Program PWSCF v.5.1.1 starts on 1Nov2015 at 9:37:32 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./NbCu3S4.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized file Cu.rel-pbe-dn-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 47 34 10 1717 1042 162 Max 48 35 11 1722 1063 165 Sum 2289 1649 481 82519 50301 7809 bravais-lattice index = 14 lattice parameter (alat) = 10.3859 a.u. unit-cell volume = 1120.3060 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 70.00 number of Kohn-Sham states= 84 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 267.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.385934 celldm(2)= 1.000000 celldm(3)= 1.000000 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 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 Nb read from file: /home/autes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 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. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 S 6.00 32.06500 S( 1.00) Nb 13.00 92.90640 Nb( 1.00) Cu 11.00 63.54600 Cu( 1.00) 24 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 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 = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 17 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(17) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(17) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 18 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(18) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 19 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(19) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(19) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 20 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(20) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(20) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 21 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(21) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(21) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(22) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 23 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(23) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(23) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(24) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(24) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) double point group T_d (-43m) there are 8 classes and 3 irreducible representations the character table: E -E 8C3 -8C3 3C2 6s_d 6S4 -6S4 -3C2 -6s_d G_6 2.00 -2.00 1.00 -1.00 0.00 0.00 1.41 -1.41 G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.41 1.41 G_8 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2 -3C2 2 -2 3 -3 4 -4 8C3 5 7 8 6 12 9 10 11 6s_d -6s_d 13 -13 14 -14 17 -17 18 -18 21 -21 22 -22 6S4 15 16 20 19 23 24 -E -1 -8C3 -5 -7 -8 -6 -12 -9 -10 -11 -6S4 -15 -16 -20 -19 -23 -24 Cartesian axes number of k points= 225 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 2) = ( 0.0000000 0.0172414 -0.0000000), wk = 0.0044444 k( 3) = ( 0.0000000 0.0344828 -0.0000000), wk = 0.0044444 k( 4) = ( 0.0000000 0.0517241 -0.0000000), wk = 0.0044444 k( 5) = ( 0.0000000 0.0689655 -0.0000000), wk = 0.0044444 k( 6) = ( 0.0000000 0.0862069 -0.0000000), wk = 0.0044444 k( 7) = ( 0.0000000 0.1034483 -0.0000000), wk = 0.0044444 k( 8) = ( 0.0000000 0.1206897 -0.0000000), wk = 0.0044444 k( 9) = ( 0.0000000 0.1379310 -0.0000000), wk = 0.0044444 k( 10) = ( 0.0000000 0.1551724 -0.0000000), wk = 0.0044444 k( 11) = ( 0.0000000 0.1724138 -0.0000000), wk = 0.0044444 k( 12) = ( 0.0000000 0.1896552 -0.0000000), wk = 0.0044444 k( 13) = ( 0.0000000 0.2068966 -0.0000000), wk = 0.0044444 k( 14) = ( 0.0000000 0.2241379 -0.0000000), wk = 0.0044444 k( 15) = ( 0.0000000 0.2413793 -0.0000000), wk = 0.0044444 k( 16) = ( 0.0000000 0.2586207 -0.0000000), wk = 0.0044444 k( 17) = ( 0.0000000 0.2758621 -0.0000000), wk = 0.0044444 k( 18) = ( 0.0000000 0.2931034 -0.0000000), wk = 0.0044444 k( 19) = ( 0.0000000 0.3103448 -0.0000000), wk = 0.0044444 k( 20) = ( 0.0000000 0.3275862 -0.0000000), wk = 0.0044444 k( 21) = ( 0.0000000 0.3448276 -0.0000000), wk = 0.0044444 k( 22) = ( 0.0000000 0.3620690 -0.0000000), wk = 0.0044444 k( 23) = ( 0.0000000 0.3793103 -0.0000000), wk = 0.0044444 k( 24) = ( 0.0000000 0.3965517 -0.0000000), wk = 0.0044444 k( 25) = ( 0.0000000 0.4137931 -0.0000000), wk = 0.0044444 k( 26) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0044444 k( 27) = ( 0.0000000 0.4482759 -0.0000000), wk = 0.0044444 k( 28) = ( 0.0000000 0.4655172 -0.0000000), wk = 0.0044444 k( 29) = ( 0.0000000 0.4827586 -0.0000000), wk = 0.0044444 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 32) = ( 0.0172414 0.5000000 -0.0000000), wk = 0.0044444 k( 33) = ( 0.0344828 0.5000000 -0.0000000), wk = 0.0044444 k( 34) = ( 0.0517241 0.5000000 -0.0000000), wk = 0.0044444 k( 35) = ( 0.0689655 0.5000000 -0.0000000), wk = 0.0044444 k( 36) = ( 0.0862069 0.5000000 -0.0000000), wk = 0.0044444 k( 37) = ( 0.1034483 0.5000000 -0.0000000), wk = 0.0044444 k( 38) = ( 0.1206897 0.5000000 -0.0000000), wk = 0.0044444 k( 39) = ( 0.1379310 0.5000000 -0.0000000), wk = 0.0044444 k( 40) = ( 0.1551724 0.5000000 -0.0000000), wk = 0.0044444 k( 41) = ( 0.1724138 0.5000000 -0.0000000), wk = 0.0044444 k( 42) = ( 0.1896552 0.5000000 -0.0000000), wk = 0.0044444 k( 43) = ( 0.2068966 0.5000000 -0.0000000), wk = 0.0044444 k( 44) = ( 0.2241379 0.5000000 -0.0000000), wk = 0.0044444 k( 45) = ( 0.2413793 0.5000000 -0.0000000), wk = 0.0044444 k( 46) = ( 0.2586207 0.5000000 -0.0000000), wk = 0.0044444 k( 47) = ( 0.2758621 0.5000000 -0.0000000), wk = 0.0044444 k( 48) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0044444 k( 49) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0044444 k( 50) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0044444 k( 51) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0044444 k( 52) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0044444 k( 53) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0044444 k( 54) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0044444 k( 55) = ( 0.4137931 0.5000000 -0.0000000), wk = 0.0044444 k( 56) = ( 0.4310345 0.5000000 -0.0000000), wk = 0.0044444 k( 57) = ( 0.4482759 0.5000000 -0.0000000), wk = 0.0044444 k( 58) = ( 0.4655172 0.5000000 -0.0000000), wk = 0.0044444 k( 59) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0044444 k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 62) = ( 0.4878049 0.4878049 -0.0000000), wk = 0.0044444 k( 63) = ( 0.4756098 0.4756098 -0.0000000), wk = 0.0044444 k( 64) = ( 0.4634146 0.4634146 -0.0000000), wk = 0.0044444 k( 65) = ( 0.4512195 0.4512195 -0.0000000), wk = 0.0044444 k( 66) = ( 0.4390244 0.4390244 -0.0000000), wk = 0.0044444 k( 67) = ( 0.4268293 0.4268293 -0.0000000), wk = 0.0044444 k( 68) = ( 0.4146341 0.4146341 -0.0000000), wk = 0.0044444 k( 69) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0044444 k( 70) = ( 0.3902439 0.3902439 -0.0000000), wk = 0.0044444 k( 71) = ( 0.3780488 0.3780488 -0.0000000), wk = 0.0044444 k( 72) = ( 0.3658537 0.3658537 -0.0000000), wk = 0.0044444 k( 73) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0044444 k( 74) = ( 0.3414634 0.3414634 -0.0000000), wk = 0.0044444 k( 75) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0044444 k( 76) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0044444 k( 77) = ( 0.3048781 0.3048780 -0.0000000), wk = 0.0044444 k( 78) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0044444 k( 79) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0044444 k( 80) = ( 0.2682927 0.2682927 -0.0000000), wk = 0.0044444 k( 81) = ( 0.2560976 0.2560976 -0.0000000), wk = 0.0044444 k( 82) = ( 0.2439024 0.2439024 -0.0000000), wk = 0.0044444 k( 83) = ( 0.2317073 0.2317073 -0.0000000), wk = 0.0044444 k( 84) = ( 0.2195122 0.2195122 -0.0000000), wk = 0.0044444 k( 85) = ( 0.2073171 0.2073171 -0.0000000), wk = 0.0044444 k( 86) = ( 0.1951219 0.1951219 -0.0000000), wk = 0.0044444 k( 87) = ( 0.1829268 0.1829268 -0.0000000), wk = 0.0044444 k( 88) = ( 0.1707317 0.1707317 -0.0000000), wk = 0.0044444 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0044444 k( 90) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0044444 k( 91) = ( 0.1341463 0.1341463 -0.0000000), wk = 0.0044444 k( 92) = ( 0.1219512 0.1219512 -0.0000000), wk = 0.0044444 k( 93) = ( 0.1097561 0.1097561 -0.0000000), wk = 0.0044444 k( 94) = ( 0.0975610 0.0975610 -0.0000000), wk = 0.0044444 k( 95) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0044444 k( 96) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0044444 k( 97) = ( 0.0609756 0.0609756 -0.0000000), wk = 0.0044444 k( 98) = ( 0.0487805 0.0487805 -0.0000000), wk = 0.0044444 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0044444 k( 100) = ( 0.0243902 0.0243902 -0.0000000), wk = 0.0044444 k( 101) = ( 0.0121951 0.0121951 -0.0000000), wk = 0.0044444 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 104) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0044444 k( 105) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0044444 k( 106) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0044444 k( 107) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0044444 k( 108) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0044444 k( 109) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0044444 k( 110) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0044444 k( 111) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0044444 k( 112) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0044444 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0044444 k( 114) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0044444 k( 115) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0044444 k( 116) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0044444 k( 117) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0044444 k( 118) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0044444 k( 119) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0044444 k( 120) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0044444 k( 121) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0044444 k( 122) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0044444 k( 123) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0044444 k( 124) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0044444 k( 125) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0044444 k( 126) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0044444 k( 127) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0044444 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044444 k( 129) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0044444 k( 130) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0044444 k( 131) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0044444 k( 132) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0044444 k( 133) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0044444 k( 134) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0044444 k( 135) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0044444 k( 136) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0044444 k( 137) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0044444 k( 138) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0044444 k( 139) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0044444 k( 140) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0044444 k( 141) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0044444 k( 142) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0044444 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0044444 k( 144) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0044444 k( 145) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0044444 k( 146) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0044444 k( 147) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0044444 k( 148) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0044444 k( 149) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0044444 k( 150) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0044444 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0044444 k( 152) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0044444 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 155) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044444 k( 156) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044444 k( 157) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044444 k( 158) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044444 k( 159) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044444 k( 160) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044444 k( 161) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044444 k( 162) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044444 k( 163) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044444 k( 164) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044444 k( 165) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044444 k( 166) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044444 k( 167) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044444 k( 168) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044444 k( 169) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044444 k( 170) = ( 0.3048781 0.5000000 0.3048780), wk = 0.0044444 k( 171) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044444 k( 172) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044444 k( 173) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044444 k( 174) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044444 k( 175) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044444 k( 176) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044444 k( 177) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044444 k( 178) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044444 k( 179) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044444 k( 180) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044444 k( 181) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044444 k( 182) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044444 k( 183) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044444 k( 184) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044444 k( 185) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044444 k( 186) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044444 k( 187) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044444 k( 188) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044444 k( 189) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044444 k( 190) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044444 k( 191) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044444 k( 192) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044444 k( 193) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044444 k( 194) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044444 k( 195) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 196) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 197) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044444 k( 198) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044444 k( 199) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044444 k( 200) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044444 k( 201) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044444 k( 202) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044444 k( 203) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044444 k( 204) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044444 k( 205) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044444 k( 206) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044444 k( 207) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044444 k( 208) = ( 0.5000000 0.5000000 0.2068965), wk = 0.0044444 k( 209) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044444 k( 210) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044444 k( 211) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044444 k( 212) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044444 k( 213) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044444 k( 214) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044444 k( 215) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044444 k( 216) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044444 k( 217) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044444 k( 218) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044444 k( 219) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044444 k( 220) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044444 k( 221) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044444 k( 222) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044444 k( 223) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044444 k( 224) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044444 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 2) = ( 0.0000000 0.0172414 0.0000000), wk = 0.0044444 k( 3) = ( 0.0000000 0.0344828 0.0000000), wk = 0.0044444 k( 4) = ( 0.0000000 0.0517241 0.0000000), wk = 0.0044444 k( 5) = ( 0.0000000 0.0689655 0.0000000), wk = 0.0044444 k( 6) = ( 0.0000000 0.0862069 0.0000000), wk = 0.0044444 k( 7) = ( 0.0000000 0.1034483 0.0000000), wk = 0.0044444 k( 8) = ( 0.0000000 0.1206897 0.0000000), wk = 0.0044444 k( 9) = ( 0.0000000 0.1379310 0.0000000), wk = 0.0044444 k( 10) = ( 0.0000000 0.1551724 0.0000000), wk = 0.0044444 k( 11) = ( 0.0000000 0.1724138 0.0000000), wk = 0.0044444 k( 12) = ( 0.0000000 0.1896552 0.0000000), wk = 0.0044444 k( 13) = ( 0.0000000 0.2068966 0.0000000), wk = 0.0044444 k( 14) = ( 0.0000000 0.2241379 0.0000000), wk = 0.0044444 k( 15) = ( 0.0000000 0.2413793 0.0000000), wk = 0.0044444 k( 16) = ( 0.0000000 0.2586207 0.0000000), wk = 0.0044444 k( 17) = ( 0.0000000 0.2758621 0.0000000), wk = 0.0044444 k( 18) = ( 0.0000000 0.2931034 0.0000000), wk = 0.0044444 k( 19) = ( 0.0000000 0.3103448 0.0000000), wk = 0.0044444 k( 20) = ( 0.0000000 0.3275862 0.0000000), wk = 0.0044444 k( 21) = ( 0.0000000 0.3448276 0.0000000), wk = 0.0044444 k( 22) = ( 0.0000000 0.3620690 0.0000000), wk = 0.0044444 k( 23) = ( 0.0000000 0.3793103 0.0000000), wk = 0.0044444 k( 24) = ( 0.0000000 0.3965517 0.0000000), wk = 0.0044444 k( 25) = ( 0.0000000 0.4137931 0.0000000), wk = 0.0044444 k( 26) = ( 0.0000000 0.4310345 0.0000000), wk = 0.0044444 k( 27) = ( 0.0000000 0.4482759 0.0000000), wk = 0.0044444 k( 28) = ( 0.0000000 0.4655172 0.0000000), wk = 0.0044444 k( 29) = ( 0.0000000 0.4827586 0.0000000), wk = 0.0044444 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 32) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0044444 k( 33) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0044444 k( 34) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0044444 k( 35) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0044444 k( 36) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0044444 k( 37) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0044444 k( 38) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0044444 k( 39) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0044444 k( 40) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0044444 k( 41) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0044444 k( 42) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0044444 k( 43) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0044444 k( 44) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0044444 k( 45) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0044444 k( 46) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0044444 k( 47) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0044444 k( 48) = ( 0.2931034 0.5000000 0.0000000), wk = 0.0044444 k( 49) = ( 0.3103448 0.5000000 0.0000000), wk = 0.0044444 k( 50) = ( 0.3275862 0.5000000 0.0000000), wk = 0.0044444 k( 51) = ( 0.3448276 0.5000000 0.0000000), wk = 0.0044444 k( 52) = ( 0.3620690 0.5000000 0.0000000), wk = 0.0044444 k( 53) = ( 0.3793103 0.5000000 0.0000000), wk = 0.0044444 k( 54) = ( 0.3965517 0.5000000 0.0000000), wk = 0.0044444 k( 55) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0044444 k( 56) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0044444 k( 57) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0044444 k( 58) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0044444 k( 59) = ( 0.4827586 0.5000000 0.0000000), wk = 0.0044444 k( 60) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 61) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 62) = ( 0.4878049 0.4878049 0.0000000), wk = 0.0044444 k( 63) = ( 0.4756098 0.4756098 0.0000000), wk = 0.0044444 k( 64) = ( 0.4634146 0.4634146 0.0000000), wk = 0.0044444 k( 65) = ( 0.4512195 0.4512195 0.0000000), wk = 0.0044444 k( 66) = ( 0.4390244 0.4390244 0.0000000), wk = 0.0044444 k( 67) = ( 0.4268293 0.4268293 0.0000000), wk = 0.0044444 k( 68) = ( 0.4146341 0.4146341 0.0000000), wk = 0.0044444 k( 69) = ( 0.4024390 0.4024390 0.0000000), wk = 0.0044444 k( 70) = ( 0.3902439 0.3902439 0.0000000), wk = 0.0044444 k( 71) = ( 0.3780488 0.3780488 0.0000000), wk = 0.0044444 k( 72) = ( 0.3658537 0.3658537 0.0000000), wk = 0.0044444 k( 73) = ( 0.3536585 0.3536585 0.0000000), wk = 0.0044444 k( 74) = ( 0.3414634 0.3414634 0.0000000), wk = 0.0044444 k( 75) = ( 0.3292683 0.3292683 0.0000000), wk = 0.0044444 k( 76) = ( 0.3170732 0.3170732 0.0000000), wk = 0.0044444 k( 77) = ( 0.3048781 0.3048781 0.0000000), wk = 0.0044444 k( 78) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0044444 k( 79) = ( 0.2804878 0.2804878 0.0000000), wk = 0.0044444 k( 80) = ( 0.2682927 0.2682927 0.0000000), wk = 0.0044444 k( 81) = ( 0.2560976 0.2560976 0.0000000), wk = 0.0044444 k( 82) = ( 0.2439024 0.2439024 0.0000000), wk = 0.0044444 k( 83) = ( 0.2317073 0.2317073 0.0000000), wk = 0.0044444 k( 84) = ( 0.2195122 0.2195122 0.0000000), wk = 0.0044444 k( 85) = ( 0.2073171 0.2073171 0.0000000), wk = 0.0044444 k( 86) = ( 0.1951219 0.1951219 0.0000000), wk = 0.0044444 k( 87) = ( 0.1829268 0.1829268 0.0000000), wk = 0.0044444 k( 88) = ( 0.1707317 0.1707317 0.0000000), wk = 0.0044444 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0044444 k( 90) = ( 0.1463415 0.1463415 0.0000000), wk = 0.0044444 k( 91) = ( 0.1341463 0.1341463 0.0000000), wk = 0.0044444 k( 92) = ( 0.1219512 0.1219512 0.0000000), wk = 0.0044444 k( 93) = ( 0.1097561 0.1097561 0.0000000), wk = 0.0044444 k( 94) = ( 0.0975610 0.0975610 0.0000000), wk = 0.0044444 k( 95) = ( 0.0853658 0.0853658 0.0000000), wk = 0.0044444 k( 96) = ( 0.0731707 0.0731707 0.0000000), wk = 0.0044444 k( 97) = ( 0.0609756 0.0609756 0.0000000), wk = 0.0044444 k( 98) = ( 0.0487805 0.0487805 0.0000000), wk = 0.0044444 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0044444 k( 100) = ( 0.0243902 0.0243902 0.0000000), wk = 0.0044444 k( 101) = ( 0.0121951 0.0121951 0.0000000), wk = 0.0044444 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 104) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0044444 k( 105) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0044444 k( 106) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0044444 k( 107) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0044444 k( 108) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0044444 k( 109) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0044444 k( 110) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0044444 k( 111) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0044444 k( 112) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0044444 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0044444 k( 114) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0044444 k( 115) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0044444 k( 116) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0044444 k( 117) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0044444 k( 118) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0044444 k( 119) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0044444 k( 120) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0044444 k( 121) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0044444 k( 122) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0044444 k( 123) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0044444 k( 124) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0044444 k( 125) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0044444 k( 126) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0044444 k( 127) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0044444 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044444 k( 129) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0044444 k( 130) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0044444 k( 131) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0044444 k( 132) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0044444 k( 133) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0044444 k( 134) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0044444 k( 135) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0044444 k( 136) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0044444 k( 137) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0044444 k( 138) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0044444 k( 139) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0044444 k( 140) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0044444 k( 141) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0044444 k( 142) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0044444 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0044444 k( 144) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0044444 k( 145) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0044444 k( 146) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0044444 k( 147) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0044444 k( 148) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0044444 k( 149) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0044444 k( 150) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0044444 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0044444 k( 152) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0044444 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 155) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044444 k( 156) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044444 k( 157) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044444 k( 158) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044444 k( 159) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044444 k( 160) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044444 k( 161) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044444 k( 162) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044444 k( 163) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044444 k( 164) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044444 k( 165) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044444 k( 166) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044444 k( 167) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044444 k( 168) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044444 k( 169) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044444 k( 170) = ( 0.3048781 0.5000000 0.3048781), wk = 0.0044444 k( 171) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044444 k( 172) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044444 k( 173) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044444 k( 174) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044444 k( 175) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044444 k( 176) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044444 k( 177) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044444 k( 178) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044444 k( 179) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044444 k( 180) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044444 k( 181) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044444 k( 182) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044444 k( 183) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044444 k( 184) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044444 k( 185) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044444 k( 186) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044444 k( 187) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044444 k( 188) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044444 k( 189) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044444 k( 190) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044444 k( 191) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044444 k( 192) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044444 k( 193) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044444 k( 194) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044444 k( 195) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 196) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 197) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044444 k( 198) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044444 k( 199) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044444 k( 200) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044444 k( 201) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044444 k( 202) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044444 k( 203) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044444 k( 204) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044444 k( 205) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044444 k( 206) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044444 k( 207) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044444 k( 208) = ( 0.5000000 0.5000000 0.2068966), wk = 0.0044444 k( 209) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044444 k( 210) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044444 k( 211) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044444 k( 212) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044444 k( 213) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044444 k( 214) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044444 k( 215) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044444 k( 216) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044444 k( 217) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044444 k( 218) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044444 k( 219) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044444 k( 220) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044444 k( 221) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044444 k( 222) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044444 k( 223) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044444 k( 224) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044444 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 Dense grid: 82519 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 50301 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.35 Mb ( 276, 84) NL pseudopotentials 0.57 Mb ( 138, 272) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1722) G-vector shells 0.00 Mb ( 433) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.42 Mb ( 276, 336) Each subspace H/S matrix 1.72 Mb ( 336, 336) Each matrix 0.70 Mb ( 272, 2, 84) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./NbCu3S4.save/charge-density.dat Starting wfc are 112 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 48.0 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 58.2 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 68.5 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 78.5 secs Computing kpt #: 5 total cpu time spent up to now is 87.2 secs Computing kpt #: 6 total cpu time spent up to now is 94.1 secs Computing kpt #: 7 total cpu time spent up to now is 101.8 secs Computing kpt #: 8 total cpu time spent up to now is 108.0 secs Computing kpt #: 9 total cpu time spent up to now is 114.1 secs Computing kpt #: 10 total cpu time spent up to now is 119.8 secs Computing kpt #: 11 total cpu time spent up to now is 125.7 secs Computing kpt #: 12 total cpu time spent up to now is 131.5 secs Computing kpt #: 13 total cpu time spent up to now is 136.6 secs Computing kpt #: 14 total cpu time spent up to now is 141.6 secs Computing kpt #: 15 total cpu time spent up to now is 146.8 secs Computing kpt #: 16 total cpu time spent up to now is 152.1 secs Computing kpt #: 17 total cpu time spent up to now is 157.3 secs Computing kpt #: 18 total cpu time spent up to now is 162.3 secs Computing kpt #: 19 total cpu time spent up to now is 167.5 secs Computing kpt #: 20 total cpu time spent up to now is 172.7 secs Computing kpt #: 21 total cpu time spent up to now is 177.8 secs Computing kpt #: 22 total cpu time spent up to now is 183.1 secs Computing kpt #: 23 total cpu time spent up to now is 188.4 secs Computing kpt #: 24 total cpu time spent up to now is 193.8 secs Computing kpt #: 25 total cpu time spent up to now is 198.9 secs Computing kpt #: 26 total cpu time spent up to now is 204.0 secs Computing kpt #: 27 total cpu time spent up to now is 209.0 secs Computing kpt #: 28 total cpu time spent up to now is 214.0 secs Computing kpt #: 29 total cpu time spent up to now is 219.0 secs Computing kpt #: 30 total cpu time spent up to now is 224.1 secs Computing kpt #: 31 total cpu time spent up to now is 229.0 secs Computing kpt #: 32 total cpu time spent up to now is 234.1 secs Computing kpt #: 33 total cpu time spent up to now is 239.2 secs Computing kpt #: 34 total cpu time spent up to now is 244.4 secs Computing kpt #: 35 total cpu time spent up to now is 249.7 secs Computing kpt #: 36 total cpu time spent up to now is 255.0 secs Computing kpt #: 37 total cpu time spent up to now is 260.3 secs Computing kpt #: 38 total cpu time spent up to now is 265.6 secs Computing kpt #: 39 total cpu time spent up to now is 270.8 secs Computing kpt #: 40 total cpu time spent up to now is 275.9 secs Computing kpt #: 41 total cpu time spent up to now is 281.3 secs Computing kpt #: 42 total cpu time spent up to now is 286.4 secs Computing kpt #: 43 total cpu time spent up to now is 291.5 secs Computing kpt #: 44 total cpu time spent up to now is 296.6 secs Computing kpt #: 45 total cpu time spent up to now is 301.7 secs Computing kpt #: 46 total cpu time spent up to now is 306.7 secs Computing kpt #: 47 total cpu time spent up to now is 311.6 secs Computing kpt #: 48 total cpu time spent up to now is 316.4 secs Computing kpt #: 49 total cpu time spent up to now is 321.0 secs Computing kpt #: 50 total cpu time spent up to now is 325.9 secs Computing kpt #: 51 total cpu time spent up to now is 330.5 secs Computing kpt #: 52 total cpu time spent up to now is 335.0 secs Computing kpt #: 53 total cpu time spent up to now is 339.5 secs Computing kpt #: 54 total cpu time spent up to now is 344.0 secs Computing kpt #: 55 total cpu time spent up to now is 348.6 secs Computing kpt #: 56 total cpu time spent up to now is 353.2 secs Computing kpt #: 57 total cpu time spent up to now is 358.0 secs Computing kpt #: 58 total cpu time spent up to now is 362.9 secs Computing kpt #: 59 total cpu time spent up to now is 367.7 secs Computing kpt #: 60 total cpu time spent up to now is 372.3 secs Computing kpt #: 61 total cpu time spent up to now is 376.8 secs Computing kpt #: 62 total cpu time spent up to now is 381.8 secs Computing kpt #: 63 total cpu time spent up to now is 386.5 secs Computing kpt #: 64 total cpu time spent up to now is 391.2 secs Computing kpt #: 65 total cpu time spent up to now is 396.0 secs Computing kpt #: 66 total cpu time spent up to now is 402.2 secs Computing kpt #: 67 total cpu time spent up to now is 407.0 secs Computing kpt #: 68 total cpu time spent up to now is 411.6 secs Computing kpt #: 69 total cpu time spent up to now is 416.4 secs Computing kpt #: 70 total cpu time spent up to now is 421.1 secs Computing kpt #: 71 total cpu time spent up to now is 425.8 secs Computing kpt #: 72 total cpu time spent up to now is 430.5 secs Computing kpt #: 73 total cpu time spent up to now is 435.2 secs Computing kpt #: 74 total cpu time spent up to now is 440.1 secs Computing kpt #: 75 total cpu time spent up to now is 444.9 secs Computing kpt #: 76 total cpu time spent up to now is 450.0 secs Computing kpt #: 77 total cpu time spent up to now is 455.1 secs Computing kpt #: 78 total cpu time spent up to now is 460.5 secs Computing kpt #: 79 total cpu time spent up to now is 466.5 secs Computing kpt #: 80 total cpu time spent up to now is 472.1 secs Computing kpt #: 81 total cpu time spent up to now is 478.2 secs Computing kpt #: 82 total cpu time spent up to now is 484.7 secs Computing kpt #: 83 total cpu time spent up to now is 490.8 secs Computing kpt #: 84 total cpu time spent up to now is 496.2 secs Computing kpt #: 85 total cpu time spent up to now is 502.7 secs Computing kpt #: 86 total cpu time spent up to now is 508.9 secs Computing kpt #: 87 total cpu time spent up to now is 516.4 secs Computing kpt #: 88 total cpu time spent up to now is 522.5 secs Computing kpt #: 89 total cpu time spent up to now is 529.7 secs Computing kpt #: 90 total cpu time spent up to now is 538.2 secs Computing kpt #: 91 total cpu time spent up to now is 546.8 secs Computing kpt #: 92 total cpu time spent up to now is 555.2 secs Computing kpt #: 93 total cpu time spent up to now is 563.7 secs Computing kpt #: 94 total cpu time spent up to now is 572.3 secs Computing kpt #: 95 total cpu time spent up to now is 581.0 secs Computing kpt #: 96 total cpu time spent up to now is 590.7 secs Computing kpt #: 97 total cpu time spent up to now is 600.6 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 611.3 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 622.0 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 632.7 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 643.3 secs Computing kpt #: 102 total cpu time spent up to now is 648.3 secs Computing kpt #: 103 total cpu time spent up to now is 653.4 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 663.8 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 674.4 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 684.9 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 695.4 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 706.9 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 717.3 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 727.9 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 738.4 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 748.9 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 759.4 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 770.0 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 780.4 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 791.1 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 801.7 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 812.4 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 823.1 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 