000 k( 135) = ( 0.0000000 0.2096774 0.0000000), wk = 0.0025000 k( 136) = ( 0.0000000 0.1935484 0.0000000), wk = 0.0025000 k( 137) = ( 0.0000000 0.1774194 0.0000000), wk = 0.0025000 k( 138) = ( 0.0000000 0.1612903 0.0000000), wk = 0.0025000 k( 139) = ( 0.0000000 0.1451613 0.0000000), wk = 0.0025000 k( 140) = ( 0.0000000 0.1290323 0.0000000), wk = 0.0025000 k( 141) = ( 0.0000000 0.1129032 0.0000000), wk = 0.0025000 k( 142) = ( 0.0000000 0.0967742 -0.0000000), wk = 0.0025000 k( 143) = ( 0.0000000 0.0806452 0.0000000), wk = 0.0025000 k( 144) = ( 0.0000000 0.0645161 0.0000000), wk = 0.0025000 k( 145) = ( 0.0000000 0.0483871 0.0000000), wk = 0.0025000 k( 146) = ( 0.0000000 0.0322581 -0.0000000), wk = 0.0025000 k( 147) = ( 0.0000000 0.0161290 -0.0000000), wk = 0.0025000 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 150) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0025000 k( 151) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0025000 k( 152) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0025000 k( 153) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0025000 k( 154) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0025000 k( 155) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0025000 k( 156) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0025000 k( 157) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0025000 k( 158) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0025000 k( 159) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0025000 k( 160) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0025000 k( 161) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0025000 k( 162) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0025000 k( 163) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0025000 k( 164) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0025000 k( 165) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0025000 k( 166) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0025000 k( 167) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0025000 k( 168) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0025000 k( 169) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0025000 k( 170) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0025000 k( 171) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0025000 k( 172) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0025000 k( 173) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0025000 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 175) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 176) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0025000 k( 177) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0025000 k( 178) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0025000 k( 179) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0025000 k( 180) = ( 0.0609756 0.0000000 0.5000000), wk = 0.0025000 k( 181) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0025000 k( 182) = ( 0.0853658 0.0000000 0.5000000), wk = 0.0025000 k( 183) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0025000 k( 184) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0025000 k( 185) = ( 0.1219512 0.0000000 0.5000000), wk = 0.0025000 k( 186) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0025000 k( 187) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0025000 k( 188) = ( 0.1585366 0.0000000 0.5000000), wk = 0.0025000 k( 189) = ( 0.1707317 0.0000000 0.5000000), wk = 0.0025000 k( 190) = ( 0.1829268 0.0000000 0.5000000), wk = 0.0025000 k( 191) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0025000 k( 192) = ( 0.2073171 0.0000000 0.5000000), wk = 0.0025000 k( 193) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0025000 k( 194) = ( 0.2317073 0.0000000 0.5000000), wk = 0.0025000 k( 195) = ( 0.2439024 0.0000000 0.5000000), wk = 0.0025000 k( 196) = ( 0.2560976 0.0000000 0.5000000), wk = 0.0025000 k( 197) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0025000 k( 198) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0025000 k( 199) = ( 0.2926829 0.0000000 0.5000000), wk = 0.0025000 k( 200) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0025000 k( 201) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0025000 k( 202) = ( 0.3292683 0.0000000 0.5000000), wk = 0.0025000 k( 203) = ( 0.3414634 0.0000000 0.5000000), wk = 0.0025000 k( 204) = ( 0.3536585 0.0000000 0.5000000), wk = 0.0025000 k( 205) = ( 0.3658537 0.0000000 0.5000000), wk = 0.0025000 k( 206) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0025000 k( 207) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0025000 k( 208) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0025000 k( 209) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0025000 k( 210) = ( 0.4268293 0.0000000 0.5000000), wk = 0.0025000 k( 211) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0025000 k( 212) = ( 0.4512195 0.0000000 0.5000000), wk = 0.0025000 k( 213) = ( 0.4634146 0.0000000 0.5000000), wk = 0.0025000 k( 214) = ( 0.4756098 0.0000000 0.5000000), wk = 0.0025000 k( 215) = ( 0.4878049 0.0000000 0.5000000), wk = 0.0025000 k( 216) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025000 k( 217) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025000 k( 218) = ( 0.5000000 0.0161290 0.5000000), wk = 0.0025000 k( 219) = ( 0.5000000 0.0322581 0.5000000), wk = 0.0025000 k( 220) = ( 0.5000000 0.0483871 0.5000000), wk = 0.0025000 k( 221) = ( 0.5000000 0.0645161 0.5000000), wk = 0.0025000 k( 222) = ( 0.5000000 0.0806452 0.5000000), wk = 0.0025000 k( 223) = ( 0.5000000 0.0967742 0.5000000), wk = 0.0025000 k( 224) = ( 0.5000000 0.1129032 0.5000000), wk = 0.0025000 k( 225) = ( 0.5000000 0.1290323 0.5000000), wk = 0.0025000 k( 226) = ( 0.5000000 0.1451613 0.5000000), wk = 0.0025000 k( 227) = ( 0.5000000 0.1612903 0.5000000), wk = 0.0025000 k( 228) = ( 0.5000000 0.1774193 0.5000000), wk = 0.0025000 k( 229) = ( 0.5000000 0.1935484 0.5000000), wk = 0.0025000 k( 230) = ( 0.5000000 0.2096774 0.5000000), wk = 0.0025000 k( 231) = ( 0.5000000 0.2258064 0.5000000), wk = 0.0025000 k( 232) = ( 0.5000000 0.2419355 0.5000000), wk = 0.0025000 k( 233) = ( 0.5000000 0.2580645 0.5000000), wk = 0.0025000 k( 234) = ( 0.5000000 0.2741935 0.5000000), wk = 0.0025000 k( 235) = ( 0.5000000 0.2903226 0.5000000), wk = 0.0025000 k( 236) = ( 0.5000000 0.3064516 0.5000000), wk = 0.0025000 k( 237) = ( 0.5000000 0.3225806 0.5000000), wk = 0.0025000 k( 238) = ( 0.5000000 0.3387097 0.5000000), wk = 0.0025000 k( 239) = ( 0.5000000 0.3548387 0.5000000), wk = 0.0025000 k( 240) = ( 0.5000000 0.3709677 0.5000000), wk = 0.0025000 k( 241) = ( 0.5000000 0.3870968 0.5000000), wk = 0.0025000 k( 242) = ( 0.5000000 0.4032258 0.5000000), wk = 0.0025000 k( 243) = ( 0.5000000 0.4193548 0.5000000), wk = 0.0025000 k( 244) = ( 0.5000000 0.4354839 0.5000000), wk = 0.0025000 k( 245) = ( 0.5000000 0.4516129 0.5000000), wk = 0.0025000 k( 246) = ( 0.5000000 0.4677419 0.5000000), wk = 0.0025000 k( 247) = ( 0.5000000 0.4838710 0.5000000), wk = 0.0025000 k( 248) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 249) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 250) = ( 0.4878049 0.5000000 0.5000000), wk = 0.0025000 k( 251) = ( 0.4756098 0.5000000 0.5000000), wk = 0.0025000 k( 252) = ( 0.4634146 0.5000000 0.5000000), wk = 0.0025000 k( 253) = ( 0.4512195 0.5000000 0.5000000), wk = 0.0025000 k( 254) = ( 0.4390244 0.5000000 0.5000000), wk = 0.0025000 k( 255) = ( 0.4268293 0.5000000 0.5000000), wk = 0.0025000 k( 256) = ( 0.4146341 0.5000000 0.5000000), wk = 0.0025000 k( 257) = ( 0.4024390 0.5000000 0.5000000), wk = 0.0025000 k( 258) = ( 0.3902439 0.5000000 0.5000000), wk = 0.0025000 k( 259) = ( 0.3780488 0.5000000 0.5000000), wk = 0.0025000 k( 260) = ( 0.3658537 0.5000000 0.5000000), wk = 0.0025000 k( 261) = ( 0.3536585 0.5000000 0.5000000), wk = 0.0025000 k( 262) = ( 0.3414634 0.5000000 0.5000000), wk = 0.0025000 k( 263) = ( 0.3292683 0.5000000 0.5000000), wk = 0.0025000 k( 264) = ( 0.3170732 0.5000000 0.5000000), wk = 0.0025000 k( 265) = ( 0.3048781 0.5000000 0.5000000), wk = 0.0025000 k( 266) = ( 0.2926829 0.5000000 0.5000000), wk = 0.0025000 k( 267) = ( 0.2804878 0.5000000 0.5000000), wk = 0.0025000 k( 268) = ( 0.2682927 0.5000000 0.5000000), wk = 0.0025000 k( 269) = ( 0.2560976 0.5000000 0.5000000), wk = 0.0025000 k( 270) = ( 0.2439024 0.5000000 0.5000000), wk = 0.0025000 k( 271) = ( 0.2317073 0.5000000 0.5000000), wk = 0.0025000 k( 272) = ( 0.2195122 0.5000000 0.5000000), wk = 0.0025000 k( 273) = ( 0.2073171 0.5000000 0.5000000), wk = 0.0025000 k( 274) = ( 0.1951219 0.5000000 0.5000000), wk = 0.0025000 k( 275) = ( 0.1829268 0.5000000 0.5000000), wk = 0.0025000 k( 276) = ( 0.1707317 0.5000000 0.5000000), wk = 0.0025000 k( 277) = ( 0.1585366 0.5000000 0.5000000), wk = 0.0025000 k( 278) = ( 0.1463415 0.5000000 0.5000000), wk = 0.0025000 k( 279) = ( 0.1341463 0.5000000 0.5000000), wk = 0.0025000 k( 280) = ( 0.1219512 0.5000000 0.5000000), wk = 0.0025000 k( 281) = ( 0.1097561 0.5000000 0.5000000), wk = 0.0025000 k( 282) = ( 0.0975610 0.5000000 0.5000000), wk = 0.0025000 k( 283) = ( 0.0853658 0.5000000 0.5000000), wk = 0.0025000 k( 284) = ( 0.0731707 0.5000000 0.5000000), wk = 0.0025000 k( 285) = ( 0.0609756 0.5000000 0.5000000), wk = 0.0025000 k( 286) = ( 0.0487805 0.5000000 0.5000000), wk = 0.0025000 k( 287) = ( 0.0365854 0.5000000 0.5000000), wk = 0.0025000 k( 288) = ( 0.0243902 0.5000000 0.5000000), wk = 0.0025000 k( 289) = ( 0.0121951 0.5000000 0.5000000), wk = 0.0025000 k( 290) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 291) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 292) = ( 0.0000000 0.4838710 0.5000000), wk = 0.0025000 k( 293) = ( 0.0000000 0.4677419 0.5000000), wk = 0.0025000 k( 294) = ( 0.0000000 0.4516129 0.5000000), wk = 0.0025000 k( 295) = ( 0.0000000 0.4354839 0.5000000), wk = 0.0025000 k( 296) = ( 0.0000000 0.4193548 0.5000000), wk = 0.0025000 k( 297) = ( 0.0000000 0.4032258 0.5000000), wk = 0.0025000 k( 298) = ( 0.0000000 0.3870968 0.5000000), wk = 0.0025000 k( 299) = ( 0.0000000 0.3709677 0.5000000), wk = 0.0025000 k( 300) = ( 0.0000000 0.3548387 0.5000000), wk = 0.0025000 k( 301) = ( 0.0000000 0.3387097 0.5000000), wk = 0.0025000 k( 302) = ( 0.0000000 0.3225806 0.5000000), wk = 0.0025000 k( 303) = ( 0.0000000 0.3064516 0.5000000), wk = 0.0025000 k( 304) = ( 0.0000000 0.2903226 0.5000000), wk = 0.0025000 k( 305) = ( 0.0000000 0.2741935 0.5000000), wk = 0.0025000 k( 306) = ( 0.0000000 0.2580645 0.5000000), wk = 0.0025000 k( 307) = ( 0.0000000 0.2419355 0.5000000), wk = 0.0025000 k( 308) = ( 0.0000000 0.2258064 0.5000000), wk = 0.0025000 k( 309) = ( 0.0000000 0.2096774 0.5000000), wk = 0.0025000 k( 310) = ( 0.0000000 0.1935484 0.5000000), wk = 0.0025000 k( 311) = ( 0.0000000 0.1774194 0.5000000), wk = 0.0025000 k( 312) = ( 0.0000000 0.1612903 0.5000000), wk = 0.0025000 k( 313) = ( 0.0000000 0.1451613 0.5000000), wk = 0.0025000 k( 314) = ( 0.0000000 0.1290323 0.5000000), wk = 0.0025000 k( 315) = ( 0.0000000 0.1129032 0.5000000), wk = 0.0025000 k( 316) = ( 0.0000000 0.0967742 0.5000000), wk = 0.0025000 k( 317) = ( 0.0000000 0.0806452 0.5000000), wk = 0.0025000 k( 318) = ( 0.0000000 0.0645161 0.5000000), wk = 0.0025000 k( 319) = ( 0.0000000 0.0483871 0.5000000), wk = 0.0025000 k( 320) = ( 0.0000000 0.0322581 0.5000000), wk = 0.0025000 k( 321) = ( 0.0000000 0.0161290 0.5000000), wk = 0.0025000 k( 322) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 323) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025000 k( 324) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0025000 k( 325) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0025000 k( 326) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0025000 k( 327) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0025000 k( 328) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0025000 k( 329) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0025000 k( 330) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0025000 k( 331) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0025000 k( 332) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0025000 k( 333) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0025000 k( 334) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0025000 k( 335) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0025000 k( 336) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0025000 k( 337) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0025000 k( 338) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0025000 k( 339) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0025000 k( 340) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0025000 k( 341) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0025000 k( 342) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0025000 k( 343) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0025000 k( 344) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0025000 k( 345) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0025000 k( 346) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0025000 k( 347) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0025000 k( 348) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 349) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025000 k( 350) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0025000 k( 351) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0025000 k( 352) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0025000 k( 353) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0025000 k( 354) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0025000 k( 355) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0025000 k( 356) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0025000 k( 357) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0025000 k( 358) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0025000 k( 359) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0025000 k( 360) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0025000 k( 361) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0025000 k( 362) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0025000 k( 363) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0025000 k( 364) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0025000 k( 365) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0025000 k( 366) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0025000 k( 367) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0025000 k( 368) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0025000 k( 369) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0025000 k( 370) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0025000 k( 371) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0025000 k( 372) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0025000 k( 373) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0025000 k( 374) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025000 k( 375) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 376) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0025000 k( 377) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0025000 k( 378) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0025000 k( 379) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0025000 k( 380) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0025000 k( 381) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0025000 k( 382) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0025000 k( 383) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0025000 k( 384) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0025000 k( 385) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0025000 k( 386) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0025000 k( 387) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0025000 k( 388) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0025000 k( 389) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0025000 k( 390) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0025000 k( 391) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0025000 k( 392) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0025000 k( 393) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0025000 k( 394) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0025000 k( 395) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0025000 k( 396) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0025000 k( 397) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0025000 k( 398) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0025000 k( 399) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0025000 k( 400) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025000 Dense grid: 53961 G-vectors FFT dimensions: ( 36, 50, 60) Smooth grid: 31173 G-vectors FFT dimensions: ( 30, 45, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 268, 48) NL pseudopotentials 0.42 Mb ( 134, 204) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1689) G-vector shells 0.01 Mb ( 838) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.79 Mb ( 268, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.30 Mb ( 204, 2, 48) The potential is recalculated from file : ./NiSb2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.4 secs Computing kpt #: 2 total cpu time spent up to now is 5.7 secs Computing kpt #: 3 total cpu time spent up to now is 7.0 secs Computing kpt #: 4 total cpu time spent up to now is 8.3 secs Computing kpt #: 5 total cpu time spent up to now is 9.4 secs Computing kpt #: 6 total cpu time spent up to now is 10.5 secs Computing kpt #: 7 total cpu time spent up to now is 11.6 secs Computing kpt #: 8 total cpu time spent up to now is 12.7 secs Computing kpt #: 9 total cpu time spent up to now is 13.7 secs Computing kpt #: 10 total cpu time spent up to now is 14.8 secs Computing kpt #: 11 total cpu time spent up to now is 15.8 secs Computing kpt #: 12 total cpu time spent up to now is 16.8 secs Computing kpt #: 13 total cpu time spent up to now is 17.8 secs Computing kpt #: 14 total cpu time spent up to now is 18.8 secs Computing kpt #: 15 total cpu time spent up to now is 19.7 secs Computing kpt #: 16 total cpu time spent up to now is 20.7 secs Computing kpt #: 17 total cpu time spent up to now is 21.7 secs Computing kpt #: 18 total cpu time spent up to now is 22.6 secs Computing kpt #: 19 total cpu time spent up to now is 23.6 secs Computing kpt #: 20 total cpu time spent up to now is 24.6 secs Computing kpt #: 21 total cpu time spent up to now is 25.6 secs Computing kpt #: 22 total cpu time spent up to now is 26.5 secs Computing kpt #: 23 total cpu time spent up to now is 27.5 secs Computing kpt #: 24 total cpu time spent up to now is 28.5 secs Computing kpt #: 25 total cpu time spent up to now is 29.5 secs Computing kpt #: 26 total cpu time spent up to now is 30.4 secs Computing kpt #: 27 total cpu time spent up to now is 31.4 secs Computing kpt #: 28 total cpu time spent up to now is 32.3 secs Computing kpt #: 29 total cpu time spent up to now is 33.3 secs Computing kpt #: 30 total cpu time spent up to now is 34.3 secs Computing kpt #: 31 total cpu time spent up to now is 35.2 secs Computing kpt #: 32 total cpu time spent up to now is 36.2 secs Computing kpt #: 33 total cpu time spent up to now is 37.2 secs Computing kpt #: 34 total cpu time spent up to now is 38.1 secs Computing kpt #: 35 total cpu time spent up to now is 39.1 secs Computing kpt #: 36 total cpu time spent up to now is 40.1 secs Computing kpt #: 37 total cpu time spent up to now is 41.1 secs Computing kpt #: 38 total cpu time spent up to now is 42.1 secs Computing kpt #: 39 total cpu time spent up to now is 43.1 secs Computing kpt #: 40 total cpu time spent up to now is 44.1 secs Computing kpt #: 41 total cpu time spent up to now is 45.1 secs Computing kpt #: 42 total cpu time spent up to now is 46.0 secs Computing kpt #: 43 total cpu time spent up to now is 47.0 secs Computing kpt #: 44 total cpu time spent up to now is 48.0 secs Computing kpt #: 45 total cpu time spent up to now is 49.0 secs Computing kpt #: 46 total cpu time spent up to now is 50.0 secs Computing kpt #: 47 total cpu time spent up to now is 51.0 secs Computing kpt #: 48 total cpu time spent up to now is 51.9 secs Computing kpt #: 49 total cpu time spent up to now is 52.9 secs Computing kpt #: 50 total cpu time spent up to now is 53.9 secs Computing kpt #: 51 total cpu time spent up to now is 54.8 secs Computing kpt #: 52 total cpu time spent up to now is 55.8 secs Computing kpt #: 53 total cpu time spent up to now is 56.7 secs Computing kpt #: 54 total cpu time spent up to now is 57.7 secs Computing kpt #: 55 total cpu time spent up to now is 58.6 secs Computing kpt #: 56 total cpu time spent up to now is 59.6 secs Computing kpt #: 57 total cpu time spent up to now is 60.5 secs Computing kpt #: 58 total cpu time spent up to now is 61.4 secs Computing kpt #: 59 total cpu time spent up to now is 62.4 secs Computing kpt #: 60 total cpu time spent up to now is 63.3 secs Computing kpt #: 61 total cpu time spent up to now is 64.2 secs Computing kpt #: 62 total cpu time spent up to now is 65.2 secs Computing kpt #: 63 total cpu time spent up to now is 66.1 secs Computing kpt #: 64 total cpu time spent up to now is 67.1 secs Computing kpt #: 65 total cpu time spent up to now is 68.0 secs Computing kpt #: 66 total cpu time spent up to now is 69.0 secs Computing kpt #: 67 total cpu time spent up to now is 70.0 secs Computing kpt #: 68 total cpu time spent up to now is 70.9 secs Computing kpt #: 69 total cpu time spent up to now is 71.9 secs Computing kpt #: 70 total cpu time spent up to now is 72.9 secs Computing kpt #: 71 total cpu time spent up to now is 74.0 secs Computing kpt #: 72 total cpu time spent up to now is 75.0 secs Computing kpt #: 73 total cpu time spent up to now is 76.0 secs Computing kpt #: 74 total cpu time spent up to now is 77.0 secs Computing kpt #: 75 total cpu time spent up to now is 78.0 secs Computing kpt #: 76 total cpu time spent up to now is 79.0 secs Computing kpt #: 77 total cpu time spent up to now is 80.1 secs Computing kpt #: 78 total cpu time spent up to now is 81.1 secs Computing kpt #: 79 total cpu time spent up to now is 82.2 secs Computing kpt #: 80 total cpu time spent up to now is 83.2 secs Computing kpt #: 81 total cpu time spent up to now is 84.3 secs Computing kpt #: 82 total cpu time spent up to now is 85.3 secs Computing kpt #: 83 total cpu time spent up to now is 86.4 secs Computing kpt #: 84 total cpu time spent up to now is 87.4 secs Computing kpt #: 85 total cpu time spent up to now is 88.4 secs Computing kpt #: 86 total cpu time spent up to now is 89.4 secs Computing kpt #: 87 total cpu time spent up to now is 90.4 secs Computing kpt #: 88 total cpu time spent up to now is 91.4 secs Computing kpt #: 89 total cpu time spent up to now is 92.3 secs Computing kpt #: 90 total cpu time spent up to now is 93.3 secs Computing kpt #: 91 total cpu time spent up to now is 94.2 secs Computing kpt #: 92 total cpu time spent up to now is 95.2 secs Computing kpt #: 93 total cpu time spent up to now is 96.1 secs Computing kpt #: 94 total cpu time spent up to now is 97.1 secs Computing kpt #: 95 total cpu time spent up to now is 98.0 secs Computing kpt #: 96 total cpu time spent up to now is 99.0 secs Computing kpt #: 97 total cpu time spent up to now is 99.9 secs Computing kpt #: 98 total cpu time spent up to now is 100.9 secs Computing kpt #: 99 total cpu time spent up to now is 101.9 secs Computing kpt #: 100 total cpu time spent up to now is 102.8 secs Computing kpt #: 101 total cpu time spent up to now is 103.9 secs Computing kpt #: 102 total cpu time spent up to now is 104.9 secs Computing kpt #: 103 total cpu time spent up to now is 105.9 secs Computing kpt #: 104 total cpu time spent up to now is 107.0 secs Computing kpt #: 105 total cpu time spent up to now is 108.1 secs Computing kpt #: 106 total cpu time spent up to now is 109.1 secs Computing kpt #: 107 total cpu time spent up to now is 110.2 secs Computing kpt #: 108 total cpu time spent up to now is 111.3 secs Computing kpt #: 109 total cpu time spent up to now is 112.4 secs Computing kpt #: 110 total cpu time spent up to now is 113.5 secs Computing kpt #: 111 total cpu time spent up to now is 114.7 secs Computing kpt #: 112 total cpu time spent up to now is 115.9 secs Computing kpt #: 113 total cpu time spent up to now is 117.1 secs Computing kpt #: 114 total cpu time spent up to now is 118.3 secs Computing kpt #: 115 total cpu time spent up to now is 119.5 secs Computing kpt #: 116 total cpu time spent up to now is 120.6 secs Computing kpt #: 117 total cpu time spent up to now is 121.8 secs Computing kpt #: 118 total cpu time spent up to now is 123.0 secs Computing kpt #: 119 total cpu time spent up to now is 124.2 secs Computing kpt #: 120 total cpu time spent up to now is 125.5 secs Computing kpt #: 121 total cpu time spent up to now is 126.8 secs Computing kpt #: 122 total cpu time spent up to now is 128.2 secs Computing kpt #: 123 total cpu time spent up to now is 129.5 secs Computing kpt #: 124 total cpu time spent up to now is 130.9 secs Computing kpt #: 125 total cpu time spent up to now is 132.2 secs Computing kpt #: 126 total cpu time spent up to now is 133.6 secs Computing kpt #: 127 total cpu time spent up to now is 135.0 