833.6 secs Computing kpt #: 121 total cpu time spent up to now is 839.6 secs Computing kpt #: 122 total cpu time spent up to now is 845.1 secs Computing kpt #: 123 total cpu time spent up to now is 851.2 secs Computing kpt #: 124 total cpu time spent up to now is 856.4 secs Computing kpt #: 125 total cpu time spent up to now is 861.9 secs Computing kpt #: 126 total cpu time spent up to now is 867.2 secs Computing kpt #: 127 total cpu time spent up to now is 872.6 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 883.1 secs Computing kpt #: 129 total cpu time spent up to now is 888.2 secs Computing kpt #: 130 total cpu time spent up to now is 893.3 secs Computing kpt #: 131 total cpu time spent up to now is 898.5 secs Computing kpt #: 132 total cpu time spent up to now is 903.5 secs Computing kpt #: 133 total cpu time spent up to now is 908.6 secs Computing kpt #: 134 total cpu time spent up to now is 913.8 secs Computing kpt #: 135 total cpu time spent up to now is 918.8 secs Computing kpt #: 136 total cpu time spent up to now is 923.8 secs Computing kpt #: 137 total cpu time spent up to now is 928.8 secs Computing kpt #: 138 total cpu time spent up to now is 933.7 secs Computing kpt #: 139 total cpu time spent up to now is 938.9 secs Computing kpt #: 140 total cpu time spent up to now is 943.8 secs Computing kpt #: 141 total cpu time spent up to now is 948.9 secs Computing kpt #: 142 total cpu time spent up to now is 953.9 secs Computing kpt #: 143 total cpu time spent up to now is 958.8 secs Computing kpt #: 144 total cpu time spent up to now is 963.8 secs Computing kpt #: 145 total cpu time spent up to now is 968.8 secs Computing kpt #: 146 total cpu time spent up to now is 973.8 secs Computing kpt #: 147 total cpu time spent up to now is 978.7 secs Computing kpt #: 148 total cpu time spent up to now is 983.6 secs Computing kpt #: 149 total cpu time spent up to now is 988.5 secs Computing kpt #: 150 total cpu time spent up to now is 993.2 secs Computing kpt #: 151 total cpu time spent up to now is 999.3 secs Computing kpt #: 152 total cpu time spent up to now is 1005.0 secs Computing kpt #: 153 total cpu time spent up to now is 1009.6 secs Computing kpt #: 154 total cpu time spent up to now is 1014.3 secs Computing kpt #: 155 total cpu time spent up to now is 1019.1 secs Computing kpt #: 156 total cpu time spent up to now is 1024.0 secs Computing kpt #: 157 total cpu time spent up to now is 1029.0 secs Computing kpt #: 158 total cpu time spent up to now is 1034.0 secs Computing kpt #: 159 total cpu time spent up to now is 1038.7 secs Computing kpt #: 160 total cpu time spent up to now is 1043.5 secs Computing kpt #: 161 total cpu time spent up to now is 1048.2 secs Computing kpt #: 162 total cpu time spent up to now is 1053.0 secs Computing kpt #: 163 total cpu time spent up to now is 1057.7 secs Computing kpt #: 164 total cpu time spent up to now is 1062.3 secs Computing kpt #: 165 total cpu time spent up to now is 1067.0 secs Computing kpt #: 166 total cpu time spent up to now is 1071.6 secs Computing kpt #: 167 total cpu time spent up to now is 1076.2 secs Computing kpt #: 168 total cpu time spent up to now is 1080.8 secs Computing kpt #: 169 total cpu time spent up to now is 1085.3 secs Computing kpt #: 170 total cpu time spent up to now is 1089.9 secs Computing kpt #: 171 total cpu time spent up to now is 1094.6 secs Computing kpt #: 172 total cpu time spent up to now is 1099.1 secs Computing kpt #: 173 total cpu time spent up to now is 1103.7 secs Computing kpt #: 174 total cpu time spent up to now is 1108.2 secs Computing kpt #: 175 total cpu time spent up to now is 1112.9 secs Computing kpt #: 176 total cpu time spent up to now is 1117.4 secs Computing kpt #: 177 total cpu time spent up to now is 1122.0 secs Computing kpt #: 178 total cpu time spent up to now is 1126.7 secs Computing kpt #: 179 total cpu time spent up to now is 1131.4 secs Computing kpt #: 180 total cpu time spent up to now is 1136.2 secs Computing kpt #: 181 total cpu time spent up to now is 1141.0 secs Computing kpt #: 182 total cpu time spent up to now is 1145.9 secs Computing kpt #: 183 total cpu time spent up to now is 1151.0 secs Computing kpt #: 184 total cpu time spent up to now is 1156.2 secs Computing kpt #: 185 total cpu time spent up to now is 1161.5 secs Computing kpt #: 186 total cpu time spent up to now is 1166.7 secs Computing kpt #: 187 total cpu time spent up to now is 1172.0 secs Computing kpt #: 188 total cpu time spent up to now is 1177.4 secs Computing kpt #: 189 total cpu time spent up to now is 1182.7 secs Computing kpt #: 190 total cpu time spent up to now is 1188.0 secs Computing kpt #: 191 total cpu time spent up to now is 1193.3 secs Computing kpt #: 192 total cpu time spent up to now is 1198.5 secs Computing kpt #: 193 total cpu time spent up to now is 1203.6 secs Computing kpt #: 194 total cpu time spent up to now is 1208.8 secs Computing kpt #: 195 total cpu time spent up to now is 1213.8 secs Computing kpt #: 196 total cpu time spent up to now is 1218.3 secs Computing kpt #: 197 total cpu time spent up to now is 1223.0 secs Computing kpt #: 198 total cpu time spent up to now is 1227.8 secs Computing kpt #: 199 total cpu time spent up to now is 1232.4 secs Computing kpt #: 200 total cpu time spent up to now is 1237.0 secs Computing kpt #: 201 total cpu time spent up to now is 1241.6 secs Computing kpt #: 202 total cpu time spent up to now is 1246.1 secs Computing kpt #: 203 total cpu time spent up to now is 1250.8 secs Computing kpt #: 204 total cpu time spent up to now is 1255.4 secs Computing kpt #: 205 total cpu time spent up to now is 1259.9 secs Computing kpt #: 206 total cpu time spent up to now is 1264.6 secs Computing kpt #: 207 total cpu time spent up to now is 1269.2 secs Computing kpt #: 208 total cpu time spent up to now is 1273.9 secs Computing kpt #: 209 total cpu time spent up to now is 1278.7 secs Computing kpt #: 210 total cpu time spent up to now is 1283.4 secs Computing kpt #: 211 total cpu time spent up to now is 1288.2 secs Computing kpt #: 212 total cpu time spent up to now is 1293.1 secs Computing kpt #: 213 total cpu time spent up to now is 1298.9 secs Computing kpt #: 214 total cpu time spent up to now is 1305.1 secs Computing kpt #: 215 total cpu time spent up to now is 1310.0 secs Computing kpt #: 216 total cpu time spent up to now is 1315.0 secs Computing kpt #: 217 total cpu time spent up to now is 1319.8 secs Computing kpt #: 218 total cpu time spent up to now is 1324.6 secs Computing kpt #: 219 total cpu time spent up to now is 1329.4 secs Computing kpt #: 220 total cpu time spent up to now is 1334.3 secs Computing kpt #: 221 total cpu time spent up to now is 1339.2 secs Computing kpt #: 222 total cpu time spent up to now is 1344.1 secs Computing kpt #: 223 total cpu time spent up to now is 1348.8 secs Computing kpt #: 224 total cpu time spent up to now is 1353.5 secs Computing kpt #: 225 total cpu time spent up to now is 1358.1 secs ethr = 1.43E-11, avg # of iterations = 43.4 total cpu time spent up to now is 1358.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -48.6183 -48.6183 -26.2757 -26.2757 -24.2030 -24.2030 -24.2030 -24.2030 -7.1056 -7.1056 -6.0806 -6.0806 -6.0441 -6.0441 -6.0441 -6.0441 0.5750 0.5750 0.5750 0.5750 1.6202 1.6202 2.2108 2.2108 2.2108 2.2108 2.2409 2.2409 2.8971 2.8971 2.9356 2.9356 2.9356 2.9356 3.4961 3.4961 3.5193 3.5193 3.5193 3.5193 3.5679 3.5679 3.5679 3.5679 4.2635 4.2635 4.3645 4.3645 4.3645 4.3645 4.4642 4.4642 4.4642 4.4642 4.5148 4.5148 4.8437 4.8437 4.9698 4.9698 4.9698 4.9698 5.0371 5.0371 5.9510 5.9510 5.9510 5.9510 6.0396 6.0396 8.3559 8.3559 8.3612 8.3612 8.3612 8.3612 8.4212 8.4212 8.4212 8.4212 8.5174 8.5174 12.1446 12.1446 k = 0.0000 0.0172-0.0000 ( 6319 PWs) bands (ev): -48.6181 -48.6181 -26.2757 -26.2757 -24.2030 -24.2030 -24.2030 -24.2030 -7.1050 -7.1050 -6.0808 -6.0808 -6.0446 -6.0446 -6.0441 -6.0441 0.5756 0.5756 0.5763 0.5763 1.6209 1.6209 2.2100 2.2100 2.2116 2.2116 2.2409 2.2409 2.8964 2.8964 2.9342 2.9342 2.9356 2.9356 3.4934 3.4934 3.5138 3.5138 3.5197 3.5197 3.5673 3.5673 3.5769 3.5769 4.2628 4.2628 4.3570 4.3570 4.3717 4.3717 4.4594 4.4594 4.4691 4.4691 4.5146 4.5146 4.8438 4.8438 4.9664 4.9664 4.9729 4.9729 5.0369 5.0369 5.9488 5.9488 5.9510 5.9510 6.0385 6.0385 8.3478 8.3478 8.3606 8.3606 8.3660 8.3660 8.4156 8.4156 8.4246 8.4246 8.5320 8.5320 12.1422 12.1424 k = 0.0000 0.0345-0.0000 ( 6311 PWs) bands (ev): -48.6180 -48.6180 -26.2757 -26.2757 -24.2031 -24.2031 -24.2030 -24.2030 -7.1031 -7.1031 -6.0816 -6.0816 -6.0461 -6.0461 -6.0441 -6.0441 0.5775 0.5775 0.5801 0.5801 1.6230 1.6230 2.2076 2.2076 2.2127 2.2127 2.2406 2.2406 2.8943 2.8943 2.9308 2.9308 2.9349 2.9349 3.4823 3.4823 3.5076 3.5076 3.5199 3.5199 3.5689 3.5689 3.5937 3.5937 4.2608 4.2608 4.3491 4.3491 4.3777 4.3777 4.4545 4.4545 4.4740 4.4740 4.5142 4.5142 4.8442 4.8442 4.9626 4.9626 4.9757 4.9757 5.0366 5.0366 5.9429 5.9429 5.9499 5.9499 6.0350 6.0350 8.3285 8.3285 8.3644 8.3644 8.3705 8.3705 8.4124 8.4124 8.4283 8.4283 8.5673 8.5673 12.1352 12.1352 k = 0.0000 0.0517-0.0000 ( 6315 PWs) bands (ev): -48.6181 -48.6181 -26.2757 -26.2757 -24.2031 -24.2031 -24.2030 -24.2030 -7.1000 -7.1000 -6.0830 -6.0830 -6.0483 -6.0483 -6.0441 -6.0441 0.5806 0.5806 0.5865 0.5865 1.6264 1.6264 2.2031 2.2031 2.2145 2.2145 2.2405 2.2405 2.8902 2.8902 2.9257 2.9257 2.9337 2.9337 3.4637 3.4637 3.5055 3.5055 3.5201 3.5201 3.5716 3.5716 3.6135 3.6135 4.2574 4.2574 4.3413 4.3413 4.3820 4.3820 4.4500 4.4500 4.4787 4.4787 4.5136 4.5136 4.8446 4.8446 4.9580 4.9580 4.9786 4.9786 5.0361 5.0361 5.9329 5.9329 5.9481 5.9481 6.0297 6.0297 8.3035 8.3035 8.3705 8.3705 8.3759 8.3759 8.4151 8.4151 8.4337 8.4337 8.6138 8.6138 12.1238 12.1238 k = 0.0000 0.0690-0.0000 ( 6315 PWs) bands (ev): -48.6181 -48.6181 -26.2757 -26.2757 -24.2031 -24.2031 -24.2030 -24.2030 -7.0956 -7.0956 -6.0854 -6.0854 -6.0511 -6.0511 -6.0442 -6.0442 0.5850 0.5850 0.5954 0.5954 1.6313 1.6313 2.1962 2.1962 2.2169 2.2169 2.2413 2.2413 2.8835 2.8835 2.9198 2.9198 2.9321 2.9321 3.4421 3.4421 3.5048 3.5048 3.5204 3.5204 3.5752 3.5752 3.6345 3.6345 4.2524 4.2524 4.3340 4.3340 4.3840 4.3840 4.4461 4.4461 4.4832 4.4832 4.5131 4.5131 4.8450 4.8450 4.9529 4.9529 4.9815 4.9815 5.0355 5.0355 5.9187 5.9187 5.9456 5.9456 6.0230 6.0230 8.2765 8.2765 8.3781 8.3781 8.3834 8.3834 8.4223 8.4223 8.4411 8.4411 8.6674 8.6674 12.1084 12.1084 k = 0.0000 0.0862-0.0000 ( 6295 PWs) bands (ev): -48.6179 -48.6179 -26.2758 -26.2758 -24.2032 -24.2032 -24.2030 -24.2030 -7.0901 -7.0901 -6.0890 -6.0890 -6.0541 -6.0541 -6.0442 -6.0442 0.5906 0.5906 0.6067 0.6067 1.6375 1.6375 2.1867 2.1867 2.2200 2.2200 2.2430 2.2430 2.8735 2.8735 2.9140 2.9140 2.9301 2.9301 3.4187 3.4187 3.5047 3.5047 3.5209 3.5209 3.5797 3.5797 3.6562 3.6562 4.2459 4.2459 4.3274 4.3274 4.3834 4.3834 4.4432 4.4432 4.4872 4.4872 4.5132 4.5132 4.8451 4.8451 4.9470 4.9470 4.9846 4.9846 5.0348 5.0348 5.9003 5.9003 5.9425 5.9425 6.0156 6.0156 8.2496 8.2496 8.3861 8.3861 8.3938 8.3938 8.4328 8.4328 8.4506 8.4506 8.7268 8.7268 12.0894 12.0894 k = 0.0000 0.1034-0.0000 ( 6299 PWs) bands (ev): -48.6180 -48.6180 -26.2758 -26.2758 -24.2033 -24.2033 -24.2030 -24.2030 -7.0833 -7.0833 -6.0941 -6.0941 -6.0569 -6.0569 -6.0442 -6.0442 0.5974 0.5974 0.6205 0.6205 1.6451 1.6451 2.1745 2.1745 2.2237 2.2237 2.2457 2.2457 2.8598 2.8598 2.9087 2.9087 2.9276 2.9276 3.3940 3.3940 3.5047 3.5047 3.5215 3.5215 3.5848 3.5848 3.6784 3.6784 4.2380 4.2380 4.3216 4.3216 4.3798 4.3798 4.4415 4.4415 4.4902 4.4902 4.5143 4.5143 4.8447 4.8447 4.9404 4.9404 4.9881 4.9881 5.0341 5.0341 5.8779 5.8779 5.9388 5.9388 6.0076 6.0076 8.2235 8.2235 8.3944 8.3944 8.4069 8.4069 8.4460 8.4460 8.4623 8.4623 8.7912 8.7912 12.0675 12.0675 k = 0.0000 0.1207-0.0000 ( 6299 PWs) bands (ev): -48.6180 -48.6180 -26.2758 -26.2758 -24.2034 -24.2034 -24.2030 -24.2030 -7.0754 -7.0754 -6.1011 -6.1011 -6.0592 -6.0592 -6.0442 -6.0442 0.6052 0.6052 0.6367 0.6367 1.6542 1.6542 2.1598 2.1598 2.2280 2.2280 2.2492 2.2492 2.8427 2.8427 2.9041 2.9041 2.9247 2.9247 3.3681 3.3681 3.5049 3.5049 3.5222 3.5222 3.5905 3.5905 3.7010 3.7010 4.2288 4.2288 4.3165 4.3165 4.3734 4.3734 4.4408 4.4408 4.4919 4.4919 4.5168 4.5168 4.8436 4.8436 4.9333 4.9333 4.9919 4.9919 5.0334 5.0334 5.8518 5.8518 5.9347 5.9347 5.9994 5.9994 8.1985 8.1985 8.4031 8.4031 8.4221 8.4221 8.4614 8.4614 8.4761 8.4761 8.8602 8.8602 12.0431 12.0431 k = 0.0000 0.1379-0.0000 ( 6291 PWs) bands (ev): -48.6179 -48.6179 -26.2759 -26.2759 -24.2035 -24.2035 -24.2030 -24.2030 -7.0663 -7.0663 -6.1098 -6.1098 -6.0611 -6.0611 -6.0443 -6.0443 0.6142 0.6142 0.6552 0.6552 1.6646 1.6646 2.1430 2.1430 2.2329 2.2329 2.2535 2.2535 2.8228 2.8228 2.8997 2.8997 2.9215 2.9215 3.3409 3.3409 3.5051 3.5051 3.5231 3.5231 3.5967 3.5967 3.7240 3.7240 4.2186 4.2186 4.3121 4.3121 4.3651 4.3651 4.4406 4.4406 4.4923 4.4923 4.5206 4.5206 4.8418 4.8418 4.9256 4.9256 4.9959 4.9959 5.0330 5.0330 5.8226 5.8226 5.9303 5.9303 5.9911 5.9911 8.1746 8.1746 8.4121 8.4121 8.4390 8.4390 8.4787 8.4787 8.4919 8.4919 8.9333 8.9333 12.0170 12.0170 k = 0.0000 0.1552-0.0000 ( 6291 PWs) bands (ev): -48.6179 -48.6179 -26.2759 -26.2759 -24.2036 -24.2036 -24.2030 -24.2030 -7.0561 -7.0561 -6.1204 -6.1204 -6.0624 -6.0624 -6.0443 -6.0443 0.6242 0.6242 0.6759 0.6759 1.6763 1.6763 2.1241 2.1241 2.2383 2.2383 2.2584 2.2584 2.8006 2.8006 2.8954 2.8954 2.9180 2.9180 3.3123 3.3123 3.5054 3.5054 3.5241 3.5241 3.6032 3.6032 3.7474 3.7474 4.2078 4.2078 4.3081 4.3081 4.3552 4.3552 4.4405 4.4405 4.4918 4.4918 4.5249 4.5249 4.8392 4.8392 4.9175 4.9175 5.0001 5.0001 5.0329 5.0329 5.7911 5.7911 5.9255 5.9255 5.9827 5.9827 8.1519 8.1519 8.4214 8.4214 8.4573 8.4573 8.4974 8.4974 8.5095 8.5095 9.0101 9.0101 11.9897 11.9897 k = 0.0000 0.1724-0.0000 ( 6307 PWs) bands (ev): -48.6180 -48.6180 -26.2759 -26.2759 -24.2037 -24.2037 -24.2030 -24.2030 -7.0448 -7.0448 -6.1325 -6.1325 -6.0634 -6.0634 -6.0443 -6.0443 0.6351 0.6351 0.6987 0.6987 1.6894 1.6894 2.1033 2.1033 2.2442 2.2442 2.2638 2.2638 2.7763 2.7763 2.8910 2.8910 2.9142 2.9142 3.2822 3.2822 3.5057 3.5057 3.5252 3.5252 3.6099 3.6099 3.7711 3.7711 4.1964 4.1964 4.3043 4.3043 4.3444 4.3444 4.4401 4.4401 4.4907 4.4907 4.5294 4.5294 4.8359 4.8359 4.9091 4.9091 5.0043 5.0043 5.0333 5.0333 5.7576 5.7576 5.9205 5.9205 5.9743 5.9743 8.1303 8.1303 8.4308 8.4308 8.4767 8.4767 8.5175 8.5175 8.5287 8.5287 9.0903 9.0903 11.9617 11.9617 k = 0.0000 0.1897-0.0000 ( 6303 PWs) bands (ev): -48.6180 -48.6180 -26.2760 -26.2760 -24.2039 -24.2039 -24.2030 -24.2030 -7.0325 -7.0325 -6.1459 -6.1459 -6.0641 -6.0641 -6.0444 -6.0444 0.6468 0.6468 0.7237 0.7237 1.7038 1.7038 2.0810 2.0810 2.2505 2.2505 2.2697 2.2697 2.7505 2.7505 2.8866 2.8866 2.9101 2.9101 3.2507 3.2507 3.5062 3.5062 3.5265 3.5265 3.6167 3.6167 3.7952 3.7952 4.1850 4.1850 4.3007 4.3007 4.3331 4.3331 4.4394 4.4394 4.4895 4.4895 4.5336 4.5336 4.8318 4.8318 4.9005 4.9005 5.0082 5.0082 5.0345 5.0345 5.7229 5.7229 5.9154 5.9154 5.9659 5.9659 8.1098 8.1098 8.4403 8.4403 8.4968 8.4968 8.5386 8.5386 8.5491 8.5491 9.1735 9.1735 11.9336 11.9336 k = 0.0000 0.2069-0.0000 ( 6315 PWs) bands (ev): -48.6180 -48.6180 -26.2760 -26.2760 -24.2040 -24.2040 -24.2030 -24.2030 -7.0193 -7.0193 -6.1607 -6.1607 -6.0646 -6.0646 -6.0444 -6.0444 0.6594 0.6594 0.7505 0.7505 1.7193 1.7193 2.0572 2.0572 2.2572 2.2572 2.2760 2.2760 2.7235 2.7235 2.8821 2.8821 2.9058 2.9058 3.2176 3.2176 3.5066 3.5066 3.5278 3.5278 3.6236 3.6236 3.8196 3.8196 4.1735 4.1735 4.2970 4.2970 4.3215 4.3215 4.4381 4.4381 4.4879 4.4879 4.5371 4.5371 4.8272 4.8272 4.8919 4.8919 5.0118 5.0118 5.0365 5.0365 5.6873 5.6873 5.9103 5.9103 5.9578 5.9578 8.0902 8.0902 8.4497 8.4497 8.5174 8.5174 8.5604 8.5604 8.5703 8.5703 9.2591 9.2591 11.9058 11.9058 k = 0.0000 0.2241-0.0000 ( 6307 PWs) bands (ev): -48.6180 -48.6180 -26.2761 -26.2761 -24.2041 -24.2041 -24.2030 -24.2030 -7.0052 -7.0052 -6.1765 -6.1765 -6.0649 -6.0649 -6.0445 -6.0445 0.6726 0.6726 0.7792 0.7792 1.7358 1.7358 2.0325 2.0325 2.2642 2.2642 2.2826 2.2826 2.6956 2.6956 2.8775 2.8775 2.9013 2.9013 3.1830 3.1830 3.5071 3.5071 3.5292 3.5292 3.6305 3.6305 3.8442 3.8442 4.1623 4.1623 4.2932 4.2932 4.3101 4.3101 4.4363 4.4363 4.4864 4.4864 4.5398 4.5398 4.8222 4.8222 4.8835 4.8835 5.0150 5.0150 5.0396 5.0396 5.6513 5.6513 5.9051 5.9051 5.9498 5.9498 8.0717 8.0717 8.4590 8.4590 8.5383 8.5383 8.5827 8.5827 8.5921 8.5921 9.3467 9.3467 11.8786 11.8786 k = 0.0000 0.2414-0.0000 ( 6311 PWs) bands (ev): -48.6180 -48.6180 -26.2761 -26.2761 -24.2043 -24.2043 -24.2030 -24.2030 -6.9902 -6.9902 -6.1933 -6.1933 -6.0652 -6.0652 -6.0445 -6.0445 0.6863 0.6863 0.8097 0.8097 1.7527 1.7527 2.0073 2.0073 2.2714 2.2714 2.2894 2.2894 2.6670 2.6670 2.8728 2.8728 2.8967 2.8967 3.1469 3.1469 3.5076 3.5076 3.5308 3.5308 3.6373 3.6373 3.8691 3.8691 4.1513 4.1513 4.2886 4.2886 4.2995 4.2995 4.4339 4.4339 4.4848 4.4848 4.5412 4.5412 4.8169 4.8169 4.8751 4.8751 5.0179 5.0179 5.0434 5.0434 5.6154 5.6154 5.9000 5.9000 5.9421 5.9421 8.0543 8.0543 8.4683 8.4683 8.5592 8.5592 8.6052 8.6052 8.6141 8.6141 9.4358 9.4358 11.8522 11.8522 k = 0.0000 0.2586-0.0000 ( 6311 PWs) bands (ev): -48.6180 -48.6180 -26.2762 -26.2762 -24.2044 -24.2044 -24.2031 -24.2031 -6.9744 -6.9744 -6.2110 -6.2110 -6.0654 -6.0654 -6.0446 -6.0446 0.7004 0.7004 0.8417 0.8417 1.7694 1.7694 1.9824 1.9824 2.2788 2.2788 2.2963 2.2963 2.6381 2.6381 2.8681 2.8681 2.8920 2.8920 3.1094 3.1094 3.5082 3.5082 3.5323 3.5323 3.6438 3.6438 3.8942 3.8942 4.1408 4.1408 4.2819 4.2819 4.2912 4.2912 4.4309 4.4309 4.4832 4.4832 4.5413 4.5413 4.8115 4.8115 4.8671 4.8671 5.0209 5.0209 5.0478 5.0478 5.5798 5.5798 5.8950 5.8950 5.9347 5.9347 8.0378 8.0378 8.4773 8.4773 8.5799 8.5799 8.6276 8.6276 8.6360 8.6360 9.5259 9.5259 11.8268 11.8268 k = 0.0000 0.2759-0.0000 ( 6307 PWs) bands (ev): -48.6180 -48.6180 -26.2762 -26.2762 -24.2045 -24.2045 -24.2030 -24.2030 -6.9580 -6.9580 -6.2293 -6.2293 -6.0655 -6.0655 -6.0446 -6.0446 0.7148 0.7148 0.8751 0.8751 1.7842 1.7842 1.9597 1.9597 2.2862 2.2862 2.3034 2.3034 2.6093 2.6093 2.8633 2.8633 2.8873 2.8873 3.0707 3.0707 3.5088 3.5088 3.5340 3.5340 3.6502 3.6502 3.9194 3.9194 4.1309 4.1309 4.2727 4.2727 4.2857 4.2857 4.4274 4.4274 4.4815 4.4815 4.5399 4.5399 4.8061 4.8061 4.8594 4.8594 5.0242 5.0242 5.0525 5.0525 5.5450 5.5450 5.8902 5.8902 5.9278 5.9278 8.0224 8.0224 8.4860 8.4860 8.6001 8.6001 8.6496 8.6496 8.6574 8.6574 9.6164 9.6164 11.8026 11.8026 k = 0.0000 0.2931-0.0000 ( 6295 PWs) bands (ev): -48.6179 -48.6179 -26.2763 -26.2763 -24.2047 -24.2047 -24.2030 -24.2030 -6.9411 -6.9411 -6.2482 -6.2482 -6.0656 -6.0656 -6.0447 -6.0447 0.7293 0.7293 0.9099 0.9099 1.7940 1.7940 1.9422 1.9422 2.2936 2.2936 2.3104 2.3104 2.5808 2.5808 2.8586 2.8586 2.8826 2.8826 3.0308 3.0308 3.5095 3.5095 3.5356 3.5356 3.6563 3.6563 3.9447 3.9447 4.1216 4.1216 4.2629 4.2629 4.2813 4.2813 4.4232 4.4232 4.4799 4.4799 4.5369 4.5369 4.8009 4.8009 4.8522 4.8522 5.0282 5.0282 5.0574 5.0574 5.5111 5.5111 5.8856 5.8856 5.9214 5.9214 8.0081 8.0081 8.4945 8.4945 8.6196 8.6196 8.6710 8.6710 8.6782 8.6782 9.7067 9.7067 11.7796 11.7796 k = 0.0000 0.3103-0.0000 ( 6303 PWs) bands (ev): -48.6179 -48.6179 -26.2763 -26.2763 -24.2048 -24.2048 -24.2031 -24.2031 -6.9237 -6.9237 -6.2675 -6.2675 -6.0656 -6.0656 -6.0447 -6.0447 0.7438 0.7438 0.9457 0.9457 1.7940 1.7940 1.9348 1.9348 2.3009 2.3009 2.3173 2.3173 2.5529 2.5529 2.8538 2.8538 2.8780 2.8780 2.9901 2.9901 3.5101 3.5101 3.5373 3.5373 3.6621 3.6621 3.9699 3.9699 4.1129 4.1129 4.2532 4.2532 4.2772 4.2772 4.4185 4.4185 4.4783 4.4783 4.5324 4.5324 4.7959 4.7959 4.8453 4.8453 5.0327 5.0327 5.0624 5.0624 5.4782 5.4782 5.8812 5.8812 5.9154 5.9154 7.9948 7.9948 8.5025 8.5025 8.6383 8.6383 8.6915 8.6915 8.6981 8.6981 9.7962 9.7962 11.7580 11.7580 k = 0.0000 0.3276-0.0000 ( 6311 PWs) bands (ev): -48.6180 -48.6180 -26.2764 -26.2764 -24.2049 -24.2049 -24.2031 -24.2031 -6.9061 -6.9061 -6.2870 -6.2870 -6.0656 -6.0656 -6.0448 -6.0448 0.7580 0.7580 0.9825 0.9825 1.7815 1.7815 1.9401 1.9401 2.3081 2.3081 2.3240 2.3240 2.5260 2.5260 2.8491 2.8491 2.8735 2.8735 2.9489 2.9489 3.5108 3.5108 3.5389 3.5389 3.6675 3.6675 3.9949 3.9949 4.1049 4.1049 4.2441 4.2441 4.2732 4.2732 4.4134 4.4134 4.4766 4.4766 4.5264 4.5264 4.7912 4.7912 4.8389 4.8389 5.0380 5.0380 5.0674 5.0674 5.4466 5.4466 5.8771 5.8771 5.9101 5.9101 7.9826 7.9826 8.5101 8.5101 8.6560 8.6560 8.7108 8.7108 8.7169 8.7169 9.8840 9.8840 11.7375 11.7375 k = 0.0000 0.3448-0.0000 ( 6311 PWs) bands (ev): -48.6180 -48.6180 -26.2764 -26.2764 -24.2051 -24.2051 -24.2031 -24.2031 -6.8883 -6.8883 -6.3065 -6.3065 -6.0656 -6.0656 -6.0448 -6.0448 0.7717 0.7717 1.0200 1.0200 1.7591 1.7591 1.9557 1.9557 2.3149 2.3149 2.3304 2.3304 2.5004 2.5004 2.8441 2.8441 2.8691 2.8691 2.9079 2.9079 3.5114 3.5114 3.5406 3.5406 3.6725 3.6725 4.0197 4.0197 4.0976 4.0976 4.2357 4.2357 4.2693 4.2693 4.4078 4.4078 4.4751 4.4751 4.5191 4.5191 4.7868 4.7868 4.8330 4.8330 5.0439 5.0439 5.0727 5.0727 5.4164 5.4164 5.8732 5.8732 5.9053 5.9053 7.9715 7.9715 8.5173 8.5173 8.6724 8.6724 8.7288 8.7288 8.7345 8.7345 9.9695 9.9695 11.7183 11.7183 k = 0.0000 0.3621-0.0000 ( 6311 PWs) bands (ev): -48.6180 -48.6180 -26.2765 -26.2765 -24.2052 -24.2052 -24.2031 -24.2031 -6.8707 -6.8707 -6.3258 -6.3258 -6.0656 -6.0656 -6.0449 -6.0449 0.7848 0.7848 1.0581 1.0581 1.7307 1.7307 1.9773 1.9773 2.3214 2.3214 2.3365 2.3365 2.4764 2.4764 2.8374 2.8374 2.8633 2.8633 2.8707 2.8707 3.5121 3.5121 3.5421 3.5421 3.6771 3.6771 4.0439 4.0439 4.0912 4.0912 4.2279 4.2279 4.2656 4.2656 4.4019 4.4019 4.4735 4.4735 4.5107 4.5107 4.7829 4.7829 4.8276 4.8276 5.0502 5.0502 5.0783 5.0783 5.3877 5.3877 5.8697 5.8697 5.9010 5.9010 7.9615 7.9615 8.5238 8.5238 8.6876 8.6876 8.7453 8.7453 8.7506 8.7506 10.0516 10.0516 11.7002 11.7002 k = 0.0000 0.3793-0.0000 ( 6311 PWs) bands (ev): -48.6180 -48.6180 -26.2765 -26.2765 -24.2053 -24.2053 -24.2031 -24.2031 -6.8535 -6.8535 -6.3445 -6.3445 -6.0656 -6.0656 -6.0449 -6.0449 0.7970 0.7970 1.0964 1.0964 1.6990 1.6990 2.0021 2.0021 2.3273 2.3273 2.3420 2.3420 2.4544 2.4544 2.8168 2.8168 2.8442 2.8442 2.8620 2.8620 3.5127 3.5127 3.5435 3.5435 3.6812 3.6812 4.0671 4.0671 4.0858 4.0858 4.2210 4.2210 4.2621 4.2621 4.3956 4.3956 4.4721 4.4721 4.5016 4.5016 4.7794 4.7794 4.8228 4.8228 5.0564 5.0564 5.0847 5.0847 5.3605 5.3605 5.8666 5.8666 5.8973 5.8973 7.9527 7.9527 8.5298 8.5298 8.7012 8.7012 8.7601 8.7601 8.7652 8.7652 10.1293 10.1293 11.6832 11.6832 k = 0.0000 0.3966-0.0000 ( 6311 PWs) bands (ev): -48.6180 -48.6180 -26.2765 -26.2765 -24.2054 -24.2054 -24.2031 -24.2031 -6.8371 -6.8371 -6.3623 -6.3623 -6.0656 -6.0656 -6.0449 -6.0449 0.8081 0.8081 1.1346 1.1346 1.6657 1.6657 2.0283 2.0283 2.3328 2.3328 2.3471 2.3471 2.4345 2.4345 2.7807 2.7807 2.8375 2.8375 2.8585 2.8585 3.5132 3.5132 3.5449 3.5449 3.6849 3.6849 4.0788 4.0788 4.0919 4.0919 4.2149 4.2149 4.2589 4.2589 4.3891 4.3891 4.4705 4.4705 4.4924 4.4924 4.7764 4.7764 4.8185 4.8185 5.0620 5.0620 5.0922 5.0922 5.3350 5.3350 5.8638 5.8638 5.8941 5.8941 7.9450 7.9450 8.5351 8.5351 8.7133 8.7133 8.7731 8.7731 8.7781 8.7781 10.2014 10.2014 11.6672 11.6672 k = 0.0000 0.4138-0.0000 ( 6307 PWs) bands (ev): -48.6179 -48.6179 -26.2766 -26.2766 -24.2054 -24.2054 -24.2031 -24.2031 -6.8217 -6.8217 -6.3788 -6.3788 -6.0656 -6.0656 -6.0450 -6.0450 0.8179 0.8179 1.1723 1.1723 1.6317 1.6317 2.0545 2.0545 2.3375 2.3375 2.3515 2.3515 2.4172 2.4172 2.7442 2.7442 2.8338 2.8338 2.8555 2.8555 3.5137 3.5137 3.5460 3.5460 3.6881 3.6881 4.0753 4.0753 4.1125 4.1125 4.2096 4.2096 4.2560 4.2560 4.3825 4.3825 4.4686 4.4686 4.4838 4.4838 4.7738 4.7738 4.8149 4.8149 5.0667 5.0667 5.1009 5.1009 5.3112 5.3112 5.8614 5.8614 5.8915 5.8915 7.9385 7.9385 8.5397 8.5397 8.7237 8.7237 8.7841 8.7841 8.7892 8.7892 10.2665 10.2665 11.6524 11.6524 k = 0.0000 0.4310-0.0000 ( 6311 PWs) bands (ev): -48.6180 -48.6180 -26.2766 -26.2766 -24.2055 -24.2055 -24.2031 -24.2031 -6.8080 -6.8080 -6.3936 -6.3936 -6.0656 -6.0656 -6.0450 -6.0450 0.8262 0.8262 1.2089 1.2089 1.5980 1.5980 2.0794 2.0794 2.3415 2.3415 2.3552 2.3552 2.4027 2.4027 2.7106 2.7106 2.8310 2.8310 2.8530 2.8530 3.5141 3.5141 3.5470 3.5470 3.6907 3.6907 4.0719 4.0719 4.1320 4.1320 4.2052 4.2052 4.2536 4.2536 4.3757 4.3757 4.4657 4.4657 4.4770 4.4770 4.7717 4.7717 4.8118 4.8118 5.0703 5.0703 5.1107 5.1107 5.2894 5.2894 5.8594 5.8594 5.8894 5.8894 7.9331 7.9331 8.5435 8.5435 8.7323 8.7323 8.7933 8.7933 8.7984 8.7984 10.3231 10.3231 11.6388 11.6388 k = 0.0000 0.4483-0.0000 ( 6327 PWs) bands (ev): -48.6180 -48.6180 -26.2766 -26.2766 -24.2056 -24.2056 -24.2031 -24.2031 -6.7964 -6.7964 -6.4059 -6.4059 -6.0656 -6.0656 -6.0450 -6.0450 0.8329 0.8329 1.2430 1.2430 1.5660 1.5660 2.1015 2.1015 2.3446 2.3446 2.3580 2.3580 2.3912 2.3912 2.6815 2.6815 2.8288 2.8288 2.8509 2.8509 3.5145 3.5145 3.5478 3.5478 3.6927 3.6927 4.0692 4.0692 4.1490 4.1490 4.2016 4.2016 4.2517 4.2517 4.3692 4.3692 4.4612 4.4612 4.4733 4.4733 4.7700 4.7700 4.8094 4.8094 5.0730 5.0730 5.1210 5.1210 5.2702 5.2702 5.8578 5.8578 5.8877 5.8877 7.9290 7.9290 8.5465 8.5465 8.7390 8.7390 8.8004 8.8004 8.8057 8.8057 10.3695 10.3695 11.6272 11.6272 k = 0.0000 0.4655-0.0000 ( 6342 PWs) bands (ev): -48.6181 -48.6181 -26.2766 -26.2766 -24.2056 -24.2056 -24.2031 -24.2031 -6.7875 -6.7875 -6.4153 -6.4153 -6.0656 -6.0656 -6.0450 -6.0450 0.8378 0.8378 1.2727 1.2727 1.5377 1.5377 2.1191 2.1191 2.3469 2.3469 2.3601 2.3601 2.3828 2.3828 2.6589 2.6589 2.8273 2.8273 2.8494 2.8494 3.5147 3.5147 3.5484 3.5484 3.6942 3.6942 4.0672 4.0672 4.1625 4.1625 4.1987 4.1987 4.2504 4.2504 4.3636 4.3636 4.4567 4.4567 4.4716 4.4716 4.7688 4.7688 4.8076 4.8076 5.0748 5.0748 5.1306 5.1306 5.2542 5.2542 5.8566 5.8566 5.8865 5.8865 7.9260 7.9260 8.5487 8.5487 8.7439 8.7439 8.8055 8.8055 8.8109 8.8109 10.4041 10.4041 11.6180 11.6180 k = 0.0000 0.4828-0.0000 ( 6326 PWs) bands (ev): -48.6180 -48.6180 -26.2766 -26.2766 -24.2056 -24.2056 -24.2031 -24.2031 -6.7820 -6.7820 -6.4213 -6.4213 -6.0655 -6.0655 -6.0450 -6.0450 0.8408 0.8408 1.2942 1.2942 1.5171 1.5171 2.1307 2.1307 2.3483 2.3483 2.3614 2.3614 2.3778 2.3778 2.6443 2.6443 2.8264 2.8264 2.8486 2.8486 3.5149 3.5149 3.5488 3.5488 3.6951 3.6951 4.0661 4.0661 4.1717 4.1717 4.1967 4.1967 4.2497 4.2497 4.3597 4.3597 4.4536 4.4536 4.4709 4.4709 4.7682 4.7682 4.8066 4.8066 5.0759 5.0759 5.1380 5.1380 5.2432 5.2432 5.8559 5.8559 5.8858 5.8858 7.9243 7.9243 8.5500 8.5500 8.7468 8.7468 8.8086 8.8086 8.8141 8.8141 10.4255 10.4255 11.6120 11.6120 k = 0.0000 0.5000-0.0000 ( 6302 PWs) bands (ev): -48.6179 -48.6179 -26.2766 -26.2766 -24.2056 -24.2056 -24.2031 -24.2031 -6.7800 -6.7800 -6.4233 -6.4233 -6.0655 -6.0655 -6.0450 -6.0450 0.8418 0.8418 1.3024 1.3024 1.5092 1.5092 2.1347 2.1347 2.3488 2.3488 2.3618 2.3618 2.3762 2.3762 2.6393 2.6393 2.8261 2.8261 2.8483 2.8483 3.5150 3.5150 3.5489 3.5489 3.6955 3.6955 4.0657 4.0657 4.1750 4.1750 4.1959 4.1959 4.2496 4.2496 4.3584 4.3584 4.4526 4.4526 4.4707 4.4707 4.7680 4.7680 4.8063 4.8063 5.0763 5.0763 5.1409 5.1409 5.2391 5.2391 5.8557 5.8557 5.8856 5.8856 7.9237 7.9237 8.5504 8.5504 8.7478 8.7478 8.8097 8.8097 8.8152 8.8152 10.4328 10.4328 11.6100 11.6100 k = 0.0000 0.5000-0.0000 ( 6302 PWs) bands (ev): -48.6179 -48.6179 -26.2766 -26.2766 -24.2056 -24.2056 -24.2031 -24.2031 -6.7800 -6.7800 -6.4233 -6.4233 -6.0655 -6.0655 -6.0450 -6.0450 0.8418 0.8418 1.3024 1.3024 1.5092 1.5092 2.1347 2.1347 2.3488 2.3488 2.3618 2.3618 2.3762 2.3762 2.6393 2.6393 2.8261 2.8261 2.8483 2.8483 3.5150 3.5150 3.5489 3.5489 3.6955 3.6955 4.0657 4.0657 4.1750 4.1750 4.1959 4.1959 4.2496 4.2496 4.3584 4.3584 4.4526 4.4526 4.4707 4.4707 4.7680 4.7680 4.8063 4.8063 5.0763 5.0763 5.1409 5.1409 5.2391 5.2391 5.8557 5.8557 5.8856 5.8856 7.9237 7.9237 8.5504 8.5504 8.7478 8.7478 8.8097 8.8097 8.8152 8.8152 10.4328 10.4328 11.6100 11.6100 k = 0.0172 0.5000-0.0000 ( 6334 PWs) bands (ev): -48.6181 -48.6181 -26.2766 -26.2766 -24.2057 -24.2057 -24.2031 -24.2031 -6.7796 -6.7795 -6.4234 -6.4227 -6.0664 -6.0654 -6.0454 -6.0454 0.8424 0.8430 1.3026 1.3026 1.5091 1.5092 2.1343 2.1353 2.3477 2.3495 2.3613 2.3619 2.3754 2.3771 2.6384 2.6400 2.8255 2.8259 2.8476 2.8483 3.5131 3.5139 3.5461 3.5485 3.6962 3.6969 4.0641 4.0664 4.1678 4.1803 4.1951 4.1952 4.2405 4.2624 4.3571 4.3592 4.4484 4.4542 4.4648 4.4826 4.7624 4.7704 4.7984 4.8126 5.0726 5.0844 5.1383 5.1430 5.2348 5.2445 5.8513 5.8583 5.8842 5.8851 7.9239 7.9262 8.5506 8.5535 8.7329 8.7532 8.8030 8.8077 8.8143 8.8329 10.4340 10.4347 11.6111 11.6129 k = 0.0345 0.5000-0.0000 ( 6338 PWs) bands (ev): -48.6181 -48.6181 -26.2767 -26.2767 -24.2057 -24.2057 -24.2031 -24.2031 -6.7781 -6.7780 -6.4231 -6.4216 -6.0679 -6.0660 -6.0465 -6.0464 0.8446 0.8457 1.3031 1.3032 1.5088 1.5090 2.1340 2.1361 2.3464 2.3499 2.3606 2.3617 2.3748 2.3783 2.6374 2.6405 2.8244 2.8249 2.8463 2.8478 3.5087 3.5099 3.5404 3.5450 3.6991 3.7003 4.0618 4.0663 4.1598 4.1835 4.1912 4.1947 4.2372 4.2770 4.3553 4.3608 4.4455 4.4478 4.4712 4.4968 4.7523 4.7707 4.7917 4.8155 5.0742 5.0955 5.1357 5.1450 5.2314 5.2510 5.8450 5.8590 5.8810 5.8827 7.9271 7.9317 8.5540 8.5599 8.7154 8.7437 8.8001 8.8034 8.8234 8.8546 10.4382 10.4397 11.6161 11.6198 k = 0.0517 0.5000-0.0000 ( 6336 PWs) bands (ev): -48.6181 -48.6181 -26.2767 -26.2767 -24.2057 -24.2057 -24.2031 -24.2031 -6.7756 -6.7754 -6.4223 -6.4201 -6.0701 -6.0673 -6.0482 -6.0481 0.8484 0.8502 1.3040 1.3041 1.5084 1.5087 2.1339 2.1370 2.3447 2.3496 2.3599 2.3613 2.3744 2.3797 2.6363 2.6408 2.8226 2.8229 2.8442 2.8468 3.5017 3.5032 3.5320 3.5384 3.7038 3.7056 4.0589 4.0655 4.1520 4.1813 4.1882 4.1945 4.2385 4.2917 4.3536 4.3637 4.4408 4.4437 4.4821 4.5128 4.7378 4.7692 4.7872 4.8147 5.0800 5.1064 5.1342 5.1481 5.2290 5.2593 5.8371 5.8578 5.8759 5.8786 7.9332 7.9400 8.5601 8.5694 8.6981 8.7271 8.7958 8.7970 8.8401 8.8776 10.4454 10.4476 11.6251 11.6304 k = 0.0690 0.5000-0.0000 ( 6324 PWs) bands (ev): -48.6180 -48.6180 -26.2767 -26.2767 -24.2057 -24.2057 -24.2032 -24.2032 -6.7721 -6.7719 -6.4211 -6.4182 -6.0730 -6.0695 -6.0505 -6.0504 0.8539 0.8562 1.3052 1.3053 1.5078 1.5082 2.1341 2.1382 2.3424 2.3482 2.3597 2.3609 2.3744 2.3813 2.6351 2.6409 2.8200 2.8202 2.8416 2.8456 3.4925 3.4936 3.5215 3.5289 3.7101 3.7122 4.0555 4.0640 4.1450 4.1734 4.1890 4.1947 4.2413 4.3042 4.3533 4.3684 4.4351 4.4428 4.4952 4.5301 4.7204 4.7654 4.7846 4.8113 5.0860 5.1137 5.1361 5.1541 5.2283 5.2700 5.8277 5.8549 5.8692 5.8728 7.9420 7.9511 8.5681 8.5814 8.6825 8.7092 8.7888 8.7890 8.8600 8.9011 10.4556 10.4586 11.6379 11.6447 k = 0.0862 0.5000-0.0000 ( 6320 PWs) bands (ev): -48.6180 -48.6180 -26.2767 -26.2767 -24.2057 -24.2057 -24.2032 -24.2032 -6.7676 -6.7674 -6.4194 -6.4158 -6.0767 -6.0725 -6.0534 -6.0533 0.8609 0.8638 1.3068 1.3069 1.5070 1.5075 2.1347 2.1398 2.3394 2.3456 2.3600 2.3608 2.3748 2.3831 2.6338 2.6410 2.8159 2.8171 2.8385 2.8443 3.4813 3.4814 3.5092 3.5168 3.7175 3.7198 4.0518 4.0619 4.1391 4.1653 4.1901 4.1953 4.2437 4.3119 4.3568 4.3746 4.4310 4.4430 4.5100 4.5485 4.7017 4.7589 4.7829 4.8070 5.0875 5.1153 5.1436 5.1633 5.2305 5.2836 5.8170 5.8504 5.8610 5.8655 7.9536 7.9648 8.5764 8.5950 8.6702 8.6925 8.7790 8.7803 8.8812 8.9246 10.4689 10.4725 11.6543 11.6621 k = 0.1034 0.5000-0.0000 ( 6314 PWs) bands (ev): -48.6180 -48.6180 -26.2767 -26.2767 -24.2057 -24.2057 -24.2033 -24.2033 -6.7621 -6.7619 -6.4172 -6.4130 -6.0811 -6.0764 -6.0570 -6.0565 0.8694 0.8729 1.3086 1.3087 1.5060 1.5065 2.1357 2.1417 2.3357 2.3422 2.3604 2.3609 2.3757 2.3851 2.6324 2.6409 2.8106 2.8130 2.8351 2.8428 3.4667 3.4683 3.4956 3.5024 3.7257 3.7281 4.0483 4.0595 4.1345 4.1582 4.1910 4.1961 4.2453 4.3137 4.3640 4.3815 4.4293 4.4447 4.5260 4.5676 4.6825 4.7492 4.7820 4.8030 5.0837 5.1125 5.1536 5.1730 5.2380 5.3007 5.8053 5.8444 5.8517 5.8572 7.9677 7.9812 8.5820 8.6079 8.6639 8.6792 8.7681 8.7706 8.9026 8.9480 10.4850 10.4893 11.6738 11.6820 k = 0.1207 0.5000-0.0000 ( 6302 PWs) bands (ev): -48.6179 -48.6179 -26.2768 -26.2768 -24.2057 -24.2057 -24.2033 -24.2033 -6.7557 -6.7554 -6.4147 -6.4098 -6.0863 -6.0813 -6.0611 -6.0601 0.8794 0.8834 1.3107 1.3108 1.5046 1.5051 2.1372 2.1441 2.3313 2.3381 2.3607 2.3614 2.3773 2.3873 2.6311 2.6407 2.8042 2.8078 2.8316 2.8413 3.4498 3.4536 3.4808 3.4862 3.7343 3.7368 4.0451 4.0570 4.1310 4.1526 4.1917 4.1971 4.2462 4.3119 4.3713 4.3875 4.4316 4.4483 4.5427 4.5869 4.6636 4.7370 4.7816 4.8001 5.0766 5.1070 5.1606 5.1811 5.2535 5.3211 5.7926 5.8365 5.8418 5.8486 7.9844 8.0000 8.5818 8.6151 8.6658 8.6733 8.7571 8.7611 8.9240 8.9709 10.5040 10.5089 11.6956 11.7032 k = 0.1379 0.5000-0.0000 ( 6302 PWs) bands (ev): -48.6179 -48.6179 -26.2768 -26.2768 -24.2058 -24.2058 -24.2034 -24.2034 -6.7484 -6.7481 -6.4117 -6.4062 -6.0923 -6.0872 -6.0656 -6.0639 0.8907 0.8953 1.3131 1.3132 1.5028 1.5034 2.1394 2.1472 2.3265 2.3335 2.3609 2.3621 2.3796 2.3897 2.6299 2.6405 2.7966 2.8014 2.8282 2.8397 3.4309 3.4372 3.4650 3.4684 3.7432 3.7456 4.0423 4.0546 4.1288 4.1484 4.1922 4.1983 4.2467 4.3085 4.3751 4.3914 4.4389 4.4543 4.5595 4.6058 4.6459 4.7232 4.7818 4.7980 5.0674 5.0995 5.1622 5.1865 5.2767 5.3442 5.7791 5.8259 5.8321 5.8411 8.0034 8.0210 8.5757 8.6122 8.6738 8.6765 8.7484 8.7546 8.9451 8.9933 10.5258 10.5312 11.7183 11.7235 k = 0.1552 0.5000-0.0000 ( 6298 PWs) bands (ev): -48.6179 -48.6179 -26.2768 -26.2768 -24.2058 -24.2058 -24.2035 -24.2035 -6.7402 -6.7398 -6.4083 -6.4021 -6.0991 -6.0940 -6.0705 -6.0681 0.9033 0.9084 1.3156 1.3157 1.5007 1.5012 2.1423 2.1509 2.3214 2.3288 2.3608 2.3629 2.3825 2.3923 2.6288 2.6402 2.7881 2.7938 2.8251 2.8380 3.4104 3.4193 3.4482 3.4493 3.7521 3.7543 4.0402 4.0526 4.1278 4.1455 4.1926 4.1996 4.2471 4.3046 4.3750 4.3928 4.4508 4.4620 4.5759 4.6192 4.6348 4.7089 4.7827 4.7964 5.0571 5.0905 5.1595 5.1892 5.3048 5.3687 5.7649 5.8128 5.8235 5.8355 8.0246 8.0442 8.5665 8.6027 8.6801 8.6802 8.7472 8.7566 8.9657 9.0150 10.5503 10.5562 11.7391 11.7396 k = 0.1724 0.5000-0.0000 ( 6298 PWs) bands (ev): -48.6179 -48.6179 -26.2769 -26.2769 -24.2059 -24.2059 -24.2035 -24.2035 -6.7312 -6.7308 -6.4045 -6.3978 -6.1068 -6.1018 -6.0757 -6.0725 0.9171 0.9227 1.3183 1.3184 1.4980 1.4986 2.1462 2.1555 2.3162 2.3240 2.3607 2.3639 2.3859 2.3952 2.6278 2.6400 2.7785 2.7850 2.8222 2.8363 3.3886 3.3999 3.4293 3.4305 3.7608 3.7628 4.0388 4.0512 4.1278 4.1438 4.1929 4.2008 4.2476 4.3008 4.3723 4.3921 4.4654 4.4702 4.5908 4.6104 4.6471 4.6955 4.7843 4.7952 5.0460 5.0803 5.1537 5.1892 5.3352 5.3933 5.7496 5.7977 5.8172 5.8318 8.0478 8.0692 8.5561 8.5912 8.6760 8.6773 8.7586 8.7706 8.9856 9.0359 10.5775 10.5837 11.7481 11.7536 k = 0.1897 0.5000-0.0000 ( 6300 PWs) bands (ev): -48.6179 -48.6179 -26.2769 -26.2769 -24.2059 -24.2059 -24.2036 -24.2036 -6.7213 -6.7209 -6.4004 -6.3930 -6.1152 -6.1104 -6.0813 -6.0773 0.9319 0.9380 1.3211 1.3211 1.4948 1.4953 2.1511 2.1610 2.3111 2.3193 2.3604 2.3648 2.3898 2.3984 2.6269 2.6399 2.7681 2.7751 2.8195 2.8344 3.3659 3.3793 3.4085 3.4118 3.7692 3.7710 4.0382 4.0507 4.1290 4.1432 4.1933 4.2020 4.2483 4.2973 4.3682 4.3898 4.4770 4.4812 4.5994 4.6021 4.6639 4.6853 4.7868 4.7942 5.0343 5.0691 5.1458 5.1868 5.3660 5.4166 5.7333 5.7811 5.8145 5.8306 8.0727 8.0959 8.5457 8.5794 8.6652 8.6668 8.7803 8.7936 9.0048 9.0557 10.6070 10.6137 11.7474 11.7580 k = 0.2069 0.5000-0.0000 ( 6296 PWs) bands (ev): -48.6178 -48.6178 -26.2770 -26.2770 -24.2060 -24.2060 -24.2037 -24.2037 -6.7107 -6.7102 -6.3959 -6.3880 -6.1245 -6.1199 -6.0871 -6.0823 0.9476 0.9542 1.3240 1.3240 1.4909 1.4914 2.1572 2.1676 2.3062 2.3148 2.3602 2.3659 2.3940 2.4019 2.6263 2.6398 2.7568 2.7641 2.8170 2.8324 3.3425 3.3577 3.3870 3.3922 3.7771 3.7787 4.0384 4.0512 4.1313 4.1435 4.1936 4.2030 4.2494 4.2941 4.3636 4.3864 4.4804 4.4973 4.5924 4.6067 4.6798 4.6816 4.7904 4.7934 5.0223 5.0570 5.1361 5.1820 5.3955 5.4376 5.7160 5.7634 5.8164 5.8324 8.0992 8.1240 8.5357 8.5682 8.6514 8.6531 8.8071 8.8213 9.0232 9.0745 10.6389 10.6459 11.7381 11.7515 k = 0.2241 0.5000-0.0000 ( 6284 PWs) bands (ev): -48.6178 -48.6178 -26.2770 -26.2770 -24.2060 -24.2060 -24.2038 -24.2038 -6.6993 -6.6988 -6.3911 -6.3826 -6.1345 -6.1301 -6.0931 -6.0875 0.9642 0.9712 1.3269 1.3269 1.4864 1.4867 2.1645 2.1754 2.3016 2.3106 2.3601 2.3669 2.3985 2.4057 2.6259 2.6398 2.7448 2.7523 2.8147 2.8304 3.3188 3.3354 3.3649 3.3717 3.7844 3.7860 4.0392 4.0528 4.1345 4.1445 4.1940 4.2038 4.2509 4.2914 4.3587 4.3823 4.4792 4.5132 4.5910 4.6028 4.6862 4.6939 4.7928 4.7953 5.0101 5.0442 5.1249 5.1749 5.4227 5.4553 5.6979 5.7448 5.8237 5.8377 8.1271 8.1533 8.5265 8.5578 8.6363 8.6383 8.8367 8.8514 9.0406 9.0922 10.6730 10.6802 11.7212 11.7357 k = 0.2414 0.5000-0.0000 ( 6284 PWs) bands (ev): -48.6178 -48.6178 -26.2771 -26.2771 -24.2061 -24.2061 -24.2039 -24.2039 -6.6873 -6.6868 -6.3859 -6.3770 -6.1453 -6.1410 -6.0994 -6.0931 0.9814 0.9888 1.3297 1.3298 1.4812 1.4813 2.1733 2.1845 2.2976 2.3070 2.3601 2.3678 2.4033 2.4097 2.6258 2.6399 2.7321 2.7395 2.8126 2.8283 3.2950 3.3126 3.3422 3.3504 3.7911 3.7927 4.0408 4.0555 4.1384 4.1460 4.1944 4.2042 4.2527 4.2892 4.3541 4.3775 4.4734 4.5281 4.5933 4.5948 4.6967 4.7061 4.7922 4.8014 4.9979 5.0309 5.1123 5.1657 5.4466 5.4694 5.6793 5.7255 5.8363 5.8471 8.1559 8.1834 8.5181 8.5482 8.6212 8.6235 8.8677 8.8827 9.0571 9.1085 10.7091 10.7164 11.6980 11.7123 k = 0.2586 0.5000-0.0000 ( 6292 PWs) bands (ev): -48.6178 -48.6178 -26.2771 -26.2771 -24.2062 -24.2062 -24.2039 -24.2039 -6.6747 -6.6741 -6.3805 -6.3712 -6.1567 -6.1526 -6.1058 -6.0989 0.9992 1.0069 1.3325 1.3326 1.4751 1.4751 2.1835 2.1949 2.2942 2.3038 2.3602 2.3687 2.4083 2.4140 2.6258 2.6401 2.7187 2.7260 2.8106 2.8262 3.2712 3.2896 3.3189 3.3284 3.7972 3.7988 4.0430 4.0593 4.1431 4.1479 4.1950 4.2042 4.2550 4.2877 4.3497 4.3724 4.4643 4.5402 4.5832 4.6026 4.7097 4.7163 4.7919 4.8085 4.9857 5.0171 5.0986 5.1542 5.4666 5.4799 5.6604 5.7058 5.8539 5.8606 8.1855 8.2140 8.5105 8.5394 8.6066 8.6093 8.8993 8.9144 9.0726 9.1235 10.7470 10.7544 11.6692 11.6828 k = 0.2759 0.5000-0.0000 ( 6280 PWs) bands (ev): -48.6177 -48.6177 -26.2772 -26.2772 -24.2062 -24.2062 -24.2040 -24.2040 -6.6615 -6.6609 -6.3749 -6.3652 -6.1686 -6.1647 -6.1123 -6.1049 1.0175 1.0254 1.3352 1.3354 1.4681 1.4684 2.1953 2.2068 2.2914 2.3014 2.3605 2.3697 2.4134 2.4185 2.6260 2.6403 2.7047 2.7118 2.8089 2.8240 3.2479 3.2667 3.2953 3.3058 3.8026 3.8043 4.0459 4.0640 4.1482 4.1501 4.1958 4.2038 4.2577 4.2869 4.3458 4.3670 4.4535 4.5433 4.5805 4.6130 4.7233 4.7249 4.7919 4.8161 4.9736 5.0030 5.0839 5.1410 5.4827 5.4874 5.6417 5.6860 5.8754 5.8781 8.2156 8.2447 8.5038 8.5314 8.5929 8.5960 8.9309 8.9459 9.0870 9.1371 10.7865 10.7939 11.6360 11.6484 k = 0.2931 0.5000-0.0000 ( 6292 PWs) bands (ev): -48.6178 -48.6178 -26.2772 -26.2772 -24.2063 -24.2063 -24.2041 -24.2041 -6.6479 -6.6473 -6.3691 -6.3591 -6.1811 -6.1772 -6.1190 -6.1111 1.0360 1.0440 1.3378 1.3380 1.4603 1.4608 2.2086 2.2201 2.2894 2.2995 2.3610 2.3705 2.4186 2.4231 2.6265 2.6406 2.6900 2.6969 2.8073 2.8219 3.2250 3.2440 3.2714 3.2827 3.8073 3.8092 4.0494 4.0695 4.1521 4.1535 4.1967 4.2028 4.2608 4.2870 4.3424 4.3613 4.4422 4.5341 4.5892 4.6247 4.7320 4.7364 4.7923 4.8237 4.9618 4.9889 5.0684 5.1260 5.4925 5.4950 5.6235 5.6664 5.8989 5.8997 8.2457 8.2752 8.4978 8.5241 8.5805 8.5840 8.9621 8.9768 9.1003 9.1492 10.8275 10.8347 11.5993 11.6103 k = 0.3103 0.5000-0.0000 ( 6284 PWs) bands (ev): -48.6178 -48.6178 -26.2773 -26.2773 -24.2064 -24.2064 -24.2041 -24.2041 -6.6340 -6.6333 -6.3631 -6.3529 -6.1939 -6.1902 -6.1256 -6.1174 