secs Computing kpt #: 128 total cpu time spent up to now is 137.1 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 139.3 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 141.6 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 143.8 secs Computing kpt #: 132 total cpu time spent up to now is 146.0 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 148.2 secs Computing kpt #: 134 total cpu time spent up to now is 150.3 secs Computing kpt #: 135 total cpu time spent up to now is 152.5 secs Computing kpt #: 136 total cpu time spent up to now is 154.7 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 157.0 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 159.3 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 161.6 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 163.8 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 166.0 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 168.2 secs Computing kpt #: 143 total cpu time spent up to now is 169.6 secs Computing kpt #: 144 total cpu time spent up to now is 171.0 secs Computing kpt #: 145 total cpu time spent up to now is 172.4 secs Computing kpt #: 146 total cpu time spent up to now is 173.7 secs Computing kpt #: 147 total cpu time spent up to now is 175.1 secs Computing kpt #: 148 total cpu time spent up to now is 176.3 secs Computing kpt #: 149 total cpu time spent up to now is 177.6 secs Computing kpt #: 150 total cpu time spent up to now is 179.0 secs Computing kpt #: 151 total cpu time spent up to now is 180.3 secs Computing kpt #: 152 total cpu time spent up to now is 181.6 secs Computing kpt #: 153 total cpu time spent up to now is 183.2 secs Computing kpt #: 154 total cpu time spent up to now is 184.9 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 187.1 secs Computing kpt #: 156 total cpu time spent up to now is 188.7 secs Computing kpt #: 157 total cpu time spent up to now is 190.1 secs Computing kpt #: 158 total cpu time spent up to now is 191.5 secs Computing kpt #: 159 total cpu time spent up to now is 192.8 secs Computing kpt #: 160 total cpu time spent up to now is 194.0 secs Computing kpt #: 161 total cpu time spent up to now is 195.2 secs Computing kpt #: 162 total cpu time spent up to now is 196.6 secs Computing kpt #: 163 total cpu time spent up to now is 197.9 secs Computing kpt #: 164 total cpu time spent up to now is 199.2 secs Computing kpt #: 165 total cpu time spent up to now is 200.6 secs Computing kpt #: 166 total cpu time spent up to now is 201.9 secs Computing kpt #: 167 total cpu time spent up to now is 203.2 secs Computing kpt #: 168 total cpu time spent up to now is 204.5 secs Computing kpt #: 169 total cpu time spent up to now is 205.9 secs Computing kpt #: 170 total cpu time spent up to now is 207.3 secs Computing kpt #: 171 total cpu time spent up to now is 208.6 secs Computing kpt #: 172 total cpu time spent up to now is 209.8 secs Computing kpt #: 173 total cpu time spent up to now is 211.1 secs Computing kpt #: 174 total cpu time spent up to now is 212.3 secs Computing kpt #: 175 total cpu time spent up to now is 213.5 secs Computing kpt #: 176 total cpu time spent up to now is 214.7 secs Computing kpt #: 177 total cpu time spent up to now is 215.9 secs Computing kpt #: 178 total cpu time spent up to now is 217.2 secs Computing kpt #: 179 total cpu time spent up to now is 218.4 secs Computing kpt #: 180 total cpu time spent up to now is 219.7 secs Computing kpt #: 181 total cpu time spent up to now is 221.0 secs Computing kpt #: 182 total cpu time spent up to now is 222.4 secs Computing kpt #: 183 total cpu time spent up to now is 224.7 secs Computing kpt #: 184 total cpu time spent up to now is 228.0 secs Computing kpt #: 185 total cpu time spent up to now is 229.3 secs Computing kpt #: 186 total cpu time spent up to now is 230.5 secs Computing kpt #: 187 total cpu time spent up to now is 231.6 secs Computing kpt #: 188 total cpu time spent up to now is 232.8 secs Computing kpt #: 189 total cpu time spent up to now is 233.9 secs Computing kpt #: 190 total cpu time spent up to now is 235.0 secs Computing kpt #: 191 total cpu time spent up to now is 236.0 secs Computing kpt #: 192 total cpu time spent up to now is 237.1 secs Computing kpt #: 193 total cpu time spent up to now is 238.1 secs Computing kpt #: 194 total cpu time spent up to now is 239.1 secs Computing kpt #: 195 total cpu time spent up to now is 240.1 secs Computing kpt #: 196 total cpu time spent up to now is 241.1 secs Computing kpt #: 197 total cpu time spent up to now is 242.1 secs Computing kpt #: 198 total cpu time spent up to now is 243.1 secs Computing kpt #: 199 total cpu time spent up to now is 244.1 secs Computing kpt #: 200 total cpu time spent up to now is 245.0 secs Computing kpt #: 201 total cpu time spent up to now is 246.0 secs Computing kpt #: 202 total cpu time spent up to now is 247.0 secs Computing kpt #: 203 total cpu time spent up to now is 247.9 secs Computing kpt #: 204 total cpu time spent up to now is 248.9 secs Computing kpt #: 205 total cpu time spent up to now is 249.8 secs Computing kpt #: 206 total cpu time spent up to now is 250.8 secs Computing kpt #: 207 total cpu time spent up to now is 251.7 secs Computing kpt #: 208 total cpu time spent up to now is 252.7 secs Computing kpt #: 209 total cpu time spent up to now is 253.6 secs Computing kpt #: 210 total cpu time spent up to now is 254.4 secs Computing kpt #: 211 total cpu time spent up to now is 255.3 secs Computing kpt #: 212 total cpu time spent up to now is 256.2 secs Computing kpt #: 213 total cpu time spent up to now is 257.0 secs Computing kpt #: 214 total cpu time spent up to now is 257.9 secs Computing kpt #: 215 total cpu time spent up to now is 258.7 secs Computing kpt #: 216 total cpu time spent up to now is 259.6 secs Computing kpt #: 217 total cpu time spent up to now is 260.4 secs Computing kpt #: 218 total cpu time spent up to now is 261.3 secs Computing kpt #: 219 total cpu time spent up to now is 262.1 secs Computing kpt #: 220 total cpu time spent up to now is 263.0 secs Computing kpt #: 221 total cpu time spent up to now is 263.9 secs Computing kpt #: 222 total cpu time spent up to now is 264.7 secs Computing kpt #: 223 total cpu time spent up to now is 265.7 secs Computing kpt #: 224 total cpu time spent up to now is 266.7 secs Computing kpt #: 225 total cpu time spent up to now is 267.6 secs Computing kpt #: 226 total cpu time spent up to now is 268.6 secs Computing kpt #: 227 total cpu time spent up to now is 269.6 secs Computing kpt #: 228 total cpu time spent up to now is 270.5 secs Computing kpt #: 229 total cpu time spent up to now is 271.5 secs Computing kpt #: 230 total cpu time spent up to now is 272.5 secs Computing kpt #: 231 total cpu time spent up to now is 273.5 secs Computing kpt #: 232 total cpu time spent up to now is 274.5 secs Computing kpt #: 233 total cpu time spent up to now is 275.5 secs Computing kpt #: 234 total cpu time spent up to now is 276.5 secs Computing kpt #: 235 total cpu time spent up to now is 277.5 secs Computing kpt #: 236 total cpu time spent up to now is 278.6 secs Computing kpt #: 237 total cpu time spent up to now is 279.6 secs Computing kpt #: 238 total cpu time spent up to now is 280.7 secs Computing kpt #: 239 total cpu time spent up to now is 281.8 secs Computing kpt #: 240 total cpu time spent up to now is 282.9 secs Computing kpt #: 241 total cpu time spent up to now is 284.0 secs Computing kpt #: 242 total cpu time spent up to now is 285.2 secs Computing kpt #: 243 total cpu time spent up to now is 286.4 secs Computing kpt #: 244 total cpu time spent up to now is 287.5 secs Computing kpt #: 245 total cpu time spent up to now is 288.7 secs Computing kpt #: 246 total cpu time spent up to now is 289.9 secs Computing kpt #: 247 total cpu time spent up to now is 291.0 secs Computing kpt #: 248 total cpu time spent up to now is 292.2 secs Computing kpt #: 249 total cpu time spent up to now is 293.3 secs Computing kpt #: 250 total cpu time spent up to now is 294.4 secs Computing kpt #: 251 total cpu time spent up to now is 295.6 secs Computing kpt #: 252 total cpu time spent up to now is 296.7 secs Computing kpt #: 253 total cpu time spent up to now is 297.8 secs Computing kpt #: 254 total cpu time spent up to now is 299.0 secs Computing kpt #: 255 total cpu time spent up to now is 300.0 secs Computing kpt #: 256 total cpu time spent up to now is 301.1 secs Computing kpt #: 257 total cpu time spent up to now is 302.1 secs Computing kpt #: 258 total cpu time spent up to now is 303.2 secs Computing kpt #: 259 total cpu time spent up to now is 304.2 secs Computing kpt #: 260 total cpu time spent up to now is 305.2 secs Computing kpt #: 261 total cpu time spent up to now is 306.1 secs Computing kpt #: 262 total cpu time spent up to now is 307.1 secs Computing kpt #: 263 total cpu time spent up to now is 308.1 secs Computing kpt #: 264 total cpu time spent up to now is 309.1 secs Computing kpt #: 265 total cpu time spent up to now is 310.1 secs Computing kpt #: 266 total cpu time spent up to now is 311.0 secs Computing kpt #: 267 total cpu time spent up to now is 312.0 secs Computing kpt #: 268 total cpu time spent up to now is 313.0 secs Computing kpt #: 269 total cpu time spent up to now is 313.9 secs Computing kpt #: 270 total cpu time spent up to now is 314.9 secs Computing kpt #: 271 total cpu time spent up to now is 315.8 secs Computing kpt #: 272 total cpu time spent up to now is 316.6 secs Computing kpt #: 273 total cpu time spent up to now is 317.5 secs Computing kpt #: 274 total cpu time spent up to now is 318.3 secs Computing kpt #: 275 total cpu time spent up to now is 319.2 secs Computing kpt #: 276 total cpu time spent up to now is 320.1 secs Computing kpt #: 277 total cpu time spent up to now is 321.0 secs Computing kpt #: 278 total cpu time spent up to now is 321.9 secs Computing kpt #: 279 total cpu time spent up to now is 322.8 secs Computing kpt #: 280 total cpu time spent up to now is 323.7 secs Computing kpt #: 281 total cpu time spent up to now is 324.6 secs Computing kpt #: 282 total cpu time spent up to now is 325.5 secs Computing kpt #: 283 total cpu time spent up to now is 326.4 secs Computing kpt #: 284 total cpu time spent up to now is 327.3 secs Computing kpt #: 285 total cpu time spent up to now is 328.2 secs Computing kpt #: 286 total cpu time spent up to now is 329.2 secs Computing kpt #: 287 total cpu time spent up to now is 330.1 secs Computing kpt #: 288 total cpu time spent up to now is 331.0 secs Computing kpt #: 289 total cpu time spent up to now is 331.9 secs Computing kpt #: 290 total cpu time spent up to now is 332.8 secs Computing kpt #: 291 total cpu time spent up to now is 333.7 secs Computing kpt #: 292 total cpu time spent up to now is 334.6 secs Computing kpt #: 293 total cpu time spent up to now is 335.5 secs Computing kpt #: 294 total cpu time spent up to now is 336.4 secs Computing kpt #: 295 total cpu time spent up to now is 337.3 secs Computing kpt #: 296 total cpu time spent up to now is 338.3 secs Computing kpt #: 297 total cpu time spent up to now is 339.2 secs Computing kpt #: 298 total cpu time spent up to now is 340.2 secs Computing kpt #: 299 total cpu time spent up to now is 341.2 secs Computing kpt #: 300 total cpu time spent up to now is 342.3 secs Computing kpt #: 301 total cpu time spent up to now is 343.3 secs Computing kpt #: 302 total cpu time spent up to now is 344.4 secs Computing kpt #: 303 total cpu time spent up to now is 345.4 secs Computing kpt #: 304 total cpu time spent up to now is 346.5 secs Computing kpt #: 305 total cpu time spent up to now is 347.6 secs Computing kpt #: 306 total cpu time spent up to now is 348.6 secs Computing kpt #: 307 total cpu time spent up to now is 349.7 secs Computing kpt #: 308 total cpu time spent up to now is 350.8 secs Computing kpt #: 309 total cpu time spent up to now is 351.9 secs Computing kpt #: 310 total cpu time spent up to now is 353.1 secs Computing kpt #: 311 total cpu time spent up to now is 354.3 secs Computing kpt #: 312 total cpu time spent up to now is 355.5 secs Computing kpt #: 313 total cpu time spent up to now is 356.8 secs Computing kpt #: 314 total cpu time spent up to now is 358.1 secs Computing kpt #: 315 total cpu time spent up to now is 359.3 secs Computing kpt #: 316 total cpu time spent up to now is 360.5 secs Computing kpt #: 317 total cpu time spent up to now is 361.7 secs Computing kpt #: 318 total cpu time spent up to now is 362.9 secs Computing kpt #: 319 total cpu time spent up to now is 364.0 secs Computing kpt #: 320 total cpu time spent up to now is 365.2 secs Computing kpt #: 321 total cpu time spent up to now is 366.4 secs Computing kpt #: 322 total cpu time spent up to now is 367.6 secs Computing kpt #: 323 total cpu time spent up to now is 368.8 secs Computing kpt #: 324 total cpu time spent up to now is 369.9 secs Computing kpt #: 325 total cpu time spent up to now is 371.0 secs Computing kpt #: 326 total cpu time spent up to now is 372.2 secs Computing kpt #: 327 total cpu time spent up to now is 373.4 secs Computing kpt #: 328 total cpu time spent up to now is 374.5 secs Computing kpt #: 329 total cpu time spent up to now is 375.6 secs Computing kpt #: 330 total cpu time spent up to now is 376.7 secs Computing kpt #: 331 total cpu time spent up to now is 377.8 secs Computing kpt #: 332 total cpu time spent up to now is 378.9 secs Computing kpt #: 333 total cpu time spent up to now is 380.0 secs Computing kpt #: 334 total cpu time spent up to now is 381.0 secs Computing kpt #: 335 total cpu time spent up to now is 382.1 secs Computing kpt #: 336 total cpu time spent up to now is 383.1 secs Computing kpt #: 337 total cpu time spent up to now is 384.1 secs Computing kpt #: 338 total cpu time spent up to now is 385.1 secs Computing kpt #: 339 total cpu time spent up to now is 386.1 secs Computing kpt #: 340 total cpu time spent up to now is 387.1 secs Computing kpt #: 341 total cpu time spent up to now is 388.0 secs Computing kpt #: 342 total cpu time spent up to now is 388.9 secs Computing kpt #: 343 total cpu time spent up to now is 389.8 secs Computing kpt #: 344 total cpu time spent up to now is 390.7 secs Computing kpt #: 345 total cpu time spent up to now is 391.6 secs Computing kpt #: 346 total cpu time spent up to now is 392.5 secs Computing kpt #: 347 total cpu time spent up to now is 393.4 secs Computing kpt #: 348 total cpu time spent up to now is 394.3 secs Computing kpt #: 349 total cpu time spent up to now is 395.1 secs Computing kpt #: 350 total cpu time spent up to now is 395.9 secs Computing kpt #: 351 total cpu time spent up to now is 396.8 secs Computing kpt #: 352 total cpu time spent up to now is 397.6 secs Computing kpt #: 353 total cpu time spent up to now is 398.5 secs Computing kpt #: 354 total cpu time spent up to now is 399.4 secs Computing kpt #: 355 total cpu time spent up to now is 400.3 secs Computing kpt #: 356 total cpu time spent up to now is 401.3 secs Computing kpt #: 357 total cpu time spent up to now is 402.2 secs Computing kpt #: 358 total cpu time spent up to now is 403.1 secs Computing kpt #: 359 total cpu time spent up to now is 404.1 secs Computing kpt #: 360 total cpu time spent up to now is 405.0 secs Computing kpt #: 361 total cpu time spent up to now is 406.0 secs Computing kpt #: 362 total cpu time spent up to now is 406.9 secs Computing kpt #: 363 total cpu time spent up to now is 407.8 secs Computing kpt #: 364 total cpu time spent up to now is 408.8 secs Computing kpt #: 365 total cpu time spent up to now is 409.7 secs Computing kpt #: 366 total cpu time spent up to now is 410.7 secs Computing kpt #: 367 total cpu time spent up to now is 411.6 secs Computing kpt #: 368 total cpu time spent up to now is 412.6 secs Computing kpt #: 369 total cpu time spent up to now is 413.5 secs Computing kpt #: 370 total cpu time spent up to now is 414.5 secs Computing kpt #: 371 total cpu time spent up to now is 415.4 secs Computing kpt #: 372 total cpu time spent up to now is 416.4 secs Computing kpt #: 373 total cpu time spent up to now is 417.4 secs Computing kpt #: 374 total cpu time spent up to now is 418.3 secs Computing kpt #: 375 total cpu time spent up to now is 419.3 secs Computing kpt #: 376 total cpu time spent up to now is 420.3 secs Computing kpt #: 377 total cpu time spent up to now is 421.3 secs Computing kpt #: 378 total cpu time spent up to now is 422.3 secs Computing kpt #: 379 total cpu time spent up to now is 423.3 secs Computing kpt #: 380 total cpu time spent up to now is 424.3 secs Computing kpt #: 381 total cpu time spent up to now is 425.3 secs Computing kpt #: 382 total cpu time spent up to now is 426.4 secs Computing kpt #: 383 total cpu time spent up to now is 427.4 secs Computing kpt #: 384 total cpu time spent up to now is 428.5 secs Computing kpt #: 385 total cpu time spent up to now is 429.6 secs Computing kpt #: 386 total cpu time spent up to now is 430.7 secs Computing kpt #: 387 total cpu time spent up to now is 431.8 secs Computing kpt #: 388 total cpu time spent up to now is 432.9 secs Computing kpt #: 389 total cpu time spent up to now is 434.0 secs Computing kpt #: 390 total cpu time spent up to now is 435.1 secs Computing kpt #: 391 total cpu time spent up to now is 436.3 secs Computing kpt #: 392 total cpu time spent up to now is 437.4 secs Computing kpt #: 393 total cpu time spent up to now is 438.6 secs Computing kpt #: 394 total cpu time spent up to now is 439.8 secs Computing kpt #: 395 total cpu time spent up to now is 441.0 secs Computing kpt #: 396 total cpu time spent up to now is 442.2 secs Computing kpt #: 397 total cpu time spent up to now is 443.4 secs Computing kpt #: 398 total cpu time spent up to now is 444.5 secs Computing kpt #: 399 total cpu time spent up to now is 445.6 secs Computing kpt #: 400 total cpu time spent up to now is 446.8 secs ethr = 2.50E-11, avg # of iterations = 32.1 total cpu time spent up to now is 446.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3915 PWs) bands (ev): -3.7237 -3.7237 -0.8813 -0.8813 -0.1144 -0.1144 1.3047 1.3047 3.3986 3.3986 4.4808 4.4808 5.8101 5.8101 6.2167 6.2167 6.3401 6.3401 6.3848 6.3848 6.5775 6.5775 6.6767 6.6767 6.8212 6.8212 6.9653 6.9653 7.0552 7.0552 7.1110 7.1110 7.1667 7.1667 7.4242 7.4242 7.4482 7.4482 8.9283 8.9283 10.4908 10.4908 11.7299 11.7299 12.4751 12.4751 12.6135 12.6135 k = 0.0122-0.0000-0.0000 ( 3919 PWs) bands (ev): -3.7223 -3.7223 -0.8810 -0.8810 -0.1133 -0.1133 1.3053 1.3053 3.4001 3.4001 4.4806 4.4806 5.8104 5.8104 6.2168 6.2168 6.3325 6.3325 6.3842 6.3842 6.5751 6.5751 6.6846 6.6846 6.8159 6.8159 6.9638 6.9638 7.0530 7.0530 7.1100 7.1100 7.1647 7.1647 7.4267 7.4267 7.4514 7.4514 8.9312 8.9312 10.4824 10.4824 11.7094 11.7094 12.4740 12.4740 12.6222 12.6222 k = 0.0244-0.0000-0.0000 ( 3921 PWs) bands (ev): -3.7184 -3.7184 -0.8800 -0.8800 -0.1100 -0.1100 1.3070 1.3070 3.4044 3.4044 4.4802 4.4802 5.8113 5.8113 6.2171 6.2171 6.3116 6.3116 6.3825 6.3825 6.5671 6.5671 6.7056 6.7056 6.8012 6.8012 6.9597 6.9597 7.0473 7.0473 7.1077 7.1077 7.1606 7.1606 7.4251 7.4251 7.4672 7.4672 8.9398 8.9398 10.4577 10.4577 11.6519 11.6519 12.4708 12.4708 12.6470 12.6470 k = 0.0366-0.0000-0.0000 ( 3915 PWs) bands (ev): -3.7117 -3.7117 -0.8783 -0.8783 -0.1043 -0.1043 1.3098 1.3098 3.4116 3.4116 4.4795 4.4795 5.8129 5.8129 6.2174 6.2174 6.2813 6.2813 6.3797 6.3797 6.5511 6.5511 6.7290 6.7290 6.7856 6.7856 6.9543 6.9543 7.0405 7.0405 7.1057 7.1057 7.1568 7.1568 7.4156 7.4156 7.4936 7.4936 8.9536 8.9536 10.4177 10.4177 11.5660 11.5660 12.4639 12.4639 12.6729 12.6729 k = 0.0488-0.0000-0.0000 ( 3907 PWs) bands (ev): -3.7024 -3.7024 -0.8761 -0.8761 -0.0965 -0.0965 1.3138 1.3138 3.4216 3.4216 4.4782 4.4782 5.8151 5.8151 6.2173 6.2173 6.2453 6.2453 6.3760 6.3760 6.5222 6.5222 6.7260 6.7260 6.8000 6.8000 6.9492 6.9492 7.0345 7.0345 7.1046 7.1046 7.1539 7.1539 7.4006 7.4006 7.5233 7.5233 8.9720 8.9720 10.3641 10.3641 11.4609 11.4609 12.4463 12.4463 12.6202 12.6202 k = 0.0610-0.0000-0.0000 ( 3903 PWs) bands (ev): -3.6905 -3.6905 -0.8733 -0.8733 -0.0864 -0.0864 1.3188 1.3188 3.4344 3.4344 4.4762 4.4762 5.8177 5.8177 6.2019 6.2019 6.2202 6.2202 6.3717 6.3717 6.4764 6.4764 6.7063 6.7063 6.8395 6.8395 6.9453 6.9453 7.0301 7.0301 7.1046 7.1046 7.1519 7.1519 7.3809 7.3809 7.5526 7.5526 8.9941 8.9941 10.2989 10.2989 11.3440 11.3440 12.3957 12.3957 12.5450 12.5450 k = 0.0732-0.0000-0.0000 ( 3903 PWs) bands (ev): -3.6759 -3.6759 -0.8700 -0.8700 -0.0742 -0.0742 1.3248 1.3248 3.4500 3.4500 4.4734 4.4734 5.8208 5.8208 6.1592 6.1592 6.2190 6.2190 6.3669 6.3669 6.4148 6.4148 6.6897 6.6897 6.8843 6.8843 6.9432 6.9432 7.0271 7.0271 7.1057 7.1057 7.1504 7.1504 7.3571 7.3571 7.5796 7.5796 9.0190 9.0190 10.2241 10.2241 11.2205 11.2205 12.2913 12.2913 12.5000 12.5000 k = 0.0854-0.0000-0.0000 ( 3905 PWs) bands (ev): -3.6587 -3.6587 -0.8664 -0.8664 -0.0597 -0.0597 1.3319 1.3319 3.4683 3.4683 4.4693 4.4693 5.8244 5.8244 6.1125 6.1125 6.2182 6.2182 6.3428 6.3428 6.3621 6.3621 6.6775 6.6775 6.9223 6.9223 6.9502 6.9502 7.0259 7.0259 7.1079 7.1079 7.1493 7.1493 7.3298 7.3298 7.6036 7.6036 9.0459 9.0459 10.1419 10.1419 11.0940 11.0940 12.1547 12.1547 12.4679 12.4679 k = 0.0976-0.0000-0.0000 ( 3909 PWs) bands (ev): -3.6389 -3.6389 -0.8624 -0.8624 -0.0431 -0.0431 1.3399 1.3399 3.4892 3.4892 4.4637 4.4637 5.8283 5.8283 6.0620 6.0620 6.2165 6.2165 6.2670 6.2670 6.3572 6.3572 6.6674 6.6674 6.9303 6.9303 6.9838 6.9838 7.0290 7.0290 7.1111 7.1111 7.1491 7.1491 7.3006 7.3006 7.6244 7.6244 9.0741 9.0741 10.0541 10.0541 10.9673 10.9673 12.0038 12.0038 12.4320 12.4320 k = 0.1098-0.0000-0.0000 ( 3913 PWs) bands (ev): -3.6165 -3.6165 -0.8584 -0.8584 -0.0243 -0.0243 1.3488 1.3488 3.5126 3.5126 4.4562 4.4562 5.8326 5.8326 6.0066 6.0066 6.1922 6.1922 6.2143 6.2143 6.3523 6.3523 6.6576 6.6576 6.9298 6.9298 7.0064 7.0064 7.0481 7.0481 7.1142 7.1142 7.1510 7.1510 7.2729 7.2729 7.6421 7.6421 9.1028 9.1028 9.9623 9.9623 10.8422 10.8422 11.8456 11.8456 12.3867 12.3867 k = 0.1220-0.0000-0.0000 ( 3899 PWs) bands (ev): -3.5915 -3.5915 -0.8543 -0.8543 -0.0033 -0.0033 1.3585 1.3585 3.5384 3.5384 4.4462 4.4462 5.8370 5.8370 5.9455 5.9455 6.1246 6.1246 6.2097 6.2097 6.3476 6.3476 6.6469 6.6469 6.9283 6.9283 7.0102 7.0102 7.0753 7.0753 7.1149 7.1149 7.1563 7.1563 7.2556 7.2556 7.6570 7.6570 9.1315 9.1315 9.8681 9.8681 10.7203 10.7203 11.6833 11.6833 12.3295 12.3295 k = 0.1341-0.0000-0.0000 ( 3901 PWs) bands (ev): -3.5639 -3.5639 -0.8503 -0.8503 0.0197 0.0197 1.3689 1.3689 3.5664 3.5664 4.4335 4.4335 5.8411 5.8411 5.8798 5.8798 6.0646 6.0646 6.2034 6.2034 6.3423 6.3423 6.6347 6.6347 6.9266 6.9266 7.0095 7.0095 7.0799 7.0799 7.1174 7.1174 7.1599 7.1599 7.2656 7.2656 7.6694 7.6694 9.1597 9.1597 9.7728 9.7728 10.6026 10.6026 11.5189 11.5189 12.2602 12.2602 k = 0.1463-0.0000-0.0000 ( 3913 PWs) bands (ev): -3.5338 -3.5338 -0.8467 -0.8467 0.0447 0.0447 1.3800 1.3800 3.5963 3.5963 4.4175 4.4175 5.8095 5.8095 5.8477 5.8477 6.0118 6.0118 6.1949 6.1949 6.3360 6.3360 6.6206 6.6206 6.9248 6.9248 7.0065 7.0065 7.0554 7.0554 7.1273 7.1273 7.1591 7.1591 7.3042 7.3042 7.6794 7.6794 9.1870 9.1870 9.6773 9.6773 10.4904 10.4904 11.3537 11.3537 12.1794 12.1794 k = 0.1585-0.0000-0.0000 ( 3911 PWs) bands (ev): -3.5012 -3.5012 -0.8436 -0.8436 0.0718 0.0718 1.3916 1.3916 3.6277 3.6277 4.3981 4.3981 5.7430 5.7430 5.8518 5.8518 5.9646 5.9646 6.1837 6.1837 6.3276 6.3276 6.6049 6.6049 6.9229 6.9229 6.9961 6.9961 7.0237 7.0237 7.1367 7.1367 7.1604 7.1604 7.3574 7.3574 7.6876 7.6876 9.2128 9.2128 9.5829 9.5829 10.3842 10.3842 11.1888 11.1888 12.0887 12.0887 k = 0.1707-0.0000-0.0000 ( 3903 PWs) bands (ev): -3.4660 -3.4660 -0.8413 -0.8413 0.1009 0.1009 1.4037 1.4037 3.6602 3.6602 4.3755 4.3755 5.6804 5.6804 5.8563 5.8563 5.9215 5.9215 6.1694 6.1694 6.3157 6.3157 6.5880 6.5880 6.9207 6.9207 6.9613 6.9613 7.0109 7.0109 7.1419 7.1419 7.1677 7.1677 7.4171 7.4171 7.6943 7.6943 9.2356 9.2356 9.4915 9.4915 10.2848 10.2848 11.0250 11.0250 11.9902 11.9902 k = 0.1829-0.0000-0.0000 ( 3907 PWs) bands (ev): -3.4284 -3.4284 -0.8399 -0.8399 0.1319 0.1319 1.4161 1.4161 3.6929 3.6929 4.3501 4.3501 5.6242 5.6242 5.8601 5.8601 5.8817 5.8817 6.1514 6.1514 6.2986 6.2986 6.5704 6.5704 6.9104 6.9104 6.9252 6.9252 7.0062 7.0062 7.1437 7.1437 7.1799 7.1799 7.4799 7.4799 7.6999 7.6999 9.2501 9.2501 9.4086 9.4086 10.1927 10.1927 10.8630 10.8630 11.8863 11.8863 k = 0.1951-0.0000-0.0000 ( 3911 PWs) bands (ev): -3.3884 -3.3884 -0.8398 -0.8398 0.1648 0.1648 1.4287 1.4287 3.7246 3.7246 4.3233 4.3233 5.5759 5.5759 5.8416 5.8416 5.8660 5.8660 6.1289 6.1289 6.2746 6.2746 6.5532 6.5532 6.8702 6.8702 6.9199 6.9199 7.0027 7.0027 7.1442 7.1442 7.1946 7.1946 7.5438 7.5438 7.7054 7.7054 9.2343 9.2343 9.3563 9.3563 10.1085 10.1085 10.7034 10.7034 11.7791 11.7791 k = 0.2073-0.0000-0.0000 ( 3911 PWs) bands (ev): -3.3459 -3.3459 -0.8412 -0.8412 0.1995 0.1995 1.4413 1.4413 3.7537 3.7537 4.2973 4.2973 5.5358 5.5358 5.8057 5.8057 5.8692 5.8692 6.1007 6.1007 6.2427 6.2427 6.5371 6.5371 6.8307 6.8307 6.9182 6.9182 6.9994 6.9994 7.1445 7.1445 7.2106 7.2106 7.6057 7.6057 7.7133 7.7133 9.1695 9.1695 9.3534 9.3534 10.0324 10.0324 10.5466 10.5466 11.6707 11.6707 k = 0.2195-0.0000-0.0000 ( 3911 PWs) bands (ev): -3.3011 -3.3011 -0.8443 -0.8443 0.2360 0.2360 1.4538 1.4538 3.7777 3.7777 4.2752 4.2752 5.5041 5.5041 5.7711 5.7711 5.8721 5.8721 6.0652 6.0652 6.2030 6.2030 6.5229 6.5229 6.7969 6.7969 6.9170 6.9170 6.9963 6.9963 7.1449 7.1449 7.2274 7.2274 7.6554 7.6554 7.7336 7.7336 9.0855 9.0855 9.3701 9.3701 9.9648 9.9648 10.3933 10.3933 11.5626 11.5626 k = 0.2317-0.0000-0.0000 ( 3907 PWs) bands (ev): -3.2540 -3.2540 -0.8496 -0.8496 0.2741 0.2741 1.4660 1.4660 3.7935 3.7935 4.2613 4.2613 5.4802 5.4802 5.7379 5.7379 5.8738 5.8738 6.0206 6.0206 6.1575 6.1575 6.5109 6.5109 6.7694 6.7694 6.9162 6.9162 6.9937 6.9937 7.1455 7.1455 7.2447 7.2447 7.6776 7.6776 7.7811 7.7811 8.9970 8.9970 9.3917 9.3917 9.9056 9.9056 10.2438 10.2438 11.4564 11.4564 k = 0.2439-0.0000-0.0000 ( 3903 PWs) bands (ev): -3.2046 -3.2046 -0.8571 -0.8571 0.3139 0.3139 1.4778 1.4778 3.7983 3.7983 4.2595 4.2595 5.4634 5.4634 5.7063 5.7063 5.8730 5.8730 5.9663 5.9663 6.1095 6.1095 6.5011 6.5011 6.7478 6.7478 6.9156 6.9156 6.9918 6.9918 7.1463 7.1463 7.2622 7.2622 7.6832 7.6832 7.8449 7.8449 8.9071 8.9071 9.4148 9.4148 9.8551 9.8551 10.0988 10.0988 11.3530 11.3530 k = 0.2561-0.0000-0.0000 ( 3907 PWs) bands (ev): -3.1530 -3.1530 -0.8673 -0.8673 0.3551 0.3551 1.4889 1.4889 3.7911 3.7911 4.2721 4.2721 5.4526 5.4526 5.6765 5.6765 5.8593 5.8593 5.9116 5.9116 6.0611 6.0611 6.4937 6.4937 6.7308 6.7308 6.9150 6.9150 6.9911 6.9911 7.1474 7.1474 7.2797 7.2797 7.6833 7.6833 7.9132 7.9132 8.8168 8.8168 9.4384 9.4384 9.8129 9.8129 9.9591 9.9591 11.2534 11.2534 k = 0.2683-0.0000-0.0000 ( 3909 PWs) bands (ev): -3.0992 -3.0992 -0.8805 -0.8805 0.3978 0.3978 1.4991 1.4991 3.7735 3.7735 4.2986 4.2986 5.4465 5.4465 5.6486 5.6486 5.8002 5.8002 5.8905 5.8905 6.0135 6.0135 6.4885 6.4885 6.7168 6.7168 6.9141 6.9141 6.9924 6.9924 7.1488 7.1488 7.2971 7.2971 7.6809 7.6809 7.9826 7.9826 8.7264 8.7264 9.4617 9.4617 9.7781 9.7781 9.8266 9.8266 11.1582 11.1582 k = 0.2805-0.0000-0.0000 ( 3913 PWs) bands (ev): -3.0434 -3.0434 -0.8968 -0.8968 0.4419 0.4419 1.5083 1.5083 3.7489 3.7489 4.3369 4.3369 5.4438 5.4438 5.6233 5.6233 5.7159 5.7159 5.8840 5.8840 5.9676 5.9676 6.4857 6.4857 6.7043 6.7043 6.9125 6.9125 6.9962 6.9962 7.1507 7.1507 7.3145 7.3145 7.6770 7.6770 8.0512 8.0512 8.6364 8.6364 9.4830 9.4830 9.6980 9.6980 9.7562 9.7562 11.0677 11.0677 k = 0.2927-0.0000-0.0000 ( 3909 PWs) bands (ev): -2.9854 -2.9854 -0.9165 -0.9165 0.4871 0.4871 1.5163 1.5163 3.7209 3.7209 4.3841 4.3841 5.4424 5.4424 5.6012 5.6012 5.6237 5.6237 5.8740 5.8740 5.9269 5.9269 6.4851 6.4851 6.6918 6.6918 6.9097 6.9097 7.0032 7.0032 7.1530 7.1530 7.3316 7.3316 7.6720 7.6720 8.1171 8.1171 8.5476 8.5476 9.4917 9.4917 9.5942 9.5942 9.7377 9.7377 10.9823 10.9823 k = 0.3049-0.0000-0.0000 ( 3909 PWs) bands (ev): -2.9255 -2.9255 -0.9399 -0.9399 0.5334 0.5334 1.5227 1.5227 3.6926 3.6926 4.4380 4.4380 5.4391 5.4391 5.5269 5.5269 5.5852 5.5852 5.8475 5.8475 5.9027 5.9027 6.4866 6.4866 6.6784 6.6784 6.9055 6.9055 7.0134 7.0134 7.1559 7.1559 7.3484 7.3484 7.6660 7.6660 8.1771 8.1771 8.4619 8.4619 9.4348 9.4348 9.5643 9.5643 9.7273 9.7273 10.9018 10.9018 k = 0.3171-0.0000-0.0000 ( 3901 PWs) bands (ev): -2.8638 -2.8638 -0.9671 -0.9671 0.5807 0.5807 1.5274 1.5274 3.6662 3.6662 4.4966 4.4966 5.4109 5.4109 5.4506 5.4506 5.5748 5.5748 5.8068 5.8068 5.8928 5.8928 6.4901 6.4901 6.6631 6.6631 6.9001 6.9001 7.0269 7.0269 7.1593 7.1593 7.3650 7.3650 7.6591 7.6591 8.2214 8.2214 8.3871 8.3871 9.3421 9.3421 9.5817 9.5817 9.7240 9.7240 10.8263 10.8263 k = 0.3293-0.0000-0.0000 ( 3897 PWs) bands (ev): -2.8002 -2.8002 -0.9981 -0.9981 0.6289 0.6289 1.5302 1.5302 3.6434 3.6434 4.5585 4.5585 5.3178 5.3178 5.4334 5.4334 5.5712 5.5712 5.7635 5.7635 5.8864 5.8864 6.4955 6.4955 6.6453 6.6453 6.8934 6.8934 7.0432 7.0432 7.1633 7.1633 7.3814 7.3814 7.6517 7.6517 8.2168 8.2168 8.3538 8.3538 9.2566 9.2566 9.6063 9.6063 9.7270 9.7270 10.7555 10.7555 k = 0.3415-0.0000-0.0000 ( 3891 PWs) bands (ev): -2.7350 -2.7350 -1.0332 -1.0332 0.6777 0.6777 1.5308 1.5308 3.6255 3.6255 4.6219 4.6219 5.2181 5.2181 5.4196 5.4196 5.5724 5.5724 5.7231 5.7231 5.8802 5.8802 6.5026 6.5026 6.6246 6.6246 6.8856 6.8856 7.0619 7.0619 7.1681 7.1681 7.3974 7.3974 7.6437 7.6437 8.1540 8.1540 8.3672 8.3672 9.1881 9.1881 9.6330 9.6330 9.7358 9.7358 10.6891 10.6891 k = 0.3537-0.0000-0.0000 ( 3887 PWs) bands (ev): -2.6681 -2.6681 -1.0723 -1.0723 0.7270 0.7270 1.5291 1.5291 3.6132 3.6132 4.6840 4.6840 5.1211 5.1211 5.4039 5.4039 5.5725 5.5725 5.6908 5.6908 5.8732 5.8732 6.5110 6.5110 6.6009 6.6009 6.8767 6.8767 7.0827 7.0827 7.1737 7.1737 7.4130 7.4130 7.6355 7.6355 8.0754 8.0754 8.3805 8.3805 9.1426 9.1426 9.6606 9.6606 9.7495 9.7495 10.6269 10.6269 k = 0.3659-0.0000-0.0000 ( 3887 PWs) bands (ev): -2.5998 -2.5998 -1.1153 -1.1153 0.7766 0.7766 1.5248 1.5248 3.6072 3.6072 4.7381 4.7381 5.0342 5.0342 5.3870 5.3870 5.5628 5.5628 5.6748 5.6748 5.8651 5.8651 6.5196 6.5196 6.5748 6.5748 6.8668 6.8668 7.1049 7.1049 7.1803 7.1803 7.4281 7.4281 7.6273 7.6273 7.9948 7.9948 8.3763 8.3763 9.1245 9.1245 9.6890 9.6890 9.7673 9.7673 10.5683 10.5683 k = 0.3780-0.0000-0.0000 ( 3879 PWs) bands (ev): -2.5301 -2.5301 -1.1622 -1.1622 0.8264 0.8264 1.5178 1.5178 3.6079 3.6079 4.7621 4.7621 4.9796 4.9796 5.3701 5.3701 5.5399 5.5399 5.6778 5.6778 5.8558 5.8558 6.5214 6.5214 6.5532 6.5532 6.8562 6.8562 7.1283 7.1283 7.1879 7.1879 7.4420 7.4420 7.6199 7.6199 7.9161 7.9161 8.3517 8.3517 9.1338 9.1338 9.7178 9.7178 9.7881 9.7881 10.5129 10.5129 k = 0.3902-0.0000-0.0000 ( 3869 PWs) bands (ev): -2.4592 -2.4592 -1.2129 -1.2129 0.8762 0.8762 1.5080 1.5080 3.6155 3.6155 4.7244 4.7244 4.9886 4.9886 5.3537 5.3537 5.5106 5.5106 5.6926 5.6926 5.8454 5.8454 6.4966 6.4966 6.5552 6.5552 6.8447 6.8447 7.1523 7.1523 7.1969 7.1969 7.4541 7.4541 7.6140 7.6140 7.8409 7.8409 8.3102 8.3102 9.1661 9.1661 9.7469 9.7469 9.8106 9.8106 10.4605 10.4605 k = 0.4024-0.0000-0.0000 ( 3865 PWs) bands (ev): -2.3873 -2.3873 -1.2671 -1.2671 0.9256 0.9256 1.4952 1.4952 3.6301 3.6301 4.6473 4.6473 5.0383 5.0383 5.3385 5.3385 5.4811 5.4811 5.7128 5.7128 5.8342 5.8342 6.4583 6.4583 6.5676 6.5676 6.8323 6.8323 7.1764 7.1764 7.2075 7.2075 7.4630 7.4630 7.6106 7.6106 7.7708 7.7708 8.2575 8.2575 9.2150 9.2150 9.7760 9.7760 9.8336 9.8336 10.4106 10.4106 k = 0.4146-0.0000-0.0000 ( 3861 PWs) bands (ev): -2.3144 -2.3144 -1.3246 -1.3246 0.9746 0.9746 1.4793 1.4793 3.6516 3.6516 4.5591 4.5591 5.0996 5.0996 5.3248 5.3248 5.4548 5.4548 5.7337 5.7337 5.8242 5.8242 6.4145 6.4145 6.5825 6.5825 6.8191 6.8191 7.1997 7.1997 7.2208 7.2208 7.4672 7.4672 7.6095 7.6095 7.7083 7.7083 8.1988 8.1988 9.2748 9.2748 9.8041 9.8041 9.8561 9.8561 10.3628 10.3628 k = 0.4268-0.0000-0.0000 ( 3857 PWs) bands (ev): -2.2408 -2.2408 -1.3851 -1.3851 1.0228 1.0228 1.4603 1.4603 3.6801 3.6801 4.4690 4.4690 5.1611 5.1611 5.3128 5.3128 5.4346 5.4346 5.7481 5.7481 5.8215 5.8215 6.3664 6.3664 6.5987 6.5987 6.8052 6.8052 7.2203 7.2203 7.2384 7.2384 7.4658 7.4658 7.6013 7.6013 7.6646 7.6646 8.1378 8.1378 9.3413 9.3413 9.8288 9.8288 9.8783 9.8783 10.3169 10.3169 k = 0.4390-0.0000-0.0000 ( 3855 PWs) bands (ev): -2.1667 -2.1667 -1.4484 -1.4484 1.0701 1.0701 1.4382 1.4382 3.7154 3.7154 4.3799 4.3799 5.2155 5.2155 5.3030 5.3030 5.4248 5.4248 5.7457 5.7457 5.8357 5.8357 6.3149 6.3149 6.6157 6.6157 6.7904 6.7904 7.2382 7.2382 7.2601 7.2601 7.4588 7.4588 7.5661 7.5661 7.6604 7.6604 8.0770 8.0770 9.4113 9.4113 9.8453 9.8453 9.9027 9.9027 10.2727 10.2727 k = 0.4512-0.0000-0.0000 ( 3857 PWs) bands (ev): -2.0922 -2.0922 -1.5142 -1.5142 1.1162 1.1162 1.4131 1.4131 3.7572 3.7572 4.2933 4.2933 5.2540 5.2540 5.2958 5.2958 5.4323 5.4323 5.7286 5.7286 5.8644 5.8644 6.2606 6.2606 6.6334 6.6334 6.7749 6.7749 7.2559 7.2559 7.2834 7.2834 7.4470 7.4470 7.5213 7.5213 7.6780 7.6780 8.0178 8.0178 9.4823 9.4823 9.8493 9.8493 9.9315 9.9315 10.2300 10.2300 k = 0.4634-0.0000-0.0000 ( 3853 PWs) bands (ev): -2.0176 -2.0176 -1.5821 -1.5821 1.1608 1.1608 1.3849 1.3849 3.8054 3.8054 4.2100 4.2100 5.2716 5.2716 5.2911 5.2911 5.4611 5.4611 5.7035 5.7035 5.9009 5.9009 6.2047 6.2047 6.6515 6.6515 6.7586 6.7586 7.2749 7.2749 7.3064 7.3064 7.4313 7.4313 7.4796 7.4796 7.7041 7.7041 7.9615 7.9615 9.5523 9.5523 9.8398 9.8398 9.9638 9.9638 10.1887 10.1887 k = 0.4756-0.0000-0.0000 ( 3853 PWs) bands (ev): -1.9432 -1.9432 -1.6519 -1.6519 1.2038 1.2038 1.3538 1.3538 3.8596 3.8596 4.1306 4.1306 5.2762 5.2762 5.2874 5.2874 5.5036 5.5036 5.6725 5.6725 5.9428 5.9428 6.1483 6.1483 6.6699 6.6699 6.7416 6.7416 7.2954 7.2954 7.3276 7.3276 7.4128 7.4128 7.4445 7.4445 7.7360 7.7360 7.9084 7.9084 9.6193 9.6193 9.8172 9.8172 9.9983 9.9983 10.1486 10.1486 k = 0.4878-0.0000-0.0000 ( 3864 PWs) bands (ev): -1.8691 -1.8691 -1.7232 -1.7232 1.2447 1.2447 1.3200 1.3200 3.9195 3.9195 4.0554 4.0554 5.2778 5.2778 5.2834 5.2834 5.5501 5.5501 5.6362 5.6362 5.9891 5.9891 6.0928 6.0928 6.6882 6.6882 6.7241 6.7241 7.3171 7.3171 7.3420 7.3420 7.3966 7.3966 7.4171 7.4171 7.7727 7.7727 7.8591 7.8591 9.6813 9.6813 9.7822 9.7822 10.0343 10.0343 10.1095 10.1095 k = 0.5000-0.0000-0.0000 ( 3866 PWs) bands (ev): -1.7957 -1.7957 -1.7957 -1.7957 1.2836 1.2836 1.2836 1.2836 3.9849 3.9849 3.9849 3.9849 5.2800 5.2800 5.2800 5.2800 5.5951 5.5951 5.5951 5.5951 6.0394 6.0394 6.0394 6.0394 6.7064 6.7064 6.7064 6.7064 7.3369 7.3369 7.3369 7.3369 7.3983 7.3983 7.3983 7.3983 7.8138 7.8138 7.8138 7.8138 9.7363 9.7363 9.7363 9.7363 10.0715 10.0715 10.0715 10.0715 k = 0.5000-0.0000-0.0000 ( 3866 PWs) bands (ev): -1.7957 -1.7957 -1.7957 -1.7957 1.2836 1.2836 1.2836 1.2836 3.9849 3.9849 3.9849 3.9849 5.2800 5.2800 5.2800 5.2800 5.5951 5.5951 5.5951 5.5951 6.0394 6.0394 6.0394 6.0394 6.7064 6.7064 6.7064 6.7064 7.3369 7.3369 7.3369 7.3369 7.3983 7.3983 7.3983 7.3983 7.8138 7.8138 7.8138 7.8138 9.7363 9.7363 9.7363 9.7363 10.0715 10.0715 10.0715 10.0715 k = 0.5000 0.0120-0.0000 ( 3852 PWs) bands (ev): -1.7950 -1.7950 -1.7947 -1.7947 1.2822 1.2822 1.2826 1.2826 3.9842 3.9842 3.9872 3.9872 5.2582 5.2582 5.2806 5.2806 5.5888 5.5888 5.6163 5.6163 6.0358 6.0358 6.0416 6.0416 6.7070 6.7070 6.7099 6.7099 7.3343 7.3343 7.3376 7.3376 7.3958 7.3958 7.4018 7.4018 7.8117 7.8117 7.8192 7.8192 9.7264 9.7264 9.7342 9.7342 10.0513 10.0513 10.0784 10.0784 k = 0.5000 0.0239-0.0000 ( 3848 PWs) bands (ev): -1.7926 -1.7926 -1.7920 -1.7920 1.2787 1.2787 1.2794 1.2794 3.9849 3.9849 3.9909 3.9909 5.2213 5.2213 5.2597 5.2597 5.5980 5.5980 5.6460 5.6460 6.0311 6.0311 6.0423 6.0423 6.7116 6.7116 6.7173 6.7173 7.3299 7.3299 7.3364 7.3364 7.3943 7.3943 7.4056 7.4056 7.8129 7.8129 7.8276 7.8276 9.7048 9.7048 9.7203 9.7203 10.0203 10.0203 10.0718 10.0718 k = 0.5000 0.0359-0.0000 ( 3840 PWs) bands (ev): -1.7885 -1.7885 -1.7877 -1.7877 1.2728 1.2728 1.2739 1.2739 3.9870 3.9870 3.9961 3.9961 5.1754 5.1754 5.2231 5.2231 5.6168 5.6168 5.6777 5.6777 6.0259 6.0259 6.0417 6.0417 6.7201 6.7201 6.7283 6.7283 7.3238 7.3238 7.3336 7.3336 7.3940 7.3940 7.4094 7.4094 7.8172 7.8172 7.8383 7.8383 9.6730 9.6730 9.6956 9.6956 9.9822 9.9822 10.0541 10.0541 k = 0.5000 0.0478-0.0000 ( 3840 PWs) bands (ev): -1.7828 -1.7828 -1.7817 -1.7817 1.2646 1.2646 1.2660 1.2660 3.9906 3.9906 4.0026 4.0026 5.1250 5.1250 5.1778 5.1778 5.6384 5.6384 5.7064 5.7064 6.0212 6.0212 6.0402 6.0402 6.7317 6.7317 6.7423 6.7423 7.3163 7.3163 7.3294 7.3294 7.3945 7.3945 7.4128 7.4128 7.8239 7.8239 7.8506 7.8506 9.6324 9.6324 9.6617 9.6617 9.9415 9.9415 10.0292 10.0292 k = 0.5000 0.0598-0.0000 ( 3846 PWs) bands (ev): -1.7755 -1.7755 -1.7741 -1.7741 1.2542 1.2542 1.2559 1.2559 3.9954 3.9954 4.0104 4.0104 5.0729 5.0729 5.1286 5.1286 5.6581 5.6581 5.7288 5.7288 6.0184 6.0184 6.0385 6.0385 6.7459 6.7459 6.7585 6.7585 7.3075 7.3075 7.3241 7.3241 7.3956 7.3956 7.4156 7.4156 7.8322 7.8322 7.8634 7.8634 9.5852 9.5852 9.6203 9.6203 9.9022 9.9022 10.0016 10.0016 k = 0.5000 0.0717-0.0000 ( 3846 PWs) bands (ev): -1.7666 -1.7666 -1.7650 -1.7650 1.2415 1.2415 1.2435 1.2435 4.0015 4.0015 4.0194 4.0194 5.0209 5.0209 5.0787 5.0787 5.6730 5.6730 5.7424 5.7424 6.0189 6.0189 6.0373 6.0373 6.7620 6.7620 6.7763 6.7763 7.2975 7.2975 7.3179 7.3179 7.3970 7.3970 7.4176 7.4176 7.8409 7.8409 7.8750 7.8750 9.5334 9.5334 9.5734 9.5734 9.8683 9.8683 9.9759 9.9759 k = 0.5000 0.0837-0.0000 ( 3856 PWs) bands (ev): -1.7561 -1.7561 -1.7543 -1.7543 1.2265 1.2265 1.2289 1.2289 4.0087 4.0087 4.0294 4.0294 4.9706 4.9706 5.0302 5.0302 5.6813 5.6813 5.7459 5.7459 6.0232 6.0232 6.0372 6.0372 6.7792 6.7792 6.7948 6.7948 7.2864 7.2864 7.3109 7.3109 7.3985 7.3985 7.4189 7.4189 7.8482 7.8482 7.8837 7.8837 9.4789 9.4789 9.5230 9.5230 9.8434 9.8434 9.9561 9.9561 k = 0.5000 0.0957-0.0000 ( 3864 PWs) bands (ev): -1.7442 -1.7442 -1.7421 -1.7421 1.2092 1.2092 1.2119 1.2119 4.0168 4.0168 4.0403 4.0403 4.9230 4.9230 4.9844 4.9844 5.6823 5.6823 5.7395 5.7395 6.0310 6.0310 6.0392 6.0392 6.7969 6.7969 6.8133 6.8133 7.2744 7.2744 7.3030 7.3030 7.3999 7.3999 7.4193 7.4193 7.8523 7.8523 7.8876 7.8876 9.4232 9.4232 9.4707 9.4707 9.8307 9.8307 9.9460 9.9460 k = 0.5000 0.1076-0.0000 ( 3876 PWs) bands (ev): -1.7309 -1.7309 -1.7284 -1.7284 1.1897 1.1897 1.1927 1.1927 4.0258 4.0258 4.0520 4.0520 4.8791 4.8791 4.9426 4.9426 5.6758 5.6758 5.7243 5.7243 6.0390 6.0390 6.0457 6.0457 6.8144 6.8144 6.8312 6.8312 7.2614 7.2614 7.2944 7.2944 7.4011 7.4011 7.4191 7.4191 7.8513 7.8513 7.8846 7.8846 9.3676 9.3676 9.4178 9.4178 9.8333 9.8333 9.9487 9.9487 k = 0.5000 0.1196-0.0000 ( 3874 PWs) bands (ev): -1.7162 -1.7162 -1.7135 -1.7135 1.1680 1.1680 1.1713 1.1713 4.0354 4.0354 4.0642 4.0642 4.8396 4.8396 4.9054 4.9054 5.6622 5.6622 5.7019 5.7019 6.0448 6.0448 6.0576 6.0576 6.8313 6.8313 6.8481 6.8481 7.2475 7.2475 7.2851 7.2851 7.4021 7.4021 7.4184 7.4184 7.8435 7.8435 7.8735 7.8735 9.3132 9.3132 9.3657 9.3657 9.8532 9.8532 9.9666 9.9666 k = 0.5000 0.1315-0.0000 ( 3882 PWs) bands (ev): -1.7002 -1.7002 -1.6973 -1.6973 1.1443 1.1443 1.1478 1.1478 4.0455 4.0455 4.0768 4.0768 4.8050 4.8050 4.8735 4.8735 5.6421 5.6421 5.6738 5.6738 6.0510 6.0510 6.0711 6.0711 6.8471 6.8471 6.8636 6.8636 7.2324 7.2324 7.2749 7.2749 7.4027 7.4027 7.4171 7.4171 7.8277 7.8277 7.8534 7.8534 9.2607 9.2607 9.3150 9.3150 9.8919 9.8919 10.0015 10.0015 k = 0.5000 0.1435-0.0000 ( 3878 PWs) bands (ev): -1.6831 -1.6831 -1.6799 -1.6799 1.1186 1.1186 1.1224 1.1224 4.0561 4.0561 4.0898 4.0898 4.7758 4.7758 4.8474 4.8474 5.6166 5.6166 5.6412 5.6412 6.0580 6.0580 6.0849 6.0849 6.8619 6.8619 6.8777 6.8777 7.2160 7.2160 7.2638 7.2638 7.4030 7.4030 7.4154 7.4154 7.8034 7.8034 7.8246 7.8246 9.2106 9.2106 9.2664 9.2664 9.9496 9.9496 10.0542 10.0542 k = 0.5000 0.1554-0.0000 ( 3878 PWs) bands (ev): -1.6650 -1.6650 -1.6615 -1.6615 1.0912 1.0912 1.0951 1.0951 4.0670 4.0670 4.1030 4.1030 4.7521 4.7521 4.8272 4.8272 5.5864 5.5864 5.6050 5.6050 6.0654 6.0654 6.0985 6.0985 6.8752 6.8752 6.8902 6.8902 7.1979 7.1979 7.2516 7.2516 7.4028 7.4028 7.4131 7.4131 7.7708 7.7708 7.7881 7.7881 9.1633 9.1633 9.2204 9.2204 10.0258 10.0258 10.1247 10.1247 k = 0.5000 0.1674-0.0000 ( 3882 PWs) bands (ev): -1.6459 -1.6459 -1.6421 -1.6421 1.0621 1.0621 1.0662 1.0662 4.0783 4.0783 4.1164 4.1164 4.7340 4.7340 4.8130 4.8130 5.5522 5.5522 5.5659 5.5659 6.0732 6.0732 6.1118 6.1118 6.8872 6.8872 6.9010 6.9010 7.1778 7.1778 7.2382 7.2382 7.4020 7.4020 7.4104 7.4104 7.7309 7.7309 7.7458 7.7458 9.1190 9.1190 9.1771 9.1771 10.1193 10.1193 10.2123 10.2123 k = 0.5000 0.1793-0.0000 ( 3894 PWs) bands (ev): -1.6261 -1.6261 -1.6220 -1.6220 1.0316 1.0316 1.0358 1.0358 4.0901 4.0901 4.1303 4.1303 4.7213 4.7213 4.8045 4.8045 5.5150 5.5150 5.5245 5.5245 6.0809 6.0809 6.1246 6.1246 6.8978 6.8978 6.9102 6.9102 7.1549 7.1549 7.2232 7.2232 7.4002 7.4002 7.4071 7.4071 7.6854 7.6854 7.6999 7.6999 9.0778 9.0778 9.1369 9.1369 10.2285 10.2285 10.3157 10.3157 k = 0.5000 0.1913-0.0000 ( 3898 PWs) bands (ev): -1.6056 -1.6056 -1.6013 -1.6013 1.0001 1.0001 1.0044 1.0044 4.1023 4.1023 4.1446 4.1446 4.7136 4.7136 4.8012 4.8012 5.4753 5.4753 5.4817 5.4817 6.0889 6.0889 6.1373 6.1373 6.9069 6.9069 6.9180 6.9180 7.1287 7.1287 7.2060 7.2060 7.3967 7.3967 7.4033 7.4033 7.6372 7.6372 7.6528 7.6528 9.0399 9.0399 9.0996 9.0996 10.3517 10.3517 10.4335 10.4335 k = 0.5000 0.2033-0.0000 ( 3902 PWs) bands (ev): -1.5847 -1.5847 -1.5801 -1.5801 0.9677 0.9677 0.9721 0.9721 4.1153 4.1153 4.1598 4.1598 4.7106 4.7106 4.8025 4.8025 5.4334 5.4334 5.4385 5.4385 6.0969 6.0969 6.1500 6.1500 6.9146 6.9146 6.9242 6.9242 7.0983 7.0983 7.1859 7.1859 7.3909 7.3909 7.3990 7.3990 7.5893 7.5893 7.6069 7.6069 9.0051 9.0051 9.0654 9.0654 10.4870 10.4870 10.5641 10.5641 k = 0.5000 0.2152-0.0000 ( 3898 PWs) bands (ev): -1.5636 -1.5636 -1.5587 -1.5587 0.9349 0.9349 0.9394 0.9394 4.1293 4.1293 4.1760 4.1760 4.7114 4.7114 4.8072 4.8072 5.3896 5.3896 5.3962 5.3962 6.1050 6.1050 6.1626 6.1626 6.9205 6.9205 6.9287 6.9287 7.0633 7.0633 7.1619 7.1619 7.3821 7.3821 7.3934 7.3934 7.5454 7.5454 7.5651 7.5651 8.9734 8.9734 9.0342 9.0342 10.6327 10.6327 10.7059 10.7059 k = 0.5000 0.2272-0.0000 ( 3898 PWs) bands (ev): -1.5424 -1.5424 -1.5373 -1.5373 0.9020 0.9020 0.9065 0.9065 4.1444 4.1444 4.1937 4.1937 4.7151 4.7151 4.8142 4.8142 5.3451 5.3451 5.3553 5.3553 6.1134 6.1134 6.1756 6.1756 6.9236 6.9236 6.9313 6.9313 7.0244 7.0244 7.1330 7.1330 7.3697 7.3697 7.3855 7.3855 7.5087 7.5087 7.5299 7.5299 8.9448 8.9448 9.0059 9.0059 10.7874 10.7874 10.8573 10.8573 k = 0.5000 0.2391-0.0000 ( 3902 PWs) bands (ev): -1.5215 -1.5215 -1.5161 -1.5161 0.8695 0.8695 0.8740 0.8740 4.1609 4.1609 4.2129 4.2129 4.7209 4.7209 4.8217 4.8217 5.3010 5.3010 5.3167 5.3167 6.1222 6.1222 6.1890 6.1890 6.9181 6.9181 6.9321 6.9321 6.9870 6.9870 7.0987 7.0987 7.3539 7.3539 7.3746 7.3746 7.4817 7.4817 7.5027 7.5027 8.9190 8.9190 8.9804 8.9804 10.9493 10.9493 11.0169 11.0169 k = 0.5000 0.2511-0.0000 ( 3902 PWs) bands (ev): -1.5010 -1.5010 -1.4954 -1.4954 0.8377 0.8377 0.8421 0.8421 4.1788 4.1788 4.2341 4.2341 4.7274 4.7274 4.8276 4.8276 5.2584 5.2584 5.2819 5.2819 6.1315 6.1315 6.2030 6.2030 6.8895 6.8895 6.9307 6.9307 6.9654 6.9654 7.0601 7.0601 7.3362 7.3362 7.3615 7.3615 7.4642 7.4642 7.4833 7.4833 8.8961 8.8961 8.9575 8.9575 11.1172 11.1172 11.1832 11.1832 k = 0.5000 0.2630-0.0000 ( 3910 PWs) bands (ev): -1.4812 -1.4812 -1.4754 -1.4754 0.8070 0.8070 0.8115 0.8115 4.1983 4.1983 4.2574 4.2574 4.7334 4.7334 4.8296 4.8296 5.2184 5.2184 5.2527 5.2527 6.1416 6.1416 6.2180 6.2180 6.8398 6.8398 6.9232 6.9232 6.9597 6.9597 7.0215 7.0215 7.3189 7.3189 7.3476 7.3476 7.4536 7.4536 7.4700 7.4700 8.8757 8.8757 8.9373 8.9373 11.2894 11.2894 11.3548 11.3548 k = 0.5000 0.2750-0.0000 ( 3906 PWs) bands (ev): -1.4625 -1.4625 -1.4564 -1.4564 0.7780 0.7780 0.7824 0.7824 4.2193 4.2193 4.2828 4.2828 4.7376 4.7376 4.8253 4.8253 5.1820 5.1820 5.2311 5.2311 6.1529 6.1529 6.2341 6.2341 6.7817 6.7817 6.9016 6.9016 6.9589 6.9589 6.9925 6.9925 7.3037 7.3037 7.3346 7.3346 7.4472 7.4472 7.4610 7.4610 8.8579 8.8579 8.9195 8.9195 11.4644 11.4644 11.5302 11.5302 k = 0.5000 0.2870-0.0000 ( 3898 PWs) bands (ev): -1.4450 -1.4450 -1.4387 -1.4387 0.7511 0.7511 0.7554 0.7554 4.2415 4.2415 4.3106 4.3106 4.7385 4.7385 4.8130 4.8130 5.1505 5.1505 5.2180 5.2180 6.1656 6.1656 6.2516 6.2516 6.7207 6.7207 6.8624 6.8624 6.9592 6.9592 6.9788 6.9788 7.2910 7.2910 7.3232 7.3232 7.4433 7.4433 7.4547 7.4547 8.8425 8.8425 8.9041 8.9041 11.6403 11.6403 11.7077 11.7077 k = 0.5000 0.2989-0.0000 ( 3890 PWs) bands (ev): -1.4291 -1.4291 -1.4226 -1.4226 0.7267 0.7267 0.7310 0.7310 4.2648 4.2648 4.3406 4.3406 4.7351 4.7351 4.7924 4.7924 5.1247 5.1247 5.2132 5.2132 6.1802 6.1802 6.2705 6.2705 6.6592 6.6592 6.8137 6.8137 6.9596 6.9596 6.9740 6.9740 7.2808 7.2808 7.3137 7.3137 7.4409 7.4409 7.4502 7.4502 8.8294 8.8294 8.8910 8.8910 11.8147 11.8147 11.8852 11.8852 k = 0.5000 0.3109-0.0000 ( 3906 PWs) bands (ev): -1.4151 -1.4151 -1.4084 -1.4084 0.7053 0.7053 0.7094 0.7094 4.2884 4.2884 4.3727 4.3727 4.7270 4.7270 4.7644 4.7644 5.1052 5.1052 5.2151 5.2151 6.1969 6.1969 6.2906 6.2906 6.5991 6.5991 6.7627 6.7627 6.9598 6.9598 6.9724 6.9724 7.2726 7.2726 7.3059 7.3059 7.4393 7.4393 7.4469 7.4469 8.8185 8.8185 8.8800 8.8800 11.9845 11.9845 12.0600 12.0600 k = 0.5000 0.3228-0.0000 ( 3910 PWs) bands (ev): -1.4032 -1.4032 -1.3964 -1.3964 0.6871 0.6871 0.6912 0.6912 4.3115 4.3115 4.4067 4.4067 4.7148 4.7148 4.7312 4.7312 5.0917 5.0917 5.2211 5.2211 6.2163 6.2163 6.3118 6.3118 6.5417 6.5417 6.7133 6.7133 6.9600 6.9600 6.9721 6.9721 7.2662 7.2662 7.2997 7.2997 7.4384 7.4384 7.4444 7.4444 8.8097 8.8097 8.8711 8.8711 12.1453 12.1453 12.2279 12.2279 k = 0.5000 0.3348-0.0000 ( 3906 PWs) bands (ev): -1.3936 -1.3936 -1.3867 -1.3867 0.6726 0.6726 0.6767 0.6767 4.3328 4.3328 4.4423 4.4423 4.6932 4.6932 4.7019 4.7019 5.0832 5.0832 5.2286 5.2286 6.2388 6.2388 6.3329 6.3329 6.4886 6.4886 6.6680 6.6680 6.9601 6.9601 6.9723 6.9723 7.2616 7.2616 7.2952 7.2952 7.4379 7.4379 7.4426 7.4426 8.8029 8.8029 8.8643 8.8643 12.2902 12.2902 12.3828 12.3828 k = 0.5000 0.3467-0.0000 ( 3910 PWs) bands (ev): -1.3867 -1.3867 -1.3797 -1.3797 0.6621 0.6621 0.6661 0.6661 4.3506 4.3506 4.4786 4.4786 4.6557 4.6557 4.6877 4.6877 5.0784 5.0784 5.2356 5.2356 6.2644 6.2644 6.3511 6.3511 6.4422 6.4422 6.6299 6.6299 6.9602 6.9602 6.9725 6.9725 7.2583 7.2583 7.2920 7.2920 7.4377 7.4377 7.4413 7.4413 8.7981 8.7981 8.8595 8.8595 12.4097 12.4097 12.5142 12.5142 k = 0.5000 0.3587-0.0000 ( 3916 PWs) bands (ev): -1.3824 -1.3824 -1.3754 -1.3754 0.6556 0.6556 0.6596 0.6596 4.3626 4.3626 4.5130 4.5130 4.6200 4.6200 4.6777 4.6777 5.0760 5.0760 5.2404 5.2404 6.2915 6.2915 6.3576 6.3576 6.4099 6.4099 6.6031 6.6031 6.9602 6.9602 6.9727 6.9727 7.2564 7.2564 7.2901 7.2901 7.4376 7.4376 7.4404 7.4404 8.7952 8.7952 8.8566 8.8566 12.4905 12.4905 12.6064 12.6064 k = 0.5000 0.3707-0.0000 ( 3908 PWs) bands (ev): -1.3810 -1.3810 -1.3739 -1.3739 0.6535 0.6535 0.6574 0.6574 4.3669 4.3669 4.5321 4.5321 4.6005 4.6005 4.6741 4.6741 5.0754 5.0754 5.2422 5.2422 6.3088 6.3088 6.3499 6.3499 6.4017 6.4017 6.5932 6.5932 6.9602 6.9602 6.9728 6.9728 7.2558 7.2558 7.2895 7.2895 7.4377 7.4377 7.4402 7.4402 8.7943 8.7943 8.8557 8.8557 12.5194 12.5194 12.6403 12.6403 k = 0.5000 0.3707-0.0000 ( 3908 PWs) bands (ev): -1.3810 -1.3810 -1.3739 -1.3739 0.6535 0.6535 0.6574 0.6574 4.3669 4.3669 4.5321 4.5321 4.6005 4.6005 4.6741 4.6741 5.0754 5.0754 5.2422 5.2422 6.3088 6.3088 6.3499 6.3499 6.4017 6.4017 6.5932 6.5932 6.9602 6.9602 6.9728 6.9728 7.2558 7.2558 7.2895 7.2895 7.4377 7.4377 7.4402 7.4402 8.7943 8.7943 8.8557 8.8557 12.5194 12.5194 12.6403 12.6403 k = 0.4878 0.3707-0.0000 ( 3912 PWs) bands (ev): -1.3834 -1.3834 -1.3764 -1.3763 0.6538 0.6539 0.6578 0.6578 4.3566 4.3571 4.5171 4.5213 4.6134 4.6144 4.6875 4.6921 5.0731 5.0733 5.2400 5.2402 6.2925 6.2944 6.3412 6.3413 6.4217 6.4218 6.6042 6.6060 6.9593 6.9621 6.9727 6.9731 7.2547 7.2585 7.2892 7.2909 7.4389 7.4408 7.4417 7.4431 8.7953 8.7954 8.8568 8.8568 12.5136 12.5138 12.6343 12.6347 k = 0.4756 0.3707-0.0000 ( 3908 PWs) bands (ev): -1.3905 -1.3905 -1.3835 -1.3835 0.6549 0.6550 0.6588 0.6588 4.3315 4.3324 4.4877 4.4936 4.6481 4.6498 4.7232 4.7304 5.0672 5.0673 5.2338 5.2343 6.2634 6.2663 6.3198 6.3199 6.4636 6.4642 6.6343 6.6379 6.9593 6.9650 6.9731 6.9738 7.2551 7.2628 7.2900 7.2933 7.4452 7.4458 7.4497 7.4512 8.7984 8.7987 8.8602 8.8603 12.4967 12.4971 12.6169 12.6177 k = 0.4634 0.3707-0.0000 ( 3908 PWs) bands (ev): -1.4022 -1.4022 -1.3954 -1.3953 0.6565 0.6566 0.6604 0.6604 4.2997 4.3007 4.4544 4.4611 4.6962 4.6984 4.7679 4.7770 5.0589 5.0594 5.2242 5.2250 6.2347 6.2384 6.2931 6.2931 6.5130 6.5146 6.6746 6.6805 6.9603 6.9693 6.9736 6.9747 7.2572 7.2686 7.2918 7.2965 7.4539 7.4591 7.4602 7.4668 8.8038 8.8042 8.8660 8.8662 12.4697 12.4702 12.5893 12.5905 k = 0.4512 0.3707-0.0000 ( 3912 PWs) bands (ev): -1.4183 -1.4183 -1.4116 -1.4115 0.6585 0.6586 0.6623 0.6623 4.2659 4.2669 4.4210 4.4282 4.7523 4.7551 4.8146 4.8260 5.0510 5.0529 5.2121 5.2133 6.2095 6.2137 6.2660 6.2660 6.5657 6.5683 6.7183 6.7270 6.9625 6.9745 6.9751 6.9760 7.2609 7.2757 7.2946 7.3006 7.4674 7.4753 7.4797 7.4894 8.8113 8.8119 8.8741 8.8744 12.4341 12.4347 12.5529 12.5544 k = 0.4390 0.3707-0.0000 ( 3924 PWs) bands (ev): -1.4385 -1.4385 -1.4320 -1.4318 0.6606 0.6608 0.6643 0.6643 4.2324 4.2333 4.3885 4.3960 4.8136 4.8169 4.8568 4.8714 5.0493 5.0537 5.1986 5.2004 6.1882 6.1929 6.2409 6.2410 6.6191 6.6228 6.7606 6.7728 6.9662 6.9756 6.9777 6.9828 7.2663 7.2839 7.2984 7.3054 7.4868 7.4958 7.5091 7.5201 8.8210 8.8217 8.8846 8.8850 12.3913 12.3920 12.5095 12.5112 k = 0.4268 0.3707-0.0000 ( 3932 PWs) bands (ev): -1.4625 -1.4624 -1.4561 -1.4560 0.6626 0.6627 0.6661 0.6661 4.1997 4.2005 4.3568 4.3645 4.8783 4.8824 4.8870 4.9044 5.0637 5.0705 5.1854 5.1879 6.1709 6.1760 6.2188 6.2190 6.6713 6.6759 6.7981 6.8143 6.9721 6.9770 6.9798 6.9928 7.2733 7.2931 7.3031 7.3107 7.5136 7.5229 7.5488 7.5604 8.8330 8.8338 8.8975 8.8980 12.3431 12.3438 12.4607 12.4626 k = 0.4146 0.3707-0.0000 ( 3924 PWs) bands (ev): -1.4899 -1.4898 -1.4837 -1.4835 0.6640 0.6642 0.6674 0.6674 4.1680 4.1686 4.3253 4.3331 4.9019 4.9200 4.9450 4.9502 5.1006 5.1079 5.1744 5.1779 6.1572 6.1626 6.2002 6.2005 6.7206 6.7258 6.8288 6.8486 6.9788 6.9809 6.9826 7.0049 7.2819 7.3030 7.3086 7.3166 7.5488 7.5577 7.5998 7.6114 8.8473 8.8483 8.9129 8.9135 12.2909 12.2915 12.4080 12.4100 k = 0.4024 0.3707-0.0000 ( 3912 PWs) bands (ev): -1.5202 -1.5202 -1.5143 -1.5141 0.6647 0.6649 0.6679 0.6679 4.1369 4.1375 4.2932 4.3009 4.9078 4.9250 5.0113 5.0183 5.1547 5.1610 5.1683 5.1736 6.1468 6.1524 6.1850 6.1853 6.7654 6.7707 6.8522 6.8740 6.9810 6.9858 6.9928 7.0183 7.2919 7.3135 7.3150 7.3231 7.5936 7.6013 7.6625 7.6735 8.8639 8.8650 8.9308 8.9316 12.2359 12.2364 12.3529 12.3550 k = 0.3902 0.3707-0.0000 ( 3910 PWs) bands (ev): -1.5532 -1.5532 -1.5475 -1.5473 0.6643 0.6645 0.6673 0.6674 4.1061 4.1065 4.2594 4.2670 4.9129 4.9290 5.0713 5.0809 5.1738 5.1818 5.2178 5.2232 6.1391 6.1449 6.1728 6.1732 6.8046 6.8094 6.8691 6.8912 6.9839 6.9898 7.0069 7.0319 7.3030 7.3222 7.3242 7.3300 7.6485 7.6545 7.7364 7.7463 8.8828 8.8841 8.9513 8.9522 12.1793 12.1797 12.2964 12.2986 k = 0.3780 0.3707-0.0000 ( 3906 PWs) bands (ev): -1.5884 -1.5883 -1.5830 -1.5827 0.6626 0.6628 0.6655 0.6656 4.0749 4.0752 4.2234 4.2308 4.9222 4.9374 5.1126 5.1221 5.2078 5.2157 5.2855 5.2904 6.1338 6.1398 6.1635 6.1640 6.8375 6.8413 6.8812 6.9021 6.9874 6.9947 7.0215 7.0445 7.3150 7.3301 7.3352 7.3375 7.7135 7.7177 7.8207 7.8293 8.9039 8.9054 8.9742 8.9754 12.1220 12.1223 12.2396 12.2418 k = 0.3659 0.3707-0.0000 ( 3914 PWs) bands (ev): -1.6254 -1.6253 -1.6202 -1.6200 0.6595 0.6597 0.6622 0.6623 4.0429 4.0431 4.1848 4.1917 4.9384 4.9528 5.1358 5.1420 5.2707 5.2753 5.3557 5.3603 6.1305 6.1366 6.1567 6.1573 6.8641 6.8663 6.8897 6.9089 6.9918 7.0004 7.0348 7.0555 7.3279 7.3387 7.3458 7.3466 7.7881 7.7904 7.9139 7.9213 8.9275 8.9291 8.9997 9.0012 12.0650 12.0651 12.1833 12.1855 k = 0.3537 0.3707-0.0000 ( 3918 PWs) bands (ev): -1.6639 -1.6638 -1.6589 -1.6587 0.6548 0.6550 0.6573 0.6574 4.0097 4.0097 4.1434 4.1498 4.9628 4.9765 5.1562 5.1603 5.3434 5.3459 5.4273 5.4318 6.1290 6.1353 6.1522 6.1529 6.8845 6.8850 6.8958 6.9131 6.9972 7.0069 7.0465 7.0647 7.3415 7.3483 7.3549 7.3585 7.8715 7.8721 8.0149 8.0210 8.9533 8.9550 9.0277 9.0295 12.0088 12.0089 12.1283 12.1306 k = 0.3415 0.3707-0.0000 ( 3914 PWs) bands (ev): -1.7034 -1.7033 -1.6987 -1.6984 0.6484 0.6486 0.6507 0.6508 3.9749 3.9749 4.0995 4.1054 4.9958 5.0088 5.1808 5.1838 5.4190 5.4203 5.4994 5.5041 6.1291 6.1356 6.1497 6.1505 6.8984 6.8995 6.9002 6.9157 7.0037 7.0139 7.0563 7.0723 7.3559 7.3590 7.3650 7.3711 7.9616 7.9627 8.1225 8.1273 8.9813 8.9832 9.0582 9.0604 11.9541 11.9544 12.0753 12.0776 k = 0.3293 0.3707-0.0000 ( 3906 PWs) bands (ev): -1.7437 -1.7436 -1.7392 -1.7389 0.6404 0.6406 0.6426 0.6427 3.9385 3.9386 4.0535 4.0588 5.0370 5.0496 5.2119 5.2141 5.4956 5.4963 5.5715 5.5766 6.1306 6.1372 6.1489 6.1498 6.9034 6.9076 6.9099 6.9172 7.0111 7.0212 7.0645 7.0785 7.3708 7.3713 7.3762 7.3848 8.0579 8.0605 8.2355 8.2392 9.0115 9.0134 9.0910 9.0939 11.9015 11.9022 12.0249 12.0273 k = 0.3171 0.3707-0.0000 ( 3902 PWs) bands (ev): -1.7844 -1.7843 -1.7802 -1.7799 0.6308 0.6310 0.6328 0.6329 3.9006 3.9008 4.0059 4.0107 5.0860 5.0982 5.2498 5.2515 5.5725 5.5728 5.6433 5.6488 6.1333 6.1400 6.1498 6.1509 6.9055 6.9135 6.9165 6.9178 7.0190 7.0284 7.0714 7.0836 7.3838 7.3875 7.3887 7.3994 8.1599 8.1639 8.3533 8.3557 9.0437 9.0456 9.1262 9.1297 11.8518 11.8528 11.9777 11.9801 k = 0.3049 0.3707-0.0000 ( 3898 PWs) bands (ev): -1.8253 -1.8252 -1.8213 -1.8210 0.6196 0.6198 0.6214 0.6215 3.8614 3.8617 3.9572 3.9616 5.1419 5.1538 5.2943 5.2956 5.6491 5.6491 5.7141 5.7204 6.1371 6.1439 6.1521 6.1535 6.9068 6.9169 6.9177 6.9204 7.0271 7.0356 7.0772 7.0879 7.3985 7.4028 7.4051 7.4155 8.2665 8.2720 8.4750 8.4760 9.0779 9.0796 9.1634 9.1678 11.8052 11.8067 11.9342 11.9366 k = 0.2927 0.3707-0.0000 ( 3896 PWs) bands (ev): -1.8660 -1.8659 -1.8623 -1.8620 0.6071 0.6073 0.6087 0.6088 3.8212 3.8216 3.9081 3.9120 5.2038 5.2156 5.3448 5.3458 5.7250 5.7250 5.7838 5.7909 6.1421 6.1489 6.1558 6.1576 6.9074 6.9170 6.9184 6.9222 7.0352 7.0424 7.0822 7.0915 7.4149 7.4187 7.4240 7.4331 8.3768 8.3838 8.5994 8.5999 9.1139 9.1151 9.2027 9.2082 11.7625 11.7644 11.8948 11.8973 k = 0.2805 0.3707-0.0000 ( 3896 PWs) bands (ev): -1.9065 -1.9064 -1.9030 -1.9027 0.5933 0.5934 0.5948 0.5949 3.7803 3.7808 3.8588 3.8624 5.2706 5.2825 5.4003 5.4012 5.7996 5.7999 5.8519 5.8601 6.1484 6.1552 6.1611 6.1634 6.9074 6.9157 6.9184 6.9224 7.0432 7.0491 7.0867 7.0948 7.4333 7.4366 7.4446 7.4525 8.4897 8.4984 8.7249 8.7274 9.1518 9.1521 9.2440 9.2508 11.7239 11.7263 11.8600 11.8627 k = 0.2683 0.3707-0.0000 ( 3900 PWs) bands (ev): -1.9464 -1.9463 -1.9431 -1.9428 0.5784 0.5786 0.5798 0.5799 3.7392 3.7396 3.8100 3.8132 5.3412 5.3534 5.4598 5.4606 5.8725 5.8733 5.9177 5.9275 6.1565 6.1630 6.1682 6.1714 6.9068 6.9139 6.9173 6.9215 7.0509 7.0555 7.0909 7.0978 7.4542 7.4568 7.4671 7.4741 8.6043 8.6149 8.8511 8.8564 9.1908 9.1922 9.2872 9.2958 11.6900 11.6930 11.8303 11.8331 k = 0.2561 0.3707-0.0000 ( 3896 PWs) bands (ev): -1.9856 -1.9854 -1.9824 -1.9821 0.5626 0.5628 0.5639 0.5640 3.6980 3.6985 3.7618 3.7647 5.4144 5.4270 5.5221 5.5228 5.9422 5.9440 5.9801 5.9921 6.1675 6.1734 6.1783 6.1827 6.9056 6.9117 6.9152 6.9196 7.0583 7.0617 7.0948 7.1007 7.4779 7.4800 7.4921 7.4982 8.7192 8.7321 8.9753 8.9852 9.2321 9.2368 9.3327 9.3435 11.6612 11.6648 11.8058 11.8089 k = 0.2439 0.3707-0.0000 ( 3902 PWs) bands (ev): -2.0238 -2.0237 -2.0209 -2.0206 0.5462 0.5463 0.5473 0.5474 3.6572 3.6578 3.7146 3.7173 5.4889 5.5021 5.5859 5.5865 6.0065 6.0100 6.0366 6.0514 6.1839 6.1887 6.1931 6.1993 6.9040 6.9089 6.9122 6.9170 7.0656 7.0678 7.0987 7.1036 7.5051 7.5065 7.5197 7.5252 8.8327 8.8482 9.0913 9.1087 9.2802 9.2913 9.3814 9.3948 11.6376 11.6419 11.7870 11.7903 k = 0.2317 0.3707-0.0000 ( 3898 PWs) bands (ev): -2.0610 -2.0608 -2.0582 -2.0579 0.5293 0.5294 0.5302 0.5303 3.6171 3.6177 3.6688 3.6712 5.5634 5.5774 5.6500 5.6506 6.0611 6.0665 6.0824 6.1003 6.2104 6.2141 6.2171 6.2255 6.9019 6.9057 6.9087 6.9139 7.0726 7.0739 7.1025 7.1066 7.5363 7.5371 7.5507 7.5557 8.9423 8.9608 9.1859 9.2113 9.3499 9.3680 9.4349 9.4512 11.6196 11.6247 11.7738 11.7775 k = 0.2195 0.3707-0.0000 ( 3910 PWs) bands (ev): -2.0969 -2.0968 -2.0943 -2.0941 0.5120 0.5121 0.5129 0.5130 3.5779 3.5785 3.6244 3.6266 5.6367 5.6517 5.7131 5.7138 6.1012 6.1079 6.1136 6.1333 6.2505 6.2549 6.2554 6.2652 6.8993 6.9020 6.9045 6.9102 7.0794 7.0798 7.1064 7.1097 7.5722 7.5724 7.5855 7.5902 9.0448 9.0661 9.2505 9.2766 9.4568 9.4744 9.4959 9.5152 11.6073 11.6131 11.7663 11.7703 k = 0.2073 0.3707-0.0000 ( 3910 PWs) bands (ev): -2.1315 -2.1314 -2.1291 -2.1288 0.4947 0.4948 0.4954 0.4955 3.5399 3.5405 3.5816 3.5837 5.7074 5.7237 5.7744 5.7752 6.1277 6.1331 6.1342 6.1533 6.3016 6.3077 6.3081 6.3176 6.8963 6.8979 6.8999 6.9063 7.0857 7.0861 7.1103 7.1129 7.6132 7.6138 7.6250 7.6295 9.1363 9.1596 9.2946 9.3183 9.5683 9.5863 9.5898 9.6005 11.6005 11.6072 11.7642 11.7687 k = 0.1951 0.3707-0.0000 ( 3910 PWs) bands (ev): -2.1646 -2.1645 -2.1624 -2.1621 0.4774 0.4775 0.4781 0.4782 3.5032 3.5038 3.5407 3.5427 5.7745 5.7924 5.8328 5.8337 6.1455 6.1462 6.1511 6.1670 6.3578 6.3668 6.3674 6.3768 6.8932 6.8935 6.8949 6.9022 7.0916 7.0927 7.1144 7.1164 7.6604 7.6617 7.6698 7.6743 9.2136 9.2373 9.3279 9.3499 9.6554 9.6775 9.7243 9.7356 11.5992 11.6067 11.7671 11.7721 k = 0.1829 0.3707-0.0000 ( 3910 PWs) bands (ev): -2.1962 -2.1960 -2.1941 -2.1939 0.4603 0.4604 0.4609 0.4610 3.4681 3.4688 3.5018 3.5036 5.8372 5.8570 5.8877 5.8886 6.1561 6.1589 6.1635 6.1781 6.4152 6.4267 6.4287 6.4377 6.8889 6.8897 6.8898 6.8981 7.0975 7.0991 7.1185 7.1199 7.7147 7.7167 7.7206 7.7254 9.2758 9.2978 9.3544 9.3754 9.7578 9.7786 9.8658 9.8750 11.6028 11.6111 11.7743 11.7798 k = 0.1707 0.3707-0.0000 ( 3918 PWs) bands (ev): -2.2261 -2.2259 -2.2242 -2.2239 0.4437 0.4438 0.4442 0.4443 3.4347 3.4354 3.4649 3.4666 5.8945 5.9166 5.9385 5.9393 6.1645 6.1702 6.1739 6.1883 6.4715 6.4855 6.4881 6.4973 6.8840 6.8843 6.8864 6.8941 7.1034 7.1054 7.1226 7.1237 7.7769 7.7782 7.7795 7.7833 9.3239 9.3433 9.3755 9.3960 9.8728 9.8911 10.0089 10.0166 11.6107 11.6199 11.7848 11.7908 k = 0.1585 0.3707-0.0000 ( 3906 PWs) bands (ev): -2.2542 -2.2541 -2.2525 -2.2522 0.4276 0.4277 0.4281 0.4281 3.4032 3.4039 3.4302 3.4318 5.9463 5.9710 5.9849 5.9854 6.1723 6.1808 6.1836 6.1983 6.5249 6.5416 6.5438 6.5534 6.8789 6.8791 6.8831 6.8904 7.1092 7.1116 7.1268 7.1275 7.8432 7.8473 7.8487 7.8506 9.3606 9.3767 9.3920 9.4121 9.9967 10.0122 10.1525 10.1589 11.6221 11.6322 11.7974 11.8038 k = 0.1463 0.3707-0.0000 ( 3918 PWs) bands (ev): -2.2805 -2.2804 -2.2789 -2.2787 0.4122 0.4123 0.4126 0.4127 3.3737 3.3744 3.3977 3.3992 5.9919 6.0197 6.0264 6.0264 6.1798 6.1915 6.1932 6.2087 6.5741 6.5937 6.5940 6.6048 6.8735 6.8741 6.8802 6.8872 7.1149 7.1175 7.1308 7.1313 7.9156 7.9217 7.9259 7.9298 9.3880 9.4009 9.4041 9.4239 10.1262 10.1388 10.2957 10.3008 11.6359 11.6470 11.8103 11.8172 k = 0.1341 0.3707-0.0000 ( 3910 PWs) bands (ev): -2.3050 -2.3048 -2.3035 -2.3033 0.3976 0.3976 0.3979 0.3980 3.3463 3.3470 3.3676 3.3690 6.0314 6.0618 6.0624 6.0628 6.1881 6.2033 6.2036 6.2201 6.6181 6.6381 6.6409 6.6506 6.8685 6.8695 6.8780 6.8848 7.1205 7.1233 7.1348 7.1352 7.9954 8.0023 8.0125 8.0168 9.4080 9.4120 9.4178 9.4316 10.2586 10.2683 10.4373 10.4413 11.6510 11.6630 11.8217 11.8288 k = 0.1220 0.3707-0.0000 ( 3902 PWs) bands (ev): -2.3274 -2.3273 -2.3261 -2.3259 0.3839 0.3839 0.3842 0.3842 3.3210 3.3217 3.3399 3.3412 6.0645 6.0911 6.0934 6.0985 6.1978 6.2153 6.2167 6.2326 6.6560 6.6753 6.6823 6.6902 6.8641 6.8653 6.8768 6.8836 7.1260 7.1288 7.1387 7.1390 8.0821 8.0898 8.1060 8.1106 9.4160 9.4219 9.4286 9.4352 10.3921 10.3988 10.5762 10.5788 11.6660 11.6789 11.8292 11.8361 k = 0.1098 0.3707-0.0000 ( 3902 PWs) bands (ev): -2.3479 -2.3478 -2.3468 -2.3465 0.3712 0.3712 0.3714 0.3715 3.2980 3.2988 3.3145 3.3158 6.0914 6.1142 6.1180 6.1269 6.2102 6.2287 6.2320 6.2464 6.6873 6.7052 6.7175 6.7235 6.8606 6.8621 6.8771 6.8837 7.1312 7.1340 7.1424 7.1426 8.1745 8.1832 8.2052 8.2099 9.4164 9.4306 9.4343 9.4350 10.5248 10.5283 10.7106 10.7118 11.6797 11.6935 11.8302 11.8365 k = 0.0976 0.3707-0.0000 ( 3906 PWs) bands (ev): -2.3664 -2.3662 -2.3653 -2.3651 0.3596 0.3597 0.3598 0.3599 3.2774 3.2781 3.2917 3.2929 6.1126 6.1315 6.1369 6.1472 6.2260 6.2438 6.2489 6.2613 6.7119 6.7280 6.7458 6.7501 6.8587 6.8603 6.8793 6.8855 7.1361 7.1388 7.1458 7.1459 8.2712 8.2812 8.3084 8.3129 9.4133 9.4310 9.4348 9.4354 10.6551 10.6551 10.8378 10.8385 11.6908 11.7056 11.8225 11.8270 k = 0.0854 0.3707-0.0000 ( 3910 PWs) bands (ev): -2.3827 -2.3825 -2.3818 -2.3816 0.3492 0.3493 0.3494 0.3495 3.2591 3.2599 3.2714 3.2725 6.1289 6.1441 6.1507 6.1605 6.2445 6.2599 6.2664 6.2767 6.7301 6.7441 6.7669 6.7698 6.8592 6.8607 6.8832 6.8889 7.1406 7.1432 7.1488 7.1491 8.3704 8.3818 8.4134 8.4174 9.4069 9.4233 9.4322 9.4348 10.7770 10.7813 10.9539 10.9573 11.6984 11.7146 11.8042 11.8058 k = 0.0732 0.3707-0.0000 ( 3910 PWs) bands (ev): -2.3969 -2.3968 -2.3962 -2.3960 0.3401 0.3401 0.3402 0.3403 3.2433 3.2441 3.2536 3.2547 6.1413 6.1532 6.1608 6.1690 6.2633 6.2758 6.2836 6.2917 6.7428 6.7545 6.7809 6.7828 6.8625 6.8638 6.8887 6.8936 7.1447 7.1472 7.1515 7.1519 8.4698 8.4828 8.5177 8.5208 9.3976 9.4120 9.4249 9.4307 10.8919 10.9017 11.0562 11.0633 11.7022 11.7206 11.7724 11.7758 k = 0.0610 0.3707-0.0000 ( 3918 PWs) bands (ev): -2.4090 -2.4088 -2.4084 -2.4082 0.3323 0.3323 0.3324 0.3324 3.2299 3.2307 3.2384 3.2395 6.1505 6.1597 6.1681 6.1746 6.2808 6.2905 6.2992 6.3055 6.7511 6.7605 6.7886 6.7899 6.8682 6.8690 6.8949 6.8988 7.1483 7.1506 7.1538 7.1542 8.5667 8.5816 8.6183 8.6198 9.3857 9.3975 9.4137 9.4228 10.9971 11.0138 11.1402 11.1526 11.7025 11.7243 11.7297 11.7404 k = 0.0488 0.3707-0.0000 ( 3922 PWs) bands (ev): -2.4189 -2.4187 -2.4184 -2.4182 0.3258 0.3258 0.3259 0.3259 3.2191 3.2199 3.2258 3.2269 6.1574 6.1643 6.1735 6.1783 6.2960 6.3033 6.3129 6.3175 6.7562 6.7635 6.7921 6.7930 6.8748 6.8753 6.9010 6.9040 7.1513 7.1535 7.1556 7.1562 8.6582 8.6752 8.7108 8.7118 9.3722 9.3801 9.3986 9.4110 11.0889 11.1148 11.2019 11.2214 11.6835 11.6993 11.7043 11.7267 k = 0.0366 0.3707-0.0000 ( 3920 PWs) bands (ev): -2.4266 -2.4264 -2.4263 -2.4260 0.3208 0.3208 0.3208 0.3208 3.2109 3.2117 3.2159 3.2168 6.1625 6.1674 6.1774 6.1808 6.3084 6.3135 6.3239 6.3273 6.7594 6.7647 6.7932 6.7940 6.8810 6.8812 6.9063 6.9085 7.1539 7.1558 7.1570 7.1578 8.7406 8.7598 8.7888 8.7935 9.3585 9.3613 9.3803 9.3958 11.1631 11.2005 11.2403 11.2687 11.6424 11.6759 11.6916 11.7263 k = 0.0244 0.3707-0.0000 ( 3912 PWs) bands (ev): -2.4321 -2.4319 -2.4319 -2.4317 0.3171 0.3171 0.3172 0.3172 3.2052 3.2060 3.2085 3.2094 6.1662 6.1693 6.1802 6.1824 6.3176 6.3209 6.3322 6.3344 6.7613 6.7648 6.7934 6.7939 6.8859 6.8859 6.9105 6.9120 7.1558 7.1576 7.1579 7.1588 8.8096 8.8307 8.8479 8.8577 9.3438 9.3475 9.3605 9.3782 11.2158 11.2594 11.2648 11.2972 11.6162 11.6627 11.6767 11.7196 k = 0.0122 0.3707-0.0000 ( 3914 PWs) bands (ev): -2.4354 -2.4353 -2.4352 -2.4351 0.3149 0.3149 0.3149 0.3150 3.2021 3.2030 3.2037 3.2046 6.1685 6.1700 6.1819 6.1830 6.3235 6.3251 6.3375 6.3385 6.7626 6.7643 6.7933 6.7935 6.8888 6.8888 6.9132 6.9139 7.1572 7.1582 7.1587 7.1593 8.8599 8.8817 8.8817 8.8972 9.3324 9.3426 9.3430 9.3609 11.2469 11.2651 11.3023 11.3120 11.6126 11.6543 11.6673 11.7045 k = 0.0000 0.3707-0.0000 ( 3900 PWs) bands (ev): -2.4365 -2.4365 -2.4363 -2.4363 0.3142 0.3142 0.3142 0.3142 3.2016 3.2016 3.2025 3.2025 6.1698 6.1698 6.1829 6.1829 6.3260 6.3260 6.3396 6.3396 6.7636 6.7636 6.7934 6.7934 6.8899 6.8899 6.9144 6.9144 7.1580 7.1580 7.1593 7.1593 8.8856 8.8856 8.9056 8.9056 9.3318 9.3318 9.3478 9.3478 11.2614 11.2614 11.3153 11.3153 11.6293 11.6293 11.6844 11.6844 k = 0.0000 0.3707-0.0000 ( 3900 PWs) bands (ev): -2.4365 -2.4365 -2.4363 -2.4363 0.3142 0.3142 0.3142 0.3142 3.2016 3.2016 3.2025 3.2025 6.1698 6.1698 6.1829 6.1829 6.3260 6.3260 6.3396 6.3396 6.7636 6.7636 6.7934 6.7934 6.8899 6.8899 6.9144 6.9144 7.1580 7.1580 7.1593 7.1593 8.8856 8.8856 8.9056 8.9056 9.3318 9.3318 9.3478 9.3478 11.2614 11.2614 11.3153 11.3153 11.6293 11.6293 11.6844 11.6844 k = 0.0000 0.3587-0.0000 ( 3906 PWs) bands (ev): -2.5138 -2.5136 -2.3575 -2.3573 0.3082 0.3082 0.3183 0.3183 3.1907 3.1916 3.2199 3.2209 6.1580 6.1687 6.1808 6.1968 6.3193 6.3334 6.3359 6.3444 6.7340 6.7629 6.7884 6.8184 6.8811 6.8993 6.9043 6.9244 7.1558 7.1571 7.1599 7.1612 8.7658 8.7852 8.9987 9.0199 9.2255 9.2423 9.4407 9.4567 11.2191 11.2687 11.2908 11.3495 11.5643 11.6291 11.7028 11.7483 k = 0.0000 0.3467-0.0000 ( 3910 PWs) bands (ev): -2.5893 -2.5891 -2.2772 -2.2769 0.3003 0.3003 0.3208 0.3208 3.1872 3.1880 3.2458 3.2467 6.1456 6.1542 6.1907 6.2103 6.3132 6.3334 6.3414 6.3504 6.6988 6.7263 6.8094 6.8387 6.8731 6.8944 6.9090 6.9342 7.1534 7.1546 7.1615 7.1628 8.6431 8.6621 9.0833 9.0968 9.1508 9.1597 9.5510 9.5673 11.1649 11.2105 11.3052 11.3665 11.5178 11.5883 11.7795 11.8160 k = 0.0000 0.3348-0.0000 ( 3914 PWs) bands (ev): -2.6630 -2.6628 -2.1956 -2.1953 0.2903 0.2904 0.3217 0.3218 3.1909 3.1917 3.2790 3.2800 6.1326 6.1395 6.1994 6.2232 6.3080 6.3325 6.3500 6.3572 6.6569 6.6827 6.8273 6.8539 6.8669 6.8848 6.9190 6.9434 7.1507 7.1518 7.1626 7.1640 8.5203 8.5390 9.0089 9.0188 9.2184 9.2329 9.6622 9.6789 11.0996 11.1409 11.3027 11.3561 11.5026 11.5662 11.8553 11.8828 k = 0.0000 0.3228-0.0000 ( 3908 PWs) bands (ev): -2.7346 -2.7344 -2.1129 -2.1127 0.2785 0.2786 0.3216 0.3216 3.2016 3.2023 3.3196 3.3207 6.1192 6.1247 6.2067 6.2353 6.3038 6.3332 6.3590 6.3647 6.6072 6.6311 6.8430 6.8555 6.8723 6.8757 6.9288 6.9522 7.1479 7.1490 7.1634 7.1647 8.3999 8.4182 8.9086 8.9206 9.3003 9.3166 9.7741 9.7913 11.0248 11.0614 11.2846 11.3233 11.5142 11.5626 11.9271 11.9452 k = 0.0000 0.3109-0.0000 ( 3918 PWs) bands (ev): -2.8041 -2.8040 -2.0295 -2.0293 0.2649 0.2650 0.3207 0.3208 3.2189 3.2197 3.3674 3.3685 6.1053 6.1096 6.2122 6.2458 6.3008 6.3355 6.3685 6.3728 6.5491 6.5708 6.8496 6.8567 6.8670 6.8833 6.9381 6.9601 7.1449 7.1459 7.1637 7.1649 8.2842 8.3021 8.8098 8.8225 9.3690 9.3852 9.8869 9.9043 10.9422 10.9744 11.2558 11.2830 11.5365 11.5720 11.9929 12.0014 k = 0.0000 0.2989-0.0000 ( 3910 PWs) bands (ev): -2.8715 -2.8714 -1.9457 -1.9454 0.2496 0.2497 0.3196 0.3197 3.2427 3.2434 3.4221 3.4233 6.0910 6.0942 6.2156 6.2532 6.2997 6.3393 6.3781 6.3809 6.4828 6.5020 6.8436 6.8590 6.8689 6.8934 6.9469 6.9674 7.1418 7.1428 7.1636 7.1647 8.1754 8.1928 8.7133 8.7263 9.4202 9.4355 10.0006 10.0181 10.8536 10.8820 11.2212 11.2411 11.5622 11.5889 12.0530 12.0531 k = 0.0000 0.2870-0.0000 ( 3914 PWs) bands (ev): -2.9366 -2.9365 -1.8618 -1.8615 0.2329 0.2330 0.3188 0.3189 3.2723 3.2730 3.4836 3.4848 6.0760 6.0781 6.2154 6.2536 6.3011 6.3441 6.3855 6.3858 6.4133 6.4295 6.8381 6.8515 6.8799 6.9023 6.9548 6.9738 7.1387 7.1396 7.1629 7.1638 8.0750 8.0918 8.6194 8.6326 9.4516 9.4655 10.1155 10.1328 10.7605 10.7857 11.1841 11.1993 11.5881 11.6089 12.1039 12.1104 k = 0.0000 0.2750-0.0000 ( 3922 PWs) bands (ev): -2.9993 -2.9992 -1.7783 -1.7779 0.2149 0.2150 0.3189 0.3191 3.3075 3.3082 3.5516 3.5529 6.0598 6.0606 6.2061 6.2344 6.3031 6.3334 6.3458 6.3556 6.4012 6.4066 6.8330 6.8447 6.8898 6.9103 6.9619 6.9795 7.1354 7.1364 7.1616 7.1624 7.9842 8.0003 8.5279 8.5412 9.4621 9.4742 10.2312 10.2481 10.6643 10.6870 11.1463 11.1583 11.6128 11.6293 12.1571 12.1686 k = 0.0000 0.2630-0.0000 ( 3922 PWs) bands (ev): -3.0597 -3.0596 -1.6955 -1.6952 0.1959 0.1960 0.3207 0.3209 3.3478 3.3484 3.6258 3.6271 6.0382 6.0396 6.1670 6.1731 6.2810 6.2977 6.3276 6.3600 6.4113 6.4145 6.8286 6.8386 6.8989 6.9175 6.9682 6.9845 7.1322 7.1332 7.1599 7.1603 7.9034 7.9189 8.4391 8.4525 9.4517 9.4617 10.3458 10.3623 10.5668 10.5881 11.1095 11.1187 11.6353 11.6486 12.2144 12.2299 k = 0.0000 0.2511-0.0000 ( 3922 PWs) bands (ev): -3.1177 -3.1176 -1.6142 -1.6138 0.1761 0.1762 0.3249 0.3251 3.3925 3.3932 3.7059 3.7073 5.9957 6.0024 6.0960 6.0970 6.2623 6.2925 6.3337 6.3678 6.4221 6.4244 6.8250 6.8332 6.9071 6.9239 6.9739 6.9890 7.1288 7.1300 7.1576 7.1576 7.8327 7.8474 8.3529 8.3663 9.4210 9.4288 10.4350 10.4407 10.5022 10.5127 11.0755 11.0818 11.6549 11.6658 12.2747 12.2938 k = 0.0000 0.2391-0.0000 ( 3922 PWs) bands (ev): -3.1731 -3.1730 -1.5348 -1.5344 0.1557 0.1558 0.3323 0.3325 3.4413 3.4420 3.7916 3.7931 5.9047 5.9150 6.0506 6.0532 6.2583 6.2908 6.3436 6.3762 6.4330 6.4348 6.8221 6.8285 6.9146 6.9295 6.9789 6.9928 7.1255 7.1268 7.1542 7.1547 7.7713 7.7854 8.2695 8.2827 9.3715 9.3772 10.3543 10.3665 10.5912 10.5969 11.0478 11.0500 11.6716 11.6804 12.3350 12.3576 k = 0.0000 0.2272-0.0000 ( 3922 PWs) bands (ev): -3.2261 -3.2260 -1.4581 -1.4577 0.1349 0.1350 0.3437 0.3438 3.4936 3.4942 3.8827 3.8842 5.7820 5.7920 6.0287 6.0310 6.2585 6.2908 6.3546 6.3850 6.4441 6.4454 6.8201 6.8246 6.9212 6.9343 6.9834 6.9962 7.1220 7.1236 7.1502 7.1513 7.7182 7.7318 8.1887 8.2018 9.3049 9.3087 10.2519 10.2644 10.6933 10.6947 11.0299 11.0346 11.6856 11.6926 12.3898 12.4136 k = 0.0000 0.2152-0.0000 ( 3926 PWs) bands (ev): -3.2765 -3.2764 -1.3847 -1.3843 0.1141 0.1142 0.3598 0.3600 3.5487 3.5493 3.9787 3.9804 5.6462 5.6552 6.0130 6.0148 6.2606 6.2920 6.3660 6.3940 6.4551 6.4561 6.8190 6.8215 6.9271 6.9383 6.9875 6.9991 7.1183 7.1204 7.1454 7.1472 7.6725 7.6858 8.1108 8.1236 9.2234 9.2253 10.1480 10.1598 10.7639 10.7717 11.0382 11.0533 11.6971 11.7025 12.4321 12.4484 k = 0.0000 0.2033-0.0000 ( 3928 PWs) bands (ev): -3.3243 -3.3242 -1.3154 -1.3151 0.0933 0.0934 0.3817 0.3819 3.6060 3.6066 4.0795 4.0812 5.5032 5.5112 5.9994 6.0008 6.2636 6.2939 6.3778 6.4030 6.4661 6.4668 6.8190 6.8191 6.9321 6.9414 6.9913 7.0017 7.1145 7.1170 7.1399 7.1426 7.6328 7.6459 8.0357 8.0482 9.1289 9.1291 10.0439 10.0550 10.7885 10.8028 11.0964 11.1195 11.7065 11.7105 12.4609 12.4706 k = 0.0000 0.1913-0.0000 ( 3922 PWs) bands (ev): -3.3695 -3.3694 -1.2509 -1.2505 0.0728 0.0728 0.4098 0.4100 3.6647 3.6653 4.1846 4.1864 5.3559 5.3630 5.9871 5.9881 6.2675 6.2964 6.3899 6.4121 6.4769 6.4775 6.8176 6.8202 6.9365 6.9438 6.9947 7.0040 7.1103 7.1135 7.1337 7.1374 7.5982 7.6113 7.9635 7.9756 9.0220 9.0233 9.9405 9.9508 10.7807 10.7960 11.1948 11.2205 11.7143 11.7169 12.4817 12.4885 k = 0.0000 0.1793-0.0000 ( 3932 PWs) bands (ev): -3.4121 -3.4120 -1.1917 -1.1913 0.0527 0.0528 0.4448 0.4450 3.7240 3.7246 4.2937 4.2956 5.2066 5.2128 5.9757 5.9764 6.2720 6.2995 6.4023 6.4211 6.4874 6.4880 6.8169 6.8225 6.9399 6.9453 6.9977 7.0059 7.1055 7.1094 7.1268 7.1316 7.5674 7.5810 7.8944 7.9060 8.9058 8.9086 9.8384 9.8478 10.7591 10.7735 11.3107 11.3375 11.7209 11.7219 12.4982 12.5039 k = 0.0000 0.1674-0.0000 ( 3926 PWs) bands (ev): -3.4520 -3.4519 -1.1383 -1.1379 0.0332 0.0333 0.4871 0.4873 3.7827 3.7834 4.4060 4.4081 5.0577 5.0631 5.9652 5.9657 6.2771 6.3030 6.4150 6.4302 6.4977 6.4983 6.8171 6.8263 6.9427 6.9460 7.0003 7.0075 7.1001 7.1045 7.1199 7.1255 7.5397 7.5541 7.8285 7.8397 8.7823 8.7865 9.7382 9.7469 10.7323 10.7456 11.4329 11.4614 11.7260 11.7272 12.5119 12.5174 k = 0.0000 0.1554-0.0000 ( 3930 PWs) bands (ev): -3.4892 -3.4891 -1.0909 -1.0906 0.0145 0.0146 0.5368 0.5369 3.8394 3.8402 4.5202 4.5223 4.9125 4.9173 5.9554 5.9557 6.2826 6.3069 6.4282 6.4392 6.5076 6.5082 6.8179 6.8313 6.9447 6.9460 7.0022 7.0084 7.0935 7.0977 7.1134 7.1191 7.5141 7.5297 7.7659 7.7768 8.6531 8.6588 9.6407 9.6487 10.7040 10.7162 11.5556 11.5880 11.7300 11.7349 12.5237 12.5294 k = 0.0000 0.1435-0.0000 ( 3932 PWs) bands (ev): -3.5237 -3.5237 -1.0497 -1.0493 -0.0033 -0.0032 0.5935 0.5936 3.8919 3.8927 4.6262 4.6286 4.7835 4.7875 5.9465 5.9466 6.2887 6.3111 6.4418 6.4482 6.5170 6.5177 6.8194 6.8378 6.9451 6.9459 7.0032 7.0086 7.0854 7.0888 7.1079 7.1127 7.4897 7.5074 7.7071 7.7178 8.5199 8.5270 9.5465 9.5538 10.6758 10.6869 11.6651 11.7050 11.7439 11.7556 12.5338 12.5403 k = 0.0000 0.1315-0.0000 ( 3930 PWs) bands (ev): -3.5556 -3.5555 -1.0144 -1.0140 -0.0200 -0.0200 0.6567 0.6568 3.9363 3.9372 4.6077 4.6110 4.7908 4.7935 5.9385 5.9386 6.2950 6.3154 6.4560 6.4573 6.5260 6.5268 6.8213 6.8456 6.9433 6.9463 7.0030 7.0077 7.0756 7.0780 7.1032 7.1067 7.4655 7.4861 7.6523 7.6635 8.3844 8.3928 9.4566 9.4632 10.6485 10.6585 11.7124 11.7278 11.8370 11.8515 12.5423 12.5502 k = 0.0000 0.1196-0.0000 ( 3930 PWs) bands (ev): -3.5846 -3.5846 -0.9846 -0.9843 -0.0357 -0.0357 0.7256 0.7257 3.9654 3.9664 4.5006 4.5034 4.9061 4.9087 5.9314 5.9316 6.3017 6.3198 6.4666 6.4707 6.5344 6.5353 6.8231 6.8545 6.9406 6.9459 7.0013 7.0053 7.0640 7.0660 7.0990 7.1011 7.4403 7.4649 7.6024 7.6146 8.2482 8.2582 9.3716 9.3775 10.6226 10.6316 11.7221 11.7301 11.9532 11.9777 12.5493 12.5597 k = 0.0000 0.1076-0.0000 ( 3926 PWs) bands (ev): -3.6110 -3.6110 -0.9599 -0.9596 -0.0501 -0.0501 0.7989 0.7990 3.9665 3.9678 4.4150 4.4173 5.0315 5.0342 5.9255 5.9260 6.3084 6.3242 6.4762 6.4859 6.5421 6.5431 6.8243 6.8640 6.9362 6.9443 6.9977 7.0010 7.0506 7.0536 7.0951 7.0963 7.4131 7.4424 7.5584 7.5723 8.1134 8.1249 9.2922 9.2975 10.5984 10.6066 11.7257 11.7310 12.0707 12.1022 12.5536 12.5691 k = 0.0000 0.0957-0.0000 ( 3918 PWs) bands (ev): -3.6346 -3.6346 -0.9398 -0.9395 -0.0633 -0.0632 0.8752 0.8752 3.9273 3.9288 4.3709 4.3726 5.1597 5.1626 5.9213 5.9219 6.3152 6.3285 6.4862 6.5014 6.5491 6.5502 6.8237 6.8725 6.9297 6.9408 6.9925 6.9943 7.0358 7.0416 7.0916 7.0924 7.3832 7.4170 7.5221 7.5375 7.9825 7.9956 9.2191 9.2238 10.5764 10.5836 11.7275 11.7314 12.1824 12.2220 12.5542 12.5785 k = 0.0000 0.0837-0.0000 ( 3914 PWs) bands (ev): -3.6554 -3.6554 -0.9236 -0.9234 -0.0750 -0.0750 0.9525 0.9525 3.8523 3.8538 4.3652 4.3665 5.2888 5.2918 5.9192 5.9200 6.3217 6.3326 6.4964 6.5168 6.5555 6.5566 6.8199 6.8764 6.9204 6.9339 6.9852 6.9867 7.0207 7.0319 7.0886 7.0896 7.3505 7.3873 7.4942 7.5099 7.8583 7.8729 9.1531 9.1571 10.5565 10.5628 11.7285 11.7315 12.2825 12.3333 12.5532 12.5866 k = 0.0000 0.0717-0.0000 ( 3918 PWs) bands (ev): -3.6735 -3.6735 -0.9108 -0.9106 -0.0853 -0.0853 1.0287 1.0288 3.7600 3.7615 4.3809 4.3819 5.4168 5.4197 5.9204 5.9216 6.3278 6.3363 6.5065 6.5311 6.5610 6.5618 6.8110 6.8669 6.9102 6.9200 6.9753 6.9826 7.0080 7.0263 7.0863 7.0882 7.3163 7.3543 7.4739 7.4885 7.7445 7.7603 9.0948 9.0981 10.5391 10.5445 11.7291 11.7314 12.3634 12.4254 12.5600 12.5915 k = 0.0000 0.0598-0.0000 ( 3915 PWs) bands (ev): -3.6888 -3.6888 -0.9008 -0.9007 -0.0941 -0.0941 1.1014 1.1014 3.6656 3.6669 4.4046 4.4054 5.5400 5.5428 5.9275 5.9294 6.3333 6.3397 6.5157 6.5421 6.5659 6.5660 6.7947 6.8367 6.8963 6.8997 6.9681 6.9803 7.0031 7.0261 7.0848 7.0882 7.2821 7.3196 7.4593 7.4722 7.6455 7.6615 9.0445 9.0473 10.5242 10.5287 11.7294 11.7311 12.4175 12.4746 12.5828 12.5958 k = 0.0000 0.0478-0.0000 ( 3923 PWs) bands (ev): -3.7014 -3.7014 -0.8933 -0.8932 -0.1014 -0.1014 1.1676 1.1676 3.5781 3.5792 4.4289 4.4296 5.6512 5.6533 5.9468 5.9497 6.3380 6.3424 6.5212 6.5455 6.5686 6.5710 6.7684 6.7897 6.8664 6.8855 6.9646 6.9766 7.0101 7.0310 7.0842 7.0898 7.2490 7.2847 7.4485 7.4597 7.5651 7.5797 9.0029 9.0051 10.5119 10.5155 11.7295 11.7308 12.4468 12.4856 12.5962 12.6007 k = 0.0000 0.0359-0.0000 ( 3925 PWs) bands (ev): -3.7111 -3.7111 -0.8879 -0.8878 -0.1071 -0.1071 1.2241 1.2242 3.5035 3.5043 4.4504 4.4509 5.7362 5.7372 5.9909 5.9951 6.3418 6.3445 6.5152 6.5333 6.5704 6.5752 6.7337 6.7363 6.8400 6.8681 6.9634 6.9725 7.0240 7.0396 7.0853 7.0938 7.2177 7.2502 7.4400 7.4498 7.5059 7.5172 8.9703 8.9719 10.5024 10.5051 11.7296 11.7305 12.4609 12.4849 12.6035 12.6057 k = 0.0000 0.0239-0.0000 ( 3925 PWs) bands (ev): -3.7181 -3.7181 -0.8842 -0.8841 -0.1112 -0.1112 1.2677 1.2677 3.4465 3.4471 4.4669 4.4672 5.7843 5.7845 6.0672 6.0725 6.3444 6.3456 6.4829 6.4942 6.5728 6.5775 6.6948 6.7030 6.8232 6.8497 6.9634 6.9693 7.0387 7.0491 7.0896 7.1011 7.1894 7.2173 7.4324 7.4413 7.4689 7.4747 8.9468 8.9479 10.4956 10.4974 11.7297 11.7303 12.4679 12.4818 12.6088 12.6099 k = 0.0000 0.0120-0.0000 ( 3913 PWs) bands (ev): -3.7223 -3.7223 -0.8820 -0.8820 -0.1136 -0.1136 1.2953 1.2953 3.4108 3.4110 4.4772 4.4774 5.8047 5.8047 6.1590 6.1638 6.3448 6.3448 6.4225 6.4298 6.5756 6.5781 6.6772 6.6851 6.8172 6.8331 6.9641 6.9670 7.0497 7.0551 7.0994 7.1108 7.1681 7.1876 7.4255 7.4316 7.4521 7.4535 8.9328 8.9333 10.4918 10.4927 11.7297 11.7300 12.4719 12.4783 12.6122 12.6127 k = 0.0000 0.0000 0.0000 ( 3915 