1.0546 1.0628 1.3403 1.3405 1.4517 1.4525 2.2234 2.2347 2.2883 2.2985 2.3617 2.3714 2.4239 2.4278 2.6271 2.6407 2.6748 2.6814 2.8060 2.8198 3.2029 3.2218 3.2475 3.2593 3.8115 3.8136 4.0535 4.0756 4.1541 4.1588 4.1978 4.2012 4.2645 4.2880 4.3396 4.3556 4.4309 4.5199 4.6025 4.6372 4.7383 4.7485 4.7935 4.8307 4.9504 4.9748 5.0523 5.1098 5.4960 5.5040 5.6061 5.6472 5.9220 5.9256 8.2756 8.3051 8.4926 8.5175 8.5695 8.5733 8.9925 9.0066 9.1126 9.1598 10.8695 10.8766 11.5602 11.5699 k = 0.3276 0.5000-0.0000 ( 6282 PWs) bands (ev): -48.6177 -48.6177 -26.2773 -26.2773 -24.2065 -24.2065 -24.2042 -24.2042 -6.6198 -6.6191 -6.3571 -6.3467 -6.2071 -6.2034 -6.1323 -6.1238 1.0733 1.0815 1.3425 1.3427 1.4424 1.4435 2.2396 2.2506 2.2881 2.2982 2.3626 2.3722 2.4291 2.4325 2.6278 2.6405 2.6591 2.6657 2.8049 2.8178 3.1817 3.2001 3.2239 3.2359 3.8152 3.8174 4.0582 4.0823 4.1556 4.1637 4.1990 4.1991 4.2687 4.2901 4.3374 4.3499 4.4202 4.5043 4.6171 4.6501 4.7441 4.7588 4.7959 4.8365 4.9395 4.9609 5.0357 5.0924 5.4983 5.5103 5.5899 5.6287 5.9466 5.9521 8.3048 8.3339 8.4882 8.5115 8.5601 8.5642 9.0217 9.0350 9.1239 9.1689 10.9125 10.9194 11.5199 11.5281 k = 0.3448 0.5000-0.0000 ( 6278 PWs) bands (ev): -48.6177 -48.6177 -26.2773 -26.2773 -24.2065 -24.2065 -24.2042 -24.2042 -6.6054 -6.6047 -6.3511 -6.3406 -6.2203 -6.2168 -6.1389 -6.1303 1.0918 1.1000 1.3446 1.3448 1.4324 1.4338 2.2567 2.2671 2.2892 2.2993 2.3637 2.3730 2.4343 2.4372 2.6286 2.6385 2.6429 2.6511 2.8040 2.8158 3.1617 3.1790 3.2011 3.2129 3.8184 3.8208 4.0633 4.0892 4.1566 4.1681 4.1967 4.2002 4.2736 4.2932 4.3357 4.3443 4.4104 4.4882 4.6320 4.6631 4.7498 4.7666 4.7999 4.8406 4.9291 4.9475 5.0190 5.0744 5.4999 5.5145 5.5751 5.6111 5.9716 5.9783 8.3330 8.3611 8.4844 8.5062 8.5524 8.5566 9.0493 9.0615 9.1341 9.1765 10.9560 10.9627 11.4795 11.4864 k = 0.3621 0.5000-0.0000 ( 6282 PWs) bands (ev): -48.6177 -48.6177 -26.2774 -26.2774 -24.2066 -24.2066 -24.2042 -24.2042 -6.5911 -6.5904 -6.3452 -6.3347 -6.2336 -6.2301 -6.1453 -6.1367 1.1101 1.1181 1.3464 1.3466 1.4219 1.4236 2.2728 2.2824 2.2934 2.3033 2.3649 2.3737 2.4394 2.4419 2.6257 2.6277 2.6298 2.6445 2.8034 2.8140 3.1429 3.1587 3.1795 3.1905 3.8211 3.8236 4.0690 4.0962 4.1569 4.1714 4.1943 4.2013 4.2792 4.2972 4.3345 4.3391 4.4015 4.4721 4.6470 4.6759 4.7556 4.7717 4.8056 4.8425 4.9193 4.9349 5.0024 5.0559 5.5010 5.5172 5.5619 5.5946 5.9961 6.0033 8.3597 8.3862 8.4814 8.5017 8.5462 8.5506 9.0750 9.0860 9.1434 9.1826 10.9998 11.0062 11.4400 11.4457 k = 0.3793 0.5000-0.0000 ( 6282 PWs) bands (ev): -48.6177 -48.6177 -26.2774 -26.2774 -24.2067 -24.2067 -24.2043 -24.2043 -6.5770 -6.5763 -6.3395 -6.3292 -6.2465 -6.2431 -6.1513 -6.1431 1.1279 1.1357 1.3480 1.3482 1.4110 1.4130 2.2825 2.2912 2.3058 2.3153 2.3662 2.3744 2.4442 2.4463 2.6085 2.6108 2.6306 2.6432 2.8029 2.8123 3.1257 3.1391 3.1596 3.1692 3.8235 3.8260 4.0750 4.1031 4.1566 4.1733 4.1924 4.2021 4.2855 4.3017 4.3339 4.3343 4.3936 4.4561 4.6620 4.6884 4.7618 4.7748 4.8124 4.8420 4.9104 4.9235 4.9861 5.0375 5.5020 5.5187 5.5505 5.5794 6.0193 6.0265 8.3843 8.4085 8.4792 8.4982 8.5415 8.5459 9.0985 9.1080 9.1519 9.1872 11.0436 11.0495 11.4025 11.4071 k = 0.3966 0.5000-0.0000 ( 6284 PWs) bands (ev): -48.6177 -48.6177 -26.2775 -26.2775 -24.2068 -24.2068 -24.2043 -24.2043 -6.5633 -6.5627 -6.3343 -6.3244 -6.2589 -6.2555 -6.1570 -6.1492 1.1451 1.1525 1.3494 1.3495 1.3999 1.4023 2.2866 2.2945 2.3253 2.3339 2.3676 2.3749 2.4487 2.4504 2.5904 2.5926 2.6315 2.6427 2.8027 2.8108 3.1100 3.1206 3.1419 3.1495 3.8256 3.8280 4.0815 4.1098 4.1555 4.1733 4.1916 4.2026 4.2926 4.3066 4.3303 4.3339 4.3865 4.4403 4.6768 4.7004 4.7686 4.7764 4.8194 4.8387 4.9024 4.9135 4.9707 5.0194 5.5028 5.5194 5.5409 5.5655 6.0407 6.0474 8.4064 8.4273 8.4780 8.4959 8.5383 8.5426 9.1196 9.1274 9.1596 9.1904 11.0866 11.0922 11.3680 11.3716 k = 0.4138 0.5000-0.0000 ( 6280 PWs) bands (ev): -48.6177 -48.6177 -26.2775 -26.2775 -24.2068 -24.2068 -24.2043 -24.2043 -6.5504 -6.5498 -6.3297 -6.3204 -6.2702 -6.2669 -6.1621 -6.1549 1.1614 1.1682 1.3504 1.3505 1.3890 1.3916 2.2892 2.2962 2.3473 2.3550 2.3690 2.3753 2.4528 2.4542 2.5717 2.5735 2.6326 2.6422 2.8027 2.8095 3.0961 3.1037 3.1267 3.1319 3.8274 3.8295 4.0883 4.1160 4.1537 4.1713 4.1920 4.2026 4.3005 4.3112 4.3272 4.3347 4.3802 4.4248 4.6916 4.7118 4.7761 4.7771 4.8257 4.8326 4.8956 4.9051 4.9566 5.0020 5.5036 5.5195 5.5333 5.5531 6.0596 6.0656 8.4252 8.4419 8.4779 8.4951 8.5363 8.5405 9.1381 9.1438 9.1666 9.1924 11.1285 11.1335 11.3373 11.3401 k = 0.4310 0.5000-0.0000 ( 6272 PWs) bands (ev): -48.6177 -48.6177 -26.2775 -26.2775 -24.2069 -24.2069 -24.2043 -24.2043 -6.5387 -6.5382 -6.3260 -6.3179 -6.2796 -6.2767 -6.1664 -6.1602 1.1764 1.1825 1.3509 1.3510 1.3789 1.3815 2.2915 2.2974 2.3701 2.3702 2.3759 2.3773 2.4563 2.4574 2.5521 2.5538 2.6336 2.6415 2.8029 2.8083 3.0842 3.0889 3.1139 3.1170 3.8289 3.8307 4.0953 4.1215 4.1513 4.1682 4.1930 4.2022 4.3090 4.3149 4.3252 4.3367 4.3744 4.4097 4.7060 4.7221 4.7770 4.7845 4.8241 4.8308 4.8901 4.8984 4.9447 4.9856 5.5045 5.5193 5.5277 5.5424 6.0758 6.0808 8.4400 8.4518 8.4794 8.4957 8.5357 8.5394 9.1537 9.1572 9.1730 9.1930 11.1680 11.1725 11.3111 11.3132 k = 0.4483 0.5000-0.0000 ( 6270 PWs) bands (ev): -48.6177 -48.6177 -26.2775 -26.2775 -24.2069 -24.2069 -24.2044 -24.2044 -6.5286 -6.5282 -6.3238 -6.3174 -6.2865 -6.2843 -6.1698 -6.1648 1.1897 1.1948 1.3507 1.3508 1.3703 1.3726 2.2936 2.2981 2.3715 2.3754 2.3945 2.3999 2.4593 2.4600 2.5317 2.5334 2.6347 2.6407 2.8032 2.8072 3.0743 3.0769 3.1037 3.1051 3.8301 3.8315 4.1023 4.1258 4.1490 4.1644 4.1944 4.2015 4.3169 4.3175 4.3254 4.3400 4.3691 4.3951 4.7198 4.7312 4.7764 4.7936 4.8140 4.8336 4.8860 4.8928 4.9360 4.9704 5.5056 5.5187 5.5238 5.5333 6.0888 6.0927 8.4501 8.4574 8.4829 8.4971 8.5363 8.5391 9.1664 9.1674 9.1787 9.1926 11.2039 11.2077 11.2902 11.2915 k = 0.4655 0.5000-0.0000 ( 6266 PWs) bands (ev): -48.6176 -48.6176 -26.2775 -26.2775 -24.2069 -24.2069 -24.2044 -24.2044 -6.5207 -6.5204 -6.3229 -6.3188 -6.2903 -6.2891 -6.1721 -6.1686 1.2006 1.2043 1.3495 1.3498 1.3644 1.3661 2.2954 2.2985 2.3726 2.3753 2.4183 2.4227 2.4615 2.4619 2.5106 2.5124 2.6357 2.6398 2.8037 2.8063 3.0668 3.0679 3.0963 3.0967 3.8310 3.8320 4.1092 4.1277 4.1478 4.1603 4.1957 4.2005 4.3189 4.3198 4.3321 4.3442 4.3640 4.3810 4.7324 4.7388 4.7757 4.8002 4.8059 4.8334 4.8832 4.8884 4.9317 4.9570 5.5072 5.5178 5.5214 5.5261 6.0985 6.1011 8.4559 8.4600 8.4877 8.4981 8.5376 8.5394 9.1751 9.1759 9.1832 9.1911 11.2338 11.2365 11.2749 11.2757 k = 0.4828 0.5000-0.0000 ( 6264 PWs) bands (ev): -48.6176 -48.6176 -26.2775 -26.2775 -24.2069 -24.2069 -24.2044 -24.2044 -6.5156 -6.5155 -6.3229 -6.3209 -6.2918 -6.2915 -6.1732 -6.1713 1.2081 1.2101 1.3477 1.3480 1.3616 1.3624 2.2968 2.2984 2.3736 2.3750 2.4419 2.4453 2.4630 2.4630 2.4886 2.4909 2.6368 2.6389 2.8042 2.8055 3.0621 3.0625 3.0916 3.0917 3.8317 3.8322 4.1158 4.1261 4.1490 4.1561 4.1970 4.1994 4.3195 4.3200 4.3428 4.3490 4.3589 4.3676 4.7420 4.7442 4.7766 4.7908 4.8139 4.8296 4.8821 4.8850 4.9322 4.9457 5.5094 5.5157 5.5203 5.5217 6.1046 6.1059 8.4589 8.4607 8.4923 8.4977 8.5388 8.5397 9.1808 9.1822 9.1857 9.1887 11.2543 11.2556 11.2660 11.2661 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -48.6176 -48.6176 -26.2775 -26.2775 -24.2069 -24.2069 -24.2044 -24.2044 -6.5138 -6.5138 -6.3224 -6.3224 -6.2922 -6.2922 -6.1729 -6.1729 1.2114 1.2114 1.3469 1.3469 1.3611 1.3611 2.2979 2.2979 2.3744 2.3744 2.4625 2.4625 2.4639 2.4639 2.4709 2.4709 2.6378 2.6378 2.8048 2.8048 3.0606 3.0606 3.0901 3.0901 3.8321 3.8321 4.1217 4.1217 4.1522 4.1522 4.1983 4.1983 4.3199 4.3199 4.3538 4.3538 4.3549 4.3549 4.7460 4.7460 4.7816 4.7816 4.8227 4.8227 4.8828 4.8828 4.9372 4.9372 5.5125 5.5125 5.5202 5.5202 6.1071 6.1071 8.4603 8.4603 8.4958 8.4958 8.5396 8.5396 9.1852 9.1852 9.1855 9.1855 11.2607 11.2607 11.2643 11.2643 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -48.6176 -48.6176 -26.2775 -26.2775 -24.2069 -24.2069 -24.2044 -24.2044 -6.5138 -6.5138 -6.3224 -6.3224 -6.2922 -6.2922 -6.1729 -6.1729 1.2114 1.2114 1.3469 1.3469 1.3611 1.3611 2.2979 2.2979 2.3744 2.3744 2.4625 2.4625 2.4639 2.4639 2.4709 2.4709 2.6378 2.6378 2.8048 2.8048 3.0606 3.0606 3.0901 3.0901 3.8321 3.8321 4.1217 4.1217 4.1522 4.1522 4.1983 4.1983 4.3199 4.3199 4.3538 4.3538 4.3549 4.3549 4.7460 4.7460 4.7816 4.7816 4.8227 4.8227 4.8828 4.8828 4.9372 4.9372 5.5125 5.5125 5.5202 5.5202 6.1071 6.1071 8.4603 8.4603 8.4958 8.4958 8.5396 8.5396 9.1852 9.1852 9.1855 9.1855 11.2607 11.2607 11.2643 11.2643 k = 0.4878 0.4878-0.0000 ( 6260 PWs) bands (ev): -48.6176 -48.6176 -26.2775 -26.2775 -24.2069 -24.2069 -24.2044 -24.2044 -6.5157 -6.5155 -6.3228 -6.3209 -6.2918 -6.2915 -6.1732 -6.1713 1.2081 1.2101 1.3473 1.3479 1.3618 1.3626 2.2968 2.2984 2.3736 2.3750 2.4416 2.4447 2.4638 2.4643 2.4879 2.4904 2.6368 2.6390 2.8042 2.8055 3.0622 3.0623 3.0916 3.0918 3.8317 3.8322 4.1158 4.1262 4.1488 4.1562 4.1970 4.1995 4.3196 4.3199 4.3421 4.3531 4.3543 4.3688 4.7428 4.7433 4.7769 4.7906 4.8139 4.8296 4.8820 4.8851 4.9322 4.9457 5.5094 5.5159 5.5205 5.5214 6.1046 6.1060 8.4589 8.4607 8.4923 8.4978 8.5388 8.5396 9.1797 9.1842 9.1853 9.1881 11.2523 11.2540 11.2679 11.2679 k = 0.4756 0.4756-0.0000 ( 6262 PWs) bands (ev): -48.6176 -48.6176 -26.2775 -26.2775 -24.2069 -24.2069 -24.2044 -24.2044 -6.5208 -6.5206 -6.3219 -6.3184 -6.2906 -6.2899 -6.1721 -6.1685 1.2007 1.2044 1.3462 1.3475 1.3671 1.3686 2.2953 2.2985 2.3726 2.3753 2.4170 2.4208 2.4651 2.4666 2.5067 2.5093 2.6365 2.6411 2.8037 2.8063 3.0667 3.0672 3.0962 3.0973 3.8310 3.8320 4.1090 4.1291 4.1460 4.1609 4.1957 4.2005 4.3192 4.3198 4.3314 4.3513 4.3541 4.3844 4.7341 4.7364 4.7774 4.7995 4.8056 4.8334 4.8827 4.8889 4.9317 4.9570 5.5070 5.5184 5.5235 5.5236 6.0985 6.1012 8.4565 8.4601 8.4872 8.4982 8.5375 8.5391 9.1715 9.1817 9.1839 9.1881 11.2264 11.2295 11.2827 11.2831 k = 0.4634 0.4634-0.0000 ( 6270 PWs) bands (ev): -48.6177 -48.6177 -26.2775 -26.2775 -24.2069 -24.2069 -24.2044 -24.2044 -6.5291 -6.5287 -6.3200 -6.3151 -6.2885 -6.2874 -6.1699 -6.1646 1.1903 1.1953 1.3415 1.3431 1.3786 1.3802 2.2935 2.2982 2.3711 2.3755 2.3922 2.3962 2.4677 2.4701 2.5206 2.5238 2.6389 2.6465 2.8032 2.8073 3.0723 3.0748 3.1042 3.1075 3.8301 3.8315 4.1018 4.1304 4.1433 4.1658 4.1943 4.2014 4.3183 4.3185 4.3232 4.3484 4.3542 4.4014 4.7213 4.7283 4.7804 4.7933 4.8121 4.8335 4.8847 4.8943 4.9359 4.9703 5.5054 5.5203 5.5268 5.5287 6.0890 6.0929 8.4528 8.4582 8.4805 8.4971 8.5360 8.5382 9.1606 9.1777 9.1813 9.1856 11.1884 11.1925 11.3074 11.3083 k = 0.4512 0.4512-0.0000 ( 6276 PWs) bands (ev): -48.6177 -48.6177 -26.2775 -26.2775 -24.2069 -24.2069 -24.2043 -24.2043 -6.5400 -6.5397 -6.3171 -6.3111 -6.2856 -6.2840 -6.1665 -6.1597 1.1778 1.1839 1.3337 1.3355 1.3944 1.3957 2.2912 2.2973 2.3629 2.3702 2.3736 2.3763 2.4714 2.4748 2.5276 2.5317 2.6467 2.6574 2.8029 2.8084 3.0786 3.0838 3.1157 3.1221 3.8289 3.8307 4.0946 4.1307 4.1406 4.1701 4.1928 4.2019 4.3132 4.3175 4.3196 4.3449 4.3557 4.4196 4.7071 4.7189 4.7838 4.7840 4.8212 4.8305 4.8879 4.9009 4.9444 4.9854 5.5045 5.5229 5.5309 5.5348 6.0764 6.0814 8.4477 8.4550 8.4723 8.4945 8.5345 8.5373 9.1473 9.1720 9.1773 9.1808 11.1421 11.1467 11.3411 11.3425 k = 0.4390 0.4390-0.0000 ( 6272 PWs) bands (ev): -48.6177 -48.6177 -26.2775 -26.2775 -24.2068 -24.2068 -24.2043 -24.2043 -6.5532 -6.5530 -6.3135 -6.3067 -6.2820 -6.2798 -6.1621 -6.1540 1.1638 1.1708 1.3235 1.3255 1.4131 1.4140 2.2886 2.2961 2.3386 2.3451 2.3708 2.3759 2.4763 2.4808 2.5278 2.5325 2.6610 2.6745 2.8027 2.8097 3.0855 3.0934 3.1310 3.1403 3.8275 3.8295 4.0875 4.1303 4.1378 4.1735 4.1911 4.2017 4.3075 4.3159 4.3170 4.3411 4.3596 4.4388 4.6925 4.7085 4.7755 4.7871 4.8252 4.8291 4.8922 4.9086 4.9561 5.0018 5.5043 5.5264 5.5358 5.5414 6.0610 6.0672 8.4411 8.4502 8.4627 8.4904 8.5335 8.5369 9.1317 9.1643 9.1719 9.1741 11.0898 11.0947 11.3829 11.3850 k = 0.4268 0.4268-0.0000 ( 6274 PWs) bands (ev): -48.6177 -48.6177 -26.2775 -26.2775 -24.2067 -24.2067 -24.2043 -24.2043 -6.5684 -6.5683 -6.3091 -6.3018 -6.2777 -6.2749 -6.1569 -6.1478 1.1488 1.1564 1.3109 1.3132 1.4340 1.4344 2.2856 2.2945 2.3123 2.3190 2.3698 2.3759 2.4823 2.4880 2.5234 2.5280 2.6807 2.6965 2.8027 2.8112 3.0930 3.1033 3.1493 3.1613 3.8259 3.8280 4.0807 4.1295 4.1350 4.1758 4.1892 4.2004 4.3030 4.3131 4.3135 4.3375 4.3664 4.4589 4.6777 4.6972 4.7679 4.7900 4.8185 4.8357 4.8974 4.9172 4.9699 5.0193 5.5046 5.5308 5.5415 5.5481 6.0436 6.0507 8.4332 8.4437 8.4518 8.4847 8.5334 8.5371 9.1140 9.1542 9.1651 9.1659 11.0330 11.0380 11.4317 11.4347 k = 0.4146 0.4146-0.0000 ( 6284 PWs) bands (ev): -48.6177 -48.6177 -26.2774 -26.2774 -24.2067 -24.2067 -24.2043 -24.2043 -6.5853 -6.5852 -6.3042 -6.2965 -6.2729 -6.2694 -6.1511 -6.1410 1.1329 1.1410 1.2962 1.2987 1.4565 1.4566 2.2819 2.2855 2.2926 2.2930 2.3692 2.3759 2.4893 2.4962 2.5165 2.5208 2.7039 2.7219 2.8029 2.8130 3.1013 3.1136 3.1697 3.1841 3.8240 3.8261 4.0741 4.1285 4.1322 4.1770 4.1868 4.1976 4.2996 4.3089 4.3091 4.3349 4.3763 4.4798 4.6631 4.6854 4.7613 4.7924 4.8110 4.8406 4.9036 4.9266 4.9853 5.0376 5.5052 5.5364 5.5478 5.5544 6.0246 6.0325 8.4239 8.4355 8.4399 8.4775 8.5341 8.5382 9.0944 9.1415 9.1565 9.1567 10.9724 10.9775 11.4860 11.4902 k = 0.4024 0.4024-0.0000 ( 6280 PWs) bands (ev): -48.6177 -48.6177 -26.2774 -26.2774 -24.2066 -24.2066 -24.2043 -24.2042 -6.6035 -6.6034 -6.2988 -6.2909 -6.2675 -6.2634 -6.1448 -6.1341 1.1162 1.1248 1.2794 1.2821 1.4801 1.4808 2.2583 2.2641 2.2803 2.2905 2.3690 2.3760 2.4973 2.5052 2.5089 2.5131 2.7293 2.7494 2.8034 2.8151 3.1103 3.1242 3.1915 3.2080 3.8220 3.8239 4.0678 4.1276 4.1296 4.1773 4.1839 4.1931 4.2974 4.3034 4.3045 4.3337 4.3889 4.5012 4.6487 4.6731 4.7555 4.7942 4.8032 4.8438 4.9107 4.9364 5.0018 5.0566 5.5058 5.5432 5.5545 5.5599 6.0049 6.0134 8.4137 8.4251 8.4279 8.4689 8.5359 8.5402 9.0732 9.1265 9.1457 9.1468 10.9087 10.9138 11.5445 11.5499 k = 0.3902 0.3902-0.0000 ( 6292 PWs) bands (ev): -48.6178 -48.6178 -26.2773 -26.2773 -24.2065 -24.2065 -24.2042 -24.2042 -6.6228 -6.6226 -6.2928 -6.2848 -6.2615 -6.2570 -6.1383 -6.1270 1.0988 1.1076 1.2608 1.2637 1.5049 1.5062 2.2307 2.2368 2.2765 2.2881 2.3693 2.3762 2.5011 2.5040 2.5071 2.5168 2.7561 2.7784 2.8042 2.8176 3.1200 3.1353 3.2141 3.2326 3.8198 3.8212 4.0617 4.1269 4.1272 4.1767 4.1800 4.1868 4.2961 4.2969 4.3002 4.3337 4.4036 4.5229 4.6346 4.6605 4.7505 4.7937 4.7968 4.8453 4.9187 4.9465 5.0193 5.0759 5.5060 5.5512 5.5618 5.5640 5.9853 5.9942 8.4028 8.4119 8.4170 8.4590 8.5384 8.5429 9.0506 9.1094 9.1335 9.1351 10.8424 10.8473 11.6052 11.6122 k = 0.3780 0.3780-0.0000 ( 6296 PWs) bands (ev): -48.6178 -48.6178 -26.2773 -26.2773 -24.2064 -24.2064 -24.2042 -24.2042 -6.6430 -6.6426 -6.2865 -6.2784 -6.2552 -6.2503 -6.1317 -6.1200 1.0807 1.0897 1.2404 1.2435 1.5309 1.5326 2.2029 2.2088 2.2730 2.2855 2.3698 2.3762 2.4955 2.4972 2.5169 2.5281 2.7837 2.8055 2.8081 2.8206 3.1304 3.1467 3.2371 3.2573 3.8173 3.8182 4.0558 4.1252 4.1266 4.1742 4.1751 4.1799 4.2904 4.2943 4.2979 4.3346 4.4201 4.5446 4.6211 4.6479 4.7461 4.7857 4.7974 4.8453 4.9273 4.9564 5.0377 5.0955 5.5050 5.5604 5.5660 5.5696 5.9668 5.9759 8.3915 8.3974 8.4061 8.4480 8.5415 8.5462 9.0268 9.0903 9.1197 9.1217 10.7736 10.7784 11.6665 11.6751 k = 0.3659 0.3659-0.0000 ( 6294 PWs) bands (ev): -48.6178 -48.6178 -26.2772 -26.2772 -24.2063 -24.2063 -24.2042 -24.2042 -6.6638 -6.6634 -6.2796 -6.2715 -6.2483 -6.2431 -6.1251 -6.1131 1.0619 1.0709 1.2183 1.2216 1.5577 1.5600 2.1749 2.1805 2.2695 2.2828 2.3705 2.3758 2.4917 2.4921 2.5280 2.5406 2.8044 2.8148 2.8230 2.8395 3.1411 3.1585 3.2601 3.2819 3.8147 3.8148 4.0502 4.1237 4.1268 4.1660 4.1688 4.1766 4.2846 4.2913 4.2987 4.3363 4.4379 4.5658 4.6086 4.6354 4.7422 4.7767 4.7985 4.8439 4.9364 4.9660 5.0570 5.1153 5.5020 5.5640 5.5721 5.5784 5.9501 5.9595 8.3801 8.3824 8.3950 8.4362 8.5450 8.5499 9.0020 9.0695 9.1043 9.1065 10.7027 10.7074 11.7263 11.7366 k = 0.3537 0.3537-0.0000 ( 6286 PWs) bands (ev): -48.6178 -48.6178 -26.2772 -26.2772 -24.2062 -24.2062 -24.2041 -24.2041 -6.6851 -6.6846 -6.2724 -6.2643 -6.2411 -6.2357 -6.1187 -6.1065 1.0424 1.0514 1.1948 1.1982 1.5853 1.5880 2.1469 2.1521 2.2660 2.2801 2.3710 2.3749 2.4892 2.4904 2.5400 2.5541 2.8075 2.8265 2.8428 2.8704 3.1523 3.1704 3.2827 3.3060 3.8111 3.8118 4.0448 4.1224 4.1276 4.1542 4.1609 4.1750 4.2800 4.2885 4.3009 4.3387 4.4567 4.5818 4.6017 4.6230 4.7385 4.7673 4.7995 4.8414 4.9457 4.9749 5.0773 5.1353 5.4962 5.5594 5.5843 5.5883 5.9362 5.9458 8.3671 8.3687 8.3839 8.4238 8.5488 8.5539 8.9762 9.0473 9.0872 9.0895 10.6299 10.6344 11.7828 11.7947 k = 0.3415 0.3415-0.0000 ( 6286 PWs) bands (ev): -48.6178 -48.6178 -26.2771 -26.2771 -24.2061 -24.2061 -24.2041 -24.2041 -6.7068 -6.7062 -6.2648 -6.2566 -6.2336 -6.2280 -6.1124 -6.1002 1.0222 1.0311 1.1699 1.1734 1.6135 1.6165 2.1190 2.1238 2.2625 2.2772 2.3708 2.3731 2.4892 2.4920 2.5529 2.5685 2.8097 2.8302 2.8724 2.9019 3.1637 3.1825 3.3048 3.3294 3.8071 3.8087 4.0397 4.1209 4.1288 4.1408 4.1520 4.1737 4.2769 4.2864 4.3042 4.3415 4.4760 4.5774 4.6109 4.6154 4.7350 4.7574 4.8006 4.8380 4.9550 4.9830 5.0988 5.1555 5.4867 5.5504 5.5981 5.5998 5.9256 5.9355 8.3517 8.3576 8.3731 8.4109 8.5526 8.5578 8.9498 9.0236 9.0684 9.0706 10.5554 10.5597 11.8343 11.8474 k = 0.3293 0.3293-0.0000 ( 6284 PWs) bands (ev): -48.6178 -48.6178 -26.2771 -26.2771 -24.2059 -24.2059 -24.2040 -24.2040 -6.7286 -6.7281 -6.2569 -6.2486 -6.2257 -6.2200 -6.1065 -6.0942 1.0013 1.0101 1.1438 1.1474 1.6420 1.6454 2.0915 2.0958 2.2590 2.2743 2.3695 2.3702 2.4925 2.4967 2.5666 2.5836 2.8122 2.8342 2.9024 2.9335 3.1753 3.1946 3.3262 3.3518 3.8027 3.8052 4.0352 4.1179 4.1237 4.1329 4.1434 4.1728 4.2756 4.2850 4.3086 4.3449 4.4956 4.5662 4.5991 4.6359 4.7313 4.7472 4.8019 4.8341 4.9640 4.9899 5.1216 5.1760 5.4732 5.5371 5.6129 5.6133 5.9187 5.9290 8.3363 8.3470 8.3627 8.3978 8.5563 8.5617 8.9227 8.9986 9.0479 9.0499 10.4794 10.4835 11.8793 11.8934 k = 0.3171 0.3171-0.0000 ( 6296 PWs) bands (ev): -48.6178 -48.6178 -26.2770 -26.2770 -24.2058 -24.2058 -24.2040 -24.2040 -6.7506 -6.7501 -6.2486 -6.2403 -6.2175 -6.2118 -6.1008 -6.0886 0.9799 0.9884 1.1167 1.1204 1.6707 1.6742 2.0647 2.0683 2.2556 2.2714 2.3664 2.3669 2.4992 2.5044 2.5810 2.5995 2.8150 2.8384 2.9327 2.9653 3.1870 3.2067 3.3466 3.3732 3.7980 3.8012 4.0313 4.1079 4.1107 4.1353 4.1380 4.1724 4.2760 4.2842 4.3137 4.3487 4.5151 4.5546 4.5877 4.6567 4.7272 4.7364 4.8035 4.8302 4.9724 4.9957 5.1458 5.1971 5.4559 5.5196 5.6276 5.6299 5.9152 5.9261 8.3213 8.3368 8.3529 8.3847 8.5597 8.5653 8.8950 8.9725 9.0257 9.0274 10.4020 10.4059 11.9172 11.9315 k = 0.3049 0.3049-0.0000 ( 6296 PWs) bands (ev): -48.6178 -48.6178 -26.2769 -26.2769 -24.2057 -24.2057 -24.2039 -24.2039 -6.7726 -6.7721 -6.2400 -6.2317 -6.2090 -6.2033 -6.0956 -6.0835 0.9580 0.9663 1.0888 1.0925 1.6992 1.7029 2.0387 2.0417 2.2523 2.2685 2.3615 2.3630 2.5093 2.5150 2.5961 2.6161 2.8182 2.8429 2.9632 2.9970 3.1986 3.2187 3.3660 3.3933 3.7930 3.7968 4.0280 4.0905 4.0988 4.1368 4.1390 4.1725 4.2780 4.2841 4.3197 4.3529 4.5340 4.5433 4.5772 4.6772 4.7224 4.7253 4.8054 4.8265 4.9801 5.0002 5.1715 5.2190 5.4353 5.4986 5.6440 5.6477 5.9150 5.9264 8.3066 8.3272 8.3438 8.3718 8.5627 8.5685 8.8669 8.9454 9.0020 9.0032 10.3234 10.3271 11.9476 11.9615 k = 0.2927 0.2927-0.0000 ( 6292 PWs) bands (ev): -48.6178 -48.6178 -26.2769 -26.2769 -24.2055 -24.2055 -24.2039 -24.2039 -6.7945 -6.7939 -6.2312 -6.2229 -6.2003 -6.1947 -6.0906 -6.0788 0.9358 0.9437 1.0602 1.0639 1.7271 1.7307 2.0141 2.0162 2.2491 2.2656 2.3559 2.3580 2.5223 2.5280 2.6119 2.6332 2.8217 2.8475 2.9939 3.0286 3.2103 3.2306 3.3843 3.4119 3.7878 3.7918 4.0252 4.0720 4.0847 4.1380 4.1437 4.1734 4.2816 4.2846 4.3265 4.3574 4.5323 4.5500 4.5698 4.6970 4.7139 4.7169 4.8078 