PWs) bands (ev): -3.7237 -3.7237 -0.8813 -0.8813 -0.1144 -0.1144 1.3047 1.3047 3.3986 3.3986 4.4808 4.4808 5.8101 5.8101 6.2167 6.2167 6.3401 6.3401 6.3848 6.3848 6.5775 6.5775 6.6767 6.6767 6.8212 6.8212 6.9653 6.9653 7.0552 7.0552 7.1110 7.1110 7.1667 7.1667 7.4242 7.4242 7.4482 7.4482 8.9283 8.9283 10.4908 10.4908 11.7299 11.7299 12.4751 12.4751 12.6135 12.6135 k = 0.0000 0.0000 0.0000 ( 3915 PWs) bands (ev): -3.7237 -3.7237 -0.8813 -0.8813 -0.1144 -0.1144 1.3047 1.3047 3.3986 3.3986 4.4808 4.4808 5.8101 5.8101 6.2167 6.2167 6.3401 6.3401 6.3848 6.3848 6.5775 6.5775 6.6767 6.6767 6.8212 6.8212 6.9653 6.9653 7.0552 7.0552 7.1110 7.1110 7.1667 7.1667 7.4242 7.4242 7.4482 7.4482 8.9283 8.9283 10.4908 10.4908 11.7299 11.7299 12.4751 12.4751 12.6135 12.6135 k = 0.0000 0.0000 0.0122 ( 3911 PWs) bands (ev): -3.7222 -3.7222 -0.8945 -0.8945 -0.1024 -0.1023 1.3050 1.3050 3.4012 3.4012 4.4815 4.4816 5.8102 5.8102 6.1757 6.1815 6.3409 6.3482 6.3836 6.3936 6.5798 6.5844 6.6911 6.6921 6.8204 6.8315 6.9643 6.9675 7.0452 7.0566 7.1008 7.1107 7.1724 7.1863 7.4262 7.4268 7.4501 7.4504 8.9312 8.9322 10.4823 10.4832 11.7320 11.7374 12.4539 12.4567 12.6135 12.6143 k = 0.0000 0.0000 0.0243 ( 3915 PWs) bands (ev): -3.7178 -3.7178 -0.9318 -0.9317 -0.0684 -0.0683 1.3058 1.3058 3.4089 3.4089 4.4837 4.4838 5.8103 5.8103 6.0902 6.0968 6.3426 6.3529 6.3882 6.3963 6.5850 6.5915 6.7230 6.7351 6.8351 6.8490 6.9652 6.9714 7.0284 7.0519 7.0931 7.1017 7.1992 7.2164 7.4306 7.4319 7.4590 7.4595 8.9411 8.9431 10.4583 10.4601 11.7428 11.7538 12.3949 12.4006 12.6149 12.6165 k = 0.0000 0.0000 0.0365 ( 3923 PWs) bands (ev): -3.7106 -3.7106 -0.9878 -0.9877 -0.0179 -0.0178 1.3071 1.3071 3.4215 3.4215 4.4877 4.4879 5.8104 5.8105 5.9866 5.9923 6.3418 6.3542 6.3877 6.3911 6.5877 6.5942 6.7469 6.7857 6.8698 6.8742 6.9714 6.9792 7.0111 7.0449 7.0883 7.0954 7.2328 7.2502 7.4337 7.4352 7.4810 7.4814 8.9578 8.9607 10.4204 10.4227 11.7589 11.7760 12.3054 12.3147 12.6185 12.6211 k = 0.0000 0.0000 0.0486 ( 3921 PWs) bands (ev): -3.7004 -3.7004 -1.0569 -1.0568 0.0437 0.0437 1.3088 1.3088 3.4385 3.4386 4.4938 4.4941 5.8104 5.8106 5.8751 5.8798 6.3382 6.3545 6.3811 6.3829 6.5879 6.5948 6.7582 6.8178 6.9033 6.9075 6.9908 6.9942 6.9994 7.0412 7.0848 7.0947 7.2683 7.2852 7.4351 7.4367 7.5183 7.5186 8.9813 8.9853 10.3705 10.3730 11.7737 11.7976 12.1987 12.2123 12.6239 12.6277 k = 0.0000 0.0000 0.0608 ( 3919 PWs) bands (ev): -3.6873 -3.6873 -1.1350 -1.1349 0.1120 0.1120 1.3109 1.3109 3.4596 3.4596 4.5026 4.5030 5.7589 5.7633 5.8114 5.8116 6.3312 6.3539 6.3709 6.3752 6.5866 6.5944 6.7626 6.8282 6.9244 6.9298 6.9890 7.0102 7.0337 7.0454 7.0816 7.1043 7.3049 7.3208 7.4356 7.4375 7.5712 7.5715 9.0116 9.0165 10.3106 10.3131 11.7720 11.8023 12.0973 12.1149 12.6285 12.6351 k = 0.0000 0.0000 0.0729 ( 3919 PWs) bands (ev): -3.6713 -3.6712 -1.2189 -1.2188 0.1839 0.1840 1.3134 1.3134 3.4838 3.4839 4.5149 4.5153 5.6428 5.6466 5.8115 5.8115 6.3205 6.3491 6.3623 6.3701 6.5841 6.5934 6.7632 6.8246 6.9391 6.9403 6.9870 7.0182 7.0499 7.0736 7.0838 7.1286 7.3433 7.3577 7.4358 7.4382 7.6379 7.6382 9.0486 9.0545 10.2428 10.2451 11.7270 11.7557 12.0411 12.0544 12.5895 12.6116 k = 0.0000 0.0000 0.0851 ( 3915 PWs) bands (ev): -3.6524 -3.6523 -1.3066 -1.3065 0.2576 0.2577 1.3162 1.3162 3.5105 3.5105 4.5312 4.5317 5.5269 5.5302 5.8116 5.8117 6.3074 6.3365 6.3602 6.3674 6.5807 6.5917 6.7614 6.8140 6.9460 6.9489 6.9916 7.0249 7.0485 7.0733 7.1200 7.1569 7.3838 7.3968 7.4366 7.4401 7.7147 7.7148 9.0920 9.0989 10.1686 10.1705 11.6298 11.6497 12.0418 12.0433 12.5228 12.5497 k = 0.0000 0.0000 0.0972 ( 3915 PWs) bands (ev): -3.6306 -3.6306 -1.3967 -1.3966 0.3316 0.3316 1.3191 1.3191 3.5387 3.5387 4.5525 4.5531 5.4126 5.4156 5.8119 5.8120 6.2934 6.3214 6.3604 6.3662 6.5762 6.5891 6.7583 6.8012 6.9495 6.9527 7.0026 7.0332 7.0437 7.0699 7.1507 7.1807 7.4185 7.4273 7.4499 7.4516 7.7964 7.7966 9.1418 9.1496 10.0896 10.0909 11.5056 11.5187 12.0582 12.0672 12.4527 12.4844 k = 0.0000 0.0000 0.1094 ( 3917 PWs) bands (ev): -3.6059 -3.6059 -1.4882 -1.4881 0.4050 0.4050 1.3220 1.3220 3.5673 3.5674 4.5794 4.5801 5.3009 5.3037 5.8119 5.8122 6.2797 6.3063 6.3611 6.3660 6.5706 6.5853 6.7551 6.7887 6.9516 6.9525 7.0159 7.0364 7.0441 7.0674 7.1738 7.1988 7.4285 7.4307 7.4910 7.4942 7.8777 7.8784 9.1977 9.2065 10.0068 10.0075 11.3756 11.3845 12.0774 12.0949 12.3853 12.4222 k = 0.0000 0.0000 0.1215 ( 3909 PWs) bands (ev): -3.5784 -3.5784 -1.5804 -1.5803 0.4770 0.4770 1.3249 1.3249 3.5955 3.5957 4.6121 4.6128 5.1931 5.1957 5.8119 5.8123 6.2671 6.2920 6.3623 6.3664 6.5638 6.5801 6.7525 6.7781 6.9504 6.9527 7.0267 7.0286 7.0557 7.0676 7.1910 7.2124 7.4296 7.4302 7.5419 7.5456 7.9537 7.9550 9.2594 9.2691 9.9211 9.9212 11.2510 11.2571 12.0848 12.1076 12.3324 12.3726 k = 0.0000 0.0000 0.1337 ( 3903 PWs) bands (ev): -3.5480 -3.5480 -1.6728 -1.6727 0.5473 0.5473 1.3275 1.3276 3.6224 3.6227 4.6497 4.6505 5.0911 5.0936 5.8116 5.8121 6.2562 6.2794 6.3636 6.3673 6.5559 6.5733 6.7511 6.7700 6.9468 6.9525 7.0195 7.0312 7.0682 7.0732 7.2040 7.2227 7.4293 7.4294 7.5965 7.6003 8.0199 8.0218 9.3265 9.3372 9.8326 9.8335 11.1388 11.1428 12.0656 12.0846 12.3129 12.3482 k = 0.0000 0.0000 0.1458 ( 3909 PWs) bands (ev): -3.5148 -3.5148 -1.7649 -1.7648 0.6153 0.6154 1.3297 1.3298 3.6476 3.6480 4.6880 4.6888 4.9999 5.0021 5.8109 5.8115 6.2473 6.2686 6.3652 6.3686 6.5469 6.5649 6.7513 6.7647 6.9420 6.9511 7.0094 7.0294 7.0808 7.0836 7.2140 7.2308 7.4280 7.4284 7.6534 7.6575 8.0719 8.0744 9.3988 9.4102 9.7427 9.7443 11.0441 11.0465 12.0162 12.0259 12.3262 12.3512 k = 0.0000 0.0000 0.1580 ( 3915 PWs) bands (ev): -3.4787 -3.4787 -1.8563 -1.8562 0.6810 0.6810 1.3314 1.3314 3.6707 3.6713 4.7122 4.7124 4.9351 4.9367 5.8098 5.8106 6.2410 6.2603 6.3671 6.3702 6.5371 6.5552 6.7530 6.7623 6.9359 6.9486 6.9984 7.0242 7.0932 7.0957 7.2219 7.2373 7.4266 7.4273 7.7122 7.7166 8.1062 8.1093 9.4757 9.4878 9.6521 9.6543 10.9712 10.9722 11.9470 11.9492 12.3541 12.3710 k = 0.0000 0.0000 0.1701 ( 3915 PWs) bands (ev): -3.4399 -3.4399 -1.9469 -1.9468 0.7439 0.7440 1.3323 1.3323 3.6920 3.6926 4.6896 4.6905 4.9283 4.9288 5.8082 5.8092 6.2376 6.2547 6.3693 6.3723 6.5268 6.5445 6.7563 6.7625 6.9285 6.9446 6.9866 7.0171 7.1053 7.1078 7.2284 7.2427 7.4252 7.4261 7.7724 7.7774 8.1203 8.1240 9.5538 9.5542 9.5664 9.5767 10.9225 10.9228 11.8658 11.8682 12.3855 12.3973 k = 0.0000 0.0000 0.1823 ( 3911 PWs) bands (ev): -3.3982 -3.3982 -2.0363 -2.0362 0.8040 0.8040 1.3321 1.3322 3.7116 3.7124 4.6247 4.6262 4.9744 4.9746 5.8060 5.8073 6.2376 6.2525 6.3717 6.3747 6.5163 6.5331 6.7610 6.7649 6.9197 6.9389 6.9739 7.0085 7.1168 7.1193 7.2336 7.2472 7.4240 7.4250 7.8332 7.8387 8.1139 8.1181 9.4677 9.4723 9.6426 9.6573 10.8982 10.8998 11.7806 11.7857 12.4158 12.4245 k = 0.0000 0.0000 0.1944 ( 3910 PWs) bands (ev): -3.3538 -3.3538 -2.1244 -2.1243 0.8611 0.8611 1.3308 1.3309 3.7303 3.7312 4.5466 4.5483 5.0437 5.0439 5.8029 5.8044 6.2415 6.2541 6.3744 6.3775 6.5058 6.5215 6.7669 6.7692 6.9092 6.9307 6.9608 6.9984 7.1279 7.1302 7.2378 7.2507 7.4231 7.4242 7.8923 7.8980 8.0902 8.0947 9.3764 9.3815 9.7313 9.7467 10.8974 10.9007 11.6971 11.7035 12.4419 12.4490 k = 0.0000 0.0000 0.2066 ( 3906 PWs) bands (ev): -3.3067 -3.3066 -2.2110 -2.2109 0.9150 0.9151 1.3280 1.3281 3.7487 3.7498 4.4669 4.4687 5.1230 5.1232 5.7987 5.8006 6.2502 6.2603 6.3775 6.3806 6.4955 6.5098 6.7739 6.7750 6.8965 6.9185 6.9479 6.9867 7.1387 7.1406 7.2410 7.2534 7.4228 7.4240 7.9385 7.9426 8.0647 8.0675 9.2854 9.2909 9.8231 9.8392 10.9154 10.9207 11.6194 11.6257 12.4611 12.4678 k = 0.0000 0.0000 0.2187 ( 3902 PWs) bands (ev): -3.2568 -3.2568 -2.2959 -2.2958 0.9657 0.9658 1.3235 1.3236 3.7676 3.7687 4.3894 4.3912 5.2068 5.2069 5.7932 5.7953 6.2643 6.2718 6.3808 6.3842 6.4857 6.4986 6.7817 6.7820 6.8813 6.9011 6.9360 6.9733 7.1492 7.1504 7.2430 7.2551 7.4235 7.4247 7.9307 7.9324 8.0800 8.0830 9.1948 9.2008 9.9177 9.9344 10.9430 10.9511 11.5540 11.5591 12.4693 12.4766 k = 0.0000 0.0000 0.2309 ( 3894 PWs) bands (ev): -3.2042 -3.2042 -2.3790 -2.3789 1.0130 1.0131 1.3170 1.3171 3.7877 3.7889 4.3154 4.3172 5.2912 5.2918 5.7860 5.7885 6.2848 6.2894 6.3846 6.3882 6.4767 6.4880 6.7896 6.7900 6.8628 6.8778 6.9249 6.9581 7.1596 7.1599 7.2439 7.2557 7.4255 7.4267 7.8719 7.8760 8.1352 8.1408 9.1049 9.1113 10.0144 10.0318 10.9656 10.9777 11.5122 11.5147 12.4604 12.4693 k = 0.0000 0.0000 0.2430 ( 3902 PWs) bands (ev): -3.1490 -3.1490 -2.4602 -2.4602 1.0569 1.0570 1.3083 1.3084 3.8097 3.8111 4.2457 4.2475 5.3733 5.3744 5.7766 5.7795 6.3124 6.3136 6.3888 6.3925 6.4689 6.4785 6.7965 6.7979 6.8405 6.8489 6.9140 6.9415 7.1691 7.1700 7.2432 7.2548 7.4294 7.4306 7.7999 7.8048 8.2028 8.2094 9.0159 9.0226 10.1128 10.1307 10.9652 10.9813 11.5080 11.5084 12.4281 12.4381 k = 0.0000 0.0000 0.2552 ( 3898 PWs) bands (ev): -3.0912 -3.0911 -2.5394 -2.5394 1.0973 1.0974 1.2972 1.2973 3.8344 3.8358 4.1807 4.1825 5.4501 5.4519 5.7645 5.7677 6.3443 6.3473 6.3936 6.3975 6.4636 6.4709 6.7916 6.7958 6.8234 6.8236 6.9030 6.9245 7.1784 7.1806 7.2410 7.2523 7.4359 7.4371 7.7267 7.7317 8.2752 8.2823 8.9279 8.9349 10.2124 10.2308 10.9318 10.9507 11.5471 11.5493 12.3692 12.3786 k = 0.0000 0.0000 0.2673 ( 3894 PWs) bands (ev): -3.0307 -3.0307 -2.6165 -2.6165 1.1342 1.1343 1.2834 1.2835 3.8624 3.8639 4.1206 4.1224 5.5193 5.5218 5.7489 5.7524 6.3769 6.3863 6.3997 6.4030 6.4650 6.4685 6.7579 6.7586 6.8256 6.8275 6.8918 6.9077 7.1878 7.1914 7.2370 7.2480 7.4461 7.4473 7.6584 7.6629 8.3505 8.3579 8.8411 8.8483 10.3126 10.3315 10.8707 10.8908 11.6239 11.6262 12.2864 12.2939 k = 0.0000 0.0000 0.2795 ( 3894 PWs) bands (ev): -2.9678 -2.9677 -2.6914 -2.6914 1.1676 1.1677 1.2667 1.2668 3.8940 3.8956 4.0655 4.0673 5.5794 5.5824 5.7289 5.7326 6.3969 6.4075 6.4087 6.4167 6.4850 6.4852 6.7071 6.7094 6.8352 6.8377 6.8803 6.8917 7.1972 7.2025 7.2313 7.2417 7.4610 7.4624 7.5988 7.6026 8.4280 8.4355 8.7555 8.7629 10.4127 10.4320 10.7922 10.8125 11.7244 11.7260 12.1857 12.1909 k = 0.0000 0.0000 0.2916 ( 3894 PWs) bands (ev): -2.9023 -2.9022 -2.7641 -2.7640 1.1975 1.1976 1.2469 1.2470 3.9299 3.9315 4.0154 4.0172 5.6297 5.6332 5.7032 5.7071 6.4045 6.4122 6.4135 6.4223 6.5306 6.5317 6.6490 6.6525 6.8461 6.8497 6.8688 6.8767 7.2066 7.2134 7.2241 7.2336 7.4821 7.4838 7.5496 7.5526 8.5074 8.5149 8.6713 8.6788 10.5120 10.5317 10.7038 10.7240 11.8380 11.8384 12.0738 12.0767 k = 0.0000 0.0000 0.3038 ( 3904 PWs) bands (ev): -2.8344 -2.8344 -2.8343 -2.8343 1.2239 1.2239 1.2240 1.2240 3.9703 3.9703 3.9720 3.9720 5.6706 5.6706 5.6744 5.6744 6.4095 6.4095 6.4189 6.4189 6.5883 6.5883 6.5913 6.5913 6.8573 6.8573 6.8627 6.8627 7.2156 7.2156 7.2239 7.2239 7.5111 7.5111 7.5133 7.5133 8.5885 8.5885 8.5961 8.5961 10.6095 10.6095 10.6295 10.6295 11.9562 11.9562 11.9573 11.9573 k = 0.0000 0.0000 0.3038 ( 3904 PWs) bands (ev): -2.8344 -2.8344 -2.8343 -2.8343 1.2239 1.2239 1.2240 1.2240 3.9703 3.9703 3.9720 3.9720 5.6706 5.6706 5.6744 5.6744 6.4095 6.4095 6.4189 6.4189 6.5883 6.5883 6.5913 6.5913 6.8573 6.8573 6.8627 6.8627 7.2156 7.2156 7.2239 7.2239 7.5111 7.5111 7.5133 7.5133 8.5885 8.5885 8.5961 8.5961 10.6095 10.6095 10.6295 10.6295 11.9562 11.9562 11.9573 11.9573 k = 0.0122-0.0000 0.3038 ( 3892 PWs) bands (ev): -2.8332 -2.8332 -2.8331 -2.8330 1.2236 1.2237 1.2242 1.2243 3.9701 3.9717 3.9727 3.9744 5.6709 5.6717 5.6748 5.6754 6.4040 6.4111 6.4131 6.4207 6.5867 6.5885 6.5893 6.5936 6.8532 6.8597 6.8598 6.8638 7.2141 7.2153 7.2217 7.2243 7.5090 7.5124 7.5129 7.5140 8.5769 8.5839 8.5868 8.5948 10.6142 10.6194 10.6352 10.6382 11.9566 11.9568 11.9576 11.9600 k = 0.0244-0.0000 0.3038 ( 3896 PWs) bands (ev): -2.8296 -2.8295 -2.8293 -2.8292 1.2234 1.2235 1.2245 1.2246 3.9720 3.9737 3.9773 3.9790 5.6726 5.6742 5.6766 5.6779 6.3948 6.4035 6.4083 6.4180 6.5841 6.5851 6.5890 6.5950 6.8474 6.8549 6.8605 6.8631 7.2105 7.2129 7.2174 7.2225 7.5066 7.5112 7.5142 7.5143 8.5530 8.5592 8.5723 8.5804 10.6323 10.6433 10.6543 10.6609 11.9571 11.9588 11.9616 11.9650 k = 0.0366-0.0000 0.3038 ( 3894 PWs) bands (ev): -2.8235 -2.8235 -2.8231 -2.8230 1.2231 1.2232 1.2248 1.2249 3.9761 3.9778 3.9841 3.9859 5.6755 5.6780 5.6796 5.6817 6.3820 6.3904 6.4013 6.4109 6.5801 6.5806 6.5866 6.5943 6.8407 6.8490 6.8600 6.8610 7.2052 7.2088 7.2115 7.2190 7.5041 7.5098 7.5141 7.5153 8.5185 8.5238 8.5463 8.5544 10.6616 10.6796 10.6843 10.6959 11.9578 11.9611 11.9684 11.9729 k = 0.0488-0.0000 0.3038 ( 3898 PWs) bands (ev): -2.8150 -2.8149 -2.8144 -2.8143 1.2228 1.2229 1.2250 1.2252 3.9823 3.9840 3.9931 3.9949 5.6797 5.6831 5.6840 5.6868 6.3661 6.3741 6.3900 6.3994 6.5734 6.5737 6.5810 6.5904 6.8339 6.8429 6.8583 6.8589 7.1983 7.2032 7.2040 7.2136 7.5015 7.5081 7.5136 7.5158 8.4763 8.4804 8.5112 8.5194 10.6987 10.7222 10.7252 10.7404 11.9567 11.9618 11.9782 11.9837 k = 0.0610-0.0000 0.3038 ( 3910 PWs) bands (ev): -2.8040 -2.8040 -2.8032 -2.8032 1.2225 1.2225 1.2252 1.2254 3.9906 3.9923 4.0043 4.0061 5.6848 5.6893 5.6893 5.6930 6.3469 6.3547 6.3743 6.3835 6.5629 6.5633 6.5713 6.5823 6.8283 6.8377 6.8560 6.8582 7.1900 7.1953 7.1962 7.2067 7.4988 7.5061 7.5128 7.5157 8.4290 8.4319 8.4697 8.4778 10.7400 10.7644 10.7768 10.7910 11.9506 11.9577 11.9913 11.9977 k = 0.0732-0.0000 0.3038 ( 3920 PWs) bands (ev): -2.7907 -2.7906 -2.7897 -2.7897 1.2219 1.2220 1.2252 1.2254 4.0008 4.0025 4.0177 4.0195 5.6908 5.6955 5.6964 5.7003 6.3244 6.3321 6.3538 6.3628 6.5480 6.5488 6.5569 6.5690 6.8251 6.8346 6.8551 6.8586 7.1808 7.1857 7.1881 7.1986 7.4960 7.5040 7.5115 7.5151 8.3792 8.3809 8.4244 8.4325 10.7821 10.8073 10.8307 10.8441 11.9342 11.9437 12.0073 12.0143 k = 0.0854-0.0000 0.3038 ( 3920 PWs) bands (ev): -2.7749 -2.7748 -2.7737 -2.7737 1.2211 1.2212 1.2249 1.2251 4.0130 4.0147 4.0331 4.0350 5.6971 5.7021 5.7043 5.7082 6.2981 6.3059 6.3279 6.3368 6.5290 6.5303 6.5379 6.5508 6.8250 6.8345 6.8563 6.8609 7.1711 7.1756 7.1793 7.1895 7.4931 7.5016 7.5098 7.5139 8.3293 8.3297 8.3775 8.3857 10.8216 10.8476 10.8834 10.8963 11.9006 11.9126 12.0230 12.0299 k = 0.0976-0.0000 0.3038 ( 3914 PWs) bands (ev): -2.7567 -2.7566 -2.7554 -2.7554 1.2200 1.2200 1.2243 1.2245 4.0269 4.0286 4.0505 4.0525 5.7033 5.7087 5.7123 5.7164 6.2677 6.2756 6.2958 6.3045 6.5073 6.5092 6.5153 6.5283 6.8282 6.8376 6.8600 6.8652 7.1611 7.1653 7.1701 7.1798 7.4902 7.4991 7.5077 7.5121 8.2802 8.2810 8.3310 8.3393 10.8555 10.8824 10.9316 10.9444 11.8439 11.8583 12.0128 12.0129 k = 0.1098-0.0000 0.3038 ( 3922 PWs) bands (ev): -2.7362 -2.7361 -2.7347 -2.7347 1.2184 1.2184 1.2232 1.2234 4.0425 4.0442 4.0700 4.0720 5.7086 5.7143 5.7199 5.7241 6.2326 6.2407 6.2568 6.2656 6.4848 6.4873 6.4905 6.5033 6.8342 6.8434 6.8657 6.8713 7.1511 7.1551 7.1607 7.1697 7.4872 7.4963 7.5050 7.5095 8.2335 8.2355 8.2861 8.2945 10.8813 10.9093 10.9725 10.9857 11.7635 11.7801 11.9035 11.9117 k = 0.1220-0.0000 0.3038 ( 3922 PWs) bands (ev): -2.7133 -2.7132 -2.7117 -2.7116 1.2162 1.2162 1.2215 1.2218 4.0595 4.0613 4.0913 4.0934 5.7117 5.7177 5.7261 5.7304 6.1933 6.2017 6.2120 6.2210 6.4635 6.4655 6.4664 6.4778 6.8427 6.8516 6.8733 6.8790 7.1414 7.1452 7.1513 7.1594 7.4840 7.4932 7.5018 7.5062 8.1903 8.1935 8.2438 8.2523 10.8968 10.9261 11.0037 11.0179 11.6646 11.6832 11.7647 11.7758 k = 0.1341-0.0000 0.3038 ( 3922 PWs) bands (ev): -2.6882 -2.6881 -2.6863 -2.6863 1.2132 1.2132 1.2191 1.2193 4.0779 4.0798 4.1143 4.1165 5.7106 5.7170 5.7293 5.7337 6.1511 6.1597 6.1636 6.1728 6.4417 6.4443 6.4475 6.4533 6.8530 6.8617 6.8823 6.8880 7.1322 7.1358 7.1420 7.1493 7.4806 7.4898 7.4980 7.5021 8.1512 8.1553 8.2044 8.2130 10.8998 10.9306 11.0229 11.0391 11.5544 11.5750 11.6202 11.6341 k = 0.1463-0.0000 0.3038 ( 3910 PWs) bands (ev): -2.6608 -2.6607 -2.6588 -2.6588 1.2094 1.2094 1.2157 1.2160 4.0974 4.0993 4.1390 4.1413 5.7028 5.7094 5.7272 5.7316 6.1092 6.1159 6.1177 6.1253 6.4201 6.4277 6.4311 6.4311 6.8645 6.8729 6.8920 6.8977 7.1236 7.1270 7.1331 7.1393 7.4769 7.4861 7.4936 7.4971 8.1161 8.1210 8.1683 8.1768 10.8879 10.9202 11.0273 11.0469 11.4401 11.4629 11.4759 11.4936 k = 0.1585-0.0000 0.3038 ( 3914 PWs) bands (ev): -2.6312 -2.6311 -2.6290 -2.6290 1.2044 1.2045 1.2113 1.2116 4.1178 4.1197 4.1650 4.1675 5.6846 5.6909 5.7168 5.7207 6.0717 6.0741 6.0797 6.0832 6.4011 6.4115 6.4136 6.4171 6.8769 6.8850 6.9021 6.9077 7.1157 7.1189 7.1247 7.1296 7.4729 7.4821 7.4884 7.4913 8.0847 8.0902 8.1351 8.1437 10.8579 10.8914 11.0119 11.0365 11.3289 11.3380 11.3535 11.3610 k = 0.1707-0.0000 0.3038 ( 3910 PWs) bands (ev): -2.5995 -2.5993 -2.5971 -2.5971 1.1982 1.1983 1.2056 1.2059 4.1386 4.1406 4.1923 4.1950 5.6531 5.6584 5.6950 5.6981 6.0432 6.0433 6.0504 6.0515 6.3849 6.3950 6.4019 6.4055 6.8897 6.8974 6.9122 6.9176 7.1086 7.1116 7.1168 7.1204 7.4686 7.4776 7.4825 7.4846 8.0568 8.0629 8.1047 8.1133 10.8066 10.8398 10.9666 10.9957 11.2201 11.2278 11.2477 11.2528 k = 0.1829-0.0000 0.3038 ( 3904 PWs) bands (ev): -2.5656 -2.5655 -2.5631 -2.5631 1.1906 1.1906 1.1984 1.1987 4.1595 4.1615 4.2205 4.2234 5.6078 5.6117 5.6608 5.6628 6.0252 6.0268 6.0322 6.0324 6.3716 6.3813 6.3927 6.3962 6.9026 6.9098 6.9218 6.9271 7.1024 7.1052 7.1097 7.1116 7.4639 7.4728 7.4758 7.4769 8.0320 8.0385 8.0769 8.0854 10.7320 10.7626 10.8817 10.9082 11.1397 11.1417 11.1647 11.1648 k = 0.1951-0.0000 0.3038 ( 3912 PWs) bands (ev): -2.5298 -2.5297 -2.5271 -2.5271 1.1813 1.1814 1.1895 1.1898 4.1801 4.1821 4.2493 4.2523 5.5512 5.5535 5.6160 5.6169 6.0184 6.0211 6.0241 6.0253 6.3611 6.3706 6.3858 6.3892 6.9154 6.9218 6.9306 6.9359 7.0973 7.0998 7.1034 7.1034 7.4588 7.4677 7.4683 7.4683 8.0097 8.0166 8.0511 8.0595 10.6365 10.6627 10.7646 10.7841 11.0694 11.0881 11.0888 11.1063 k = 0.2073-0.0000 0.3038 ( 3912 PWs) bands (ev): -2.4920 -2.4919 -2.4891 -2.4891 1.1702 1.1703 1.1788 1.1791 4.1997 4.2018 4.2781 4.2813 5.4877 5.4886 5.5648 5.5649 6.0197 6.0235 6.0243 6.0265 6.3537 6.3631 6.3814 6.3847 6.9277 6.9331 6.9383 6.9436 7.0932 7.0955 7.0959 7.0982 7.4535 7.4587 7.4600 7.4622 7.9897 7.9968 8.0272 8.0354 10.5256 10.5471 10.6315 10.6457 11.0056 11.0210 11.0443 11.0571 k = 0.2195-0.0000 0.3038 ( 3904 PWs) bands (ev): -2.4524 -2.4523 -2.4493 -2.4493 1.1571 1.1572 1.1660 1.1664 4.2179 4.2200 4.3064 4.3099 5.4212 5.4215 5.5109 5.5116 6.0261 6.0298 6.0309 6.0330 6.3495 6.3589 6.3798 6.3828 6.9392 6.9431 6.9446 6.9499 7.0894 7.0904 7.0924 7.0944 7.4479 7.4483 7.4510 7.4565 7.9716 7.9788 8.0046 8.0127 10.4051 10.4227 10.4925 10.5031 10.9449 10.9571 10.9993 11.0086 k = 0.2317-0.0000 0.3038 ( 3900 PWs) bands (ev): -2.4111 -2.4109 -2.4077 -2.4077 1.1417 1.1418 1.1510 1.1514 4.2337 4.2359 4.3333 4.3371 5.3548 5.3562 5.4587 5.4598 6.0352 6.0383 6.0409 6.0423 6.3489 6.3582 6.3810 6.3838 6.9493 6.9495 6.9515 6.9546 7.0839 7.0885 7.0903 7.0922 7.4371 7.4412 7.4423 7.4506 7.9549 7.9622 7.9831 7.9910 10.2796 10.2941 10.3522 10.3604 10.8841 10.8938 10.9505 10.9574 k = 0.2439-0.0000 0.3038 ( 3894 PWs) bands (ev): -2.3681 -2.3679 -2.3645 -2.3645 1.1240 1.1241 1.1337 1.1340 4.2466 4.2488 4.3580 4.3621 5.2926 5.2948 5.4109 5.4124 6.0453 6.0480 6.0516 6.0525 6.3522 6.3615 6.3854 6.3879 6.9523 6.9577 6.9578 6.9581 7.0798 7.0875 7.0890 7.0919 7.4252 7.4309 7.4367 7.4449 7.9393 7.9467 7.9623 7.9700 10.1522 10.1642 10.2128 10.2193 10.8215 10.8294 10.8974 10.9027 k = 0.2561-0.0000 0.3038 ( 3898 PWs) bands (ev): -2.3235 -2.3234 -2.3197 -2.3197 1.1039 1.1040 1.1137 1.1141 4.2558 4.2580 4.3791 4.3835 5.2371 5.2401 5.3699 5.3715 6.0552 6.0578 6.0617 6.0623 6.3597 6.3688 6.3932 6.3952 6.9536 6.9591 6.9617 6.9645 7.0773 7.0869 7.0883 7.0934 7.4127 7.4202 7.4313 7.4393 7.9246 7.9319 7.9419 7.9493 10.0247 10.0349 10.0755 10.0808 10.7566 10.7633 10.8403 10.8444 k = 0.2683-0.0000 0.3038 ( 3890 PWs) bands (ev): -2.2777 -2.2775 -2.2736 -2.2736 1.0811 1.0812 1.0912 1.0916 4.2608 4.2629 4.3953 4.4000 5.1908 5.1943 5.3373 5.3388 6.0642 6.0667 6.0704 6.0709 6.3715 6.3805 6.4043 6.4058 6.9536 6.9591 6.9632 6.9684 7.0766 7.0865 7.0878 7.0968 7.4000 7.4092 7.4264 7.4342 7.9104 7.9177 7.9216 7.9288 9.8987 9.9074 9.9414 9.9457 10.6897 10.6955 10.7799 10.7830 k = 0.2805-0.0000 0.3038 ( 3890 PWs) bands (ev): -2.2306 -2.2304 -2.2263 -2.2263 1.0557 1.0558 1.0660 1.0664 4.2612 4.2632 4.4054 4.4102 5.1557 5.1596 5.3140 5.3155 6.0715 6.0742 6.0772 6.0776 6.3874 6.3963 6.4188 6.4197 6.9522 6.9578 6.9623 6.9696 7.0775 7.0854 7.0868 7.1013 7.3874 7.3983 7.4223 7.4297 7.8967 7.9014 7.9039 7.9082 9.7750 9.7826 9.8108 9.8143 10.6211 10.6262 10.7168 10.7193 k = 0.2927-0.0000 0.3038 ( 3882 PWs) bands (ev): -2.1825 -2.1823 -2.1780 -2.1779 1.0277 1.0278 1.0382 1.0386 4.2570 4.2589 4.4083 4.4131 5.1333 5.1375 5.3006 5.3020 6.0770 6.0798 6.0819 6.0825 6.4073 6.4160 6.4364 6.4367 6.9499 6.9555 6.9594 6.9681 7.0797 7.0833 7.0849 7.1065 7.3753 7.3879 7.4193 7.4263 7.8810 7.8833 7.8874 7.8904 9.6545 9.6610 9.6844 9.6872 10.5514 10.5560 10.6520 10.6540 k = 0.3049-0.0000 0.3038 ( 3892 PWs) bands (ev): -2.1336 -2.1334 -2.1288 -2.1288 0.9972 0.9973 1.0078 1.0082 4.2486 4.2504 4.4038 4.4084 5.1243 5.1284 5.2970 5.2982 6.0804 6.0835 6.0847 6.0855 6.4304 6.4390 6.4564 6.4567 6.9466 6.9522 6.9547 6.9642 7.0796 7.0815 7.0824 7.1113 7.3644 7.3784 7.4176 7.4240 7.8601 7.8661 7.8699 7.8770 9.5375 9.5433 9.5625 9.5647 10.4813 10.4856 10.5863 10.5879 k = 0.3171-0.0000 0.3038 ( 3876 PWs) bands (ev): -2.0841 -2.0839 -2.0790 -2.0790 0.9642 0.9644 0.9750 0.9754 4.2367 4.2383 4.3926 4.3969 5.1281 5.1321 5.3027 5.3038 6.0819 6.0853 6.0858 6.0869 6.4563 6.4647 6.4785 6.4794 6.9428 6.9483 6.9486 6.9585 7.0741 7.0766 7.0848 7.1150 7.3554 7.3703 7.4173 7.4231 7.8390 7.8445 7.8567 7.8638 9.4247 9.4298 9.4455 9.4473 10.4116 10.4156 10.5205 10.5218 k = 0.3293-0.0000 0.3038 ( 3872 PWs) bands (ev): -2.0343 -2.0342 -2.0290 -2.0290 0.9291 0.9293 0.9400 0.9404 4.2222 4.2237 4.3761 4.3801 5.1433 5.1469 5.3168 5.3177 6.0813 6.0850 6.0855 6.0867 6.4842 6.4926 6.5023 6.5038 6.9383 6.9412 6.9437 6.9510 7.0665 7.0698 7.0862 7.1166 7.3489 7.3639 7.4186 7.4234 7.8176 7.8226 7.8436 7.8508 9.3163 9.3208 9.3338 9.3351 10.3430 10.3467 10.4555 10.4564 k = 0.3415-0.0000 0.3038 ( 3868 PWs) bands (ev): -1.9846 -1.9844 -1.9789 -1.9789 0.8922 0.8923 0.9032 0.9035 4.2060 4.2073 4.3561 4.3596 5.1679 5.1711 5.3383 5.3388 6.0787 6.0827 6.0838 6.0853 6.5137 6.5221 6.5275 6.5295 6.9326 6.9333 6.9383 6.9422 7.0569 7.0612 7.0859 7.1156 7.3456 7.3599 7.4212 7.4249 7.7962 7.8004 7.8309 7.8381 9.2126 9.2166 9.2276 9.2285 10.2762 10.2797 10.3919 10.3926 k = 0.3537-0.0000 0.3038 ( 3880 PWs) bands (ev): -1.9352 -1.9350 -1.9292 -1.9292 0.8538 0.8539 0.8648 0.8652 4.1890 4.1902 4.3342 4.3373 5.2001 5.2029 5.3658 5.3661 6.0740 6.0782 6.0809 6.0826 6.5441 6.5527 6.5536 6.5561 6.9230 6.9275 6.9322 6.9322 7.0454 7.0511 7.0837 7.1116 7.3456 7.3582 7.4247 7.4272 7.7750 7.7784 7.8185 7.8260 9.1140 9.1175 9.1272 9.1278 10.2118 10.2151 10.3304 10.3311 k = 0.3659-0.0000 0.3038 ( 3882 PWs) bands (ev): -1.8865 -1.8864 -1.8803 -1.8803 0.8144 0.8145 0.8255 0.8259 4.1722 4.1732 4.3119 4.3146 5.2381 5.2404 5.3983 5.3985 6.0670 6.0715 6.0768 6.0787 6.5750 6.5800 6.5831 6.5838 6.9125 6.9211 6.9212 6.9252 7.0326 7.0399 7.0793 7.1048 7.3487 7.3589 7.4287 7.4296 7.7547 7.7571 7.8070 7.8147 9.0206 9.0237 9.0329 9.0332 10.1505 10.1536 10.2718 10.2723 k = 0.3780-0.0000 0.3038 ( 3890 PWs) bands (ev): -1.8391 -1.8390 -1.8326 -1.8325 0.7746 0.7747 0.7858 0.7861 4.1559 4.1568 4.2903 4.2926 5.2805 5.2823 5.4347 5.4348 6.0577 6.0624 6.0715 6.0735 6.6058 6.6065 6.6100 6.6150 6.9015 6.9097 6.9138 6.9172 7.0189 7.0282 7.0729 7.0955 7.3543 7.3618 7.4314 7.4323 7.7361 7.7372 7.7967 7.8046 8.9327 8.9354 8.9448 8.9449 10.0928 10.0957 10.2166 10.2170 k = 0.3902-0.0000 0.3038 ( 3882 PWs) bands (ev): -1.7934 -1.7932 -1.7865 -1.7865 0.7350 0.7352 0.7463 0.7467 4.1407 4.1416 4.2701 4.2721 5.3261 5.3275 5.4738 5.4742 6.0459 6.0507 6.0649 6.0671 6.6327 6.6363 6.6365 6.6460 6.8904 6.8980 6.9055 6.9081 7.0052 7.0166 7.0646 7.0842 7.3616 7.3662 7.4318 7.4346 7.7198 7.7200 7.7880 7.7962 8.8505 8.8528 8.8631 8.8635 10.0393 10.0420 10.1653 10.1656 k = 0.4024-0.0000 0.3038 ( 3882 PWs) bands (ev): -1.7499 -1.7498 -1.7427 -1.7427 0.6964 0.6966 0.7078 0.7081 4.1270 4.1277 4.2517 4.2534 5.3738 5.3748 5.5149 5.5155 6.0313 6.0362 6.0569 6.0592 6.6581 6.6622 6.6660 6.6762 6.8794 6.8866 6.8961 6.8979 6.9921 7.0055 7.0546 7.0715 7.3697 7.3716 7.4297 7.4345 7.7059 7.7075 7.7815 7.7899 8.7743 8.7762 8.7882 8.7888 9.9904 9.9929 10.1183 10.1185 k = 0.4146-0.0000 0.3038 ( 3882 PWs) bands (ev): -1.7093 -1.7092 -1.7018 -1.7018 0.6596 0.6597 0.6711 0.6713 4.1149 4.1155 4.2354 4.2369 5.4229 5.4234 5.5571 5.5578 6.0138 6.0187 6.0472 6.0496 6.6822 6.6864 6.6942 6.7052 6.8695 6.8762 6.8859 6.8870 6.9799 6.9953 7.0433 7.0577 7.3773 7.3776 7.4248 7.4312 7.6964 7.6992 7.7775 7.7860 8.7044 8.7059 8.7203 8.7211 9.9465 9.9487 10.0760 10.0762 k = 0.4268-0.0000 0.3038 ( 3892 PWs) bands (ev): -1.6722 -1.6721 -1.6644 -1.6644 0.6252 0.6253 0.6368 0.6371 4.1044 4.1049 4.2214 4.2226 5.4725 5.4726 5.5993 5.6003 5.9932 5.9980 6.0357 6.0382 6.7044 6.7085 6.7206 6.7321 6.8613 6.8678 6.8755 6.8760 6.9691 6.9860 7.0308 7.0431 7.3826 7.3847 7.4169 7.4245 7.6915 7.6952 7.7764 7.7846 8.6412 8.6424 8.6599 8.6607 9.9079 9.9098 10.0388 10.0390 k = 0.4390-0.0000 0.3038 ( 3886 PWs) bands (ev): -1.6393 -1.6392 -1.6312 -1.6312 0.5943 0.5944 0.6061 0.6063 4.0957 4.0961 4.2097 4.2106 5.5216 5.5220 5.6407 5.6418 5.9697 5.9742 6.0226 6.0250 6.7239 6.7275 6.7443 6.7562 6.8560 6.8624 6.8659 6.8660 6.9597 6.9775 7.0173 7.0280 7.3873 7.3904 7.4069 7.4149 7.6910 7.6950 7.7780 7.7857 8.5853 8.5862 8.6073 8.6082 9.8748 9.8765 10.0069 10.0070 k = 0.4512-0.0000 0.3038 ( 3894 PWs) bands (ev): -1.6112 -1.6111 -1.6029 -1.6028 0.5676 0.5677 0.5795 0.5796 4.0887 4.0890 4.2002 4.2009 5.5695 5.5702 5.6801 5.6813 5.9434 5.9476 6.0079 6.0102 6.7394 6.7424 6.7643 6.7758 6.8548 6.8581 6.8590 6.8611 6.9516 6.9694 7.0033 7.0125 7.3912 7.3946 7.3961 7.4038 7.6936 7.6975 7.7818 7.7886 8.5374 8.5380 8.5630 8.5639 9.8476 9.8489 9.9806 9.9806 k = 0.4634-0.0000 0.3038 ( 3898 PWs) bands (ev): -1.5885 -1.5885 -1.5800 -1.5800 0.5459 0.5460 0.5579 0.5580 4.0833 4.0835 4.1929 4.1935 5.6150 5.6161 5.7160 5.7172 5.9152 5.9190 5.9923 5.9944 6.7502 6.7524 6.7792 6.7888 6.8543 6.8566 6.8582 6.8642 6.9450 6.9615 6.9895 6.9973 7.3859 7.3925 7.3941 7.3973 7.6979 7.7012 7.7870 7.7925 8.4986 8.4989 8.5276 8.5284 9.8263 9.8273 9.9599 9.9600 k = 0.4756-0.0000 0.3038 ( 3910 PWs) bands (ev): -1.5719 -1.5719 -1.5632 -1.5632 0.5299 0.5299 0.5419 0.5420 4.0795 4.0796 4.1878 4.1882 5.6560 5.6573 5.7461 5.7472 5.8871 5.8901 5.9774 5.9791 6.7566 6.7580 6.7882 6.7945 6.8550 6.8587 6.8651 6.8703 6.9404 6.9537 6.9770 6.9831 7.3778 7.3826 7.3962 7.3986 7.7025 7.7048 7.7923 7.7962 8.4697 8.4698 8.5018 8.5024 9.8110 9.8117 9.9451 9.9451 k = 0.4878-0.0000 0.3038 ( 3904 PWs) bands (ev): -1.5617 -1.5617 -1.5530 -1.5530 0.5200 0.5200 0.5321 0.5322 4.0772 4.0773 4.1848 4.1850 5.6880 5.6890 5.7673 5.7680 5.8635 5.8654 5.9660 5.9670 6.7598 6.7604 6.7925 6.7954 6.8588 6.8618 6.8729 6.8762 6.9389 6.9466 6.9682 6.9718 7.3731 7.3756 7.3978 7.3990 7.7060 7.7072 7.7966 7.7986 8.4518 8.4519 8.4861 8.4864 9.8019 9.8023 9.9361 9.9362 k = 0.5000-0.0000 0.3038 ( 3908 PWs) bands (ev): -1.5583 -1.5583 -1.5495 -1.5495 0.5167 0.5167 0.5288 0.5288 4.0765 4.0765 4.1839 4.1839 5.7015 5.7015 5.7754 5.7754 5.8540 5.8540 5.9619 5.9619 6.7609 6.7609 6.7945 6.7945 6.8620 6.8620 6.8775 6.8775 6.9411 6.9411 6.9660 6.9660 7.3723 7.3723 7.3987 7.3987 7.7077 7.7077 7.7988 7.7988 8.4458 8.4458 8.4809 8.4809 9.7990 9.7990 9.9332 9.9332 k = 0.5000-0.0000 0.3038 ( 3908 PWs) bands (ev): -1.5583 -1.5583 -1.5495 -1.5495 0.5167 0.5167 0.5288 0.5288 4.0765 4.0765 4.1839 4.1839 5.7015 5.7015 5.7754 5.7754 5.8540 5.8540 5.9619 5.9619 6.7609 6.7609 6.7945 6.7945 6.8620 6.8620 6.8775 6.8775 6.9411 6.9411 6.9660 6.9660 7.3723 7.3723 7.3987 7.3987 7.7077 7.7077 7.7988 7.7988 8.4458 8.4458 8.4809 8.4809 9.7990 9.7990 9.9332 9.9332 k = 0.5000 0.0120 0.3038 ( 3908 PWs) bands (ev): -1.5576 -1.5575 -1.5488 -1.5487 0.5166 0.5174 0.5288 0.5296 4.0691 4.0735 4.1754 4.1803 5.6934 5.6998 5.7682 5.7708 5.8577 5.8637 5.9663 5.9688 6.7482 6.7625 6.7858 6.7989 6.8365 6.8533 6.8670 6.8923 6.9401 6.9561 6.9645 6.9927 7.3721 7.3729 7.3984 7.3991 7.7055 7.7069 7.7941 7.7965 8.4506 8.4557 8.4860 8.4874 9.8060 9.8083 9.9399 9.9428 k = 0.5000 0.0239 0.3038 ( 3908 PWs) bands (ev): -1.5553 -1.5552 -1.5465 -1.5464 0.5172 0.5188 0.5294 0.5310 4.0516 4.0602 4.1552 4.1648 5.6767 5.6880 5.7500 5.7554 5.8746 5.8848 5.9809 5.9860 6.7260 6.7492 6.7702 6.7917 6.8147 6.8361 6.8548 6.8867 6.9616 6.9729 6.9936 7.0235 7.3724 7.3740 7.3984 7.3997 7.7006 7.7034 7.7831 7.7877 8.4698 8.4796 8.5023 8.5053 9.8292 9.8338 9.9630 9.9686 k = 0.5000 0.0359 0.3038 ( 3908 PWs) bands (ev): -1.5515 -1.5514 -1.5427 -1.5426 0.5184 0.5209 0.5307 0.5331 4.0247 4.0373 4.1245 4.1383 5.6524 5.6671 5.7222 5.7306 5.9027 5.9154 6.0032 6.0110 6.6956 6.7211 6.7459 6.7610 6.8147 6.8303 6.8454 6.8771 6.9881 6.9999 7.0223 7.0540 7.3731 7.3755 7.3986 7.4005 7.6935 7.6976 7.7674 7.7735 8.5023 8.5162 8.5297 8.5339 9.8680 9.8747 10.0017 10.0100 k = 0.5000 0.0478 0.3038 ( 3896 PWs) bands (ev): -1.5462 -1.5461 -1.5374 -1.5373 0.5202 0.5235 0.5325 0.5357 3.9896 4.0058 4.0847 4.1024 5.6204 5.6378 5.6858 5.6974 5.9395 5.9534 6.0307 6.0415 6.6600 6.6855 6.7164 6.7271 6.8192 6.8313 6.8423 6.8714 7.0139 7.0275 7.0488 7.0827 7.3742 7.3774 7.3989 7.4014 7.6851 7.6904 7.7486 7.7557 8.5466 8.5636 8.5672 8.5727 9.9212 9.9300 10.0551 10.0659 k = 0.5000 0.0598 0.3038 ( 3884 PWs) bands (ev): -1.5394 -1.5393 -1.5307 -1.5306 0.5226 0.5266 0.5349 0.5389 3.9477 3.9671 4.0375 4.0586 5.5805 5.6004 5.6411 5.6561 5.9827 5.9971 6.0614 6.0753 6.6223 6.6480 6.6860 6.6953 6.8250 6.8354 6.8437 6.8698 7.0377 7.0534 7.0726 7.1088 7.3758 7.3798 7.3995 7.4024 7.6764 7.6827 7.7285 7.7361 8.6010 8.6142 8.6205 8.6208 9.9875 9.9982 10.1219 10.1349 k = 0.5000 0.0717 0.3038 ( 3888 PWs) bands (ev): -1.5312 -1.5311 -1.5225 -1.5224 0.5254 0.5302 0.5378 0.5426 3.9002 3.9224 3.9847 4.0087 5.5325 5.5547 5.5883 5.6066 6.0303 6.0447 6.0934 6.1107 6.5850 6.6117 6.6577 6.6675 6.8313 6.8410 6.8477 6.8713 7.0591 7.0770 7.0937 7.1321 7.3776 7.3824 7.4001 7.4035 7.6683 7.6754 7.7084 7.7164 8.6642 8.6698 8.6774 8.6856 10.0651 10.0777 10.2004 10.2155 k = 0.5000 0.0837 0.3038 ( 3876 PWs) bands (ev): -1.5216 -1.5215 -1.5130 -1.5128 0.5285 0.5342 0.5410 0.5467 3.8487 3.8734 3.9280 3.9545 5.4766 5.5010 5.5279 5.5492 6.0803 6.0942 6.1251 6.1461 6.5502 6.5785 6.6338 6.6445 6.8382 6.8477 6.8535 6.8752 7.0785 7.0984 7.1124 7.1528 7.3797 7.3854 7.4009 7.4046 7.6617 7.6695 7.6897 7.6979 8.7334 8.7352 8.7419 8.7579 10.1522 10.1665 10.2890 10.3060 k = 0.5000 0.0957 0.3038 ( 3884 PWs) bands (ev): -1.5106 -1.5105 -1.5021 -1.5019 0.5320 0.5384 0.5445 0.5510 3.7944 3.8213 3.8688 3.8975 5.4132 5.4395 5.4602 5.4841 6.1310 6.1439 6.1547 6.1798 6.5190 6.5491 6.6154 6.6265 6.8453 6.8549 6.8603 6.8806 7.0961 7.1177 7.1289 7.1709 7.3821 7.3886 7.4017 7.4056 7.6573 7.6657 7.6732 7.6819 8.8043 8.8129 8.8136 8.8366 10.2467 10.2628 10.3856 10.4044 k = 0.5000 0.1076 0.3038 ( 3888 PWs) bands (ev): -1.4984 -1.4983 -1.4900 -1.4898 0.5355 0.5428 0.5482 0.5554 3.7387 3.7675 3.8085 3.8390 5.3428 5.3707 5.3862 5.4122 6.1804 6.1810 6.1922 6.2106 6.4928 6.5243 6.6031 6.6139 6.8524 6.8626 6.8674 6.8871 7.1121 7.1350 7.1437 7.1866 7.3847 7.3920 7.4027 7.4066 7.6559 7.6598 7.6649 7.6694 8.8819 8.8919 8.8968 8.9212 10.3466 10.3643 10.4881 10.5087 k = 0.5000 0.1196 0.3038 ( 3888 PWs) bands (ev): -1.4850 -1.4849 -1.4767 -1.4764 0.5391 0.5472 0.5519 0.5599 3.6826 3.7131 3.7483 3.7804 5.2665 5.2956 5.3065 5.3342 6.2033 6.2264 6.2374 6.2377 6.4726 6.5043 6.5969 6.6065 6.8591 6.8705 6.8746 6.8944 7.1270 7.1507 7.1570 7.2001 7.3876 7.3956 7.4037 7.4074 7.6503 7.6578 7.6614 7.6680 8.9655 8.9763 8.9863 9.0112 10.4495 10.4689 10.5943 10.6167 k = 0.5000 0.1315 0.3038 ( 3884 PWs) bands (ev): -1.4705 -1.4703 -1.4622 -1.4620 0.5426 0.5515 0.5554 0.5643 3.6273 3.6592 3.6891 3.7226 5.1850 5.2149 5.2223 5.2511 6.2211 6.2605 6.2658 6.2783 6.4599 6.4896 6.5961 6.6038 6.8652 6.8783 6.8812 6.9018 7.1408 7.1649 7.1690 7.2115 7.3906 7.3992 7.4047 7.4081 7.6454 7.6588 7.6637 7.6758 9.0548 9.0662 9.0809 9.1060 10.5529 10.5742 10.7016 10.7259 k = 0.5000 0.1435 0.3038 ( 3884 PWs) bands (ev): -1.4549 -1.4548 -1.4468 -1.4466 0.5459 0.5556 0.5587 0.5683 3.5735 3.6067 3.6320 3.6667 5.0993 5.1299 5.1343 5.1640 6.2346 6.2790 6.2949 6.3137 6.4571 6.4814 6.5997 6.6053 6.8702 6.8858 6.8870 6.9090 7.1534 7.1774 7.1796 7.2206 7.3937 7.4028 7.4057 7.4086 7.6459 7.6623 7.6740 7.6888 9.1492 9.1611 9.1800 9.2052 10.6542 10.6774 10.8073 10.8336 k = 0.5000 0.1554 0.3038 ( 3892 PWs) bands (ev): -1.4385 -1.4383 -1.4305 -1.4302 0.5488 0.5592 0.5616 0.5720 3.5221 3.5565 3.5776 3.6135 5.0105 5.0413 5.0436 5.0737 6.2446 6.2936 6.3115 6.3411 6.4652 6.4809 6.6065 6.6099 6.8739 6.8917 6.8925 6.9156 7.1647 7.1882 7.1888 7.2274 7.3967 7.4062 7.4066 7.4089 7.6523 7.6725 7.6890 7.7072 9.2480 9.2604 9.2832 9.3084 10.7506 10.7759 10.9083 10.9369 k = 0.5000 0.1674 0.3038 ( 3884 PWs) bands (ev): -1.4212 -1.4210 -1.4134 -1.4131 0.5511 0.5624 0.5639 0.5751 3.4740 3.5093 3.5267 3.5636 4.9193 4.9502 4.9508 4.9812 6.2517 6.3049 6.3176 6.3585 6.4822 6.4898 6.6151 6.6171 6.8765 6.8953 6.8985 6.9214 7.1746 7.1965 7.1972 7.2320 7.3995 7.4073 7.4090 7.4092 7.6650 7.6893 7.7091 7.7311 9.3509 9.3637 9.3901 9.4152 10.8392 10.8669 11.0014 11.0324 k = 0.5000 0.1793 0.3038 ( 3888 PWs) bands (ev): -1.4033 -1.4031 -1.3957 -1.3954 0.5529 0.5648 0.5656 0.5775 3.4296 3.4658 3.4800 3.5177 4.8266 4.8569 4.8574 4.8874 6.2566 6.3135 6.3173 6.3669 6.5028 6.5068 6.6242 6.6264 6.8779 6.8977 6.9033 6.9261 7.1828 7.2026 7.2042 7.2345 7.4019 7.4078 7.4089 7.4118 7.6840 7.7126 7.7342 7.7599 9.4570 9.4703 9.5000 9.5249 10.9174 10.9476 11.0832 11.1170 k = 0.5000 0.1913 0.3038 ( 3892 PWs) bands (ev): -1.3849 -1.3847 -1.3775 -1.3771 0.5539 0.5665 0.5666 0.5790 3.3896 3.4267 3.4378 3.4764 4.7331 4.7624 4.7637 4.7929 6.2600 6.3141 6.3201 6.3696 6.5237 6.5283 6.6332 6.6368 6.8784 6.8992 6.9070 6.9297 7.1893 7.2072 7.2092 7.2351 7.4038 7.4080 7.4088 7.4138 7.7091 7.7417 7.7639 7.7930 9.5658 9.5795 9.6125 9.6372 10.9826 11.0155 11.1510 11.1875 k = 0.5000 0.2033 0.3038 ( 3892 PWs) bands (ev): -1.3661 -1.3659 -1.3589 -1.3586 0.5542 0.5665 0.5675 0.5797 3.3545 3.3924 3.4008 3.4401 4.6395 4.6680 4.6698 4.6983 6.2624 6.3099 6.3253 6.3694 6.5446 6.5501 6.6423 6.6471 6.8781 6.9000 6.9096 6.9323 7.1942 7.2103 7.2123 7.2342 7.4053 7.4080 7.4087 7.4153 7.7396 7.7757 7.7975 7.8297 9.6765 9.6908 9.7271 9.7515 11.0333 11.0687 11.2024 11.2416 k = 0.5000 0.2152 0.3038 ( 3888 PWs) bands (ev): -1.3472 -1.3469 -1.3403 -1.3399 0.5536 0.5657 0.5675 0.5794 3.3248 3.3633 3.3693 3.4093 4.5463 4.5742 4.5763 4.6044 6.2640 6.3055 6.3295 6.3680 6.5645 6.5705 6.6511 6.6571 6.8775 6.9002 6.9113 6.9340 7.1977 7.2120 7.2137 7.2321 7.4064 7.4078 7.4087 7.4163 7.7746 7.8135 7.8342 7.8689 9.7886 9.8034 9.8430 9.8672 11.0686 11.1065 11.2366 11.2782 k = 0.5000 0.2272 0.3038 ( 3884 PWs) bands (ev): -1.3283 -1.3280 -1.3217 -1.3212 0.5522 0.5639 0.5666 0.5782 3.3007 3.3399 3.3435 3.3842 4.4541 4.4816 4.4837 4.5114 6.2652 6.3012 6.3328 6.3661 6.5829 6.5891 6.6593 6.6663 6.8767 6.9000 6.9121 6.9347 7.1998 7.2127 7.2136 7.2292 7.4072 7.4076 7.4086 7.4169 7.8130 7.8542 7.8730 7.9097 9.9010 9.9165 9.9598 9.9837 11.0889 11.1290 11.2544 11.2977 k = 0.5000 0.2391 0.3038 ( 3888 PWs) bands (ev): -1.3096 -1.3093 -1.3033 -1.3029 0.5500 0.5612 0.5649 0.5760 3.2825 3.3223 3.3238 3.3651 4.3633 4.3905 4.3925 4.4201 6.2661 6.2972 6.3356 6.3642 6.5995 6.6058 6.6668 6.6746 6.8759 6.8997 6.9122 6.9347 7.2009 7.2123 7.2124 7.2257 7.4073 7.4077 7.4085 7.4170 7.8537 7.8966 7.9129 7.9513 10.0129 10.0293 10.0766 10.1003 11.0957 11.1376 11.2580 11.3023 k = 0.5000 0.2511 0.3038 ( 3888 PWs) bands (ev): -1.2914 -1.2910 -1.2855 -1.2850 0.5471 0.5577 0.5624 0.5729 3.2704 3.3103 3.3108 3.3522 4.2745 4.3015 4.3032 4.3307 6.2668 6.2936 6.3380 6.3625 6.6144 6.6208 6.6735 6.6818 6.8755 6.8995 6.9118 6.9341 7.2010 7.2101 7.2114 7.2220 7.4071 7.4079 7.4084 7.4169 7.8956 7.9397 7.9530 7.9926 10.1233 10.1408 10.1929 10.2165 11.0912 11.1343 11.2507 11.2953 k = 0.5000 0.2630 0.3038 ( 3892 PWs) bands (ev): -1.2739 -1.2735 -1.2683 -1.2679 0.5435 0.5535 0.5593 0.5691 3.2645 3.3030 3.3055 3.3455 4.1881 4.2149 4.2162 4.2436 6.2674 6.2904 6.3400 6.3609 6.6276 6.6340 6.6794 6.6880 6.8755 6.8994 6.9110 6.9329 7.2004 7.2071 7.2099 7.2183 7.4069 7.4080 7.4083 7.4165 7.9376 7.9826 7.9922 8.0329 10.2309 10.2499 10.3076 10.3313 11.0781 11.1220 11.2363 11.2805 k = 0.5000 0.2750 0.3038 ( 3884 PWs) bands (ev): -1.2572 -1.2568 -1.2522 -1.2517 0.5396 0.5488 0.5557 0.5647 3.2648 3.3018 3.3064 3.3451 4.1045 4.1311 4.1319 4.1594 6.2681 6.2876 6.3419 6.3595 6.6394 6.6458 6.6844 6.6930 6.8761 6.8997 6.9100 6.9315 7.1992 7.2038 7.2081 7.2148 7.4068 7.4080 7.4082 7.4160 7.9788 8.0244 8.0297 8.0713 10.3342 10.3553 10.4197 10.4438 11.0596 11.1037 11.2189 11.2620 k = 0.5000 0.2870 0.3038 ( 3872 PWs) bands (ev): -1.2418 -1.2413 -1.2372 -1.2367 0.5354 0.5437 0.5518 0.5600 3.2711 3.3067 3.3135 3.3508 4.0243 4.0507 4.0508 4.0783 6.2687 6.2851 6.3436 6.3583 6.6497 6.6561 6.6884 6.6969 6.8774 6.9004 6.9089 6.9298 7.1975 7.2003 7.2063 7.2114 7.4067 7.4079 7.4083 7.4154 8.0182 8.0643 8.0646 8.1069 10.4314 10.4552 10.5276 10.5524 11.0394 11.0826 11.2026 11.2440 k = 0.5000 0.2989 0.3038 ( 3868 PWs) bands (ev): -1.2277 -1.2273 -1.2237 -1.2232 0.5313 0.5386 0.5478 0.5550 3.2832 3.3173 3.3265 3.3623 3.9479 3.9734 3.9741 4.0009 6.2693 6.2829 6.3451 6.3572 6.6588 6.6650 6.6914 6.6996 6.8792 6.9014 6.9076 6.9279 7.1954 7.1969 7.2044 7.2084 7.4067 7.4078 7.4084 7.4146 8.0550 8.0962 8.1013 8.1392 10.5199 10.5473 10.6281 10.6543 11.0222 11.0629 11.1913 11.2304 k = 0.5000 0.3109 0.3038 ( 3868 PWs) bands (ev): -1.2153 -1.2148 -1.2119 -1.2113 0.5273 0.5336 0.5440 0.5502 3.3007 3.3330 3.3451 3.3793 3.8763 3.9004 3.9019 3.9276 6.2699 6.2809 6.3465 6.3562 6.6666 6.6727 6.6936 6.7013 6.8814 6.9028 6.9060 6.9258 7.1933 7.1937 7.2027 7.2057 7.4066 7.4076 7.4085 7.4139 8.0884 8.1237 8.1347 8.1673 10.5969 10.6288 10.7151 10.7444 11.0154 11.0505 11.1887 11.2250 k = 0.5000 0.3228 0.3038 ( 3876 PWs) bands (ev): -1.2047 -1.2042 -1.2019 -1.2014 0.5238 0.5289 0.5407 0.5457 3.3228 3.3528 3.3687 3.4010 3.8103 3.8326 3.8351 3.8592 6.2705 6.2792 6.3477 6.3553 6.6733 6.6793 6.6947 6.7020 6.8840 6.9043 6.9045 6.9235 7.1910 7.1911 7.2012 7.2033 7.4066 7.4074 7.4087 7.4131 8.1176 8.1465 8.1639 8.1906 10.6599 10.6968 10.7769 10.8124 11.0312 11.0559 11.1970 11.2304 k = 0.5000 0.3348 0.3038 ( 3876 PWs) bands (ev): -1.1962 -1.1957 -1.1941 -1.1935 0.5210 0.5249 0.5380 0.5418 3.3483 3.3751 3.3963 3.4258 3.7520 3.7716 3.7748 3.7968 6.2712 6.2776 6.3488 6.3544 6.6791 6.6849 6.6951 6.7019 6.8869 6.9025 6.9065 6.9212 7.1888 7.1892 7.2000 7.2014 7.4066 7.4072 7.4090 7.4123 8.1419 8.1641 8.1882 8.2086 10.7077 10.7496 10.8045 10.8478 11.0752 11.0916 11.2151 11.2463 k = 0.5000 0.3467 0.3038 ( 3880 PWs) bands (ev): -1.1899 -1.1893 -1.1884 -1.1879 0.5191 0.5217 0.5361 0.5387 3.3751 3.3966 3.4261 3.4507 3.7046 3.7205 3.7234 3.7423 6.2720 6.2762 6.3499 6.3535 6.6839 6.6896 6.6945 6.7008 6.8898 6.9004 6.9088 6.9187 7.1872 7.1876 7.1991 7.2000 7.4066 7.4070 7.4094 7.4116 8.1608 8.1758 8.2069 8.2208 10.7421 10.7878 10.8071 10.8551 11.1338 11.1520 11.2361 11.2665 k = 0.5000 0.3587 0.3038 ( 3868 PWs) bands (ev): -1.1859 -1.1853 -1.1851 -1.1846 0.5181 0.5194 0.5351 0.5364 3.3989 3.4117 3.4538 3.4692 3.6738 3.6852 3.6860 3.7000 6.2730 6.2750 6.3509 6.3528 6.6879 6.6932 6.6935 6.6991 6.8928 6.8981 6.9113 6.9163 7.1864 7.1866 7.1987 7.1991 7.4067 7.4069 7.4098 7.4110 8.1739 8.1814 8.2198 8.2268 10.7664 10.7984 10.8148 10.8480 11.1912 11.2146 11.2464 11.2767 k = 0.5000 0.3707 0.3038 ( 3872 PWs) bands (ev): -1.1843 -1.1843 -1.1838 -1.1838 0.5182 0.5182 0.5352 0.5352 3.4130 3.4130 3.4711 3.4711 3.6668 3.6668 3.6782 3.6782 6.2739 6.2739 6.3519 6.3519 6.6909 6.6909 6.6967 6.6967 6.8955 6.8955 6.9137 6.9137 7.1862 7.1862 7.1987 7.1987 7.4068 7.4068 7.4104 7.4104 8.1808 8.1808 8.2265 8.2265 10.7845 10.7845 10.8341 10.8341 11.2322 11.2322 11.2604 11.2604 k = 0.5000 0.3707 0.3038 ( 3872 PWs) bands (ev): -1.1843 -1.1843 -1.1838 -1.1838 0.5182 0.5182 0.5352 0.5352 3.4130 3.4130 3.4711 3.4711 3.6668 3.6668 3.6782 3.6782 6.2739 6.2739 6.3519 6.3519 6.6909 6.6909 6.6967 6.6967 6.8955 6.8955 6.9137 6.9137 7.1862 7.1862 7.1987 7.1987 7.4068 7.4068 7.4104 7.4104 8.1808 8.1808 8.2265 8.2265 10.7845 10.7845 10.8341 10.8341 11.2322 11.2322 11.2604 11.2604 k = 0.4878 0.3707 0.3038 ( 3872 PWs) bands (ev): -1.1859 -1.1859 -1.1853 -1.1853 0.5147 0.5147 0.5316 0.5316 3.4181 3.4181 3.4761 3.4761 3.6702 3.6702 3.6816 3.6816 6.2739 6.2739 6.3517 6.3517 6.6916 6.6916 6.6973 6.6973 6.8956 6.8956 6.9138 6.9138 7.1870 7.1870 7.1994 7.1994 7.4070 7.4070 7.4106 7.4106 8.1785 8.1785 8.2241 8.2241 10.7782 10.7782 10.8270 10.8270 11.2309 11.2309 11.2589 11.2589 k = 0.4756 0.3707 0.3038 ( 3868 PWs) bands (ev): -1.1906 -1.1906 -1.1901 -1.1901 0.5042 0.5042 0.5209 0.5209 3.4334 3.4334 3.4911 3.4911 3.6804 3.6804 3.6919 3.6919 6.2738 6.2738 6.3513 6.3513 6.6937 6.6937 6.6993 6.6993 6.8960 6.8960 6.9140 6.9140 7.1895 7.1895 7.2018 7.2018 7.4078 7.4078 7.4115 7.4115 8.1718 8.1718 8.2170 8.2170 10.7597 10.7597 10.8066 10.8066 11.2273 11.2273 11.2550 11.2550 k = 0.4634 0.3707 0.3038 ( 3880 PWs) bands (ev): -1.1985 -1.1985 -1.1979 -1.1979 0.4871 0.4871 0.5033 0.5033 3.4584 3.4584 3.5156 3.5156 3.6974 3.6974 3.7089 3.7089 6.2737 6.2737 6.3506 6.3506 6.6970 6.6970 6.7025 6.7025 6.8966 6.8966 6.9142 6.9142 7.1936 7.1936 7.2057 7.2057 7.4091 7.4091 7.4128 7.4128 8.1606 8.1606 8.2054 8.2054 10.7310 10.7310 10.7750 10.7750 11.2224 11.2224 11.2497 11.2497 k = 0.4512 0.3707 0.3038 ( 3876 PWs) bands (ev): -1.2093 -1.2093 -1.2088 -1.2088 0.4637 0.4637 0.4794 0.4794 3.4926 3.4926 3.5492 3.5492 3.7209 3.7209 3.7326 3.7326 6.2737 6.2737 6.3499 6.3499 6.7017 6.7017 6.7069 6.7069 6.8974 6.8974 6.9146 6.9146 7.1996 7.1996 7.2114 7.2114 7.4110 7.4110 7.4147 7.4147 8.1452 8.1452 8.1892 8.1892 10.6943 10.6943 10.7351 10.7351 11.2169 11.2169 11.2438 11.2438 k = 0.4390 0.3707 0.3038 ( 3884 PWs) bands (ev): -1.2230 -1.2230 -1.2225 -1.2225 0.4345 0.4345 0.4496 0.4496 3.5353 3.5353 3.5911 3.5911 3.7509 3.7509 3.7627 3.7627 6.2740 6.2740 6.3492 6.3492 6.7076 6.7076 6.7125 6.7125 6.8983 6.8983 6.9150 6.9150 7.2072 7.2072 7.2188 7.2188 7.4135 7.4135 7.4174 7.4174 8.1257 8.1257 8.1689 8.1689 10.6519 10.6519 10.6895 10.6895 11.2109 11.2109 11.2373 11.2373 k = 0.4268 0.3707 0.3038 ( 3888 PWs) bands (ev): -1.2394 -1.2394 -1.2389 -1.2389 0.4003 0.4003 0.4146 0.4146 3.5857 3.5857 3.6405 3.6405 3.7871 3.7871 3.7990 3.7990 6.2749 6.2749 6.3488 6.3488 6.7146 6.7146 6.7191 6.7191 6.8995 6.8995 6.9155 6.9155 7.2168 7.2168 7.2281 7.2281 7.4167 7.4167 7.4207 7.4207 8.1025 8.1025 8.1445 8.1445 10.6060 10.6060 10.6403 10.6403 11.2043 11.2043 11.2302 11.2302 k = 0.4146 0.3707 0.3038 ( 3892 PWs) bands (ev): -1.2584 -1.2584 -1.2579 -1.2579 0.3615 0.3615 0.3751 0.3751 3.6429 3.6429 3.6966 3.6966 3.8292 3.8292 3.8413 3.8413 6.2764 6.2764 6.3489 6.3489 6.7226 6.7226 6.7267 6.7267 6.9007 6.9007 6.9161 6.9161 7.2282 7.2282 7.2394 7.2394 7.4206 7.4206 7.4248 7.4248 8.0758 8.0758 8.1165 8.1165 10.5579 10.5579 10.5893 10.5893 11.1967 11.1967 11.2221 11.2221 k = 0.4024 0.3707 0.3038 ( 3900 PWs) bands (ev): -1.2796 -1.2796 -1.2791 -1.2791 0.3190 0.3190 0.3318 0.3318 3.7058 3.7058 3.7582 3.7582 3.8769 3.8769 3.8892 3.8892 6.2789 6.2789 6.3498 6.3498 6.7316 6.7316 6.7351 6.7351 6.9021 6.9021 6.9166 6.9166 7.2415 7.2415 7.2528 7.2528 7.4254 7.4254 7.4299 7.4299 8.0460 8.0460 8.0852 8.0852 10.5090 10.5090 10.5376 10.5376 11.1878 11.1878 11.2126 11.2126 k = 0.3902 0.3707 0.3038 ( 3904 PWs) bands (ev): -1.3029 -1.3029 -1.3024 -1.3024 0.2734 0.2734 0.2853 0.2853 3.7734 3.7734 3.8244 3.8244 3.9299 3.9299 3.9425 3.9425 6.2828 6.2828 6.3518 6.3518 6.7413 6.7413 6.7443 6.7443 6.9034 6.9034 6.9172 6.9172 7.2567 7.2567 7.2687 7.2687 7.4313 7.4313 7.4361 7.4361 8.0135 8.0135 8.0510 8.0510 10.4600 10.4600 10.4861 10.4861 11.1772 11.1772 11.2014 11.2014 k = 0.3780 0.3707 0.3038 ( 3912 PWs) bands (ev): -1.3280 -1.3280 -1.3276 -1.3276 0.2253 0.2253 0.2364 0.2364 3.8446 3.8446 3.8940 3.8940 3.9879 3.9879 4.0007 4.0007 6.2882 6.2882 6.3551 6.3551 6.7516 6.7516 6.7541 6.7541 6.9048 6.9048 6.9177 6.9177 7.2738 7.2738 7.2870 7.2870 7.4384 7.4384 7.4435 7.4435 7.9787 7.9787 8.0143 8.0143 10.4115 10.4115 10.4353 10.4353 11.1645 11.1645 11.1882 11.1882 k = 0.3659 0.3707 0.3038 ( 3908 PWs) bands (ev): -1.3548 -1.3548 -1.3543 -1.3543 0.1752 0.1752 0.1855 0.1855 3.9185 3.9185 3.9661 3.9661 4.0504 4.0504 4.0634 4.0634 6.2958 6.2958 6.3604 6.3604 6.7623 6.7623 6.7645 6.7645 6.9063 6.9063 6.9183 6.9183 7.2927 7.2927 7.3078 7.3078 7.4470 7.4470 7.4525 7.4525 7.9422 7.9422 7.9756 7.9756 10.3641 10.3641 10.3857 10.3857 11.1495 11.1495 11.1727 11.1727 k = 0.3537 0.3707 0.3038 ( 3908 PWs) bands (ev): -1.3828 -1.3828 -1.3824 -1.3824 0.1237 0.1237 0.1333 0.1333 3.9940 3.9940 4.0396 4.0396 4.1169 4.1169 4.1302 4.1302 6.3057 6.3057 6.3677 6.3677 6.7729 6.7729 6.7754 6.7754 6.9078 6.9078 6.9188 6.9188 7.3131 7.3131 7.3310 7.3310 7.4576 7.4576 7.4635 7.4635 7.9047 7.9047 7.9354 7.9354 10.3181 10.3181 10.3376 10.3376 11.1321 11.1321 11.1549 11.1549 k = 0.3415 0.3707 0.3038 ( 3900 PWs) bands (ev): -1.4120 -1.4120 -1.4116 -1.4116 0.0714 0.0714 0.0802 0.0802 4.0701 4.0701 4.1136 4.1136 4.1870 4.1870 4.2006 4.2006 6.3185 6.3185 6.3776 6.3776 6.7836 6.7836 6.7867 6.7867 6.9093 6.9093 6.9194 6.9194 7.3345 7.3345 7.3559 7.3559 7.4706 7.4706 7.4768 7.4768 7.8669 7.8669 7.8944 7.8944 10.2735 10.2735 10.2911 10.2911 11.1122 11.1122 11.1346 11.1346 k = 0.3293 0.3707 0.3038 ( 3904 PWs) bands (ev): -1.4421 -1.4421 -1.4417 -1.4417 0.0186 0.0186 0.0267 0.0267 4.1458 4.1458 4.1873 4.1873 4.2599 4.2599 4.2740 4.2740 6.3344 6.3344 6.3902 6.3902 6.7939 6.7939 6.7981 6.7981 6.9108 6.9108 6.9200 6.9200 7.3559 7.3559 7.3817 7.3817 7.4868 7.4868 7.4932 7.4932 7.8298 7.8298 7.8538 7.8538 10.2307 10.2307 10.2464 10.2464 11.0899 11.0899 11.1121 11.1121 k = 0.3171 0.3707 0.3038 ( 3908 PWs) bands (ev): -1.4728 -1.4728 -1.4724 -1.4724 -0.0344 -0.0344 -0.0268 -0.0268 4.2203 4.2203 4.2600 4.2600 4.3352 4.3352 4.3497 4.3497 6.3536 6.3536 6.4060 6.4060 6.8040 6.8040 6.8092 6.8092 6.9123 6.9123 6.9207 6.9207 7.3758 7.3758 7.4068 7.4068 7.5069 7.5069 7.5137 7.5137 7.7950 7.7950 7.8151 7.8151 10.1897 10.1897 10.2036 10.2036 11.0652 11.0652 11.0873 11.0873 k = 0.3049 0.3707 0.3038 ( 3904 PWs) bands (ev): -1.5039 -1.5039 -1.5036 -1.5036 -0.0871 -0.0871 -0.0801 -0.0801 4.2926 4.2926 4.3306 4.3306 4.4124 4.4124 4.4273 4.4273 6.3764 6.3764 6.4249 6.4249 6.8137 6.8137 6.8201 6.8201 6.9139 6.9139 6.9215 6.9215 7.3922 7.3922 7.4290 7.4290 7.5310 7.5310 7.5397 7.5397 7.7642 7.7642 7.7818 7.7818 10.1506 10.1506 10.1627 10.1627 11.0383 11.0383 11.0604 11.0604 k = 0.2927 0.3707 0.3038 ( 3908 PWs) bands (ev): -1.5353 -1.5353 -1.5349 -1.5349 -0.1392 -0.1392 -0.1328 -0.1328 4.3620 4.3620 4.3983 4.3983 4.4908 4.4908 4.5063 4.5063 6.4028 6.4028 6.4470 6.4470 6.8229 6.8229 6.8305 6.8305 6.9156 6.9156 6.9225 6.9225 7.4019 7.4019 7.4456 7.4456 7.5579 7.5579 7.5706 7.5706 7.7401 7.7401 7.7598 7.7598 10.1133 10.1133 10.1238 10.1238 11.0095 11.0095 11.0316 11.0316 k = 0.2805 0.3707 0.3038 ( 3900 PWs) bands (ev): -1.5666 -1.5666 -1.5663 -1.5663 -0.1905 -0.1905 -0.1846 -0.1846 4.4275 4.4275 4.4621 4.4621 4.5704 4.5704 4.5865 4.5865 6.4324 6.4324 6.4723 6.4723 6.8316 6.8316 6.8404 6.8404 6.9174 6.9174 6.9239 6.9239 7.4021 7.4021 7.4533 7.4533 7.5867 7.5867 7.6027 7.6027 7.7300 7.7300 7.7550 7.7550 10.0780 10.0780 10.0868 10.0868 10.9789 10.9789 11.0013 11.0013 k = 0.2683 0.3707 0.3038 ( 3912 PWs) bands (ev): -1.5978 -1.5978 -1.5975 -1.5975 -0.2408 -0.2408 -0.2354 -0.2354 4.4886 4.4886 4.5212 4.5212 4.6507 4.6507 4.6676 4.6676 6.4650 6.4650 6.5000 6.5000 6.8397 6.8397 6.8495 6.8495 6.9195 6.9195 6.9255 6.9255 7.3908 7.3908 7.4480 7.4480 7.6166 7.6166 7.6309 7.6309 7.7445 7.7445 7.7706 7.7706 10.0445 10.0445 10.0518 10.0518 10.9470 10.9470 10.9697 10.9697 k = 0.2561 0.3707 0.3038 ( 3908 PWs) bands (ev): -1.6286 -1.6286 -1.6283 -1.6283 -0.2898 -0.2898 -0.2848 -0.2848 4.5446 4.5446 4.5750 4.5750 4.7316 4.7316 4.7491 4.7491 6.4996 6.4996 6.5299 6.5299 6.8472 6.8472 6.8578 6.8578 6.9219 6.9219 6.9277 6.9277 7.3685 7.3685 7.4283 7.4283 7.6491 7.6491 7.6578 7.6578 7.7843 7.7843 7.8050 7.8050 10.0130 10.0130 10.0187 10.0187 10.9139 10.9139 10.9372 10.9372 k = 0.2439 0.3707 0.3038 ( 3904 PWs) bands (ev): -1.6590 -1.6590 -1.6587 -1.6587 -0.3373 -0.3373 -0.3328 -0.3328 4.5952 4.5952 4.6232 4.6232 4.8126 4.8126 4.8309 4.8309 6.5354 6.5354 6.5607 6.5607 6.8539 6.8539 6.8652 6.8652 6.9247 6.9247 6.9305 6.9305 7.3378 7.3378 7.3975 7.3975 7.6865 7.6865 7.6906 7.6906 7.8403 7.8403 7.8542 7.8542 9.9833 9.9833 9.9876 9.9876 10.8801 10.8801 10.9039 10.9039 k = 0.2317 0.3707 0.3038 ( 3904 PWs) bands (ev): -1.6886 -1.6886 -1.6883 -1.6883 -0.3833 -0.3833 -0.3792 -0.3792 4.6403 4.6403 4.6658 4.6658 4.8936 4.8936 4.9126 4.9126 6.5709 6.5709 6.5915 6.5915 6.8597 6.8597 6.8714 6.8714 6.9279 6.9279 6.9340 6.9340 7.3018 7.3018 7.3600 7.3600 7.7302 7.7302 7.7327 7.7327 7.9059 7.9059 7.9144 7.9144 9.9553 9.9553 9.9586 9.9586 10.8458 10.8458 10.8704 10.8704 k = 0.2195 0.3707 0.3038 ( 3900 PWs) bands (ev): -1.7175 -1.7175 -1.7172 -1.7172 -0.4276 -0.4276 -0.4238 -0.4238 4.6799 4.6799 4.7028 4.7028 4.9741 4.9741 4.9937 4.9937 6.6050 6.6050 6.6212 6.6212 6.8642 6.8642 6.8762 6.8762 6.9316 6.9316 6.9384 6.9384 7.2629 7.2629 7.3194 7.3194 7.7813 7.7813 7.7844 7.7844 7.9781 7.9781 7.9835 7.9835 9.9290 9.9290 9.9317 9.9317 10.8113 10.8113 10.8367 10.8367 k = 0.2073 0.3707 0.3038 ( 3904 PWs) bands (ev): -1.7454 -1.7454 -1.7452 -1.7452 -0.4700 -0.4700 -0.4665 -0.4665 4.7142 4.7142 4.7345 4.7345 5.0540 5.0540 5.0742 5.0742 6.6362 6.6362 6.6486 6.6486 6.8667 6.8667 6.8794 6.8794 6.9356 6.9356 6.9438 6.9438 7.2234 7.2234 7.2781 7.2781 7.8409 7.8409 7.8446 7.8446 8.0548 8.0548 8.0607 8.0607 9.9040 9.9040 9.9072 9.9072 10.7771 10.7771 10.8034 10.8034 k = 0.1951 0.3707 0.3038 ( 3904 PWs) bands (ev): -1.7723 -1.7723 -1.7721 -1.7721 -0.5104 -0.5104 -0.5072 -0.5072 4.7435 4.7435 4.7614 4.7614 5.1329 5.1329 5.1537 5.1537 6.6635 6.6635 6.6728 6.6728 6.8664 6.8664 6.8802 6.8802 6.9401 6.9401 6.9500 6.9500 7.1851 7.1851 7.2378 7.2378 7.9092 7.9092 7.9130 7.9130 8.1360 8.1360 8.1442 8.1442 9.8806 9.8806 9.8848 9.8848 10.7433 10.7433 10.7705 10.7705 k = 0.1829 0.3707 0.3038 ( 3904 PWs) bands (ev): -1.7980 -1.7980 -1.7978 -1.7978 -0.5487 -0.5487 -0.5458 -0.5458 4.7683 4.7683 4.7839 4.7839 5.2106 5.2106 5.2320 5.2320 6.6863 6.6863 6.6933 6.6933 6.8621 6.8621 6.8777 6.8777 6.9449 6.9449 6.9567 6.9567 7.1502 7.1502 7.2003 7.2003 7.9857 7.9857 7.9892 7.9892 8.2217 8.2217 8.2325 8.2325 9.8589 9.8589 9.8645 9.8645 10.7102 10.7102 10.7385 10.7385 k = 0.1707 0.3707 0.3038 ( 3908 PWs) bands (ev): -1.8225 -1.8225 -1.8223 -1.8223 -0.5849 -0.5849 -0.5823 -0.5823 4.7889 4.7889 4.8024 4.8024 