4.8235 4.9871 5.0037 5.1986 5.2419 5.4120 5.4747 5.6616 5.6665 5.9174 5.9293 8.2924 8.3181 8.3355 8.3595 8.5651 8.5710 8.8385 8.9174 8.9768 8.9774 10.2437 10.2473 11.9709 11.9833 k = 0.2805 0.2805-0.0000 ( 6278 PWs) bands (ev): -48.6178 -48.6178 -26.2768 -26.2768 -24.2054 -24.2054 -24.2038 -24.2038 -6.8161 -6.8156 -6.2222 -6.2139 -6.1914 -6.1860 -6.0861 -6.0745 0.9132 0.9208 1.0310 1.0348 1.7539 1.7572 1.9915 1.9926 2.2460 2.2628 2.3496 2.3521 2.5379 2.5433 2.6282 2.6508 2.8256 2.8523 3.0246 3.0599 3.2218 3.2423 3.4012 3.4291 3.7822 3.7861 4.0216 4.0529 4.0708 4.1406 4.1491 4.1754 4.2857 4.2867 4.3339 4.3622 4.5219 4.5508 4.5774 4.7019 4.7104 4.7164 4.8106 4.8214 4.9931 5.0061 5.2273 5.2659 5.3867 5.4486 5.6804 5.6862 5.9219 5.9342 8.2790 8.3095 8.3280 8.3481 8.5668 8.5728 8.8099 8.8886 8.9502 8.9502 10.1630 10.1665 11.9879 11.9970 k = 0.2683 0.2683-0.0000 ( 6286 PWs) bands (ev): -48.6178 -48.6178 -26.2767 -26.2767 -24.2052 -24.2052 -24.2038 -24.2038 -6.8375 -6.8370 -6.2131 -6.2048 -6.1824 -6.1771 -6.0819 -6.0707 0.8905 0.8977 1.0015 1.0052 1.7785 1.7810 1.9717 1.9720 2.2430 2.2599 2.3428 2.3454 2.5556 2.5605 2.6450 2.6688 2.8297 2.8572 3.0551 3.0908 3.2333 3.2538 3.4168 3.4446 3.7763 3.7796 4.0147 4.0329 4.0607 4.1439 4.1550 4.1785 4.2874 4.2929 4.3418 4.3671 4.5119 4.5425 4.5936 4.6900 4.7032 4.7344 4.8141 4.8204 4.9982 5.0076 5.2574 5.2909 5.3604 5.4211 5.7000 5.7065 5.9279 5.9404 8.2662 8.3011 8.3214 8.3377 8.5675 8.5737 8.7810 8.8592 8.9218 8.9225 10.0815 10.0848 11.9998 12.0054 k = 0.2561 0.2561-0.0000 ( 6286 PWs) bands (ev): -48.6178 -48.6178 -26.2767 -26.2767 -24.2051 -24.2051 -24.2037 -24.2037 -6.8585 -6.8580 -6.2038 -6.1956 -6.1733 -6.1682 -6.0781 -6.0672 0.8678 0.8746 0.9718 0.9755 1.7990 1.8002 1.9553 1.9575 2.2401 2.2572 2.3357 2.3382 2.5751 2.5792 2.6621 2.6871 2.8342 2.8623 3.0856 3.1213 3.2446 3.2652 3.4310 3.4585 3.7700 3.7724 4.0020 4.0124 4.0573 4.1479 4.1612 4.1832 4.2896 4.3003 4.3503 4.3721 4.5027 4.5334 4.6098 4.6778 4.6956 4.7512 4.8184 4.8206 5.0023 5.0084 5.2887 5.3132 5.3376 5.3930 5.7202 5.7273 5.9348 5.9474 8.2544 8.2929 8.3158 8.3288 8.5672 8.5735 8.7521 8.8292 8.8922 8.8938 9.9992 10.0025 12.0081 12.0125 k = 0.2439 0.2439-0.0000 ( 6290 PWs) bands (ev): -48.6178 -48.6178 -26.2766 -26.2766 -24.2049 -24.2049 -24.2037 -24.2037 -6.8790 -6.8786 -6.1945 -6.1864 -6.1641 -6.1592 -6.0747 -6.0642 0.8452 0.8515 0.9421 0.9457 1.8118 1.8123 1.9466 1.9511 2.2374 2.2545 2.3284 2.3307 2.5959 2.5991 2.6796 2.7055 2.8388 2.8673 3.1157 3.1511 3.2558 3.2763 3.4437 3.4706 3.7633 3.7644 3.9844 3.9912 4.0600 4.1524 4.1674 4.1899 4.2923 4.3088 4.3591 4.3769 4.4942 4.5245 4.6239 4.6656 4.6888 4.7664 4.8219 4.8236 5.0055 5.0085 5.3000 5.3196 5.3517 5.3664 5.7407 5.7483 5.9423 5.9548 8.2435 8.2847 8.3110 8.3215 8.5657 8.5721 8.7233 8.7990 8.8618 8.8644 9.9162 9.9195 12.0138 12.0193 k = 0.2317 0.2317-0.0000 ( 6292 PWs) bands (ev): -48.6179 -48.6179 -26.2765 -26.2765 -24.2048 -24.2048 -24.2036 -24.2036 -6.8990 -6.8986 -6.1852 -6.1772 -6.1549 -6.1503 -6.0716 -6.0616 0.8227 0.8287 0.9125 0.9161 1.8134 1.8154 1.9484 1.9550 2.2348 2.2518 2.3209 2.3229 2.6178 2.6200 2.6972 2.7240 2.8437 2.8724 3.1453 3.1801 3.2670 3.2872 3.4550 3.4812 3.7556 3.7563 3.9640 3.9697 4.0668 4.1574 4.1733 4.1987 4.2955 4.3182 4.3683 4.3814 4.4867 4.5160 4.6336 4.6535 4.6854 4.7798 4.8244 4.8302 5.0080 5.0083 5.2731 5.3261 5.3655 5.3812 5.7612 5.7692 5.9500 5.9621 8.2337 8.2767 8.3071 8.3158 8.5629 8.5694 8.6947 8.7686 8.8308 8.8344 9.8327 9.8359 12.0178 12.0242 k = 0.2195 0.2195-0.0000 ( 6296 PWs) bands (ev): -48.6179 -48.6179 -26.2764 -26.2764 -24.2046 -24.2046 -24.2036 -24.2036 -6.9184 -6.9180 -6.1760 -6.1682 -6.1457 -6.1414 -6.0688 -6.0593 0.8007 0.8062 0.8833 0.8868 1.8062 1.8089 1.9601 1.9679 2.2324 2.2493 2.3133 2.3149 2.6404 2.6416 2.7149 2.7424 2.8488 2.8775 3.1745 3.2083 3.2781 3.2981 3.4649 3.4901 3.7462 3.7488 3.9421 3.9477 4.0763 4.1629 4.1790 4.2096 4.2992 4.3283 4.3776 4.3854 4.4803 4.5080 4.6352 4.6414 4.6890 4.7911 4.8277 4.8383 5.0078 5.0097 5.2456 5.3007 5.3981 5.4134 5.7814 5.7899 5.9575 5.9691 8.2251 8.2690 8.3041 8.3117 8.5588 8.5653 8.6665 8.7382 8.7993 8.8042 9.7487 9.7520 12.0208 12.0262 k = 0.2073 0.2073-0.0000 ( 6304 PWs) bands (ev): -48.6179 -48.6179 -26.2764 -26.2764 -24.2045 -24.2045 -24.2035 -24.2035 -6.9371 -6.9368 -6.1669 -6.1593 -6.1367 -6.1327 -6.0663 -6.0573 0.7790 0.7842 0.8546 0.8580 1.7935 1.7963 1.9782 1.9864 2.2301 2.2468 2.3057 2.3069 2.6634 2.6636 2.7325 2.7605 2.8541 2.8825 3.2029 3.2355 3.2893 3.3088 3.4734 3.4976 3.7361 3.7408 3.9193 3.9253 4.0880 4.1689 4.1847 4.2220 4.3034 4.3392 4.3870 4.3885 4.4754 4.5004 4.6294 4.6295 4.6991 4.8002 4.8319 4.8480 5.0072 5.0108 5.2186 5.2725 5.4352 5.4475 5.8012 5.8101 5.9648 5.9757 8.2177 8.2618 8.3019 8.3090 8.5531 8.5597 8.6388 8.7080 8.7678 8.7738 9.6645 9.6678 12.0237 12.0276 k = 0.1951 0.1951-0.0000 ( 6310 PWs) bands (ev): -48.6180 -48.6180 -26.2763 -26.2763 -24.2043 -24.2043 -24.2035 -24.2035 -6.9551 -6.9548 -6.1579 -6.1506 -6.1278 -6.1241 -6.0640 -6.0557 0.7580 0.7628 0.8265 0.8299 1.7783 1.7808 1.9992 2.0075 2.2279 2.2444 2.2982 2.2990 2.6858 2.6865 2.7501 2.7783 2.8595 2.8874 3.2306 3.2616 3.3005 3.3195 3.4807 3.5036 3.7253 3.7322 3.8959 3.9027 4.1015 4.1754 4.1903 4.2360 4.3081 4.3504 4.3904 4.3963 4.4721 4.4933 4.6177 4.6198 4.7127 4.8075 4.8368 4.8588 5.0066 5.0114 5.1923 5.2445 5.4739 5.4832 5.8203 5.8297 5.9716 5.9815 8.2116 8.2554 8.3006 8.3075 8.5460 8.5526 8.6119 8.6784 8.7363 8.7437 9.5800 9.5835 12.0268 12.0293 k = 0.1829 0.1829-0.0000 ( 6304 PWs) bands (ev): -48.6179 -48.6179 -26.2762 -26.2762 -24.2042 -24.2042 -24.2034 -24.2034 -6.9722 -6.9720 -6.1492 -6.1422 -6.1190 -6.1157 -6.0619 -6.0543 0.7377 0.7422 0.7993 0.8025 1.7621 1.7642 2.0213 2.0295 2.2259 2.2420 2.2908 2.2912 2.7079 2.7096 2.7674 2.7955 2.8650 2.8922 3.2573 3.2865 3.3119 3.3303 3.4868 3.5084 3.7142 3.7232 3.8721 3.8798 4.1163 4.1825 4.1961 4.2510 4.3131 4.3618 4.3912 4.4054 4.4708 4.4868 4.6063 4.6086 4.7276 4.8136 4.8422 4.8705 5.0061 5.0115 5.1672 5.2171 5.5139 5.5204 5.8386 5.8484 5.9778 5.9867 8.2070 8.2501 8.3000 8.3071 8.5373 8.5439 8.5860 8.6494 8.7051 8.7140 9.4956 9.4992 12.0306 12.0318 k = 0.1707 0.1707-0.0000 ( 6296 PWs) bands (ev): -48.6179 -48.6179 -26.2762 -26.2762 -24.2041 -24.2040 -24.2034 -24.2034 -6.9886 -6.9884 -6.1408 -6.1342 -6.1106 -6.1075 -6.0600 -6.0531 0.7183 0.7223 0.7730 0.7761 1.7458 1.7476 2.0436 2.0516 2.2240 2.2398 2.2836 2.2837 2.7298 2.7323 2.7844 2.8122 2.8707 2.8967 3.2829 3.3101 3.3236 3.3414 3.4918 3.5121 3.7028 3.7137 3.8481 3.8568 4.1319 4.1902 4.2020 4.2667 4.3185 4.3728 4.3912 4.4141 4.4713 4.4809 4.5951 4.5966 4.7432 4.8187 4.8481 4.8823 5.0058 5.0113 5.1433 5.1905 5.5548 5.5588 5.8557 5.8661 5.9835 5.9911 8.2039 8.2459 8.3001 8.3075 8.5271 8.5333 8.5616 8.6213 8.6745 8.6849 9.4115 9.4153 12.0353 12.0354 k = 0.1585 0.1585-0.0000 ( 6296 PWs) bands (ev): -48.6179 -48.6179 -26.2761 -26.2761 -24.2039 -24.2039 -24.2033 -24.2033 -7.0040 -7.0039 -6.1327 -6.1266 -6.1024 -6.0997 -6.0583 -6.0521 0.6997 0.7034 0.7479 0.7507 1.7298 1.7314 2.0653 2.0730 2.2222 2.2376 2.2763 2.2768 2.7511 2.7544 2.8009 2.8279 2.8764 2.9011 3.3074 3.3320 3.3357 3.3529 3.4959 3.5148 3.6911 3.7038 3.8240 3.8337 4.1478 4.1988 4.2080 4.2829 4.3242 4.3810 4.3926 4.4221 4.4734 4.4755 4.5842 4.5845 4.7589 4.8233 4.8543 4.8941 5.0057 5.0106 5.1210 5.1649 5.5962 5.5981 5.8715 5.8825 5.9886 5.9949 8.2025 8.2432 8.3009 8.3088 8.5155 8.5203 8.5395 8.5944 8.6447 8.6567 9.3280 9.3318 12.0402 12.0411 k = 0.1463 0.1463-0.0000 ( 6302 PWs) bands (ev): -48.6180 -48.6180 -26.2761 -26.2761 -24.2038 -24.2038 -24.2033 -24.2033 -7.0185 -7.0184 -6.1250 -6.1195 -6.0946 -6.0921 -6.0567 -6.0512 0.6821 0.6855 0.7239 0.7267 1.7146 1.7158 2.0861 2.0936 2.2206 2.2355 2.2694 2.2704 2.7717 2.7757 2.8169 2.8427 2.8822 2.9053 3.3303 3.3485 3.3518 3.3654 3.4993 3.5166 3.6792 3.6934 3.8000 3.8105 4.1637 4.2083 4.2139 4.2991 4.3302 4.3817 4.4003 4.4292 4.4709 4.4768 4.5724 4.5735 4.7745 4.8274 4.8610 4.9057 5.0058 5.0094 5.1006 5.1407 5.6379 5.6380 5.8860 5.8974 5.9931 5.9980 8.2030 8.2421 8.3022 8.3108 8.5026 8.5041 8.5210 8.5688 8.6159 8.6295 9.2452 9.2492 12.0463 12.0480 k = 0.1341 0.1341-0.0000 ( 6302 PWs) bands (ev): -48.6180 -48.6180 -26.2760 -26.2760 -24.2037 -24.2037 -24.2033 -24.2033 -7.0320 -7.0319 -6.1178 -6.1129 -6.0872 -6.0850 -6.0551 -6.0505 0.6657 0.6687 0.7014 0.7040 1.7002 1.7012 2.1058 2.1129 2.2191 2.2334 2.2629 2.2643 2.7913 2.7959 2.8324 2.8565 2.8882 2.9092 3.3511 3.3628 3.3684 3.3801 3.5019 3.5178 3.6673 3.6826 3.7761 3.7873 4.1789 4.2190 4.2198 4.3151 4.3364 4.3789 4.4105 4.4351 4.4672 4.4809 4.5607 4.5631 4.7897 4.8311 4.8680 4.9169 5.0060 5.0076 5.0825 5.1179 5.6780 5.6794 5.8988 5.9108 5.9973 6.0007 8.2054 8.2428 8.3042 8.3133 8.4856 8.4886 8.5054 8.5447 8.5882 8.6035 9.1638 9.1678 12.0536 12.0561 k = 0.1220 0.1220-0.0000 ( 6302 PWs) bands (ev): -48.6180 -48.6180 -26.2760 -26.2760 -24.2036 -24.2036 -24.2032 -24.2032 -7.0445 -7.0444 -6.1112 -6.1070 -6.0802 -6.0783 -6.0536 -6.0498 0.6504 0.6531 0.6804 0.6828 1.6869 1.6876 2.1242 2.1308 2.2176 2.2313 2.2570 2.2588 2.8098 2.8148 2.8472 2.8690 2.8943 2.9128 3.3685 3.3796 3.3822 3.3968 3.5039 3.5184 3.6553 3.6715 3.7525 3.7643 4.1930 4.2257 4.2310 4.3304 4.3427 4.3752 4.4206 4.4395 4.4644 4.4856 4.5496 4.5530 4.8041 4.8344 4.8755 4.9275 5.0049 5.0061 5.0671 5.0969 5.7177 5.7203 5.9100 5.9223 6.0012 6.0032 8.2099 8.2455 8.3068 8.3164 8.4669 8.4738 8.4909 8.5222 8.5618 8.5789 9.0839 9.0880 12.0622 12.0652 k = 0.1098 0.1098-0.0000 ( 6298 PWs) bands (ev): -48.6179 -48.6179 -26.2759 -26.2759 -24.2035 -24.2035 -24.2032 -24.2032 -7.0558 -7.0558 -6.1051 -6.1016 -6.0738 -6.0721 -6.0522 -6.0492 0.6364 0.6388 0.6611 0.6632 1.6746 1.6751 2.1411 2.1473 2.2163 2.2292 2.2518 2.2539 2.8269 2.8322 2.8613 2.8802 2.9007 2.9162 3.3837 3.3950 3.3980 3.4134 3.5055 3.5185 3.6435 3.6601 3.7292 3.7414 4.2057 4.2313 4.2443 4.3447 4.3491 4.3714 4.4300 4.4421 4.4628 4.4904 4.5394 4.5432 4.8168 4.8374 4.8838 4.9376 5.0010 5.0059 5.0551 5.0782 5.7565 5.7599 5.9195 5.9320 6.0049 6.0056 8.2168 8.2505 8.3099 8.3200 8.4494 8.4586 8.4768 8.5013 8.5367 8.5557 9.0062 9.0101 12.0717 12.0752 k = 0.0976 0.0976-0.0000 ( 6293 PWs) bands (ev): -48.6179 -48.6179 -26.2759 -26.2759 -24.2034 -24.2034 -24.2031 -24.2031 -7.0661 -7.0661 -6.0997 -6.0969 -6.0678 -6.0665 -6.0508 -6.0486 0.6237 0.6258 0.6434 0.6454 1.6634 1.6638 2.1563 2.1620 2.2151 2.2270 2.2474 2.2496 2.8423 2.8476 2.8746 2.8903 2.9072 2.9193 3.3984 3.4078 3.4163 3.4293 3.5068 3.5183 3.6319 3.6485 3.7064 3.7187 4.2171 4.2368 4.2586 4.3547 4.3582 4.3677 4.4386 4.4434 4.4618 4.4951 4.5306 4.5336 4.8274 4.8400 4.8932 4.9468 4.9958 5.0050 5.0466 5.0624 5.7938 5.7976 5.9273 5.9396 6.0084 6.0087 8.2261 8.2577 8.3136 8.3239 8.4334 8.4434 8.4631 8.4821 8.5133 8.5341 8.9310 8.9347 12.0821 12.0858 k = 0.0854 0.0854-0.0000 ( 6293 PWs) bands (ev): -48.6179 -48.6179 -26.2758 -26.2758 -24.2033 -24.2033 -24.2031 -24.2031 -7.0753 -7.0752 -6.0949 -6.0929 -6.0625 -6.0613 -6.0494 -6.0480 0.6124 0.6142 0.6277 0.6294 1.6535 1.6537 2.1698 2.1749 2.2139 2.2246 2.2440 2.2461 2.8559 2.8608 2.8870 2.8994 2.9135 2.9222 3.4133 3.4209 3.4337 3.4443 3.5078 3.5179 3.6205 3.6368 3.6840 3.6963 4.2274 4.2420 4.2733 4.3604 4.3644 4.3693 4.4441 4.4461 4.4605 4.4995 4.5236 4.5242 4.8352 4.8420 4.9038 4.9550 4.9898 5.0025 5.0413 5.0502 5.8287 5.8327 5.9336 5.9453 6.0116 6.0125 8.2379 8.2676 8.3178 8.3282 8.4190 8.4286 8.4503 8.4647 8.4914 8.5140 8.8589 8.8623 12.0928 12.0967 k = 0.0732 0.0732-0.0000 ( 6301 PWs) bands (ev): -48.6180 -48.6180 -26.2758 -26.2758 -24.2032 -24.2032 -24.2031 -24.2031 -7.0832 -7.0832 -6.0908 -6.0894 -6.0578 -6.0568 -6.0481 -6.0473 0.6025 0.6040 0.6138 0.6153 1.6447 1.6449 2.1815 2.1858 2.2128 2.2222 2.2415 2.2434 2.8676 2.8717 2.8985 2.9079 2.9195 2.9249 3.4285 3.4343 3.4501 3.4581 3.5087 3.5174 3.6094 3.6251 3.6622 3.6743 4.2365 4.2468 4.2879 4.3617 4.3652 4.3782 4.4451 4.4525 4.4584 4.5031 4.5154 4.5187 4.8402 4.8434 4.9152 4.9620 4.9839 4.9979 5.0383 5.0423 5.8605 5.8643 5.9385 5.9491 6.0154 6.0166 8.2525 8.2800 8.3226 8.3326 8.4065 8.4147 8.4386 8.4492 8.4714 8.4955 8.7905 8.7934 12.1037 12.1075 k = 0.0610 0.0610-0.0000 ( 6301 PWs) bands (ev): -48.6180 -48.6180 -26.2758 -26.2758 -24.2032 -24.2032 -24.2031 -24.2031 -7.0900 -7.0900 -6.0875 -6.0866 -6.0538 -6.0530 -6.0469 -6.0466 0.5940 0.5953 0.6020 0.6033 1.6373 1.6374 2.1911 2.1947 2.2119 2.2197 2.2401 2.2415 2.8772 2.8802 2.9087 2.9157 2.9247 2.9274 3.4439 3.4480 3.4655 3.4710 3.5096 3.5169 3.5987 3.6134 3.6411 3.6528 4.2446 4.2512 4.3023 4.3598 4.3687 4.3843 4.4468 4.4559 4.4577 4.5031 4.5097 4.5158 4.8431 4.8442 4.9269 4.9675 4.9787 4.9918 5.0369 5.0383 5.8883 5.8917 5.9422 5.9515 6.0200 6.0211 8.2696 8.2951 8.3280 8.3372 8.3957 8.4019 8.4286 8.4360 8.4532 8.4786 8.7263 8.7286 12.1142 12.1177 k = 0.0488 0.0488-0.0000 ( 6303 PWs) bands (ev): -48.6180 -48.6180 -26.2757 -26.2757 -24.2031 -24.2031 -24.2031 -24.2031 -7.0956 -7.0956 -6.0849 -6.0844 -6.0504 -6.0498 -6.0459 -6.0459 0.5871 0.5881 0.5923 0.5933 1.6312 1.6312 2.1987 2.2015 2.2112 2.2173 2.2396 2.2405 2.8848 2.8866 2.9176 2.9227 2.9290 2.9297 3.4593 3.4617 3.4799 3.4828 3.5106 3.5165 3.5887 3.6019 3.6210 3.6319 4.2514 4.2552 4.3163 4.3588 4.3706 4.3871 4.4491 4.4544 4.4616 4.4958 4.5108 4.5145 4.8442 4.8445 4.9382 4.9716 4.9745 4.9853 5.0364 5.0367 5.9113 5.9141 5.9450 5.9526 6.0251 6.0259 8.2891 8.3126 8.3340 8.3419 8.3867 8.3903 8.4210 8.4255 8.4373 8.4634 8.6670 8.6686 12.1238 12.1269 k = 0.0366 0.0366-0.0000 ( 6309 PWs) bands (ev): -48.6180 -48.6180 -26.2757 -26.2757 -24.2031 -24.2031 -24.2030 -24.2030 -7.1000 -7.1000 -6.0829 -6.0827 -6.0477 -6.0473 -6.0453 -6.0451 0.5817 0.5825 0.5846 0.5854 1.6264 1.6264 2.2043 2.2063 2.2106 2.2151 2.2398 2.2402 2.8905 2.8913 2.9249 2.9285 2.9318 2.9323 3.4738 3.4750 3.4933 3.4937 3.5121 3.5167 3.5796 3.5908 3.6020 3.6119 4.2568 4.2585 4.3295 4.3589 4.3709 4.3861 4.4509 4.4558 4.4642 4.4875 4.5126 4.5142 4.8444 4.8444 4.9485 4.9716 4.9738 4.9797 5.0364 5.0365 5.9290 5.9310 5.9470 5.9529 6.0304 6.0308 8.3101 8.3311 8.3406 8.3468 8.3792 8.3802 8.4160 8.4186 8.4244 8.4499 8.6134 8.6143 12.1321 12.1346 k = 0.0244 0.0244-0.0000 ( 6305 PWs) bands (ev): -48.6180 -48.6180 -26.2757 -26.2757 -24.2030 -24.2030 -24.2030 -24.2030 -7.1031 -7.1031 -6.0816 -6.0815 -6.0458 -6.0455 -6.0447 -6.0445 0.5779 0.5784 0.5792 0.5797 1.6230 1.6230 2.2080 2.2092 2.2104 2.2133 2.2404 2.2405 2.8943 2.8945 2.9304 2.9327 2.9336 2.9344 3.4860 3.4865 3.5038 3.5055 3.5143 3.5176 3.5721 3.5807 3.5850 3.5932 4.2606 4.2611 4.3422 4.3601 4.3697 4.3816 4.4536 4.4589 4.4655 4.4792 4.5139 4.5144 4.8441 4.8441 4.9574 4.9698 4.9739 4.9755 5.0367 5.0367 5.9413 5.9426 5.9487 5.9526 6.0351 6.0353 8.3308 8.3457 8.3477 8.3541 8.3716 8.3730 8.4139 8.4164 8.4170 8.4382 8.5672 8.5675 12.1386 12.1404 k = 0.0122 0.0122-0.0000 ( 6317 PWs) bands (ev): -48.6181 -48.6181 -26.2757 -26.2757 -24.2030 -24.2030 -24.2030 -24.2030 -7.1050 -7.1050 -6.0808 -6.0808 -6.0446 -6.0444 -6.0443 -6.0442 0.5756 0.5759 0.5760 0.5763 1.6209 1.6209 2.2100 2.2105 2.2107 2.2119 2.2408 2.2408 2.8964 2.8965 2.9340 2.9350 2.9351 2.9356 3.4937 3.4937 3.5134 3.5157 3.5173 3.5191 3.5674 3.5721 3.5724 3.5774 4.2628 4.2629 4.3539 4.3621 4.3674 4.3741 4.4582 4.4620 4.4655 4.4714 4.5146 4.5147 4.8438 4.8438 4.9645 4.9693 4.9716 4.9733 5.0369 5.0370 5.9485 5.9491 5.9500 5.9519 6.0385 6.0385 8.3477 8.3523 8.3548 8.3618 8.3646 8.3673 8.4159 8.4173 8.4191 8.4286 8.5320 8.5320 12.1431 12.1452 k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -48.6183 -48.6183 -26.2757 -26.2757 -24.2030 -24.2030 -24.2030 -24.2030 -7.1056 -7.1056 -6.0806 -6.0806 -6.0441 -6.0441 -6.0441 -6.0441 0.5750 0.5750 0.5750 0.5750 1.6202 1.6202 2.2108 2.2108 2.2108 2.2108 2.2409 2.2409 2.8971 2.8971 2.9356 2.9356 2.9356 2.9356 3.4961 3.4961 3.5193 3.5193 3.5193 3.5193 3.5679 3.5679 3.5679 3.5679 4.2635 4.2635 4.3645 4.3645 4.3645 4.3645 4.4642 4.4642 4.4642 4.4642 4.5148 4.5148 4.8437 4.8437 4.9698 4.9698 4.9698 4.9698 5.0371 5.0371 5.9510 5.9510 5.9510 5.9510 6.0396 6.0396 8.3559 8.3559 8.3612 8.3612 8.3612 8.3612 8.4212 8.4212 8.4212 8.4212 8.5174 8.5174 12.1446 12.1446 k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -48.6183 -48.6183 -26.2757 -26.2757 -24.2030 -24.2030 -24.2030 -24.2030 -7.1056 -7.1056 -6.0806 -6.0806 -6.0441 -6.0441 -6.0441 -6.0441 0.5750 0.5750 0.5750 0.5750 1.6202 1.6202 2.2108 2.2108 2.2108 2.2108 2.2409 2.2409 2.8971 2.8971 2.9356 2.9356 2.9356 2.9356 3.4961 3.4961 3.5193 3.5193 3.5193 3.5193 3.5679 3.5679 3.5679 3.5679 4.2635 4.2635 4.3645 4.3645 4.3645 4.3645 4.4642 4.4642 4.4642 4.4642 4.5148 4.5148 4.8437 4.8437 4.9698 4.9698 4.9698 4.9698 5.0371 5.0371 5.9510 5.9510 5.9510 5.9510 6.0396 6.0396 8.3559 8.3559 8.3612 8.3612 8.3612 8.3612 8.4212 8.4212 8.4212 8.4212 8.5174 8.5174 12.1446 12.1446 k = 0.0100 0.0100 0.0100 ( 6316 PWs) bands (ev): -48.6181 -48.6181 -26.2757 -26.2757 -24.2030 -24.2030 -24.2030 -24.2030 -7.1050 -7.1050 -6.0808 -6.0808 -6.0445 -6.0444 -6.0444 -6.0443 0.5758 0.5760 0.5760 0.5762 1.6209 1.6209 2.2103 2.2104 2.2104 2.2119 2.2408 2.2408 2.8964 2.8964 2.9340 2.9351 2.9351 2.9354 3.4938 3.4938 3.5136 3.5168 3.5173 3.5173 3.5686 3.5721 3.5721 3.5769 4.2628 4.2628 4.3535 4.3648 4.3648 4.3745 4.4580 4.4636 4.4636 4.4717 4.5146 4.5146 4.8438 4.8438 4.9642 4.9706 4.9706 4.9733 5.0370 5.0370 5.9487 5.9487 5.9500 5.9521 6.0385 6.0385 8.3499 8.3499 8.3551 8.3630 8.3630 8.3673 8.4167 8.4176 8.4176 8.4291 8.5321 8.5321 12.1436 12.1445 k = 0.0200 0.0200 0.0200 ( 6310 PWs) bands (ev): -48.6180 -48.6180 -26.2757 -26.2757 -24.2030 -24.2030 -24.2030 -24.2030 -7.1031 -7.1031 -6.0815 -6.0815 -6.0454 -6.0451 -6.0451 -6.0450 0.5784 0.5788 0.5788 0.5793 1.6230 1.6230 2.2088 2.2088 2.2099 2.2133 2.2404 2.2404 2.8944 2.8944 2.9306 2.9333 2.9335 2.9335 3.4874 3.4874 3.5039 3.5071 3.5128 3.5128 3.5778 3.5823 3.5823 3.5911 4.2609 4.2609 4.3412 4.3651 4.3651 4.3819 4.4539 4.4618 4.4618 4.4800 4.5141 4.5141 4.8441 4.8441 4.9565 4.9727 4.9727 4.9746 5.0367 5.0367 5.9415 5.9415 5.9489 5.9531 6.0352 6.0352 8.3378 8.3378 8.3497 8.3616 8.3616 8.3719 8.4157 8.4157 8.4170 8.4396 8.5676 8.5676 12.1420 12.1440 k = 0.0300 0.0300 0.0300 ( 6310 PWs) bands (ev): -48.6180 -48.6180 -26.2757 -26.2757 -24.2031 -24.2031 -24.2031 -24.2031 -7.0999 -7.0999 -6.0828 -6.0828 -6.0469 -6.0463 -6.0463 -6.0462 0.5831 0.5836 0.5836 0.5843 1.6264 1.6264 2.2058 2.2058 2.2099 2.2150 2.2398 2.2398 2.8910 2.8910 2.9254 2.9294 2.9310 2.9310 3.4780 3.4780 3.4931 3.4946 3.5074 3.5074 3.5912 3.5959 3.5959 3.6075 4.2577 4.2577 4.3282 4.3654 4.3654 4.3860 4.4528 4.4587 4.4587 4.4886 4.5133 4.5133 4.8444 4.8444 4.9468 4.9740 4.9764 4.9764 5.0366 5.0366 5.9286 5.9286 5.9477 5.9540 6.0308 6.0308 8.3218 8.3218 8.3452 8.3578 8.3578 8.3739 8.4217 8.4217 8.4230 8.4524 8.6145 8.6145 12.1399 12.1426 k = 0.0400 0.0400 0.0400 ( 6307 PWs) bands (ev): -48.6180 -48.6180 -26.2757 -26.2757 -24.2031 -24.2031 -24.2031 -24.2031 -7.0955 -7.0955 -6.0845 -6.0845 -6.0488 -6.0479 -6.0479 -6.0479 0.5896 0.5903 0.5903 0.5912 1.6313 1.6313 2.2012 2.2012 2.2103 2.2169 2.2395 2.2395 2.8862 2.8862 2.9185 2.9237 2.9276 2.9276 3.4672 3.4672 3.4814 3.4823 3.5012 3.5012 3.6067 3.6112 3.6112 3.6251 4.2534 4.2534 4.3145 4.3654 4.3654 4.3862 4.4546 4.4546 4.4554 4.4975 4.5123 4.5123 4.8443 4.8443 4.9353 4.9714 4.9814 4.9814 5.0370 5.0370 5.9097 5.9097 5.9463 5.9548 6.0261 6.0261 8.3050 8.3050 8.3417 8.3542 8.3542 8.3737 8.4333 8.4333 8.4343 8.4672 8.6687 8.6687 12.1375 12.1411 k = 0.0500 0.0500 0.0500 ( 6313 PWs) bands (ev): -48.6180 -48.6180 -26.2758 -26.2758 -24.2031 -24.2031 -24.2031 -24.2031 -7.0899 -7.0899 -6.0867 -6.0867 -6.0513 -6.0501 -6.0500 -6.0500 0.5979 0.5987 0.5987 0.6000 1.6374 1.6374 2.1947 2.1947 2.2109 2.2192 2.2396 2.2396 2.8799 2.8799 2.9100 2.9161 2.9233 2.9233 3.4558 3.4558 3.4683 3.4717 3.4939 3.4939 3.6234 3.6275 3.6275 3.6433 4.2481 4.2481 4.3003 4.3652 4.3652 4.3828 4.4496 4.4496 4.4612 4.5064 4.5111 4.5111 4.8435 4.8435 4.9223 4.9673 4.9873 4.9873 5.0387 5.0387 5.8847 5.8847 5.9447 5.9552 6.0216 6.0216 8.2897 8.2897 8.3392 8.3515 8.3515 8.3725 8.4485 8.4485 8.4495 8.4840 8.7285 8.7285 12.1345 12.1394 k = 0.0600 0.0600 0.0600 ( 6307 PWs) bands (ev): -48.6180 -48.6180 -26.2758 -26.2758 -24.2032 -24.2032 -24.2032 -24.2032 -7.0830 -7.0830 -6.0893 -6.0893 -6.0542 -6.0529 -6.0526 -6.0526 0.6081 0.6090 0.6090 0.6106 1.6449 1.6449 2.1862 2.1862 2.2119 2.2218 2.2402 2.2402 2.8722 2.8722 2.9000 2.9069 2.9184 2.9184 3.4444 3.4444 3.4556 3.4616 3.4853 3.4853 3.6411 3.6446 3.6446 3.6620 4.2420 4.2420 4.2857 4.3643 4.3643 4.3771 4.4438 4.4438 4.4691 4.5100 4.5100 4.5153 4.8420 4.8420 4.9081 4.9618 4.9932 4.9932 5.0430 5.0430 5.8540 5.8540 5.9429 5.9555 6.0176 6.0176 8.2770 8.2770 8.3375 8.3498 8.3498 8.3712 8.4664 8.4664 8.4675 8.5027 8.7929 8.7929 12.1312 12.1384 k = 0.0700 0.0700 0.0700 ( 6289 PWs) bands (ev): -48.6179 -48.6179 -26.2758 -26.2758 -24.2032 -24.2032 -24.2032 -24.2032 -7.0750 -7.0750 -6.0924 -6.0924 -6.0576 -6.0561 -6.0555 -6.0555 0.6200 0.6210 0.6210 0.6229 1.6536 1.6536 2.1759 2.1759 2.2133 2.2247 2.2414 2.2414 2.8630 2.8630 2.8885 2.8959 2.9129 2.9129 3.4331 3.4331 3.4434 3.4518 3.4752 3.4752 3.6595 3.6620 3.6620 3.6811 4.2352 4.2352 4.2707 4.3627 4.3627 4.3700 4.4375 4.4375 4.4782 4.5089 4.5089 4.5242 4.8395 4.8395 4.8931 4.9554 4.9979 4.9979 5.0513 5.0513 5.8184 5.8184 5.9406 5.9553 6.0138 6.0138 8.2672 8.2672 8.3365 8.3488 8.3488 8.3702 8.4865 8.4865 8.4879 8.5232 8.8610 8.8610 12.1279 12.1352 k = 0.0800 0.0800 0.0800 ( 6292 PWs) bands (ev): -48.6179 -48.6179 -26.2759 -26.2759 -24.2033 -24.2033 -24.2033 -24.2033 -7.0657 -7.0657 -6.0959 -6.0959 -6.0615 -6.0598 -6.0589 -6.0589 0.6336 0.6347 0.6347 0.6370 1.6636 1.6636 2.1637 2.1637 2.2149 2.2278 2.2431 2.2431 2.8523 2.8523 2.8757 2.8834 2.9068 2.9068 3.4220 3.4220 3.4316 3.4425 3.4636 3.4636 3.6785 3.6798 3.6798 3.7002 4.2279 4.2279 4.2554 4.3601 4.3601 4.3620 4.4309 4.4309 4.4878 4.5079 4.5079 4.5329 4.8362 4.8362 4.8775 4.9481 5.0007 5.0007 5.0641 5.0641 5.7786 5.7786 5.9379 5.9546 6.0100 6.0100 8.2605 8.2605 8.3362 8.3485 8.3485 8.3695 8.5085 8.5085 8.5101 8.5455 8.9322 8.9322 12.1238 12.1326 k = 0.0900 0.0900 0.0900 ( 6298 PWs) bands (ev): -48.6179 -48.6179 -26.2759 -26.2759 -24.2033 -24.2033 -24.2033 -24.2033 -7.0553 -7.0553 -6.0999 -6.0999 -6.0658 -6.0639 -6.0627 -6.0627 0.6488 0.6500 0.6500 0.6527 1.6746 1.6746 2.1497 2.1497 2.2169 2.2313 2.2452 2.2452 2.8403 2.8403 2.8616 2.8695 2.9002 2.9002 3.4111 3.4111 3.4204 3.4335 3.4505 3.4505 3.6976 3.6976 3.6981 3.7194 4.2201 4.2201 4.2398 4.3536 4.3563 4.3563 4.4243 4.4243 4.4975 4.5072 4.5072 4.5412 4.8322 4.8322 4.8619 4.9406 5.0018 5.0018 5.0811 5.0811 5.7355 5.7355 5.9346 5.9532 6.0060 6.0060 8.2569 8.2569 8.3363 8.3487 8.3487 8.3691 8.5323 8.5323 8.5340 8.5692 9.0056 9.0056 12.1194 12.1291 k = 0.1000 0.1000 0.1000 ( 6283 PWs) bands (ev): -48.6179 -48.6179 -26.2759 -26.2759 -24.2034 -24.2034 -24.2034 -24.2034 -7.0438 -7.0438 -6.1043 -6.1043 -6.0706 -6.0684 -6.0668 -6.0668 0.6656 0.6668 0.6668 0.6699 1.6868 1.6868 2.1341 2.1341 2.2192 2.2350 2.2477 2.2477 2.8270 2.8270 2.8464 2.8542 2.8933 2.8933 3.4004 3.4004 3.4097 3.4249 3.4360 3.4360 3.7155 3.7155 3.7181 3.7385 4.2120 4.2120 4.2241 4.3450 4.3513 4.3513 4.4178 4.4178 4.5067 4.5067 4.5071 4.5493 4.8279 4.8279 4.8466 4.9330 5.0019 5.0019 5.1017 5.1017 5.6899 5.6899 5.9308 5.9513 6.0018 6.0018 8.2561 8.2561 8.3367 8.3495 8.3495 8.3691 8.5576 8.5576 8.5593 8.5944 9.0806 9.0806 12.1144 12.1241 k = 0.1100 0.1100 0.1100 ( 6289 PWs) bands (ev): -48.6179 -48.6179 -26.2760 -26.2760 -24.2035 -24.2035 -24.2035 -24.2035 -7.0312 -7.0312 -6.1090 -6.1090 -6.0757 -6.0734 -6.0712 -6.0712 0.6838 0.6850 0.6850 0.6885 1.6999 1.6999 2.1168 2.1168 2.2218 2.2390 2.2505 2.2505 2.8126 2.8126 2.8302 2.8377 2.8860 2.8860 3.3895 3.3895 3.3993 3.4164 3.4202 3.4202 3.7332 3.7332 3.7385 3.7574 4.2036 4.2036 4.2084 4.3363 4.3450 4.3450 4.4117 4.4117 4.5065 4.5065 4.5163 4.5569 4.8235 4.8235 4.8320 4.9257 5.0011 5.0011 5.1251 5.1251 5.6422 5.6422 5.9263 5.9486 5.9971 5.9971 8.2581 8.2581 8.3374 8.3506 8.3506 8.3694 8.5843 8.5843 8.5858 8.6208 9.1565 9.1565 12.1085 12.1180 k = 0.1200 0.1200 0.1200 ( 6289 PWs) bands (ev): -48.6179 -48.6179 -26.2761 -26.2761 -24.2036 -24.2036 -24.2036 -24.2036 -7.0175 -7.0175 -6.1141 -6.1141 -6.0812 -6.0787 -6.0760 -6.0760 0.7033 0.7045 0.7045 0.7085 1.7139 1.7139 2.0981 2.0981 2.2248 2.2432 2.2536 2.2536 2.7971 2.7971 2.8132 2.8203 2.8783 2.8783 3.3780 3.3780 3.3893 3.4036 3.4036 3.4081 3.7506 3.7506 3.7591 3.7761 4.1927 4.1953 4.1953 4.3277 4.3376 4.3376 4.4060 4.4060 4.5065 4.5065 4.5248 4.5640 4.8186 4.8192 4.8192 4.9189 4.9999 4.9999 5.1510 5.1510 5.5932 5.5932 5.9211 5.9452 5.9919 5.9919 8.2627 8.2627 8.3383 8.3523 8.3523 8.3699 8.6121 8.6121 8.6134 8.6483 9.2325 9.2325 12.1015 12.1105 k = 0.1300 0.1300 0.1300 ( 6304 PWs) bands (ev): -48.6180 -48.6180 -26.2761 -26.2761 -24.2037 -24.2037 -24.2037 -24.2036 -7.0028 -7.0028 -6.1196 -6.1196 -6.0870 -6.0844 -6.0811 -6.0811 0.7240 0.7252 0.7252 0.7297 1.7286 1.7286 2.0779 2.0779 2.2280 2.2477 2.2570 2.2570 2.7809 2.7809 2.7955 2.8019 2.8704 2.8704 3.3648 3.3648 3.3795 3.3873 3.3873 3.3998 3.7676 3.7676 3.7798 3.7942 4.1773 4.1871 4.1871 4.3195 4.3293 4.3293 4.4008 4.4008 4.5068 4.5068 4.5324 4.5705 4.8066 4.8152 4.8152 4.9129 4.9981 4.9981 5.1788 5.1788 5.5432 5.5432 5.9154 5.9410 5.9863 5.9863 8.2698 8.2698 8.3392 8.3544 8.3544 8.3705 8.6409 8.6409 8.6417 8.6767 9.3079 9.3079 12.0932 12.1011 k = 0.1400 0.1400 0.1400 ( 6310 PWs) bands (ev): -48.6180 -48.6180 -26.2762 -26.2762 -24.2038 -24.2038 -24.2037 -24.2037 -6.9871 -6.9871 -6.1254 -6.1254 -6.0932 -6.0904 -6.0865 -6.0865 0.7459 0.7470 0.7470 0.7520 1.7439 1.7439 2.0567 2.0567 2.2316 2.2523 2.2607 2.2607 2.7639 2.7639 2.7772 2.7829 2.8621 2.8621 3.3482 3.3482 3.3699 3.3730 3.3730 3.3915 3.7840 3.7840 3.8005 3.8119 4.1623 4.1791 4.1791 4.3117 4.3204 4.3204 4.3960 4.3960 4.5073 4.5073 4.5390 4.5763 4.7966 4.8117 4.8117 4.9079 4.9960 4.9960 5.2085 5.2085 5.4929 5.4929 5.9091 5.9361 5.9801 5.9801 8.2790 8.2790 8.3401 8.3572 8.3572 8.3712 8.6705 8.6705 8.6708 8.7059 9.3822 9.3822 12.0833 12.0901 k = 0.1500 0.1500 0.1500 ( 6301 PWs) bands (ev): -48.6179 -48.6179 -26.2763 -26.2763 -24.2038 -24.2038 -24.2038 -24.2038 -6.9705 -6.9705 -6.1314 -6.1314 -6.0996 -6.0967 -6.0920 -6.0920 0.7686 0.7697 0.7697 0.7752 1.7593 1.7593 2.0345 2.0345 2.2354 2.2572 2.2646 2.2646 2.7465 2.7465 2.7586 2.7634 2.8536 2.8536 3.3279 3.3279 3.3603 3.3609 3.3609 3.3831 3.7997 3.7997 3.8211 3.8290 4.1480 4.1716 4.1716 4.3046 4.3112 4.3112 4.3916 4.3916 4.5080 4.5080 4.5443 4.5814 4.7887 4.8089 4.8089 4.9041 4.9933 4.9933 5.2398 5.2398 5.4426 5.4426 5.9022 5.9306 5.9736 5.9736 8.2898 8.2898 8.3410 8.3611 8.3611 8.3720 8.7004 8.7008 8.7008 8.7357 9.4545 9.4545 12.0715 12.0771 k = 0.1600 0.1600 0.1600 ( 6298 PWs) bands (ev): -48.6179 -48.6179 -26.2763 -26.2763 -24.2039 -24.2039 -24.2039 -24.2039 -6.9530 -6.9530 -6.1377 -6.1377 -6.1063 -6.1033 -6.0978 -6.0978 0.7922 0.7931 0.7931 0.7993 1.7747 1.7747 2.0118 2.0118 2.2395 2.2622 2.2687 2.2687 2.7287 2.7287 2.7397 2.7436 2.8450 2.8450 3.3049 3.3049 3.3502 3.3502 3.3508 3.3745 3.8146 3.8146 3.8413 3.8453 4.1345 4.1645 4.1645 4.2983 4.3021 4.3021 4.3874 4.3874 4.5088 4.5088 4.5482 4.5857 4.7832 4.8068 4.8068 4.9016 4.9901 4.9901 5.2725 5.2725 5.3927 5.3927 5.8950 5.9245 5.9666 5.9666 8.3015 8.3015 8.3417 8.3667 8.3667 8.3727 8.7304 8.7316 8.7316 8.7661 9.5244 9.5244 12.0576 12.0618 k = 0.1700 0.1700 0.1700 ( 6298 PWs) bands (ev): -48.6179 -48.6179 -26.2764 -26.2764 -24.2041 -24.2041 -24.2041 -24.2040 -6.9347 -6.9347 -6.1443 -6.1443 -6.1132 -6.1101 -6.1038 -6.1038 0.8164 0.8172 0.8172 0.8240 1.7891 1.7891 1.9892 1.9892 2.2438 2.2673 2.2730 2.2730 2.7109 2.7109 2.7208 2.7237 2.8362 2.8362 3.2800 3.2800 3.3401 3.3401 3.3412 3.3657 3.8285 3.8285 3.8608 3.8610 4.1222 4.1581 4.1581 4.2929 4.2933 4.2933 4.3836 4.3836 4.5098 4.5098 4.5504 4.5893 4.7802 4.8053 4.8053 4.9003 4.9861 4.9861 5.3057 5.3057 5.3442 5.3442 5.8875 5.9179 5.9594 5.9594 8.3128 8.3128 8.3422 8.3733 8.3751 8.3751 8.7608 8.7629 8.7629 8.7968 9.5914 9.5914 12.0413 12.0440 k = 0.1800 0.1800 0.1800 ( 6304 PWs) bands (ev): -48.6179 -48.6179 -26.2765 -26.2765 -24.2042 -24.2042 -24.2042 -24.2042 -6.9156 -6.9156 -6.1510 -6.1510 -6.1203 -6.1171 -6.1099 -6.1099 0.8411 0.8417 0.8417 0.8493 1.8014 1.8014 1.9678 1.9678 2.2484 2.2725 2.2774 2.2774 2.6931 2.6931 2.7020 2.7039 2.8273 2.8273 3.2537 3.2537 3.3302 3.3302 3.3315 3.3566 3.8413 3.8413 3.8754 3.8800 4.1112 4.1525 4.1525 4.2849 4.2849 4.2885 4.3800 4.3800 4.5109 4.5109 4.5511 4.5920 4.7796 4.8044 4.8044 4.9002 4.9814 4.9814 5.2936 5.2936 5.3430 5.3430 5.8798 5.9110 5.9521 5.9521 8.3223 8.3223 8.3425 8.3738 8.3877 8.3877 8.7914 8.7944 8.7944 8.8278 9.6549 9.6549 12.0223 12.0234 k = 0.1900 0.1900 0.1900 ( 6301 PWs) bands (ev): -48.6179 -48.6179 -26.2766 -26.2766 -24.2043 -24.2043 -24.2043 -24.2043 -6.8958 -6.8958 -6.1580 -6.1580 -6.1276 -6.1243 -6.1162 -6.1162 0.8661 0.8665 0.8665 0.8748 1.8096 1.8096 1.9499 1.9499 2.2531 2.2778 2.2819 2.2819 2.6757 2.6757 2.6836 2.6845 2.8183 2.8183 3.2265 3.2265 3.3203 3.3203 3.3215 3.3472 3.8529 3.8529 3.8891 3.8978 4.1021 4.1477 4.1477 4.2773 4.2773 4.2854 4.3766 4.3766 4.5121 4.5121 4.5502 4.5940 4.7814 4.8040 4.8040 4.9014 4.9758 4.9758 5.2470 5.2470 5.3787 5.3787 5.8722 5.9039 5.9448 5.9448 8.3292 8.3292 8.3425 8.3741 8.4051 8.4051 8.8221 8.8261 8.8261 8.8590 9.7147 9.7147 11.9999 12.0004 k = 0.2000 0.2000 0.2000 ( 6313 PWs) bands (ev): -48.6180 -48.6180 -26.2767 -26.2767 -24.2044 -24.2044 -24.2044 -24.2044 -6.8753 -6.8753 -6.1651 -6.1651 -6.1350 -6.1316 -6.1226 -6.1226 0.8913 0.8914 0.8914 0.9005 1.8103 1.8103 1.9385 1.9385 2.2580 2.2831 2.2864 2.2864 2.6588 2.6588 2.6656 2.6657 2.8092 2.8092 3.1984 3.1984 3.3103 3.3103 3.3114 3.3374 3.8633 3.8633 3.9019 3.9141 4.0951 4.1438 4.1438 4.2703 4.2703 4.2835 4.3733 4.3733 4.5134 4.5134 4.5480 4.5951 4.7851 4.8039 4.8039 4.9037 4.9691 4.9691 5.2016 5.2016 5.4156 5.4156 5.8648 5.8969 5.9377 5.9377 8.3337 8.3337 8.3423 8.3742 8.4269 8.4269 8.8529 8.8579 8.8579 8.8902 9.7705 9.7705 11.9730 11.9751 k = 0.2100 0.2100 0.2100 ( 6289 PWs) bands (ev): -48.6178 -48.6178 -26.2767 -26.2767 -24.2045 -24.2045 -24.2045 -24.2045 -6.8543 -6.8543 -6.1722 -6.1722 -6.1424 -6.1391 -6.1290 -6.1290 0.9162 0.9162 0.9164 0.9262 1.8011 1.8011 1.9361 1.9361 2.2631 2.2884 2.2909 2.2909 2.6428 2.6428 2.6476 2.6486 2.8003 2.8003 3.1700 3.1700 3.3003 3.3003 3.3010 3.3273 3.8725 3.8725 3.9139 3.9286 4.0909 4.1408 4.1408 4.2644 4.2644 4.2829 4.3704 4.3704 4.5148 4.5148 4.5447 4.5956 4.7904 4.8038 4.8038 4.9070 4.9613 4.9613 5.1581 5.1581 5.4534 5.4534 5.8579 5.8901 5.9310 5.9310 8.3366 8.3366 8.3418 8.3741 8.4523 8.4523 8.8837 8.8897 8.8897 8.9214 9.8222 9.8222 11.9426 11.9462 k = 0.2200 0.2200 0.2200 ( 6298 PWs) bands (ev): -48.6179 -48.6179 -26.2768 -26.2768 -24.2046 -24.2046 -24.2046 -24.2046 -6.8327 -6.8327 -6.1795 -6.1795 -6.1500 -6.1466 -6.1355 -6.1355 0.9407 0.9407 0.9413 0.9516 1.7829 1.7829 1.9417 1.9417 2.2682 2.2936 2.2954 2.2954 2.6277 2.6277 2.6306 2.6323 2.7912 2.7912 3.1415 3.1415 3.2899 3.2899 3.2902 3.3168 3.8806 3.8806 3.9250 3.9407 4.0897 4.1386 4.1386 4.2592 4.2592 4.2834 4.3675 4.3675 4.5162 4.5162 4.5405 4.5954 4.7969 4.8034 4.8034 4.9110 4.9522 4.9522 5.1172 5.1172 5.4917 5.4917 5.8517 5.8837 5.9249 5.9249 8.3383 8.3383 8.3411 8.3736 8.4805 8.4805 8.9143 8.9213 8.9213 8.9525 9.8698 9.8698 11.9084 11.9134 k = 0.2300 0.2300 0.2300 ( 6298 PWs) bands (ev): -48.6179 -48.6179 -26.2769 -26.2769 -24.2048 -24.2048 -24.2048 -24.2048 -6.8107 -6.8107 -6.1868 -6.1868 -6.1576 -6.1541 -6.1421 -6.1421 0.9647 0.9647 0.9657 0.9766 1.7588 1.7588 1.9522 1.9522 2.2734 2.2987 2.2998 2.2998 2.6139 2.6139 2.6149 2.6173 2.7823 2.7823 3.1132 3.1132 3.2792 3.2794 3.2794 3.3058 3.8876 3.8876 3.9355 3.9503 4.0917 4.1371 4.1371 4.2550 4.2550 4.2851 4.3649 4.3649 4.5176 4.5176 4.5355 4.5946 4.8020 4.8020 4.8041 4.9154 4.9416 4.9416 5.0793 5.0793 5.5306 5.5306 5.8466 5.8781 5.9198 5.9198 8.3393 8.3393 8.3401 8.3730 8.5112 8.5112 8.9447 8.9526 8.9526 8.9833 9.9134 9.9134 11.8700 11.8763 k = 0.2400 0.2400 0.2400 ( 6298 PWs) bands (ev): -48.6179 -48.6179 -26.2770 -26.2770 -24.2049 -24.2049 -24.2049 -24.2049 -6.7883 -6.7883 -6.1942 -6.1942 -6.1651 -6.1617 -6.1486 -6.1486 0.9881 0.9881 0.9896 1.0009 1.7311 1.7311 1.9649 1.9649 2.2787 2.3036 2.3042 2.3042 2.6007 2.6015 2.6015 2.6035 2.7735 2.7735 3.0855 3.0855 3.2679 3.2686 3.2686 3.2945 3.8938 3.8938 3.9454 3.9575 4.0969 4.1363 4.1363 4.2516 4.2516 4.2878 4.3624 4.3624 4.5190 4.5190 4.5300 4.5931 4.7990 4.7990 4.8115 4.9200 4.9297 4.9297 5.0453 5.0453 5.5698 5.5698 5.8428 5.8735 5.9158 5.9158 8.3389 8.3398 8.3398 8.3720 8.5437 8.5437 8.9749 8.9836 8.9836 9.0138 9.9533 9.9533 11.8272 11.8347 k = 0.2500 0.2500 0.2500 ( 6274 PWs) bands (ev): -48.6177 -48.6177 -26.2771 -26.2771 -24.2050 -24.2050 -24.2050 -24.2050 -6.7657 -6.7657 -6.2015 -6.2015 -6.1727 -6.1692 -6.1551 -6.1551 1.0105 1.0105 1.0126 1.0245 1.7015 1.7015 1.9782 1.9782 2.2840 2.3083 2.3084 2.3084 2.5882 2.5908 2.5908 2.5913 2.7648 2.7648 3.0588 3.0588 3.2563 3.2576 3.2576 3.2828 3.8994 3.8994 3.9551 3.9626 4.1049 4.1360 4.1360 4.2490 4.2490 4.2914 4.3602 4.3602 4.5202 4.5202 4.5241 4.5912 4.7932 4.7932 4.8189 4.9167 4.9167 4.9246 5.0157 5.0157 5.6093 5.6093 5.8405 5.8704 5.9132 5.9132 8.3375 8.3398 8.3398 8.3709 8.5779 8.5779 9.0046 9.0141 9.0141 9.0438 9.9899 9.9899 11.7799 11.7885 k = 0.2600 0.2600 0.2600 ( 6298 PWs) bands (ev): -48.6178 -48.6178 -26.2772 -26.2772 -24.2051 -24.2051 -24.2051 -24.2051 -6.7428 -6.7428 -6.2089 -6.2089 -6.1802 -6.1767 -6.1616 -6.1616 1.0320 1.0320 1.0347 1.0470 1.6707 1.6707 1.9912 1.9912 2.2893 2.3124 2.3124 2.3127 2.5775 2.5808 2.5818 2.5818 2.7562 2.7562 3.0335 3.0335 3.2444 3.2463 3.2463 3.2707 3.9044 3.9044 3.9645 3.9664 4.1148 4.1361 4.1361 4.2469 4.2469 4.2955 4.3579 4.3579 4.5177 4.5212 4.5212 4.5887 4.7834 4.7834 4.8256 4.9035 4.9035 4.9287 4.9906 4.9906 5.6488 5.6488 5.8402 5.8688 5.9124 5.9124 8.3359 8.3396 8.3396 8.3695 8.6133 8.6133 9.0338 9.0440 9.0440 9.0732 10.0234 10.0234 11.7281 11.7374 k = 0.2700 0.2700 0.2700 ( 6304 PWs) bands (ev): -48.6179 -48.6179 -26.2773 -26.2773 -24.2053 -24.2053 -24.2053 -24.2053 -6.7198 -6.7198 -6.2161 -6.2161 -6.1876 -6.1842 -6.1681 -6.1681 1.0522 1.0522 1.0556 1.0683 1.6393 1.6393 2.0031 2.0031 2.2945 2.3164 2.3164 2.3170 2.5687 2.5720 2.5746 2.5746 2.7478 2.7478 3.0099 3.0099 3.2323 3.2349 3.2349 3.2584 3.9090 3.9090 3.9695 3.9739 4.1260 4.1366 4.1366 4.2455 4.2455 4.3002 4.3559 4.3559 4.5112 4.5221 4.5221 4.5859 4.7688 4.7688 4.8315 4.8914 4.8914 4.9320 4.9695 4.9695 5.6882 5.6882 5.8421 5.8692 5.9135 5.9135 8.3343 8.3391 8.3391 8.3680 8.6497 8.6497 9.0623 9.0731 9.0731 9.1018 10.0544 10.0544 11.6717 11.6816 k = 0.2800 0.2800 0.2800 ( 6310 PWs) bands (ev): -48.6179 -48.6179 -26.2774 -26.2774 -24.2054 -24.2054 -24.2054 -24.2054 -6.6967 -6.6967 -6.2233 -6.2233 -6.1949 -6.1915 -6.1745 -6.1745 1.0710 1.0710 1.0752 1.0883 1.6077 1.6077 2.0135 2.0135 2.2998 2.3203 2.3203 2.3212 2.5620 2.5650 2.5694 2.5694 2.7397 2.7397 2.9886 2.9886 3.2201 3.2234 3.2234 3.2458 3.9135 3.9135 3.9724 3.9834 4.1374 4.1374 4.1380 4.2444 4.2444 4.3053 4.3540 4.3540 4.5045 4.5226 4.5226 4.5826 4.7498 4.7498 4.8361 4.8808 4.8808 4.9341 4.9515 4.9515 5.7274 5.7274 5.8465 5.8720 5.9170 5.9170 8.3326 8.3385 8.3385 8.3664 8.6868 8.6868 9.0900 9.1012 9.1012 9.1294 10.0832 10.0832 11.6110 11.6213 k = 0.2900 0.2900 0.2900 ( 6310 PWs) bands (ev): -48.6179 -48.6179 -26.2774 -26.2774 -24.2055 -24.2055 -24.2055 -24.2055 -6.6736 -6.6736 -6.2303 -6.2303 -6.2020 -6.1987 -6.1808 -6.1808 1.0884 1.0884 1.0934 1.1068 1.5762 1.5762 2.0218 2.0218 2.3052 2.3243 2.3243 2.3253 2.5572 2.5599 2.5660 2.5660 2.7319 2.7319 2.9698 2.9698 3.2077 3.2117 3.2117 3.2331 3.9179 3.9179 3.9755 3.9931 4.1385 4.1385 4.1504 4.2436 4.2436 4.3105 4.3521 4.3521 4.4975 4.5227 4.5227 4.5790 4.7276 4.7276 4.8391 4.8715 4.8715 4.9349 4.9358 4.9358 5.7662 5.7662 5.8536 5.8772 5.9230 5.9230 8.3310 8.3379 8.3379 8.3647 8.7242 8.7242 9.1166 9.1281 9.1281 9.1559 10.1104 10.1104 11.5464 11.5569 k = 0.3000 0.3000 0.3000 ( 6310 PWs) bands (ev): -48.6179 -48.6179 -26.2775 -26.2775 -24.2056 -24.2056 -24.2056 -24.2056 -6.6507 -6.6507 -6.2372 -6.2372 -6.2090 -6.2058 -6.1870 -6.1870 1.1042 1.1042 1.1100 1.1237 1.5450 1.5450 2.0278 2.0278 2.3106 2.3285 2.3285 2.3294 2.5543 2.5567 2.5644 2.5644 2.7243 2.7243 2.9538 2.9538 3.1952 3.1999 3.1999 3.2202 3.9223 3.9223 3.9792 4.0032 4.1398 4.1398 4.1627 4.2430 4.2430 4.3159 4.3503 4.3503 4.4905 4.5224 4.5224 4.5750 4.7035 4.7035 4.8404 4.8624 4.8624 4.9219 4.9219 4.9340 5.8043 5.8043 5.8635 5.8852 5.9319 5.9319 8.3294 8.3373 8.3373 8.3630 8.7617 8.7617 9.1419 9.1537 9.1537 9.1809 10.1364 10.1364 11.4784 11.4889 k = 0.3100 0.3100 0.3100 ( 6301 PWs) bands (ev): -48.6178 -48.6178 -26.2776 -26.2776 -24.2057 -24.2057 -24.2057 -24.2057 -6.6280 -6.6280 -6.2439 -6.2439 -6.2158 -6.2126 -6.1931 -6.1931 1.1183 1.1183 1.1251 1.1389 1.5143 1.5143 2.0312 2.0312 2.3163 2.3329 2.3329 2.3338 2.5533 2.5552 2.5645 2.5645 2.7171 2.7171 2.9411 2.9411 3.1828 3.1882 3.1882 3.2073 3.9268 3.9268 3.9837 4.0138 4.1413 4.1413 4.1749 4.2425 4.2425 4.3212 4.3486 4.3486 4.4834 4.5216 4.5216 4.5708 4.6790 4.6790 4.8397 4.8526 4.8526 4.9092 4.9092 4.9313 5.8416 5.8416 5.8763 5.8960 5.9437 5.9437 8.3281 8.3369 8.3369 8.3614 8.7990 8.7990 9.1658 9.1776 9.1776 9.2044 10.1615 10.1615 11.4077 11.4180 k = 0.3200 0.3200 0.3200 ( 6295 PWs) bands (ev): -48.6178 -48.6178 -26.2777 -26.2777 -24.2059 -24.2059 -24.2059 -24.2058 -6.6055 -6.6055 -6.2504 -6.2504 -6.2224 -6.2193 -6.1991 -6.1991 1.1307 1.1307 1.1386 1.1524 1.4843 1.4843 2.0319 2.0319 2.3221 2.3377 2.3377 2.3385 2.5538 2.5554 2.5661 2.5661 2.7102 2.7102 2.9316 2.9316 3.1704 3.1764 3.1764 3.1943 3.9313 3.9313 3.9889 4.0249 4.1431 4.1431 4.1867 4.2419 4.2419 4.3263 4.3468 4.3468 4.4762 4.5202 4.5202 4.5663 4.6552 4.6552 4.8370 4.8417 4.8417 4.8974 4.8974 4.9264 5.8776 5.8776 5.8920 5.9096 5.9589 5.9589 8.3270 8.3366 8.3366 8.3599 8.8357 8.8357 9.1879 9.1997 9.1997 9.2259 10.1861 10.1861 11.3350 11.3450 k = 0.3300 0.3300 0.3300 ( 6292 PWs) bands (ev): -48.6178 -48.6178 -26.2778 -26.2778 -24.2060 -24.2060 -24.2060 -24.2060 -6.5835 -6.5835 -6.2567 -6.2567 -6.2287 -6.2257 -6.2050 -6.2050 1.1414 1.1414 1.1504 1.1641 1.4551 1.4551 2.0299 2.0299 2.3283 2.3429 2.3429 2.3436 2.5557 2.5570 2.5690 2.5690 2.7038 2.7038 2.9255 2.9255 3.1581 3.1646 3.1646 3.1814 3.9359 3.9359 3.9951 4.0364 4.1452 4.1452 4.1981 4.2413 4.2413 4.3312 4.3449 4.3449 4.4691 4.5180 4.5180 4.5616 4.6329 4.6329 4.8295 4.8295 4.8322 4.8860 4.8860 4.9195 5.9104 5.9119 5.9119 5.9261 5.9774 5.9774 8.3263 8.3366 8.3366 8.3587 8.8716 8.8716 9.2080 9.2196 9.2196 9.2453 10.2106 10.2106 11.2612 11.2708 k = 0.3400 0.3400 0.3400 ( 6286 PWs) bands (ev): -48.6177 -48.6177 -26.2778 -26.2778 -24.2061 -24.2061 -24.2061 -24.2061 -6.5619 -6.5619 -6.2628 -6.2628 -6.2348 -6.2319 -6.2108 -6.2108 1.1505 1.1505 1.1606 1.1741 1.4270 1.4270 2.0252 2.0252 2.3349 2.3486 2.3486 2.3493 2.5588 2.5599 2.5730 2.5730 2.6977 2.6977 2.9226 2.9226 3.1460 3.1530 3.1530 3.1686 3.9405 3.9405 4.0022 4.0485 4.1474 4.1474 4.2090 4.2406 4.2406 4.3358 4.3428 4.3428 4.4620 4.5149 4.5149 4.5567 4.6129 4.6129 4.8161 4.8161 4.8256 4.8747 4.8747 4.9105 