5.2871 5.2871 5.3089 5.3089 6.7040 6.7040 6.7096 6.7096 6.8528 6.8528 6.8702 6.8702 6.9501 6.9501 6.9633 6.9633 7.1208 7.1208 7.1672 7.1672 8.0696 8.0696 8.0725 8.0725 8.3114 8.3114 8.3245 8.3245 9.8390 9.8390 9.8461 9.8461 10.6782 10.6782 10.7075 10.7075 k = 0.1585 0.3707 0.3038 ( 3908 PWs) bands (ev): -1.8457 -1.8457 -1.8455 -1.8455 -0.6189 -0.6189 -0.6165 -0.6165 4.8059 4.8059 4.8175 4.8175 5.3620 5.3620 5.3843 5.3843 6.7166 6.7166 6.7214 6.7214 6.8377 6.8377 6.8565 6.8565 6.9555 6.9555 6.9692 6.9692 7.0991 7.0991 7.1402 7.1402 8.1599 8.1599 8.1620 8.1620 8.4044 8.4044 8.4197 8.4197 9.8211 9.8211 9.8298 9.8298 10.6474 10.6474 10.6778 10.6778 k = 0.1463 0.3707 0.3038 ( 3908 PWs) bands (ev): -1.8674 -1.8674 -1.8673 -1.8673 -0.6506 -0.6506 -0.6484 -0.6484 4.8198 4.8198 4.8297 4.8297 5.4355 5.4355 5.4582 5.4582 6.7233 6.7233 6.7279 6.7279 6.8175 6.8175 6.8369 6.8369 6.9608 6.9608 6.9739 6.9739 7.0856 7.0856 7.1202 7.1202 8.2550 8.2550 8.2566 8.2566 8.4999 8.4999 8.5169 8.5169 9.8052 9.8052 9.8155 9.8155 10.6181 10.6181 10.6494 10.6494 k = 0.1341 0.3707 0.3038 ( 3904 PWs) bands (ev): -1.8877 -1.8877 -1.8875 -1.8875 -0.6799 -0.6799 -0.6780 -0.6780 4.8310 4.8310 4.8394 4.8394 5.5073 5.5073 5.5304 5.5304 6.7208 6.7208 6.7269 6.7269 6.7962 6.7962 6.8148 6.8148 6.9657 6.9657 6.9775 6.9775 7.0794 7.0794 7.1070 7.1070 8.3530 8.3530 8.3552 8.3552 8.5967 8.5967 8.6152 8.6152 9.7916 9.7916 9.8035 9.8035 10.5903 10.5903 10.6226 10.6226 k = 0.1220 0.3707 0.3038 ( 3904 PWs) bands (ev): -1.9063 -1.9063 -1.9062 -1.9062 -0.7068 -0.7068 -0.7051 -0.7051 4.8399 4.8399 4.8469 4.8469 5.5775 5.5775 5.6009 5.6009 6.7032 6.7032 6.7137 6.7137 6.7817 6.7817 6.7968 6.7968 6.9700 6.9700 6.9802 6.9802 7.0782 7.0782 7.0996 7.0996 8.4525 8.4525 8.4559 8.4559 8.6938 8.6938 8.7132 8.7132 9.7805 9.7805 9.7940 9.7940 10.5644 10.5644 10.5973 10.5973 k = 0.1098 0.3707 0.3038 ( 3900 PWs) bands (ev): -1.9234 -1.9234 -1.9233 -1.9233 -0.7313 -0.7313 -0.7298 -0.7298 4.8469 4.8469 4.8527 4.8527 5.6461 5.6461 5.6697 5.6697 6.6703 6.6703 6.6857 6.6857 6.7765 6.7765 6.7873 6.7873 6.9737 6.9737 6.9823 6.9823 7.0801 7.0801 7.0964 7.0964 8.5520 8.5520 8.5566 8.5566 8.7894 8.7894 8.8093 8.8093 9.7723 9.7723 9.7873 9.7873 10.5402 10.5402 10.5736 10.5736 k = 0.0976 0.3707 0.3038 ( 3896 PWs) bands (ev): -1.9388 -1.9388 -1.9387 -1.9387 -0.7533 -0.7533 -0.7520 -0.7520 4.8523 4.8523 4.8571 4.8571 5.7131 5.7131 5.7370 5.7370 6.6287 6.6287 6.6472 6.6472 6.7756 6.7756 6.7836 6.7836 6.9769 6.9769 6.9840 6.9840 7.0835 7.0835 7.0959 7.0959 8.6496 8.6496 8.6555 8.6555 8.8815 8.8815 8.9014 8.9014 9.7676 9.7676 9.7840 9.7840 10.5180 10.5180 10.5514 10.5514 k = 0.0854 0.3707 0.3038 ( 3904 PWs) bands (ev): -1.9525 -1.9525 -1.9524 -1.9524 -0.7728 -0.7728 -0.7716 -0.7716 4.8564 4.8564 4.8604 4.8604 5.7785 5.7785 5.8025 5.8025 6.5824 6.5824 6.6029 6.6029 6.7760 6.7760 6.7822 6.7822 6.9797 6.9797 6.9854 6.9854 7.0875 7.0875 7.0969 7.0969 8.7437 8.7437 8.7508 8.7508 8.9677 8.9677 8.9871 8.9871 9.7671 9.7671 9.7846 9.7846 10.4976 10.4976 10.5305 10.5305 k = 0.0732 0.3707 0.3038 ( 3912 PWs) bands (ev): -1.9644 -1.9644 -1.9644 -1.9644 -0.7897 -0.7897 -0.7887 -0.7887 4.8595 4.8595 4.8627 4.8627 5.8424 5.8424 5.8666 5.8666 6.5336 6.5336 6.5554 6.5554 6.7767 6.7767 6.7817 6.7817 6.9820 6.9820 6.9866 6.9866 7.0914 7.0914 7.0985 7.0985 8.8326 8.8326 8.8406 8.8406 9.0451 9.0451 9.0635 9.0635 9.7716 9.7716 9.7897 9.7897 10.4791 10.4791 10.5108 10.5108 k = 0.0610 0.3707 0.3038 ( 3896 PWs) bands (ev): -1.9746 -1.9746 -1.9745 -1.9745 -0.8040 -0.8040 -0.8032 -0.8032 4.8619 4.8619 4.8644 4.8644 5.9049 5.9049 5.9290 5.9290 6.4832 6.4832 6.5057 6.5057 6.7775 6.7775 6.7814 6.7814 6.9841 6.9841 6.9877 6.9877 7.0952 7.0952 7.1005 7.1005 8.9145 8.9145 8.9233 8.9233 9.1106 9.1106 9.1276 9.1276 9.7816 9.7816 9.7997 9.7997 10.4625 10.4625 10.4921 10.4921 k = 0.0488 0.3707 0.3038 ( 3892 PWs) bands (ev): -1.9829 -1.9829 -1.9829 -1.9829 -0.8158 -0.8158 -0.8151 -0.8151 4.8636 4.8636 4.8655 4.8655 5.9657 5.9657 5.9898 5.9898 6.4317 6.4317 6.4547 6.4547 6.7782 6.7782 6.7812 6.7812 6.9858 6.9858 6.9885 6.9885 7.0984 7.0984 7.1024 7.1024 8.9880 8.9880 8.9974 8.9974 9.1614 9.1614 9.1768 9.1768 9.7970 9.7970 9.8140 9.8140 10.4481 10.4481 10.4744 10.4744 k = 0.0366 0.3707 0.3038 ( 3888 PWs) bands (ev): -1.9895 -1.9895 -1.9894 -1.9894 -0.8249 -0.8249 -0.8244 -0.8244 4.8648 4.8648 4.8662 4.8662 6.0249 6.0249 6.0487 6.0487 6.3799 6.3799 6.4029 6.4029 6.7788 6.7788 6.7810 6.7810 6.9872 6.9872 6.9892 6.9892 7.1011 7.1011 7.1039 7.1039 9.0515 9.0515 9.0611 9.0611 9.1961 9.1961 9.2096 9.2096 9.8160 9.8160 9.8306 9.8306 10.4363 10.4363 10.4580 10.4580 k = 0.0244 0.3707 0.3038 ( 3896 PWs) bands (ev): -1.9941 -1.9941 -1.9941 -1.9941 -0.8314 -0.8314 -0.8311 -0.8311 4.8657 4.8657 4.8666 4.8666 6.0818 6.0818 6.1045 6.1045 6.3288 6.3288 6.3511 6.3511 6.7792 6.7792 6.7807 6.7807 6.9883 6.9883 6.9895 6.9895 7.1031 7.1031 7.1049 7.1049 9.1033 9.1033 9.1124 9.1124 9.2151 9.2151 9.2265 9.2265 9.8354 9.8354 9.8462 9.8462 10.4279 10.4279 10.4435 10.4435 k = 0.0122 0.3707 0.3038 ( 3900 PWs) bands (ev): -1.9969 -1.9969 -1.9969 -1.9969 -0.8353 -0.8353 -0.8352 -0.8352 4.8662 4.8662 4.8667 4.8667 6.1341 6.1341 6.1530 6.1530 6.2831 6.2831 6.3017 6.3017 6.7796 6.7796 6.7804 6.7804 6.9890 6.9890 6.9896 6.9896 7.1045 7.1045 7.1054 7.1054 9.1408 9.1408 9.1475 9.1475 9.2221 9.2221 9.2299 9.2299 9.8508 9.8508 9.8566 9.8566 10.4240 10.4240 10.4323 10.4323 k = 0.0000 0.3707 0.3038 ( 3900 PWs) bands (ev): -1.9979 -1.9979 -1.9979 -1.9979 -0.8366 -0.8366 -0.8366 -0.8366 4.8665 4.8665 4.8665 4.8665 6.1696 6.1696 6.1696 6.1696 6.2673 6.2673 6.2673 6.2673 6.7800 6.7800 6.7800 6.7800 6.9895 6.9895 6.9895 6.9895 7.1053 7.1053 7.1053 7.1053 9.1582 9.1582 9.1582 9.1582 9.2257 9.2257 9.2257 9.2257 9.8584 9.8584 9.8584 9.8584 10.4255 10.4255 10.4255 10.4255 k = 0.0000 0.3707 0.3038 ( 3900 PWs) bands (ev): -1.9979 -1.9979 -1.9979 -1.9979 -0.8366 -0.8366 -0.8366 -0.8366 4.8665 4.8665 4.8665 4.8665 6.1696 6.1696 6.1696 6.1696 6.2673 6.2673 6.2673 6.2673 6.7800 6.7800 6.7800 6.7800 6.9895 6.9895 6.9895 6.9895 7.1053 7.1053 7.1053 7.1053 9.1582 9.1582 9.1582 9.1582 9.2257 9.2257 9.2257 9.2257 9.8584 9.8584 9.8584 9.8584 10.4255 10.4255 10.4255 10.4255 k = 0.0000 0.3587 0.3038 ( 3896 PWs) bands (ev): -2.0026 -2.0026 -2.0026 -2.0026 -0.8296 -0.8296 -0.8296 -0.8296 4.8641 4.8641 4.8643 4.8643 6.1687 6.1687 6.1717 6.1717 6.2659 6.2659 6.2696 6.2696 6.7810 6.7810 6.7821 6.7821 6.9879 6.9879 6.9903 6.9903 7.1040 7.1040 7.1061 7.1061 9.1139 9.1139 9.1330 9.1330 9.2381 9.2381 9.2677 9.2677 9.8401 9.8401 9.8540 9.8540 10.4367 10.4367 10.4413 10.4413 k = 0.0000 0.3467 0.3038 ( 3900 PWs) bands (ev): -2.0165 -2.0165 -2.0165 -2.0165 -0.8091 -0.8091 -0.8090 -0.8090 4.8571 4.8571 4.8575 4.8575 6.1690 6.1690 6.1750 6.1750 6.2654 6.2654 6.2728 6.2728 6.7847 6.7847 6.7869 6.7869 6.9856 6.9856 6.9904 6.9904 7.1022 7.1022 7.1064 7.1064 9.0509 9.0509 9.0675 9.0675 9.2757 9.2757 9.3134 9.3134 9.8028 9.8028 9.8293 9.8293 10.4729 10.4729 10.4807 10.4807 k = 0.0000 0.3348 0.3038 ( 3888 PWs) bands (ev): -2.0387 -2.0387 -2.0386 -2.0386 -0.7761 -0.7761 -0.7760 -0.7760 4.8457 4.8457 4.8463 4.8463 6.1704 6.1704 6.1794 6.1794 6.2657 6.2657 6.2767 6.2767 6.7914 6.7914 6.7946 6.7946 6.9827 6.9827 6.9900 6.9900 7.1000 7.1000 7.1063 7.1063 8.9782 8.9782 8.9905 8.9905 9.3098 9.3098 9.3545 9.3545 9.7529 9.7529 9.7911 9.7911 10.5281 10.5281 10.5373 10.5373 k = 0.0000 0.3228 0.3038 ( 3884 PWs) bands (ev): -2.0676 -2.0676 -2.0675 -2.0675 -0.7319 -0.7319 -0.7317 -0.7317 4.8302 4.8302 4.8308 4.8308 6.1727 6.1727 6.1847 6.1847 6.2666 6.2666 6.2811 6.2811 6.8005 6.8005 6.8047 6.8047 6.9791 6.9791 6.9889 6.9889 7.0975 7.0975 7.1057 7.1057 8.8970 8.8970 8.9050 8.9050 9.3373 9.3373 9.3901 9.3901 9.6971 9.6971 9.7468 9.7468 10.5965 10.5965 10.6060 10.6060 k = 0.0000 0.3109 0.3038 ( 3884 PWs) bands (ev): -2.1020 -2.1020 -2.1019 -2.1019 -0.6780 -0.6780 -0.6778 -0.6778 4.8108 4.8108 4.8116 4.8116 6.1758 6.1758 6.1907 6.1907 6.2679 6.2679 6.2859 6.2859 6.8118 6.8118 6.8169 6.8169 6.9749 6.9749 6.9874 6.9874 7.0946 7.0946 7.1047 7.1047 8.8082 8.8082 8.8121 8.8121 9.3559 9.3559 9.4182 9.4182 9.6416 9.6416 9.7036 9.7036 10.6737 10.6737 10.6831 10.6831 k = 0.0000 0.2989 0.3038 ( 3888 PWs) bands (ev): -2.1403 -2.1403 -2.1401 -2.1401 -0.6159 -0.6159 -0.6157 -0.6157 4.7879 4.7879 4.7888 4.7888 6.1795 6.1795 6.1974 6.1974 6.2692 6.2692 6.2906 6.2906 6.8247 6.8247 6.8307 6.8307 6.9703 6.9703 6.9857 6.9857 7.0916 7.0916 7.1034 7.1034 8.7123 8.7123 8.7134 8.7134 9.3620 9.3620 9.4327 9.4327 9.5962 9.5962 9.6687 9.6687 10.7573 10.7573 10.7662 10.7662 k = 0.0000 0.2870 0.3038 ( 3894 PWs) bands (ev): -2.1813 -2.1813 -2.1812 -2.1812 -0.5469 -0.5469 -0.5467 -0.5467 4.7619 4.7619 4.7630 4.7630 6.1835 6.1835 6.2046 6.2046 6.2704 6.2704 6.2952 6.2952 6.8381 6.8381 6.8449 6.8449 6.9657 6.9657 6.9843 6.9843 7.0888 7.0888 7.1020 7.1020 8.6084 8.6084 8.6120 8.6120 9.3517 9.3517 9.4197 9.4197 9.5773 9.5773 9.6486 9.6486 10.8455 10.8455 10.8538 10.8538 k = 0.0000 0.2750 0.3038 ( 3888 PWs) bands (ev): -2.2240 -2.2240 -2.2239 -2.2239 -0.4722 -0.4722 -0.4719 -0.4719 4.7333 4.7333 4.7344 4.7344 6.1877 6.1877 6.2122 6.2122 6.2710 6.2710 6.2993 6.2993 6.8506 6.8506 6.8582 6.8582 6.9619 6.9619 6.9840 6.9840 7.0865 7.0865 7.1009 7.1009 8.5004 8.5004 8.5069 8.5069 9.3240 9.3240 9.3784 9.3784 9.5876 9.5876 9.6462 9.6462 10.9371 10.9371 10.9450 10.9450 k = 0.0000 0.2630 0.3038 ( 3896 PWs) bands (ev): -2.2676 -2.2676 -2.2675 -2.2675 -0.3927 -0.3927 -0.3924 -0.3924 4.7023 4.7023 4.7036 4.7036 6.1918 6.1918 6.2200 6.2200 6.2707 6.2707 6.3028 6.3028 6.8600 6.8600 6.8683 6.8683 6.9598 6.9598 6.9857 6.9857 7.0854 7.0854 7.1005 7.1005 8.3902 8.3902 8.3993 8.3993 9.2832 9.2832 9.3245 9.3245 9.6127 9.6127 9.6587 9.6587 11.0314 11.0314 11.0389 11.0389 k = 0.0000 0.2511 0.3038 ( 3892 PWs) bands (ev): -2.3114 -2.3114 -2.3113 -2.3113 -0.3092 -0.3092 -0.3089 -0.3089 4.6694 4.6694 4.6707 4.6707 6.1954 6.1954 6.2278 6.2278 6.2694 6.2694 6.3056 6.3056 6.8641 6.8641 6.8729 6.8729 6.9605 6.9605 6.9901 6.9901 7.0862 7.0862 7.1019 7.1019 8.2796 8.2796 8.2909 8.2909 9.2348 9.2348 9.2671 9.2671 9.6445 9.6445 9.6816 9.6816 11.1277 11.1277 11.1349 11.1349 k = 0.0000 0.2391 0.3038 ( 3888 PWs) bands (ev): -2.3548 -2.3548 -2.3547 -2.3547 -0.2224 -0.2224 -0.2220 -0.2220 4.6349 4.6349 4.6362 4.6362 6.1981 6.1981 6.2349 6.2349 6.2673 6.2673 6.3077 6.3077 6.8618 6.8618 6.8705 6.8705 6.9636 6.9636 6.9964 6.9964 7.0900 7.0900 7.1063 7.1063 8.1702 8.1702 8.1834 8.1834 9.1830 9.1830 9.2097 9.2097 9.6804 9.6804 9.7117 9.7117 11.2255 11.2255 11.2326 11.2326 k = 0.0000 0.2272 0.3038 ( 3892 PWs) bands (ev): -2.3975 -2.3975 -2.3974 -2.3974 -0.1329 -0.1329 -0.1325 -0.1325 4.5988 4.5988 4.6002 4.6002 6.1991 6.1991 6.2393 6.2393 6.2658 6.2658 6.3093 6.3093 6.8533 6.8533 6.8617 6.8617 6.9668 6.9668 7.0020 7.0020 7.0981 7.0981 7.1149 7.1149 8.0638 8.0638 8.0787 8.0787 9.1303 9.1303 9.1534 9.1534 9.7195 9.7195 9.7470 9.7470 11.3242 11.3242 11.3313 11.3313 k = 0.0000 0.2152 0.3038 ( 3900 PWs) bands (ev): -2.4390 -2.4390 -2.4389 -2.4389 -0.0413 -0.0413 -0.0409 -0.0409 4.5617 4.5617 4.5631 4.5631 6.1976 6.1976 6.2371 6.2371 6.2684 6.2684 6.3108 6.3108 6.8396 6.8396 6.8476 6.8476 6.9681 6.9681 7.0044 7.0044 7.1110 7.1110 7.1283 7.1283 7.9625 7.9625 7.9786 7.9786 9.0781 9.0781 9.0990 9.0990 9.7617 9.7617 9.7867 9.7867 11.4235 11.4235 11.4306 11.4306 k = 0.0000 0.2033 0.3038 ( 3906 PWs) bands (ev): -2.4792 -2.4792 -2.4791 -2.4791 0.0519 0.0519 0.0523 0.0523 4.5235 4.5235 4.5249 4.5249 6.1925 6.1925 6.2273 6.2273 6.2753 6.2753 6.3127 6.3127 6.8216 6.8216 6.8293 6.8293 6.9669 6.9669 7.0030 7.0030 7.1281 7.1281 7.1456 7.1456 7.8680 7.8680 7.8850 7.8850 9.0273 9.0273 9.0468 9.0468 9.8068 9.8068 9.8300 9.8300 11.5227 11.5227 11.5299 11.5299 k = 0.0000 0.1913 0.3038 ( 3906 PWs) bands (ev): -2.5178 -2.5178 -2.5177 -2.5177 0.1462 0.1462 0.1466 0.1466 4.4845 4.4845 4.4860 4.4860 6.1825 6.1825 6.2114 6.2114 6.2844 6.2844 6.3154 6.3154 6.8002 6.8002 6.8077 6.8077 6.9632 6.9632 6.9981 6.9981 7.1477 7.1477 7.1655 7.1655 7.7821 7.7821 7.7993 7.7993 8.9786 8.9786 8.9969 8.9969 9.8547 9.8547 9.8767 9.8767 11.6212 11.6212 11.6286 11.6286 k = 0.0000 0.1793 0.3038 ( 3910 PWs) bands (ev): -2.5546 -2.5546 -2.5545 -2.5545 0.2411 0.2411 0.2415 0.2415 4.4447 4.4447 4.4463 4.4463 6.1666 6.1666 6.1901 6.1901 6.2944 6.2944 6.3195 6.3195 6.7762 6.7762 6.7838 6.7838 6.9577 6.9577 6.9907 6.9907 7.1680 7.1680 7.1862 7.1862 7.7062 7.7062 7.7231 7.7231 8.9323 8.9323 8.9496 8.9496 9.9054 9.9054 9.9265 9.9265 11.7181 11.7181 11.7259 11.7259 k = 0.0000 0.1674 0.3038 ( 3918 PWs) bands (ev): -2.5895 -2.5895 -2.5894 -2.5894 0.3360 0.3360 0.3364 0.3364 4.4044 4.4044 4.4060 4.4060 6.1442 6.1442 6.1630 6.1630 6.3048 6.3048 6.3248 6.3248 6.7506 6.7506 6.7587 6.7587 6.9508 6.9508 6.9815 6.9815 7.1874 7.1874 7.2064 7.2064 7.6416 7.6416 7.6573 7.6573 8.8885 8.8885 8.9050 8.9050 9.9586 9.9586 9.9790 9.9790 11.8123 11.8123 11.8206 11.8206 k = 0.0000 0.1554 0.3038 ( 3914 PWs) bands (ev): -2.6223 -2.6223 -2.6222 -2.6222 0.4303 0.4303 0.4307 0.4307 4.3637 4.3637 4.3652 4.3652 6.1150 6.1150 6.1301 6.1301 6.3156 6.3156 6.3315 6.3315 6.7248 6.7248 6.7334 6.7334 6.9431 6.9431 6.9712 6.9712 7.2047 7.2047 7.2248 7.2248 7.5889 7.5889 7.6026 7.6026 8.8475 8.8475 8.8632 8.8632 10.0141 10.0141 10.0341 10.0341 11.9021 11.9021 11.9110 11.9110 k = 0.0000 0.1435 0.3038 ( 3902 PWs) bands (ev): -2.6530 -2.6530 -2.6529 -2.6529 0.5235 0.5235 0.5239 0.5239 4.3226 4.3226 4.3242 4.3242 6.0793 6.0793 6.0917 6.0917 6.3264 6.3264 6.3391 6.3391 6.7001 6.7001 6.7092 6.7092 6.9347 6.9347 6.9601 6.9601 7.2187 7.2187 7.2401 7.2401 7.5482 7.5482 7.5592 7.5592 8.8094 8.8094 8.8243 8.8243 10.0716 10.0716 10.0912 10.0912 11.9843 11.9843 11.9939 11.9939 k = 0.0000 0.1315 0.3038 ( 3902 PWs) bands (ev): -2.6815 -2.6815 -2.6814 -2.6814 0.6147 0.6147 0.6152 0.6152 4.2815 4.2815 4.2831 4.2831 6.0380 6.0380 6.0483 6.0483 6.3372 6.3372 6.3475 6.3475 6.6774 6.6774 6.6868 6.6868 6.9258 6.9258 6.9486 6.9486 7.2287 7.2287 7.2513 7.2513 7.5191 7.5191 7.5272 7.5272 8.7742 8.7742 8.7883 8.7883 10.1306 10.1306 10.1501 10.1501 12.0534 12.0534 12.0634 12.0634 k = 0.0000 0.1196 0.3038 ( 3898 PWs) bands (ev): -2.7076 -2.7076 -2.7075 -2.7075 0.7034 0.7034 0.7038 0.7038 4.2405 4.2405 4.2421 4.2421 5.9926 5.9926 6.0013 6.0013 6.3478 6.3478 6.3563 6.3563 6.6576 6.6576 6.6670 6.6670 6.9168 6.9168 6.9370 6.9370 7.2343 7.2343 7.2576 7.2576 7.5004 7.5004 7.5060 7.5060 8.7419 8.7419 8.7553 8.7553 10.1906 10.1906 10.2099 10.2099 12.1003 12.1003 12.1096 12.1096 k = 0.0000 0.1076 0.3038 ( 3898 PWs) bands (ev): -2.7314 -2.7314 -2.7314 -2.7314 0.7885 0.7885 0.7889 0.7889 4.2000 4.2000 4.2016 4.2016 5.9448 5.9448 5.9523 5.9523 6.3579 6.3579 6.3655 6.3655 6.6407 6.6407 6.6500 6.6500 6.9077 6.9077 6.9255 6.9255 7.2360 7.2360 7.2592 7.2592 7.4903 7.4903 7.4943 7.4943 8.7127 8.7127 8.7253 8.7253 10.2509 10.2509 10.2701 10.2701 12.1182 12.1182 12.1250 12.1250 k = 0.0000 0.0957 0.3038 ( 3906 PWs) bands (ev): -2.7529 -2.7529 -2.7528 -2.7528 0.8692 0.8692 0.8696 0.8696 4.1604 4.1604 4.1621 4.1621 5.8966 5.8966 5.9030 5.9030 6.3675 6.3675 6.3746 6.3746 6.6268 6.6268 6.6357 6.6357 6.8988 6.8988 6.9143 6.9143 7.2348 7.2348 7.2569 7.2569 7.4867 7.4867 7.4900 7.4900 8.6866 8.6866 8.6984 8.6984 10.3106 10.3106 10.3298 10.3298 12.1118 12.1118 12.1161 12.1161 k = 0.0000 0.0837 0.3038 ( 3904 PWs) bands (ev): -2.7719 -2.7719 -2.7718 -2.7718 0.9445 0.9445 0.9449 0.9449 4.1225 4.1225 4.1241 4.1241 5.8497 5.8497 5.8555 5.8555 6.3764 6.3764 6.3836 6.3836 6.6156 6.6156 6.6241 6.6241 6.8902 6.8902 6.9037 6.9037 7.2319 7.2319 7.2522 7.2522 7.4876 7.4876 7.4905 7.4905 8.6635 8.6635 8.6745 8.6745 10.3686 10.3686 10.3879 10.3879 12.0917 12.0917 12.0946 12.0946 k = 0.0000 0.0717 0.3038 ( 3904 PWs) bands (ev): -2.7884 -2.7884 -2.7883 -2.7883 1.0132 1.0132 1.0135 1.0135 4.0868 4.0868 4.0884 4.0884 5.8059 5.8059 5.8111 5.8111 6.3845 6.3845 6.3920 6.3920 6.6068 6.6068 6.6147 6.6147 6.8823 6.8823 6.8939 6.8939 7.2283 7.2283 7.2464 7.2464 7.4911 7.4911 7.4939 7.4939 8.6436 8.6436 8.6538 8.6538 10.4239 10.4239 10.4432 10.4432 12.0656 12.0656 12.0679 12.0679 k = 0.0000 0.0598 0.3038 ( 3898 PWs) bands (ev): -2.8024 -2.8024 -2.8023 -2.8023 1.0741 1.0741 1.0744 1.0744 4.0542 4.0542 4.0559 4.0559 5.7667 5.7667 5.7714 5.7714 6.3918 6.3918 6.3997 6.3997 6.6002 6.6002 6.6073 6.6073 6.8752 6.8752 6.8852 6.8852 7.2246 7.2246 7.2404 7.2404 7.4958 7.4958 7.4984 7.4984 8.6267 8.6267 8.6363 8.6363 10.4748 10.4748 10.4943 10.4943 12.0381 12.0381 12.0402 12.0402 k = 0.0000 0.0478 0.3038 ( 3886 PWs) bands (ev): -2.8139 -2.8139 -2.8138 -2.8138 1.1261 1.1261 1.1263 1.1263 4.0257 4.0257 4.0274 4.0274 5.7332 5.7332 5.7376 5.7376 6.3979 6.3979 6.4063 6.4063 6.5953 6.5953 6.6015 6.6015 6.8690 6.8690 6.8776 6.8776 7.2215 7.2215 7.2350 7.2350 7.5007 7.5007 7.5031 7.5031 8.6129 8.6129 8.6218 8.6218 10.5199 10.5199 10.5395 10.5395 12.0118 12.0118 12.0138 12.0138 k = 0.0000 0.0359 0.3038 ( 3882 PWs) bands (ev): -2.8228 -2.8228 -2.8228 -2.8228 1.1679 1.1679 1.1682 1.1682 4.0023 4.0023 4.0040 4.0040 5.7063 5.7063 5.7104 5.7104 6.4029 6.4029 6.4117 6.4117 6.5919 6.5919 6.5971 6.5971 6.8641 6.8641 6.8714 6.8714 7.2189 7.2189 7.2304 7.2304 7.5050 7.5050 7.5073 7.5073 8.6022 8.6022 8.6106 8.6106 10.5575 10.5575 10.5772 10.5772 11.9890 11.9890 11.9907 11.9907 k = 0.0000 0.0239 0.3038 ( 3888 PWs) bands (ev): -2.8293 -2.8293 -2.8292 -2.8292 1.1987 1.1987 1.1989 1.1989 3.9848 3.9848 3.9865 3.9865 5.6866 5.6866 5.6905 5.6905 6.4066 6.4066 6.4157 6.4157 6.5898 6.5898 6.5940 6.5940 6.8604 6.8604 6.8667 6.8667 7.2171 7.2171 7.2269 7.2269 7.5083 7.5083 7.5106 7.5106 8.5946 8.5946 8.6025 8.6025 10.5859 10.5859 10.6057 10.6057 11.9712 11.9712 11.9727 11.9727 k = 0.0000 0.0120 0.3038 ( 3898 PWs) bands (ev): -2.8331 -2.8331 -2.8330 -2.8330 1.2175 1.2175 1.2177 1.2177 3.9739 3.9739 3.9756 3.9756 5.6746 5.6746 5.6784 5.6784 6.4088 6.4088 6.4181 6.4181 6.5887 6.5887 6.5920 6.5920 6.8581 6.8581 6.8637 6.8637 7.2160 7.2160 7.2247 7.2247 7.5104 7.5104 7.5126 7.5126 8.5900 8.5900 8.5977 8.5977 10.6035 10.6035 10.6235 10.6235 11.9600 11.9600 11.9612 11.9612 k = 0.0000 0.0000 0.3038 ( 3904 PWs) bands (ev): -2.8344 -2.8344 -2.8343 -2.8343 1.2239 1.2239 1.2240 1.2240 3.9703 3.9703 3.9720 3.9720 5.6706 5.6706 5.6744 5.6744 6.4095 6.4095 6.4189 6.4189 6.5883 6.5883 6.5913 6.5913 6.8573 6.8573 6.8627 6.8627 7.2156 7.2156 7.2239 7.2239 7.5111 7.5111 7.5133 7.5133 8.5885 8.5885 8.5961 8.5961 10.6095 10.6095 10.6295 10.6295 11.9562 11.9562 11.9573 11.9573 k = 0.0000 0.3707-0.0000 ( 3900 PWs) bands (ev): -2.4365 -2.4365 -2.4363 -2.4363 0.3142 0.3142 0.3142 0.3142 3.2016 3.2016 3.2025 3.2025 6.1698 6.1698 6.1829 6.1829 6.3260 6.3260 6.3396 6.3396 6.7636 6.7636 6.7934 6.7934 6.8899 6.8899 6.9144 6.9144 7.1580 7.1580 7.1593 7.1593 8.8856 8.8856 8.9056 8.9056 9.3318 9.3318 9.3478 9.3478 11.2614 11.2614 11.3153 11.3153 11.6293 11.6293 11.6844 11.6844 k = 0.0000 0.3707 0.0122 ( 3908 PWs) bands (ev): -2.4353 -2.4353 -2.4351 -2.4351 0.3089 0.3089 0.3090 0.3090 3.2085 3.2085 3.2094 3.2094 6.1692 6.1692 6.1824 6.1824 6.3253 6.3253 6.3390 6.3390 6.7646 6.7646 6.7944 6.7944 6.8906 6.8906 6.9152 6.9152 7.1581 7.1581 7.1595 7.1595 8.8841 8.8841 8.9041 8.9041 9.3325 9.3325 9.3489 9.3489 11.2567 11.2567 11.3100 11.3100 11.6231 11.6231 11.6776 11.6776 k = 0.0000 0.3707 0.0243 ( 3906 PWs) bands (ev): -2.4317 -2.4317 -2.4315 -2.4315 0.2933 0.2933 0.2934 0.2934 3.2290 3.2290 3.2300 3.2300 6.1676 6.1676 6.1808 6.1808 6.3234 6.3234 6.3374 6.3374 6.7677 6.7677 6.7975 6.7975 6.8930 6.8930 6.9178 6.9178 7.1585 7.1585 7.1600 7.1600 8.8798 8.8798 8.8997 8.8997 9.3349 9.3349 9.3521 9.3521 11.2423 11.2423 11.2943 11.2943 11.6051 11.6051 11.6578 11.6578 k = 0.0000 0.3707 0.0365 ( 3914 PWs) bands (ev): -2.4259 -2.4259 -2.4256 -2.4256 0.2678 0.2678 0.2680 0.2680 3.2626 3.2626 3.2636 3.2636 6.1648 6.1648 6.1783 6.1783 6.3202 6.3202 6.3346 6.3346 6.7727 6.7727 6.8026 6.8026 6.8968 6.8968 6.9220 6.9220 7.1589 7.1589 7.1608 7.1608 8.8727 8.8727 8.8926 8.8926 9.3389 9.3389 9.3573 9.3573 11.2184 11.2184 11.2682 11.2682 11.5761 11.5761 11.6258 11.6258 k = 0.0000 0.3707 0.0486 ( 3908 PWs) bands (ev): -2.4176 -2.4176 -2.4174 -2.4174 0.2333 0.2333 0.2335 0.2335 3.3084 3.3084 3.3094 3.3094 6.1612 6.1612 6.1751 6.1751 6.3160 6.3160 6.3310 6.3310 6.7794 6.7794 6.8093 6.8093 6.9021 6.9021 6.9277 6.9277 7.1596 7.1596 7.1618 7.1618 8.8631 8.8631 8.8828 8.8828 9.3446 9.3446 9.3645 9.3645 11.1849 11.1849 11.2316 11.2316 11.5376 11.5376 11.5831 11.5831 k = 0.0000 0.3707 0.0608 ( 3912 PWs) bands (ev): -2.4071 -2.4071 -2.4069 -2.4069 0.1908 0.1908 0.1910 0.1910 3.3654 3.3654 3.3664 3.3664 6.1569 6.1569 6.1711 6.1711 6.3108 6.3108 6.3265 6.3265 6.7877 6.7877 6.8174 6.8174 6.9087 6.9087 6.9347 6.9347 7.1603 7.1603 7.1629 7.1629 8.8512 8.8512 8.8708 8.8708 9.3522 9.3522 9.3738 9.3738 11.1417 11.1417 11.1846 11.1846 11.4912 11.4912 11.5316 11.5316 k = 0.0000 0.3707 0.0729 ( 3908 PWs) bands (ev): -2.3944 -2.3944 -2.3942 -2.3942 0.1414 0.1414 0.1416 0.1416 3.4322 3.4322 3.4332 3.4332 6.1520 6.1520 6.1667 6.1667 6.3048 6.3048 6.3213 6.3213 6.7972 6.7972 6.8265 6.8265 6.9165 6.9165 6.9429 6.9429 7.1609 7.1609 7.1639 7.1639 8.8376 8.8376 8.8568 8.8568 9.3617 9.3617 9.3850 9.3850 11.0890 11.0890 11.1275 11.1275 11.4386 11.4386 11.4732 11.4732 k = 0.0000 0.3707 0.0851 ( 3908 PWs) bands (ev): -2.3795 -2.3795 -2.3793 -2.3793 0.0861 0.0861 0.0864 0.0864 3.5077 3.5077 3.5087 3.5087 6.1468 6.1468 6.1620 6.1620 6.2982 6.2982 6.3155 6.3155 6.8075 6.8075 6.8363 6.8363 6.9254 6.9254 6.9520 6.9520 7.1613 7.1613 7.1647 7.1647 8.8227 8.8227 8.8415 8.8415 9.3731 9.3731 9.3981 9.3981 11.0266 11.0266 11.0605 11.0605 11.3812 11.3812 11.4099 11.4099 k = 0.0000 0.3707 0.0972 ( 3912 PWs) bands (ev): -2.3625 -2.3625 -2.3623 -2.3623 0.0263 0.0263 0.0265 0.0265 3.5904 3.5904 3.5915 3.5915 6.1415 6.1415 6.1573 6.1573 6.2912 6.2912 6.3093 6.3093 6.8184 6.8184 6.8462 6.8462 6.9351 6.9351 6.9618 6.9618 7.1611 7.1611 7.1650 7.1650 8.8071 8.8071 8.8255 8.8255 9.3864 9.3864 9.4131 9.4131 10.9550 10.9550 10.9843 10.9843 11.3203 11.3203 11.3434 11.3434 k = 0.0000 0.3707 0.1094 ( 3922 PWs) bands (ev): -2.3435 -2.3435 -2.3433 -2.3433 -0.0372 -0.0372 -0.0369 -0.0369 3.6792 3.6792 3.6803 3.6803 6.1363 6.1363 6.1527 6.1527 6.2838 6.2838 6.3028 6.3028 6.8295 6.8295 6.8561 6.8561 6.9454 6.9454 6.9721 6.9721 7.1602 7.1602 7.1645 7.1645 8.7916 8.7916 8.8093 8.8093 9.4017 9.4017 9.4301 9.4301 10.8745 10.8745 10.8997 10.8997 11.2568 11.2568 11.2753 11.2753 k = 0.0000 0.3707 0.1215 ( 3912 PWs) bands (ev): -2.3226 -2.3226 -2.3224 -2.3224 -0.1032 -0.1032 -0.1029 -0.1029 3.7727 3.7727 3.7738 3.7738 6.1316 6.1316 6.1487 6.1487 6.2763 6.2763 6.2963 6.2963 6.8404 6.8404 6.8656 6.8656 6.9562 6.9562 6.9826 6.9826 7.1582 7.1582 7.1630 7.1630 8.7769 8.7769 8.7941 8.7941 9.4188 9.4188 9.4490 9.4490 10.7861 10.7861 10.8078 10.8078 11.1914 11.1914 11.2066 11.2066 k = 0.0000 0.3707 0.1337 ( 3916 PWs) bands (ev): -2.2999 -2.2999 -2.2997 -2.2997 -0.1709 -0.1709 -0.1706 -0.1706 3.8697 3.8697 3.8709 3.8709 6.1274 6.1274 6.1452 6.1452 6.2688 6.2688 6.2898 6.2898 6.8508 6.8508 6.8743 6.8743 6.9672 6.9672 6.9930 6.9930 7.1548 7.1548 7.1600 7.1600 8.7640 8.7640 8.7805 8.7805 9.4376 9.4376 9.4696 9.4696 10.6907 10.6907 10.7099 10.7099 11.1246 11.1246 11.1382 11.1382 k = 0.0000 0.3707 0.1458 ( 3920 PWs) bands (ev): -2.2757 -2.2757 -2.2755 -2.2755 -0.2393 -0.2393 -0.2390 -0.2390 3.9690 3.9690 3.9702 3.9702 6.1240 6.1240 6.1426 6.1426 6.2614 6.2614 6.2835 6.2835 6.8604 6.8604 6.8821 6.8821 6.9780 6.9780 7.0031 7.0031 7.1495 7.1495 7.1553 7.1553 8.7539 8.7539 8.7696 8.7696 9.4580 9.4580 9.4920 9.4920 10.5898 10.5898 10.6074 10.6074 11.0570 11.0570 11.0703 11.0703 k = 0.0000 0.3707 0.1580 ( 3914 PWs) bands (ev): -2.2501 -2.2501 -2.2499 -2.2499 -0.3076 -0.3076 -0.3073 -0.3073 4.0694 4.0694 4.0706 4.0706 6.1215 6.1215 6.1411 6.1411 6.2542 6.2542 6.2776 6.2776 6.8690 6.8690 6.8886 6.8886 6.9884 6.9884 7.0125 7.0125 7.1423 7.1423 7.1485 7.1485 8.7475 8.7475 8.7625 8.7625 9.4796 9.4796 9.5159 9.5159 10.4847 10.4847 10.5015 10.5015 10.9894 10.9894 11.0030 11.0030 k = 0.0000 0.3707 0.1701 ( 3914 PWs) bands (ev): -2.2234 -2.2234 -2.2232 -2.2232 -0.3752 -0.3752 -0.3749 -0.3749 4.1697 4.1697 4.1709 4.1709 6.1202 6.1202 6.1409 6.1409 6.2475 6.2475 6.2722 6.2722 6.8761 6.8761 6.8936 6.8936 6.9978 6.9978 7.0208 7.0208 7.1330 7.1330 7.1398 7.1398 8.7458 8.7458 8.7601 8.7601 9.5021 9.5021 9.5411 9.5411 10.3768 10.3768 10.3939 10.3939 10.9223 10.9223 10.9365 10.9365 k = 0.0000 0.3707 0.1823 ( 3914 PWs) bands (ev): -2.1959 -2.1959 -2.1957 -2.1957 -0.4412 -0.4412 -0.4409 -0.4409 4.2686 4.2686 4.2697 4.2697 6.1203 6.1203 6.1422 6.1422 6.2412 6.2412 6.2674 6.2674 6.8814 6.8814 6.8966 6.8966 7.0057 7.0057 7.0273 7.0273 7.1221 7.1221 7.1296 7.1296 8.7497 8.7497 8.7633 8.7633 9.5248 9.5248 9.5671 9.5671 10.2675 10.2675 10.2862 10.2862 10.8563 10.8563 10.8709 10.8709 k = 0.0000 0.3707 0.1944 ( 3908 PWs) bands (ev): -2.1680 -2.1680 -2.1678 -2.1678 -0.5049 -0.5049 -0.5047 -0.5047 4.3647 4.3647 4.3658 4.3658 6.1218 6.1218 6.1452 6.1452 6.2357 6.2357 6.2635 6.2635 6.8843 6.8843 6.8971 6.8971 7.0111 7.0111 7.0311 7.0311 7.1106 7.1106 7.1191 7.1191 8.7600 8.7600 8.7731 8.7731 9.5464 9.5464 9.5931 9.5931 10.1586 10.1586 10.1805 10.1805 10.7918 10.7918 10.8066 10.8066 k = 0.0000 0.3707 0.2066 ( 3902 PWs) bands (ev): -2.1401 -2.1401 -2.1399 -2.1399 -0.5656 -0.5656 -0.5653 -0.5653 4.4567 4.4567 4.4577 4.4577 6.1247 6.1247 6.1497 6.1497 6.2311 6.2311 6.2606 6.2606 6.8842 6.8842 6.8943 6.8943 7.0128 7.0128 7.0310 7.0310 7.1005 7.1005 7.1102 7.1102 8.7772 8.7772 8.7901 8.7901 9.5648 9.5648 9.6177 9.6177 10.0524 10.0524 10.0795 10.0795 10.7294 10.7294 10.7442 10.7442 k = 0.0000 0.3707 0.2187 ( 3904 PWs) bands (ev): -2.1127 -2.1127 -2.1126 -2.1126 -0.6224 -0.6224 -0.6221 -0.6221 4.5431 4.5431 4.5440 4.5440 6.1291 6.1291 6.1555 6.1555 6.2279 6.2279 6.2589 6.2589 6.8799 6.8799 6.8873 6.8873 7.0104 7.0104 7.0262 7.0262 7.0941 7.0941 7.1046 7.1046 8.8019 8.8019 8.8147 8.8147 9.5758 9.5758 9.6370 9.6370 9.9530 9.9530 9.9880 9.9880 10.6697 10.6697 10.6842 10.6842 k = 0.0000 0.3707 0.2309 ( 3904 PWs) bands (ev): -2.0866 -2.0866 -2.0864 -2.0864 -0.6744 -0.6744 -0.6742 -0.6742 4.6223 4.6223 4.6231 4.6231 6.1347 6.1347 6.1621 6.1621 6.2266 6.2266 6.2586 6.2586 6.8705 6.8705 6.8751 6.8751 7.0049 7.0049 7.0180 7.0180 7.0921 7.0921 7.1024 7.1024 8.8341 8.8341 8.8472 8.8472 9.5721 9.5721 9.6415 9.6415 9.8705 9.8705 9.9137 9.9137 10.6135 10.6135 10.6273 10.6273 k = 0.0000 0.3707 0.2430 ( 3904 PWs) bands (ev): -2.0623 -2.0623 -2.0622 -2.0622 -0.7209 -0.7209 -0.7207 -0.7207 4.6928 4.6928 4.6935 4.6935 6.1412 6.1412 6.1683 6.1683 6.2282 6.2282 6.2597 6.2597 6.8557 6.8557 6.8580 6.8580 6.9988 6.9988 7.0092 7.0092 7.0933 7.0933 7.1025 7.1025 8.8739 8.8739 8.8877 8.8877 9.5439 9.5439 9.6118 9.6118 9.8242 9.8242 9.8661 9.8661 10.5618 10.5618 10.5746 10.5746 k = 0.0000 0.3707 0.2552 ( 3908 PWs) bands (ev): -2.0408 -2.0408 -2.0406 -2.0406 -0.7607 -0.7607 -0.7606 -0.7606 4.7530 4.7530 4.7536 4.7536 6.1481 6.1481 6.1727 6.1727 6.2335 6.2335 6.2622 6.2622 6.8366 6.8366 6.8374 6.8374 6.9940 6.9940 7.0019 7.0019 7.0959 7.0959 7.1036 7.1036 8.9211 8.9211 8.9359 8.9359 9.4895 9.4895 9.5445 9.5445 9.8173 9.8173 9.8468 9.8468 10.5159 10.5159 10.5272 10.5272 k = 0.0000 0.3707 0.2673 ( 3910 PWs) bands (ev): -2.0228 -2.0228 -2.0227 -2.0227 -0.7931 -0.7931 -0.7930 -0.7930 4.8016 4.8016 4.8021 4.8021 6.1547 6.1547 6.1746 6.1746 6.2421 6.2421 6.2656 6.2656 6.8155 6.8155 6.8166 6.8166 6.9909 6.9909 6.9967 6.9967 7.0989 7.0989 7.1048 7.1048 8.9754 8.9754 8.9916 8.9916 9.4182 9.4182 9.4608 9.4608 9.8280 9.8280 9.8459 9.8459 10.4774 10.4774 10.4866 10.4866 k = 0.0000 0.3707 0.2795 ( 3904 PWs) bands (ev): -2.0092 -2.0092 -2.0092 -2.0092 -0.8170 -0.8170 -0.8169 -0.8169 4.8373 4.8373 4.8376 4.8376 6.1606 6.1606 6.1744 6.1744 6.2521 6.2521 6.2685 6.2685 6.7969 6.7969 6.7981 6.7981 6.9894 6.9894 6.9931 6.9931 7.1017 7.1017 7.1057 7.1057 9.0361 9.0361 9.0538 9.0538 9.3406 9.3406 9.3742 9.3742 9.8420 9.8420 9.8519 9.8519 10.4482 10.4482 10.4549 10.4549 k = 0.0000 0.3707 0.2916 ( 3904 PWs) bands (ev): -2.0007 -2.0007 -2.0007 -2.0007 -0.8316 -0.8316 -0.8316 -0.8316 4.8591 4.8591 4.8593 4.8593 6.1656 6.1656 6.1726 6.1726 6.2612 6.2612 6.2696 6.2696 6.7842 6.7842 6.7850 6.7850 6.9889 6.9889 6.9908 6.9908 7.1038 7.1038 7.1058 7.1058 9.1014 9.1014 9.1203 9.1203 9.2646 9.2646 9.2909 9.2909 9.8531 9.8531 9.8575 9.8575 10.4304 10.4304 10.4339 10.4339 k = 0.0000 0.3707 0.3038 ( 3900 PWs) bands (ev): -1.9979 -1.9979 -1.9979 -1.9979 -0.8366 -0.8366 -0.8366 -0.8366 4.8665 4.8665 4.8665 4.8665 6.1696 6.1696 6.1696 6.1696 6.2673 6.2673 6.2673 6.2673 6.7800 6.7800 6.7800 6.7800 6.9895 6.9895 6.9895 6.9895 7.1053 7.1053 7.1053 7.1053 9.1582 9.1582 9.1582 9.1582 9.2257 9.2257 9.2257 9.2257 9.8584 9.8584 9.8584 9.8584 10.4255 10.4255 10.4255 10.4255 k = 0.5000-0.0000 0.3038 ( 3908 PWs) bands (ev): -1.5583 -1.5583 -1.5495 -1.5495 0.5167 0.5167 0.5288 0.5288 4.0765 4.0765 4.1839 4.1839 5.7015 5.7015 5.7754 5.7754 5.8540 5.8540 5.9619 5.9619 6.7609 6.7609 6.7945 6.7945 6.8620 6.8620 6.8775 6.8775 6.9411 6.9411 6.9660 6.9660 7.3723 7.3723 7.3987 7.3987 7.7077 7.7077 7.7988 7.7988 8.4458 8.4458 8.4809 8.4809 9.7990 9.7990 9.9332 9.9332 k = 0.5000-0.0000 0.2916 ( 3904 PWs) bands (ev): -1.5595 -1.5595 -1.5507 -1.5507 0.5195 0.5195 0.5317 0.5317 4.0762 4.0762 4.1834 4.1834 5.6984 5.6984 5.7623 5.7623 5.8654 5.8654 5.9635 5.9635 6.7571 6.7571 6.7912 6.7912 6.8530 6.8530 6.8773 6.8773 6.9478 6.9478 6.9769 6.9769 7.3722 7.3722 7.3984 7.3984 7.6982 7.6982 7.7896 7.7896 8.4542 8.4542 8.4882 8.4882 9.8005 9.8005 9.9347 9.9347 k = 0.5000-0.0000 0.2795 ( 3892 PWs) bands (ev): -1.5629 -1.5629 -1.5542 -1.5542 0.5280 0.5280 0.5403 0.5403 4.0754 4.0754 4.1817 4.1817 5.6894 5.6894 5.7345 5.7345 5.8884 5.8884 5.9678 5.9678 6.7466 6.7466 6.7807 6.7807 6.8410 6.8410 6.8698 6.8698 6.9679 6.9679 7.0005 7.0005 7.3722 7.3722 7.3974 7.3974 7.6716 7.6716 7.7638 7.7638 8.4779 8.4779 8.5087 8.5087 9.8049 9.8049 9.9393 9.9393 k = 0.5000-0.0000 0.2673 ( 3884 PWs) bands (ev): -1.5685 -1.5685 -1.5600 -1.5600 0.5420 0.5420 0.5543 0.5543 4.0739 4.0739 4.1791 4.1791 5.6751 5.6751 5.7022 5.7022 5.9128 5.9128 5.9739 5.9739 6.7305 6.7305 6.7634 6.7634 6.8325 6.8325 6.8592 6.8592 6.9946 6.9946 7.0287 7.0287 7.3722 7.3722 7.3956 7.3956 7.6337 7.6337 7.7258 7.7258 8.5132 8.5132 8.5393 8.5393 9.8122 9.8122 9.9468 9.9468 k = 0.5000-0.0000 0.2552 ( 3884 PWs) bands (ev): -1.5762 -1.5762 -1.5678 -1.5678 0.5612 0.5612 0.5737 0.5737 4.0719 4.0719 4.1753 4.1753 5.6552 5.6552 5.6699 5.6699 5.9355 5.9355 5.9807 5.9807 6.7103 6.7103 6.7428 6.7428 6.8253 6.8253 6.8484 6.8484 7.0227 7.0227 7.0575 7.0575 7.3724 7.3724 7.3927 7.3927 7.5915 7.5915 7.6810 7.6810 8.5562 8.5562 8.5769 8.5769 9.8221 9.8221 9.9570 9.9570 k = 0.5000-0.0000 0.2430 ( 3876 PWs) bands (ev): -1.5857 -1.5857 -1.5775 -1.5775 0.5854 0.5854 0.5981 0.5981 4.0693 4.0693 4.1706 4.1706 5.6261 5.6261 5.6436 5.6436 5.9550 5.9550 5.9870 5.9870 6.6868 6.6868 6.7212 6.7212 6.8158 6.8158 6.8377 6.8377 7.0493 7.0493 7.0842 7.0842 7.3727 7.3727 7.3888 7.3888 7.5525 7.5525 7.6352 7.6352 8.6038 8.6038 8.6190 8.6190 9.8346 9.8346 9.9697 9.9697 k = 0.5000-0.0000 0.2309 ( 3870 PWs) bands (ev): -1.5968 -1.5968 -1.5889 -1.5889 0.6142 0.6142 0.6271 0.6271 4.0662 4.0662 4.1649 4.1649 5.5917 5.5917 5.6209 5.6209 5.9705 5.9705 5.9922 5.9922 6.6596 6.6596 6.6989 6.6989 6.8024 6.8024 6.8259 6.8259 7.0725 7.0725 7.1067 7.1067 7.3721 7.3721 7.3859 7.3859 7.5232 7.5232 7.5938 7.5938 8.6537 8.6537 8.6641 8.6641 9.8493 9.8493 9.9846 9.9846 k = 0.5000-0.0000 0.2187 ( 3870 PWs) bands (ev): -1.6092 -1.6092 -1.6016 -1.6016 0.6472 0.6472 0.6603 0.6603 4.0625 4.0625 4.1582 4.1582 5.5566 5.5566 5.5985 5.5985 5.9814 5.9814 5.9959 5.9959 6.6268 6.6268 6.6751 6.6751 6.7850 6.7850 6.8119 6.8119 7.0912 7.0912 7.1234 7.1234 7.3698 7.3698 7.3874 7.3874 7.5066 7.5066 7.5615 7.5615 8.7040 8.7040 8.7119 8.7119 9.8661 9.8661 10.0015 10.0015 k = 0.5000-0.0000 0.2066 ( 3876 PWs) bands (ev): -1.6227 -1.6227 -1.6154 -1.6154 0.6839 0.6839 0.6973 0.6973 4.0583 4.0583 4.1506 4.1506 5.5220 5.5220 5.5761 5.5761 5.9869 5.9869 5.9979 5.9979 6.5859 6.5859 6.6477 6.6477 6.7658 6.7658 6.7951 6.7951 7.1058 7.1058 7.1347 7.1347 7.3690 7.3690 7.3924 7.3924 7.5022 7.5022 7.5417 7.5417 8.7536 8.7536 8.7626 8.7626 9.8846 9.8846 10.0201 10.0201 k = 0.5000-0.0000 0.1944 ( 3868 PWs) bands (ev): -1.6369 -1.6369 -1.6301 -1.6301 0.7238 0.7238 0.7374 0.7374 4.0537 4.0537 4.1422 4.1422 5.4882 5.4882 5.5542 5.5542 5.9871 5.9871 5.9981 5.9981 6.5346 6.5346 6.6139 6.6139 6.7477 6.7477 6.7772 6.7772 7.1181 7.1181 7.1430 7.1430 7.3717 7.3717 7.3976 7.3976 7.5081 7.5081 7.5364 7.5364 8.8033 8.8033 8.8156 8.8156 9.9047 9.9047 10.0401 10.0401 k = 0.5000-0.0000 0.1823 ( 3868 PWs) bands (ev): -1.6517 -1.6517 -1.6452 -1.6452 0.7664 0.7664 0.7801 0.7801 4.0486 4.0486 4.1330 4.1330 5.4555 5.4555 5.5329 5.5329 5.9827 5.9827 5.9952 5.9952 6.4734 6.4734 6.5714 6.5714 6.7326 6.7326 6.7607 6.7607 7.1304 7.1304 7.1511 7.1511 7.3763 7.3763 7.4008 7.4008 7.5223 7.5223 7.5447 7.5447 8.8540 8.8540 8.8699 8.8699 9.9259 9.9259 10.0612 10.0612 k = 0.5000-0.0000 0.1701 ( 3878 PWs) bands (ev): -1.6667 -1.6667 -1.6606 -1.6606 0.8110 0.8110 0.8248 0.8248 4.0431 4.0431 4.1231 4.1231 5.4242 5.4242 5.5125 5.5125 5.9743 5.9743 5.9885 5.9885 6.4048 6.4048 6.5201 6.5201 6.7213 6.7213 6.7473 6.7473 7.1440 7.1440 7.1610 7.1610 7.3810 7.3810 7.4018 7.4018 7.5431 7.5431 7.5633 7.5633 8.9063 8.9063 8.9256 8.9256 9.9480 9.9480 10.0831 10.0831 k = 0.5000-0.0000 0.1580 ( 3874 PWs) bands (ev): -1.6817 -1.6817 -1.6760 -1.6760 0.8572 0.8572 0.8710 0.8710 4.0372 4.0372 4.1126 4.1126 5.3946 5.3946 5.4933 5.4933 5.9617 5.9617 5.9777 5.9777 6.3332 6.3332 6.4624 6.4624 6.7133 6.7133 6.7371 6.7371 7.1596 7.1596 7.1735 7.1735 7.3850 7.3850 7.4015 7.4015 7.5685 7.5685 7.5880 7.5880 8.9607 8.9607 8.9828 8.9828 9.9705 9.9705 10.1052 10.1052 k = 0.5000-0.0000 0.1458 ( 3874 PWs) bands (ev): -1.6964 -1.6964 -1.6912 -1.6912 0.9042 0.9042 0.9179 0.9179 4.0310 4.0310 4.1016 4.1016 5.3669 5.3669 5.4753 5.4753 5.9436 5.9436 5.9622 5.9622 6.2631 6.2631 6.4017 6.4017 6.7080 6.7080 6.7297 6.7297 7.1769 7.1769 7.1883 7.1883 7.3881 7.3881 7.4007 7.4007 7.5965 7.5965 7.6156 7.6156 9.0174 9.0174 9.0420 9.0420 9.9931 9.9931 10.1272 10.1272 k = 0.5000-0.0000 0.1337 ( 3870 PWs) bands (ev): -1.7107 -1.7107 -1.7059 -1.7059 0.9514 0.9514 0.9649 0.9649 4.0246 4.0246 4.0901 4.0901 5.3413 5.3413 5.4587 5.4587 5.9183 5.9183 5.9417 5.9417 6.1995 6.1995 6.3415 6.3415 6.7047 6.7047 6.7243 6.7243 7.1955 7.1955 7.2050 7.2050 7.3905 7.3905 7.3997 7.3997 7.6256 7.6256 7.6441 7.6441 9.0767 9.0767 9.1034 9.1034 10.0151 10.0151 10.1485 10.1485 k = 0.5000-0.0000 0.1215 ( 3866 PWs) bands (ev): -1.7243 -1.7243 -1.7200 -1.7200 0.9981 0.9981 1.0113 1.0113 4.0181 4.0181 4.0783 4.0783 5.3181 5.3181 5.4434 5.4434 5.8834 5.8834 5.9163 5.9163 6.1471 6.1471 6.2847 6.2847 6.7028 6.7028 6.7203 6.7203 7.2147 7.2147 7.2227 7.2227 7.3923 7.3923 7.3989 7.3989 7.6543 7.6543 7.6720 7.6720 9.1387 9.1387 9.1670 9.1670 10.0358 10.0358 10.1681 10.1681 k = 0.5000-0.0000 0.1094 ( 3862 PWs) bands (ev): -1.7371 -1.7371 -1.7332 -1.7332 1.0436 1.0436 1.0563 1.0563 4.0116 4.0116 4.0663 4.0663 5.2975 5.2975 5.4294 5.4294 5.8387 5.8387 5.8862 5.8862 6.1080 6.1080 6.2338 6.2338 6.7019 6.7019 6.7173 6.7173 7.2339 7.2339 7.2409 7.2409 7.3938 7.3938 7.3982 7.3982 7.6819 7.6819 7.6984 7.6984 9.2032 9.2032 9.2330 9.2330 10.0545 10.0545 10.1851 10.1851 k = 0.5000-0.0000 0.0972 ( 3850 PWs) bands (ev): -1.7489 -1.7489 -1.7454 -1.7454 1.0872 1.0872 1.0992 1.0992 4.0053 4.0053 4.0544 4.0544 5.2799 5.2799 5.4163 5.4163 5.7875 5.7875 5.8519 5.8519 6.0807 6.0807 6.1899 6.1899 6.7016 6.7016 6.7151 6.7151 7.2526 7.2526 7.2589 7.2589 7.3949 7.3949 7.3977 7.3977 7.7076 7.7076 7.7227 7.7227 9.2700 9.2700 9.3012 9.3012 10.0701 10.0701 10.1983 10.1983 k = 0.5000-0.0000 0.0851 ( 3848 PWs) bands (ev): -1.7596 -1.7596 -1.7566 -1.7566 1.1281 1.1281 1.1393 1.1393 3.9993 3.9993 4.0426 4.0426 5.2656 5.2656 5.4036 5.4036 5.7348 5.7348 5.8144 5.8144 6.0621 6.0621 6.1535 6.1535 6.7017 6.7017 6.7133 6.7133 7.2703 7.2703 7.2760 7.2760 7.3956 7.3956 7.3975 7.3975 7.7310 7.7310 7.7445 7.7445 9.3387 9.3387 9.3711 9.3711 10.0817 10.0817 10.2063 10.2063 k = 0.5000-0.0000 0.0729 ( 3840 PWs) bands (ev): -1.7691 -1.7691 -1.7665 -1.7665 1.1656 1.1656 1.1757 1.1757 3.9938 3.9938 4.0313 4.0313 5.2548 5.2548 5.3905 5.3905 5.6856 5.6856 5.7754 5.7754 6.0496 6.0496 6.1240 6.1240 6.7021 6.7021 6.7119 6.7119 7.2865 7.2865 7.2917 7.2917 7.3960 7.3960 7.3977 7.3977 7.7518 7.7518 7.7636 7.7636 9.4085 9.4085 9.4421 9.4421 10.0882 10.0882 10.2076 10.2076 k = 0.5000-0.0000 0.0608 ( 3832 PWs) bands (ev): -1.7772 -1.7772 -1.7750 -1.7750 1.1991 1.1991 1.2079 1.2079 3.9891 3.9891 4.0206 4.0206 5.2480 5.2480 5.3761 5.3761 5.6437 5.6437 5.7366 5.7366 6.0413 6.0413 6.1004 6.1004 6.7027 6.7027 6.7107 6.7107 7.3008 7.3008 7.3057 7.3057 7.3961 7.3961 7.3981 7.3981 7.7698 7.7698 7.7797 7.7797 9.4784 9.4784 9.5131 9.5131 10.0888 10.0888 10.2008 10.2008 k = 0.5000-0.0000 0.0486 ( 3836 PWs) bands (ev): -1.7840 -1.7840 -1.7822 -1.7822 1.2277 1.2277 1.2350 1.2350 3.9854 3.9854 4.0108 4.0108 5.2455 5.2455 5.3592 5.3592 5.6120 5.6120 5.6997 5.6997 6.0361 6.0361 6.0815 6.0815 6.7034 6.7034 6.7097 6.7097 7.3130 7.3130 7.3174 7.3174 7.3963 7.3963 7.3986 7.3986 7.7848 7.7848 7.7928 7.7928 9.5467 9.5467 9.5820 9.5820 10.0836 10.0836 10.1851 10.1851 k = 0.5000-0.0000 0.0365 ( 3842 PWs) bands (ev): -1.7892 -1.7892 -1.7879 -1.7879 1.2510 1.2510 1.2566 1.2566 3.9829 3.9829 4.0021 4.0021 5.2473 5.2473 5.3399 5.3399 5.5919 5.5919 5.6660 5.6660 6.0335 6.0335 6.0665 6.0665 6.7041 6.7041 6.7088 6.7088 7.3228 7.3228 7.3265 7.3265 7.3966 7.3966 7.3988 7.3988 7.7967 7.7967 7.8027 7.8027 9.6112 9.6112 9.6456 9.6456 10.0738 10.0738 10.1607 10.1607 k = 0.5000-0.0000 0.0243 ( 3846 PWs) bands (ev): -1.7929 -1.7929 -1.7921 -1.7921 1.2683 1.2683 1.2721 1.2721 3.9819 3.9819 3.9948 3.9948 5.2538 5.2538 5.3191 5.3191 5.5833 5.5833 5.6367 5.6367 6.0333 6.0333 6.0548 6.0548 6.7048 6.7048 6.7080 6.7080 7.3301 7.3301 7.3328 7.3328 7.3971 7.3971 7.3989 7.3989 7.8056 7.8056 7.8096 7.8096 9.6684 9.6684 9.6983 9.6983 10.0634 10.0634 10.1298 10.1298 k = 0.5000-0.0000 0.0122 ( 3854 PWs) bands (ev): -1.7951 -1.7951 -1.7947 -1.7947 1.2792 1.2792 1.2812 1.2812 3.9826 3.9826 3.9890 3.9890 5.2648 5.2648 5.2985 5.2985 5.5849 5.5849 5.6128 5.6128 6.0353 6.0353 6.0459 6.0459 6.7056 6.7056 6.7071 6.7071 7.3348 7.3348 7.3363 7.3363 7.3977 7.3977 7.3987 7.3987 7.8113 7.8113 7.8133 7.8133 9.7128 9.7128 9.7313 9.7313 10.0601 10.0601 10.0974 10.0974 k = 0.5000-0.0000-0.0000 ( 3866 PWs) bands (ev): -1.7957 -1.7957 -1.7957 -1.7957 1.2836 1.2836 1.2836 1.2836 3.9849 3.9849 3.9849 3.9849 5.2800 5.2800 5.2800 5.2800 5.5951 5.5951 5.5951 5.5951 6.0394 6.0394 6.0394 6.0394 6.7064 6.7064 6.7064 6.7064 7.3369 7.3369 7.3369 7.3369 7.3983 7.3983 7.3983 7.3983 7.8138 7.8138 7.8138 7.8138 9.7363 9.7363 9.7363 9.7363 10.0715 10.0715 10.0715 10.0715 k = 0.5000 0.3707-0.0000 ( 3908 PWs) bands (ev): -1.3810 -1.3810 -1.3739 -1.3739 0.6535 0.6535 0.6574 0.6574 4.3669 4.3669 4.5321 4.5321 4.6005 4.6005 4.6741 4.6741 5.0754 5.0754 5.2422 5.2422 6.3088 6.3088 6.3499 6.3499 6.4017 6.4017 6.5932 6.5932 6.9602 6.9602 6.9728 6.9728 7.2558 7.2558 7.2895 7.2895 7.4377 7.4377 7.4402 7.4402 8.7943 8.7943 8.8557 8.8557 12.5194 12.5194 12.6403 12.6403 k = 0.5000 0.3707 0.0122 ( 3908 PWs) bands (ev): -1.3803 -1.3803 -1.3733 -1.3733 0.6526 0.6538 0.6566 0.6577 4.3459 4.3578 4.4984 4.5156 4.5973 4.5995 4.6717 4.6751 5.0917 5.1079 5.2539 5.2633 6.2950 6.3244 6.3447 6.3545 6.3908 6.4168 6.5924 6.5969 6.9595 6.9630 6.9730 6.9734 7.2541 7.2593 7.2880 7.2925 7.4374 7.4385 7.4400 7.4407 8.7980 8.7991 8.8585 8.8602 12.5161 12.5191 12.6370 12.6403 k = 0.5000 0.3707 0.0243 ( 3908 PWs) bands (ev): -1.3784 -1.3783 -1.3713 -1.3713 0.6511 0.6534 0.6552 0.6573 4.3005 4.3215 4.4320 4.4592 4.5896 4.5924 4.6637 4.6679 5.1513 5.1785 5.2963 5.3139 6.2838 6.3384 6.3393 6.3583 6.3869 6.4349 6.5947 6.6031 6.9609 6.9678 6.9742 6.9749 7.2543 7.2647 7.2878 7.2969 7.4377 7.4399 7.4401 7.4417 8.8102 8.8125 8.8687 8.8721 12.5091 12.5150 12.6303 12.6368 k = 0.5000 0.3707 0.0365 ( 3904 PWs) bands (ev): -1.3751 -1.3750 -1.3681 -1.3680 0.6490 0.6525 0.6531 0.6564 4.2392 4.2660 4.3512 4.3836 4.5750 4.5772 4.6452 4.6493 5.2391 5.2726 5.3637 5.3876 6.2754 6.3343 6.3449 6.3612 6.3958 6.4553 6.5998 6.6114 6.9644 6.9743 6.9762 6.9773 7.2564 7.2719 7.2892 7.3026 7.4385 7.4407 7.4421 7.4433 8.8312 8.8344 8.8865 8.8913 12.4985 12.5072 12.6202 12.6299 k = 0.5000 0.3707 0.0486 ( 3904 PWs) bands (ev): -1.3705 -1.3704 -1.3636 -1.3634 0.6463 0.6505 0.6509 0.6548 4.1690 4.1995 4.2651 4.3004 4.5527 4.5537 4.6167 4.6207 5.3430 5.3802 5.4490 5.4778 6.2698 6.3300 6.3443 6.3634 6.4158 6.4773 6.6070 6.6209 6.9699 6.9791 6.9804 6.9823 7.2603 7.2807 7.2919 7.3095 7.4400 7.4417 7.4451 7.4454 8.8608 8.8649 8.9118 8.9180 12.4841 12.4956 12.6066 12.6193 k = 0.5000 0.3707 0.0608 ( 3904 PWs) bands (ev): -1.3647 -1.3646 -1.3578 -1.3577 0.6429 0.6472 0.6486 0.6526 4.0948 4.1277 4.1784 4.2156 4.5227 4.5231 4.5799 4.5838 5.4560 5.4957 5.5464 5.5793 6.2667 6.3270 6.3421 6.3654 6.4409 6.5004 6.6158 6.6312 6.9771 6.9828 6.9845 6.9914 7.2661 7.2912 7.2961 7.3175 7.4423 7.4432 7.4484 7.4492 8.8993 8.9040 8.9449 8.9523 12.4659 12.4799 12.5894 12.6049 k = 0.5000 0.3707 0.0729 ( 3904 PWs) bands (ev): -1.3577 -1.3576 -1.3510 -1.3508 0.6389 0.6433 0.6457 0.6497 4.0197 4.0542 4.0936 4.1320 4.4855 4.4868 4.5365 4.5402 5.5740 5.6158 5.6515 5.6878 6.2659 6.3259 6.3404 6.3677 6.4678 6.5240 6.6253 6.6418 6.9857 6.9874 6.9893 7.0014 7.2739 7.3017 7.3032 7.3263 7.4453 7.4455 7.4523 7.4548 8.9465 8.9516 8.9858 8.9940 12.4437 12.4600 12.5683 12.5866 k = 0.5000 0.3707 0.0851 ( 3916 PWs) bands (ev): -1.3496 -1.3495 -1.3430 -1.3428 0.6342 0.6387 0.6420 0.6461 3.9459 3.9815 4.0120 4.0514 4.4429 4.4451 4.4876 4.4913 5.6942 5.7381 5.7603 5.8002 6.2674 6.3270 6.3401 6.3710 6.4950 6.5473 6.6351 6.6524 6.9926 6.9950 6.9955 7.0118 7.2836 7.3086 7.3163 7.3354 7.4483 7.4499 7.4578 7.4623 9.0025 9.0077 9.0346 9.0434 12.4173 12.4358 12.5433 12.5640 k = 0.5000 0.3707 0.0972 ( 3904 PWs) bands (ev): -1.3406 -1.3404 -1.3341 -1.3339 0.6289 0.6334 0.6377 0.6419 3.8746 3.9112 3.9346 3.9748 4.3961 4.3990 4.4347 4.4383 5.8139 5.8605 5.8694 5.9134 6.2717 6.3318 6.3415 6.3763 6.5216 6.5701 6.6447 6.6628 6.9990 7.0018 7.0062 7.0227 7.2951 7.3168 7.3303 7.3446 7.4524 7.4559 7.4653 7.4724 9.0672 9.0722 9.0913 9.1004 12.3867 12.4070 12.5141 12.5369 k = 0.5000 0.3707 0.1094 ( 3908 PWs) bands (ev): -1.3306 -1.3304 -1.3243 -1.3240 0.6229 0.6275 0.6327 0.6369 3.8071 3.8444 3.8620 3.9028 4.3460 4.3494 4.3787 4.3822 5.9300 5.9744 5.9804 6.0235 6.2798 6.3419 6.3454 6.3850 6.5469 6.5919 6.6540 6.6731 7.0060 7.0096 7.0176 7.0337 7.3083 7.3259 7.3443 7.3532 7.4581 7.4640 7.4757 7.4858 9.1402 9.1449 9.1559 9.1649 12.3516 12.3734 12.4804 12.5050 k = 0.5000 0.3707 0.1215 ( 3904 PWs) bands (ev): -1.3199 -1.3197 -1.3138 -1.3135 0.6162 0.6209 0.6269 0.6312 3.7439 3.7818 3.7946 3.8361 4.2934 4.2974 4.3207 4.3241 6.0373 6.0690 6.0941 6.1252 6.2951 6.3535 6.3614 6.4006 6.5706 6.6125 6.6631 6.6835 7.0141 7.0187 7.0295 7.0450 7.3228 7.3358 7.3578 7.3611 7.4664 7.4752 7.4902 7.5033 9.2214 9.2256 9.2283 9.2369 12.3118 12.3348 12.4419 12.4680 k = 0.5000 0.3707 0.1337 ( 3896 PWs) bands (ev): -1.3085 -1.3083 -1.3026 -1.3023 0.6090 0.6137 0.6206 0.6248 3.6856 3.7241 3.7327 3.7748 4.2393 4.2435 4.2614 4.2646 6.1260 6.1445 6.1938 6.2094 6.3252 6.3714 6.3961 6.4295 6.5927 6.6320 6.6723 6.6945 7.0231 7.0292 7.0418 7.0567 7.3379 7.3459 7.3679 7.3701 7.4786 7.4906 7.5101 7.5259 9.3082 9.3102 9.3139 9.3160 12.2671 12.2909 12.3984 12.4255 k = 0.5000 0.3707 0.1458 ( 3892 PWs) bands (ev): -1.2967 -1.2964 -1.2910 -1.2906 0.6012 0.6059 0.6136 0.6178 3.6326 3.6717 3.6766 3.7193 4.1842 4.1887 4.2016 4.2046 6.1839 6.1947 6.2636 6.2665 6.3796 6.4121 6.4485 6.4785 6.6133 6.6509 6.6823 6.7069 7.0334 7.0414 7.0547 7.0690 7.3527 7.3558 7.3737 7.3805 7.4968 7.5118 7.5367 7.5544 9.3952 9.4020 9.4060 9.4096 12.2172 12.2415 12.3495 12.3774 k = 0.5000 0.3707 0.1580 ( 3896 PWs) bands (ev): -1.2845 -1.2842 -1.2791 -1.2787 0.5929 0.5975 0.6061 0.6102 3.5852 3.6249 3.6264 3.6698 4.1289 4.1336 4.1419 4.1447 6.2138 6.2237 6.2974 6.2982 6.4515 6.4791 6.5105 6.5409 6.6333 6.6699 6.6949 6.7224 7.0450 7.0553 7.0681 7.0822 7.3650 7.3659 7.3785 7.3889 7.5233 7.5406 7.5711 7.5898 9.4891 9.4945 9.5082 9.5123 12.1621 12.1864 12.2952 12.3233 k = 0.5000 0.3707 0.1701 ( 3896 PWs) bands (ev): -1.2722 -1.2719 -1.2671 -1.2667 0.5843 0.5888 0.5982 0.6022 3.5435 3.5822 3.5838 3.6263 4.0740 4.0787 4.0832 4.0855 6.2298 6.2404 6.3128 6.3155 6.5236 6.5497 6.5687 6.5988 6.6552 6.6908 6.7144 6.7432 7.0581 7.0709 7.0823 7.0966 7.3731 7.3768 7.3827 7.3956 7.5603 7.5789 7.6140 7.6331 9.5891 9.5930 9.6161 9.6214 12.1016 12.1256 12.2352 12.2632 k = 0.5000 0.3707 0.1823 ( 3880 PWs) bands (ev): -1.2600 -1.2597 -1.2552 -1.2547 0.5755 0.5799 0.5900 0.5939 3.5076 3.5439 3.5486 3.5888 4.0202 4.0247 4.0258 4.0278 6.2398 6.2508 6.3216 6.3260 6.5833 6.6044 6.6129 6.6380 6.6845 6.7165 6.7459 6.7709 7.0728 7.0880 7.0973 7.1121 7.3801 7.3853 7.3864 7.4007 7.6088 7.6277 7.6658 7.6849 9.6950 9.6970 9.7294 9.7362 12.0355 12.0588 12.1695 12.1970 k = 0.5000 0.3707 0.1944 ( 3880 PWs) bands (ev): -1.2480 -1.2476 -1.2435 -1.2431 0.5667 0.5709 0.5817 0.5854 3.4775 3.5116 3.5193 3.5573 3.9679 3.9703 3.9719 3.9722 6.2470 6.2577 6.3277 6.3330 6.6246 6.6359 6.6416 6.6587 6.7238 6.7487 6.7848 6.8024 7.0886 7.1058 7.1127 7.1282 7.3859 7.3896 7.3916 7.4046 7.6683 7.6869 7.7262 7.7450 9.8056 9.8061 9.8471 9.8559 11.9638 11.9861 12.0982 12.1249 k = 0.5000 0.3707 0.2066 ( 3888 PWs) bands (ev): -1.2365 -1.2361 -1.2324 -1.2319 0.5580 0.5619 0.5735 0.5770 3.4531 3.4849 3.4958 3.5317 3.9173 3.9177 3.9186 3.9217 6.2525 6.2627 6.3325 6.3382 6.6495 6.6537 6.6594 6.6698 6.7636 6.7838 6.8210 6.8325 7.1051 7.1235 7.1281 7.1439 7.3906 7.3926 7.3963 7.4075 7.7371 7.7551 7.7940 7.8123 9.9188 9.9213 9.9688 9.9799 11.8863 11.9072 12.0214 12.0470 k = 0.5000 0.3707 0.2187 ( 3884 PWs) bands (ev): -1.2256 -1.2252 -1.2220 -1.2215 0.5497 0.5532 0.5655 0.5688 3.4343 3.4637 3.4780 3.5117 3.8669 3.8686 3.8702 3.8737 6.2572 6.2664 6.3366 6.3422 6.6633 6.6669 6.6708 6.6769 6.7973 6.8162 6.8494 6.8581 7.1215 7.1400 7.1427 7.1584 7.3943 7.3956 7.3999 7.4095 7.8122 7.8293 7.8669 7.8846 10.0353 10.0403 10.0935 10.1072 11.8027 11.8218 11.9391 11.9636 k = 0.5000 0.3707 0.2309 ( 3884 PWs) bands (ev): -1.2156 -1.2152 -1.2124 -1.2119 0.5419 0.5451 0.5581 0.5610 3.4206 3.4474 3.4658 3.4969 3.8198 3.8227 3.8258 3.8289 6.2611 6.2692 6.3402 6.3454 6.6719 6.6769 6.6784 6.6820 6.8242 6.8432 6.8695 6.8786 7.1368 7.1547 7.1557 7.1708 7.3971 7.3987 7.4026 7.4110 7.8896 7.9055 7.9419 7.9586 10.1543 10.1623 10.2203 10.2370 11.7126 11.7293 11.8508 11.8739 k = 0.5000 0.3707 0.2430 ( 3880 PWs) bands (ev): -1.2068 -1.2063 -1.2040 -1.2035 0.5349 0.5377 0.5514 0.5539 3.4118 3.4357 3.4586 3.4869 3.7770 3.7814 3.7851 3.7881 6.2645 6.2714 6.3433 6.3479 6.6781 6.6835 6.6841 6.6863 6.8452 6.8645 6.8830 6.8940 7.1505 7.1666 7.1673 7.1810 7.3994 7.4015 7.4046 7.4119 7.9651 7.9795 8.0152 8.0304 10.2749 10.2862 10.3477 10.3681 11.6157 11.6293 11.7553 11.7760 k = 0.5000 0.3707 0.2552 ( 3884 PWs) bands (ev): -1.1992 -1.1987 -1.1969 -1.1964 0.5289 0.5312 0.5457 0.5477 3.4071 3.4276 3.4560 3.4809 3.7392 3.7456 3.7485 3.7522 6.2673 6.2729 6.3459 6.3497 6.6828 6.6867 6.6892 6.6899 6.8614 6.8810 6.8916 6.9046 7.1620 7.1752 7.1777 7.1888 7.4015 7.4039 7.4059 7.4123 8.0346 8.0470 8.0828 8.0960 10.3956 10.4109 10.4738 10.4987 11.5128 11.5234 11.6511 11.6671 k = 0.5000 0.3707 0.2673 ( 3888 PWs) bands (ev): -1.1930 -1.1925 -1.1913 -1.1908 0.5241 0.5259 0.5410 0.5426 3.4059 3.4224 3.4572 3.4779 3.7077 3.7163 3.7169 3.7224 6.2696 6.2739 6.3481 6.3510 6.6862 6.6888 6.6927 6.6928 6.8740 6.8935 6.8965 6.9113 7.1714 7.1813 7.1859 7.1943 7.4033 7.4059 7.4068 7.4123 8.0941 8.1039 8.1410 8.1515 10.5142 10.5347 10.5947 10.6259 11.4064 11.4176 11.5391 11.5493 k = 0.5000 0.3707 0.2795 ( 3884 PWs) bands (ev): -1.1884 -1.1879 -1.1872 -1.1867 0.5207 0.5219 0.5377 0.5387 3.4072 3.4189 3.4611 3.4762 3.6841 3.6917 3.6946 3.6993 6.2715 6.2744 6.3498 6.3518 6.6886 6.6902 6.6949 6.6950 6.8836 6.8986 6.9029 6.9148 7.1785 7.1851 7.1920 7.1977 7.4048 7.4072 7.4077 7.4120 8.1400 8.1469 8.1861 8.1935 10.6267 10.6542 10.7022 10.7423 11.3045 11.3229 11.4229 11.4317 k = 0.5000 0.3707 0.2916 ( 3876 PWs) bands (ev): -1.1855 -1.1849 -1.1849 -1.1843 0.5187 0.5193 0.5357 0.5363 3.4099 3.4160 3.4663 3.4744 3.6700 3.6744 3.6817 3.6843 6.2729 6.2744 6.3511 6.3521 6.6902 6.6909 6.6962 6.6963 6.8907 6.8982 6.9096 6.9155 7.1834 7.1868 7.1963 7.1991 7.4060 7.4072 7.4091 7.4113 8.1695 8.1731 8.2152 8.2190 10.7240 10.7617 10.7763 10.8266 11.2310 11.2596 11.3116 11.3284 k = 0.5000 0.3707 0.3038 ( 3872 PWs) bands (ev): -1.1843 -1.1843 -1.1838 -1.1838 0.5182 0.5182 0.5352 0.5352 3.4130 3.4130 3.4711 3.4711 3.6668 3.6668 3.6782 3.6782 6.2739 6.2739 6.3519 6.3519 6.6909 6.6909 6.6967 6.6967 6.8955 6.8955 6.9137 6.9137 7.1862 7.1862 7.1987 7.1987 7.4068 7.4068 7.4104 7.4104 8.1808 8.1808 8.2265 8.2265 10.7845 10.7845 10.8341 10.8341 11.2322 11.2322 11.2604 11.2604 Writing output data file NiSb2.save init_run : 0.55s CPU 0.92s WALL ( 1 calls) electrons : 439.43s CPU 443.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.13s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 439.43s CPU 443.70s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.03s WALL ( 1 calls) newd : 0.19s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.06s WALL ( 400 calls) cegterg : 411.88s CPU 415.58s WALL ( 851 calls) Called by sum_band: Called by *egterg: h_psi : 255.64s CPU 263.69s WALL ( 14107 calls) s_psi : 30.67s CPU 31.44s WALL ( 14107 calls) g_psi : 0.52s CPU 0.57s WALL ( 12856 calls) cdiaghg : 95.22s CPU 91.15s WALL ( 13256 calls) cegterg:over : 24.28s CPU 20.52s WALL ( 12856 calls) cegterg:upda : 5.03s CPU 8.80s WALL ( 12856 calls) cegterg:last : 5.79s CPU 6.91s WALL ( 2465 calls) Called by h_psi: h_psi:vloc : 217.28s CPU 221.58s WALL ( 14107 calls) h_psi:vnl : 38.25s CPU 41.71s WALL ( 14107 calls) add_vuspsi : 17.23s CPU 21.83s WALL ( 14107 calls) General routines calbec : 21.01s CPU 19.85s WALL ( 14107 calls) fft : 0.01s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 215.83s CPU 214.50s WALL ( 1484488 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.12s CPU 0.16s WALL ( 800 calls) Parallel routines fft_scatter : 204.98s CPU 151.83s WALL ( 1484511 calls) PWSCF : 7m47.46s CPU 8m 2.81s WALL This run was terminated on: 17: 3:53 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=