5.9314 5.9444 5.9444 5.9452 5.9993 5.9993 8.3261 8.3369 8.3369 8.3577 8.9065 8.9065 9.2258 9.2371 9.2371 9.2623 10.2350 10.2350 11.1872 11.1964 k = 0.3500 0.3500 0.3500 ( 6286 PWs) bands (ev): -48.6177 -48.6177 -26.2779 -26.2779 -24.2062 -24.2062 -24.2062 -24.2062 -6.5408 -6.5408 -6.2686 -6.2686 -6.2406 -6.2379 -6.2165 -6.2165 1.1580 1.1580 1.1692 1.1825 1.4000 1.4000 2.0181 2.0181 2.3419 2.3548 2.3548 2.3555 2.5628 2.5638 2.5778 2.5778 2.6921 2.6921 2.9229 2.9229 3.1341 3.1415 3.1415 3.1560 3.9451 3.9451 4.0102 4.0612 4.1499 4.1499 4.2193 4.2396 4.2396 4.3398 4.3404 4.3404 4.4551 4.5107 4.5107 4.5517 4.5956 4.5956 4.8018 4.8018 4.8171 4.8629 4.8629 4.8995 5.9547 5.9667 5.9749 5.9749 6.0244 6.0244 8.3263 8.3376 8.3376 8.3572 8.9400 8.9400 9.2410 9.2519 9.2519 9.2764 10.2596 10.2596 11.1140 11.1227 k = 0.3600 0.3600 0.3600 ( 6280 PWs) bands (ev): -48.6177 -48.6177 -26.2780 -26.2780 -24.2063 -24.2063 -24.2063 -24.2063 -6.5203 -6.5203 -6.2741 -6.2741 -6.2461 -6.2435 -6.2221 -6.2221 1.1639 1.1639 1.1765 1.1892 1.3743 1.3743 2.0089 2.0089 2.3493 2.3616 2.3616 2.3622 2.5675 2.5686 2.5833 2.5833 2.6870 2.6870 2.9260 2.9260 3.1226 3.1302 3.1302 3.1437 3.9497 3.9497 4.0192 4.0743 4.1528 4.1528 4.2290 4.2384 4.2384 4.3378 4.3378 4.3433 4.4485 4.5053 4.5053 4.5465 4.5815 4.5815 4.7868 4.7868 4.8070 4.8506 4.8506 4.8866 5.9800 5.9903 6.0038 6.0038 6.0517 6.0517 8.3272 8.3387 8.3387 8.3572 8.9720 8.9720 9.2534 9.2637 9.2637 9.2876 10.2845 10.2845 11.0425 11.0507 k = 0.3700 0.3700 0.3700 ( 6274 PWs) bands (ev): -48.6176 -48.6176 -26.2780 -26.2780 -24.2064 -24.2064 -24.2064 -24.2064 -6.5005 -6.5005 -6.2794 -6.2794 -6.2513 -6.2488 -6.2275 -6.2275 1.1685 1.1685 1.1823 1.1946 1.3501 1.3501 1.9979 1.9979 2.3570 2.3687 2.3687 2.3695 2.5727 2.5740 2.5891 2.5891 2.6824 2.6824 2.9316 2.9316 3.1115 3.1193 3.1193 3.1316 3.9540 3.9540 4.0291 4.0879 4.1559 4.1559 4.2370 4.2370 4.2382 4.3349 4.3349 4.3460 4.4425 4.4990 4.4990 4.5412 4.5707 4.5707 4.7716 4.7716 4.7955 4.8374 4.8374 4.8720 6.0067 6.0155 6.0319 6.0319 6.0801 6.0801 8.3287 8.3405 8.3405 8.3576 9.0022 9.0022 9.2627 9.2723 9.2723 9.2955 10.3096 10.3096 10.9737 10.9813 k = 0.3800 0.3800 0.3800 ( 6280 PWs) bands (ev): -48.6177 -48.6177 -26.2781 -26.2781 -24.2064 -24.2064 -24.2064 -24.2064 -6.4815 -6.4815 -6.2843 -6.2843 -6.2562 -6.2539 -6.2329 -6.2329 1.1719 1.1719 1.1870 1.1986 1.3273 1.3273 1.9856 1.9856 2.3650 2.3762 2.3762 2.3771 2.5782 2.5798 2.5951 2.5951 2.6784 2.6784 2.9392 2.9392 3.1008 3.1086 3.1086 3.1200 3.9580 3.9580 4.0399 4.1018 4.1592 4.1592 4.2353 4.2353 4.2467 4.3315 4.3315 4.3475 4.4372 4.4923 4.4923 4.5359 4.5628 4.5628 4.7562 4.7562 4.7829 4.8234 4.8234 4.8559 6.0345 6.0419 6.0595 6.0595 6.1085 6.1085 8.3310 8.3427 8.3427 8.3587 9.0306 9.0306 9.2687 9.2775 9.2775 9.2999 10.3349 10.3349 10.9083 10.9154 k = 0.3900 0.3900 0.3900 ( 6287 PWs) bands (ev): -48.6177 -48.6177 -26.2782 -26.2782 -24.2065 -24.2065 -24.2065 -24.2065 -6.4633 -6.4633 -6.2890 -6.2890 -6.2607 -6.2585 -6.2382 -6.2382 1.1741 1.1741 1.1906 1.2015 1.3062 1.3062 1.9725 1.9725 2.3733 2.3838 2.3838 2.3850 2.5839 2.5858 2.6010 2.6010 2.6751 2.6751 2.9483 2.9483 3.0907 3.0984 3.0984 3.1088 3.9616 3.9616 4.0515 4.1160 4.1629 4.1629 4.2334 4.2334 4.2546 4.3279 4.3279 4.3478 4.4329 4.4858 4.4858 4.5306 4.5573 4.5573 4.7409 4.7409 4.7695 4.8087 4.8087 4.8387 6.0628 6.0690 6.0867 6.0867 6.1363 6.1363 8.3340 8.3456 8.3456 8.3603 9.0569 9.0569 9.2713 9.2793 9.2793 9.3008 10.3603 10.3603 10.8472 10.8539 k = 0.4000 0.4000 0.4000 ( 6272 PWs) bands (ev): -48.6176 -48.6176 -26.2782 -26.2782 -24.2066 -24.2066 -24.2066 -24.2066 -6.4459 -6.4459 -6.2933 -6.2933 -6.2648 -6.2629 -6.2435 -6.2435 1.1754 1.1754 1.1933 1.2035 1.2868 1.2868 1.9589 1.9589 2.3817 2.3916 2.3916 2.3931 2.5895 2.5918 2.6066 2.6066 2.6725 2.6725 2.9586 2.9586 3.0813 3.0887 3.0887 3.0981 3.9647 3.9647 4.0639 4.1302 4.1670 4.1670 4.2314 4.2314 4.2619 4.3241 4.3241 4.3467 4.4301 4.4802 4.4802 4.5254 4.5535 4.5535 4.7261 4.7261 4.7558 4.7935 4.7935 4.8206 6.0912 6.0963 6.1134 6.1134 6.1629 6.1629 8.3378 8.3491 8.3491 8.3626 9.0810 9.0810 9.2706 9.2777 9.2777 9.2982 10.3855 10.3855 10.7911 10.7973 k = 0.4100 0.4100 0.4100 ( 6254 PWs) bands (ev): -48.6175 -48.6175 -26.2783 -26.2783 -24.2067 -24.2067 -24.2067 -24.2067 -6.4295 -6.4295 -6.2972 -6.2972 -6.2686 -6.2668 -6.2486 -6.2486 1.1758 1.1758 1.1952 1.2046 1.2693 1.2693 1.9453 1.9453 2.3901 2.3993 2.3993 2.4010 2.5951 2.5977 2.6116 2.6116 2.6709 2.6709 2.9696 2.9696 3.0726 3.0796 3.0796 3.0881 3.9673 3.9673 4.0770 4.1443 4.1713 4.1713 4.2292 4.2292 4.2685 4.3201 4.3201 4.3439 4.4287 4.4757 4.4757 4.5201 4.5512 4.5512 4.7117 4.7117 4.7420 4.7780 4.7780 4.8020 6.1190 6.1232 6.1392 6.1392 6.1882 6.1882 8.3423 8.3532 8.3532 8.3655 9.1030 9.1030 9.2667 9.2729 9.2729 9.2922 10.4102 10.4102 10.7404 10.7461 k = 0.4200 0.4200 0.4200 ( 6254 PWs) bands (ev): -48.6175 -48.6175 -26.2783 -26.2783 -24.2067 -24.2067 -24.2067 -24.2067 -6.4140 -6.4140 -6.3009 -6.3009 -6.2720 -6.2704 -6.2538 -6.2538 1.1755 1.1755 1.1966 1.2050 1.2536 1.2536 1.9321 1.9321 2.3983 2.4067 2.4067 2.4087 2.6003 2.6032 2.6157 2.6157 2.6701 2.6701 2.9807 2.9807 3.0646 3.0710 3.0710 3.0787 3.9692 3.9692 4.0906 4.1580 4.1757 4.1757 4.2271 4.2271 4.2744 4.3162 4.3162 4.3396 4.4289 4.4723 4.4723 4.5149 4.5498 4.5498 4.6982 4.6982 4.7284 4.7622 4.7622 4.7832 6.1458 6.1492 6.1635 6.1635 6.2117 6.2117 8.3474 8.3577 8.3577 8.3688 9.1227 9.1227 9.2601 9.2654 9.2654 9.2833 10.4341 10.4341 10.6954 10.7006 k = 0.4300 0.4300 0.4300 ( 6260 PWs) bands (ev): -48.6175 -48.6175 -26.2783 -26.2783 -24.2068 -24.2068 -24.2068 -24.2068 -6.3995 -6.3995 -6.3043 -6.3043 -6.2751 -6.2736 -6.2589 -6.2589 1.1746 1.1746 1.1975 1.2049 1.2400 1.2400 1.9196 1.9196 2.4062 2.4137 2.4137 2.4160 2.6051 2.6082 2.6188 2.6188 2.6702 2.6702 2.9916 2.9916 3.0575 3.0633 3.0633 3.0701 3.9706 3.9706 4.1047 4.1710 4.1802 4.1802 4.2251 4.2251 4.2797 4.3124 4.3124 4.3339 4.4306 4.4700 4.4700 4.5096 4.5492 4.5492 4.6856 4.6856 4.7155 4.7467 4.7467 4.7645 6.1710 6.1737 6.1860 6.1860 6.2334 6.2334 8.3532 8.3626 8.3626 8.3725 9.1400 9.1400 9.2513 9.2555 9.2555 9.2721 10.4567 10.4567 10.6564 10.6611 k = 0.4400 0.4400 0.4400 ( 6263 PWs) bands (ev): -48.6176 -48.6176 -26.2784 -26.2784 -24.2068 -24.2068 -24.2068 -24.2068 -6.3861 -6.3861 -6.3073 -6.3073 -6.2777 -6.2765 -6.2639 -6.2639 1.1731 1.1731 1.1980 1.2045 1.2285 1.2285 1.9082 1.9082 2.4136 2.4201 2.4201 2.4226 2.6095 2.6126 2.6210 2.6210 2.6711 2.6711 3.0020 3.0020 3.0514 3.0563 3.0563 3.0623 3.9714 3.9714 4.1191 4.1827 4.1844 4.1844 4.2235 4.2235 4.2842 4.3089 4.3089 4.3274 4.4336 4.4687 4.4687 4.5043 4.5495 4.5495 4.6743 4.6743 4.7036 4.7315 4.7315 4.7465 6.1940 6.1962 6.2063 6.2063 6.2531 6.2531 8.3592 8.3677 8.3677 8.3764 9.1550 9.1550 9.2410 9.2442 9.2442 9.2593 10.4776 10.4776 10.6233 10.6275 k = 0.4500 0.4500 0.4500 ( 6251 PWs) bands (ev): -48.6175 -48.6175 -26.2784 -26.2784 -24.2069 -24.2069 -24.2069 -24.2069 -6.3738 -6.3738 -6.3102 -6.3102 -6.2799 -6.2789 -6.2688 -6.2688 1.1713 1.1713 1.1984 1.2038 1.2190 1.2190 1.8980 1.8980 2.4204 2.4259 2.4259 2.4283 2.6134 2.6164 2.6225 2.6225 2.6725 2.6725 3.0114 3.0114 3.0462 3.0503 3.0503 3.0555 3.9718 3.9718 4.1336 4.1883 4.1883 4.1928 4.2225 4.2225 4.2879 4.3057 4.3057 4.3203 4.4378 4.4681 4.4681 4.4990 4.5503 4.5503 4.6645 4.6645 4.6932 4.7172 4.7172 4.7295 6.2145 6.2162 6.2239 6.2239 6.2704 6.2704 8.3654 8.3728 8.3728 8.3801 9.1676 9.1676 9.2302 9.2323 9.2323 9.2457 10.4963 10.4963 10.5961 10.5997 k = 0.4600 0.4600 0.4600 ( 6227 PWs) bands (ev): -48.6174 -48.6174 -26.2784 -26.2784 -24.2069 -24.2069 -24.2069 -24.2069 -6.3626 -6.3626 -6.3128 -6.3128 -6.2817 -6.2809 -6.2735 -6.2735 1.1693 1.1693 1.1986 1.2030 1.2117 1.2117 1.8894 1.8894 2.4264 2.4308 2.4308 2.4331 2.6168 2.6194 2.6233 2.6233 2.6742 2.6742 3.0195 3.0195 3.0422 3.0452 3.0452 3.0497 3.9719 3.9719 4.1480 4.1915 4.1915 4.2005 4.2221 4.2221 4.2909 4.3029 4.3029 4.3135 4.4429 4.4680 4.4680 4.4935 4.5516 4.5516 4.6565 4.6565 4.6847 4.7042 4.7042 4.7140 6.2320 6.2332 6.2385 6.2385 6.2852 6.2852 8.3715 8.3775 8.3775 8.3835 9.1779 9.1779 9.2198 9.2209 9.2209 9.2324 10.5123 10.5123 10.5744 10.5774 k = 0.4700 0.4700 0.4700 ( 6239 PWs) bands (ev): -48.6174 -48.6174 -26.2784 -26.2784 -24.2069 -24.2069 -24.2069 -24.2069 -6.3526 -6.3526 -6.3155 -6.3155 -6.2831 -6.2825 -6.2778 -6.2778 1.1673 1.1673 1.1989 1.2022 1.2063 1.2063 1.8825 1.8825 2.4315 2.4347 2.4347 2.4368 2.6195 2.6217 2.6237 2.6237 2.6758 2.6758 3.0261 3.0261 3.0391 3.0412 3.0412 3.0448 3.9718 3.9718 4.1618 4.1937 4.1937 4.2051 4.2222 4.2222 4.2930 4.3005 4.3005 4.3073 4.4487 4.4681 4.4681 4.4877 4.5531 4.5531 4.6504 4.6504 4.6784 4.6928 4.6928 4.7005 6.2460 6.2469 6.2500 6.2500 6.2972 6.2972 8.3770 8.3816 8.3816 8.3862 9.1857 9.1857 9.2108 9.2109 9.2109 9.2204 10.5249 10.5249 10.5580 10.5604 k = 0.4800 0.4800 0.4800 ( 6245 PWs) bands (ev): -48.6175 -48.6175 -26.2785 -26.2785 -24.2070 -24.2070 -24.2069 -24.2069 -6.3441 -6.3441 -6.3183 -6.3183 -6.2840 -6.2836 -6.2814 -6.2814 1.1655 1.1655 1.1991 1.2013 1.2027 1.2027 1.8775 1.8775 2.4355 2.4376 2.4376 2.4391 2.6216 2.6232 2.6238 2.6238 2.6772 2.6772 3.0309 3.0309 3.0372 3.0384 3.0384 3.0410 3.9715 3.9715 4.1749 4.1951 4.1951 4.2059 4.2228 4.2228 4.2946 4.2987 4.2987 4.3025 4.4551 4.4683 4.4683 4.4816 4.5545 4.5545 4.6462 4.6462 4.6746 4.6838 4.6838 4.6894 6.2563 6.2569 6.2582 6.2582 6.3059 6.3059 8.3817 8.3849 8.3849 8.3880 9.1906 9.1906 9.2036 9.2036 9.2041 9.2106 10.5335 10.5335 10.5467 10.5483 k = 0.4900 0.4900 0.4900 ( 6272 PWs) bands (ev): -48.6176 -48.6176 -26.2785 -26.2785 -24.2070 -24.2070 -24.2070 -24.2070 -6.3374 -6.3374 -6.3213 -6.3213 -6.2846 -6.2844 -6.2838 -6.2838 1.1644 1.1644 1.1995 1.2006 1.2007 1.2007 1.8744 1.8744 2.4384 2.4394 2.4394 2.4402 2.6230 2.6238 2.6238 2.6238 2.6780 2.6780 3.0335 3.0335 3.0364 3.0370 3.0370 3.0383 3.9713 3.9713 4.1864 4.1958 4.1958 4.2027 4.2233 4.2233 4.2958 4.2976 4.2976 4.2992 4.4617 4.4684 4.4684 4.4752 4.5555 4.5555 4.6438 4.6438 4.6736 4.6778 4.6778 4.6810 6.2626 6.2629 6.2632 6.2632 6.3112 6.3112 8.3853 8.3869 8.3869 8.3885 9.1919 9.1919 9.2004 9.2006 9.2006 9.2037 10.5375 10.5375 10.5402 10.5410 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -48.6176 -48.6176 -26.2785 -26.2785 -24.2070 -24.2070 -24.2070 -24.2070 -6.3344 -6.3344 -6.3230 -6.3230 -6.2847 -6.2847 -6.2847 -6.2847 1.1640 1.1640 1.2000 1.2000 1.2000 1.2000 1.8734 1.8734 2.4399 2.4399 2.4399 2.4399 2.6238 2.6238 2.6238 2.6238 2.6783 2.6783 3.0341 3.0341 3.0368 3.0368 3.0368 3.0368 3.9713 3.9713 4.1960 4.1960 4.1960 4.1960 4.2235 4.2235 4.2972 4.2972 4.2972 4.2972 4.4685 4.4685 4.4685 4.4685 4.5559 4.5559 4.6431 4.6431 4.6757 4.6757 4.6757 4.6757 6.2648 6.2648 6.2648 6.2648 6.3130 6.3130 8.3876 8.3876 8.3876 8.3876 9.1916 9.1916 9.2003 9.2003 9.2003 9.2003 10.5383 10.5383 10.5383 10.5383 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -48.6176 -48.6176 -26.2785 -26.2785 -24.2070 -24.2070 -24.2070 -24.2070 -6.3344 -6.3344 -6.3230 -6.3230 -6.2847 -6.2847 -6.2847 -6.2847 1.1640 1.1640 1.2000 1.2000 1.2000 1.2000 1.8734 1.8734 2.4399 2.4399 2.4399 2.4399 2.6238 2.6238 2.6238 2.6238 2.6783 2.6783 3.0341 3.0341 3.0368 3.0368 3.0368 3.0368 3.9713 3.9713 4.1960 4.1960 4.1960 4.1960 4.2235 4.2235 4.2972 4.2972 4.2972 4.2972 4.4685 4.4685 4.4685 4.4685 4.5559 4.5559 4.6431 4.6431 4.6757 4.6757 4.6757 4.6757 6.2648 6.2648 6.2648 6.2648 6.3130 6.3130 8.3876 8.3876 8.3876 8.3876 9.1916 9.1916 9.2003 9.2003 9.2003 9.2003 10.5383 10.5383 10.5383 10.5383 k = 0.4878 0.5000 0.4878 ( 6272 PWs) bands (ev): -48.6176 -48.6176 -26.2785 -26.2785 -24.2070 -24.2070 -24.2070 -24.2070 -6.3374 -6.3373 -6.3214 -6.3213 -6.2846 -6.2844 -6.2838 -6.2837 1.1644 1.1644 1.1996 1.2005 1.2006 1.2008 1.8744 1.8744 2.4384 2.4391 2.4396 2.4402 2.6230 2.6236 2.6238 2.6241 2.6780 2.6780 3.0333 3.0339 3.0361 3.0367 3.0375 3.0382 3.9713 3.9713 4.1868 4.1936 4.1978 4.2026 4.2233 4.2233 4.2958 4.2972 4.2978 4.2992 4.4619 4.4667 4.4701 4.4749 4.5555 4.5556 4.6437 4.6440 4.6737 4.6769 4.6786 4.6809 6.2625 6.2627 6.2633 6.2634 6.3113 6.3113 8.3851 8.3867 8.3871 8.3886 9.1917 9.1923 9.2004 9.2005 9.2006 9.2036 10.5377 10.5379 10.5399 10.5407 k = 0.4756 0.5000 0.4756 ( 6242 PWs) bands (ev): -48.6174 -48.6174 -26.2785 -26.2785 -24.2070 -24.2070 -24.2069 -24.2069 -6.3441 -6.3437 -6.3188 -6.3181 -6.2843 -6.2839 -6.2813 -6.2809 1.1655 1.1656 1.1994 1.2015 1.2022 1.2028 1.8775 1.8775 2.4356 2.4372 2.4380 2.4392 2.6213 2.6226 2.6239 2.6245 2.6772 2.6772 3.0304 3.0335 3.0346 3.0381 3.0396 3.0407 3.9715 3.9716 4.1756 4.1910 4.1984 4.2063 4.2228 4.2228 4.2944 4.2982 4.2988 4.3030 4.4554 4.4652 4.4714 4.4811 4.5546 4.5549 4.6448 4.6470 4.6749 4.6825 4.6845 4.6896 6.2557 6.2561 6.2588 6.2591 6.3060 6.3061 8.3807 8.3845 8.3852 8.3890 9.1899 9.1939 9.2008 9.2028 9.2048 9.2108 10.5355 10.5357 10.5447 10.5461 k = 0.4634 0.5000 0.4634 ( 6230 PWs) bands (ev): -48.6174 -48.6174 -26.2784 -26.2784 -24.2069 -24.2069 -24.2069 -24.2069 -6.3525 -6.3518 -6.3167 -6.3151 -6.2838 -6.2829 -6.2777 -6.2768 1.1672 1.1674 1.1996 1.2026 1.2050 1.2062 1.8824 1.8825 2.4316 2.4342 2.4353 2.4369 2.6187 2.6205 2.6241 2.6250 2.6760 2.6761 3.0255 3.0304 3.0345 3.0410 3.0426 3.0445 3.9717 3.9719 4.1628 4.1880 4.1968 4.2073 4.2220 4.2226 4.2926 4.2998 4.2999 4.3085 4.4490 4.4642 4.4720 4.4869 4.5535 4.5544 4.6461 4.6524 4.6793 4.6917 4.6927 4.7014 6.2444 6.2452 6.2514 6.2518 6.2974 6.2977 8.3743 8.3800 8.3833 8.3891 9.1854 9.1942 9.2024 9.2072 9.2136 9.2215 10.5306 10.5307 10.5511 10.5529 k = 0.4512 0.5000 0.4512 ( 6222 PWs) bands (ev): -48.6173 -48.6173 -26.2784 -26.2784 -24.2069 -24.2069 -24.2069 -24.2069 -6.3621 -6.3611 -6.3152 -6.3124 -6.2830 -6.2816 -6.2732 -6.2718 1.1692 1.1696 1.2005 1.2041 1.2091 1.2110 1.8893 1.8895 2.4265 2.4303 2.4313 2.4337 2.6151 2.6174 2.6242 2.6253 2.6746 2.6748 3.0189 3.0252 3.0354 3.0453 3.0462 3.0497 3.9718 3.9721 4.1493 4.1848 4.1924 4.2058 4.2212 4.2236 4.2904 4.3014 4.3016 4.3153 4.4428 4.4639 4.4718 4.4923 4.5531 4.5547 4.6478 4.6598 4.6866 4.7031 4.7034 4.7157 6.2289 6.2301 6.2409 6.2416 6.2860 6.2866 8.3665 8.3740 8.3811 8.3886 9.1787 9.1911 9.2067 9.2132 9.2252 9.2348 10.5233 10.5233 10.5590 10.5610 k = 0.4390 0.5000 0.4390 ( 6236 PWs) bands (ev): -48.6174 -48.6174 -26.2784 -26.2784 -24.2069 -24.2069 -24.2068 -24.2068 -6.3726 -6.3714 -6.3141 -6.3099 -6.2818 -6.2797 -6.2684 -6.2663 1.1711 1.1715 1.2023 1.2063 1.2143 1.2172 1.8978 1.8982 2.4204 2.4255 2.4262 2.4294 2.6105 2.6132 2.6239 2.6251 2.6735 2.6738 3.0108 3.0184 3.0371 3.0504 3.0509 3.0561 3.9716 3.9721 4.1353 4.1813 4.1854 4.2024 4.2206 4.2260 4.2878 4.3032 4.3036 4.3226 4.4368 4.4648 4.4709 4.4971 4.5539 4.5559 4.6500 4.6689 4.6964 4.7157 4.7168 4.7317 6.2094 6.2111 6.2274 6.2283 6.2720 6.2730 8.3579 8.3670 8.3785 8.3877 9.1700 9.1856 9.2125 9.2201 9.2384 9.2498 10.5142 10.5146 10.5690 10.5712 k = 0.4268 0.5000 0.4268 ( 6258 PWs) bands (ev): -48.6175 -48.6175 -26.2784 -26.2784 -24.2069 -24.2069 -24.2068 -24.2068 -6.3839 -6.3825 -6.3135 -6.3077 -6.2803 -6.2772 -6.2631 -6.2604 1.1726 1.1727 1.2054 1.2092 1.2208 1.2248 1.9080 1.9087 2.4135 2.4201 2.4202 2.4243 2.6049 2.6079 2.6230 2.6245 2.6730 2.6732 3.0011 3.0100 3.0396 3.0554 3.0578 3.0635 3.9710 3.9717 4.1216 4.1764 4.1777 4.1977 4.2201 4.2291 4.2848 4.3053 4.3056 4.3297 4.4312 4.4668 4.4692 4.5017 4.5559 4.5583 4.6532 4.6790 4.7083 4.7306 4.7311 4.7487 6.1862 6.1885 6.2111 6.2122 6.2559 6.2574 8.3489 8.3596 8.3755 8.3864 9.1592 9.1776 9.2188 9.2275 9.2521 9.2652 10.5044 10.5051 10.5816 10.5840 k = 0.4146 0.5000 0.4146 ( 6250 PWs) bands (ev): -48.6175 -48.6175 -26.2783 -26.2783 -24.2069 -24.2069 -24.2067 -24.2067 -6.3960 -6.3944 -6.3134 -6.3059 -6.2782 -6.2741 -6.2577 -6.2542 1.1728 1.1733 1.2100 1.2130 1.2285 1.2337 1.9195 1.9206 2.4059 2.4134 2.4142 2.4187 2.5983 2.6016 2.6214 2.6233 2.6734 2.6735 2.9900 3.0003 3.0431 3.0612 3.0658 3.0720 3.9698 3.9705 4.1085 4.1663 4.1739 4.1923 4.2198 4.2328 4.2818 4.3075 4.3078 4.3363 4.4263 4.4672 4.4703 4.5062 4.5593 4.5619 4.6575 4.6899 4.7219 4.7459 4.7476 4.7663 6.1601 6.1628 6.1920 6.1933 6.2379 6.2399 8.3403 8.3525 8.3721 8.3846 9.1461 9.1673 9.2250 9.2348 9.2652 9.2800 10.4945 10.4958 10.5974 10.6000 k = 0.4024 0.5000 0.4024 ( 6254 PWs) bands (ev): -48.6175 -48.6175 -26.2783 -26.2783 -24.2069 -24.2068 -24.2066 -24.2066 -6.4087 -6.4070 -6.3137 -6.3048 -6.2754 -6.2703 -6.2520 -6.2479 1.1717 1.1731 1.2159 1.2178 1.2374 1.2439 1.9323 1.9339 2.3979 2.4060 2.4079 2.4125 2.5907 2.5944 2.6192 2.6216 2.6746 2.6750 2.9776 2.9891 3.0474 3.0677 3.0747 3.0812 3.9676 3.9682 4.0965 4.1559 4.1701 4.1865 4.2198 4.2366 4.2786 4.3093 4.3106 4.3420 4.4220 4.4650 4.4750 4.5109 4.5635 4.5663 4.6633 4.7013 4.7366 4.7608 4.7666 4.7840 6.1315 6.1347 6.1707 6.1720 6.2181 6.2205 8.3322 8.3458 8.3684 8.3823 9.1307 9.1543 9.2304 9.2412 9.2768 9.2932 10.4852 10.4871 10.6167 10.6194 k = 0.3902 0.5000 0.3902 ( 6250 PWs) bands (ev): -48.6175 -48.6175 -26.2783 -26.2783 -24.2068 -24.2068 -24.2065 -24.2065 -6.4220 -6.4202 -6.3145 -6.3043 -6.2718 -6.2659 -6.2460 -6.2414 1.1695 1.1720 1.2228 1.2235 1.2477 1.2552 1.9459 1.9482 2.3894 2.3981 2.4013 2.4061 2.5822 2.5863 2.6165 2.6195 2.6766 2.6775 2.9640 2.9768 3.0527 3.0751 3.0846 3.0913 3.9644 3.9644 4.0863 4.1459 4.1663 4.1805 4.2198 4.2405 4.2755 4.3109 4.3134 4.3469 4.4188 4.4632 4.4809 4.5158 4.5683 4.5712 4.6707 4.7131 4.7520 4.7757 4.7867 4.8018 6.1012 6.1048 6.1474 6.1487 6.1967 6.1992 8.3252 8.3401 8.3644 8.3795 9.1127 9.1385 9.2345 9.2462 9.2862 9.3041 10.4773 10.4798 10.6398 10.6427 k = 0.3780 0.5000 0.3780 ( 6266 PWs) bands (ev): -48.6176 -48.6176 -26.2782 -26.2782 -24.2068 -24.2068 -24.2064 -24.2064 -6.4358 -6.4339 -6.3158 -6.3047 -6.2674 -6.2608 -6.2398 -6.2347 1.1663 1.1697 1.2299 1.2303 1.2590 1.2676 1.9603 1.9633 2.3807 2.3899 2.3947 2.3994 2.5728 2.5774 2.6137 2.6175 2.6792 2.6810 2.9493 2.9633 3.0591 3.0834 3.0953 3.1020 3.9587 3.9598 4.0779 4.1367 4.1626 4.1744 4.2196 4.2441 4.2728 4.3123 4.3161 4.3507 4.4169 4.4619 4.4878 4.5211 4.5733 4.5765 4.6796 4.7252 4.7673 4.7905 4.8065 4.8204 6.0698 6.0737 6.1225 6.1236 6.1736 6.1761 8.3194 8.3356 8.3601 8.3762 9.0922 9.1199 9.2365 9.2492 9.2930 9.3124 10.4712 10.4743 10.6671 10.6700 k = 0.3659 0.5000 0.3659 ( 6266 PWs) bands (ev): -48.6176 -48.6176 -26.2782 -26.2782 -24.2068 -24.2067 -24.2063 -24.2063 -6.4500 -6.4482 -6.3176 -6.3058 -6.2622 -6.2550 -6.2334 -6.2279 1.1621 1.1665 1.2369 1.2382 1.2715 1.2807 1.9750 1.9788 2.3719 2.3816 2.3881 2.3927 2.5629 2.5679 2.6111 2.6158 2.6826 2.6853 2.9337 2.9488 3.0665 3.0925 3.1067 3.1133 3.9511 3.9538 4.0717 4.1287 4.1589 4.1686 4.2191 4.2474 4.2706 4.3135 4.3184 4.3534 4.4168 4.4614 4.4957 4.5269 4.5784 4.5817 4.6901 4.7375 4.7818 4.8057 4.8236 4.8416 6.0379 6.0420 6.0965 6.0972 6.1490 6.1512 8.3150 8.3324 8.3555 8.3724 9.0692 9.0985 9.2362 9.2496 9.2968 9.3176 10.4672 10.4709 10.6988 10.7017 k = 0.3537 0.5000 0.3537 ( 6282 PWs) bands (ev): -48.6177 -48.6177 -26.2781 -26.2781 -24.2067 -24.2067 -24.2062 -24.2062 -6.4647 -6.4628 -6.3199 -6.3076 -6.2563 -6.2488 -6.2266 -6.2208 1.1570 1.1622 1.2443 1.2464 1.2848 1.2946 1.9899 1.9946 2.3632 2.3733 2.3817 2.3861 2.5523 2.5579 2.6092 2.6148 2.6865 2.6902 2.9174 2.9335 3.0749 3.1024 3.1187 3.1251 3.9417 3.9462 4.0674 4.1219 4.1553 4.1631 4.2179 4.2503 4.2691 4.3144 4.3203 4.3548 4.4187 4.4619 4.5043 4.5332 4.5834 4.5867 4.7020 4.7500 4.7942 4.8221 4.8373 4.8656 6.0061 6.0103 6.0699 6.0699 6.1230 6.1246 8.3121 8.3307 8.3506 8.3681 9.0441 9.0743 9.2330 9.2471 9.2976 9.3197 10.4655 10.4698 10.7350 10.7380 k = 0.3415 0.5000 0.3415 ( 6274 PWs) bands (ev): -48.6176 -48.6176 -26.2781 -26.2781 -24.2067 -24.2067 -24.2061 -24.2061 -6.4797 -6.4778 -6.3227 -6.3101 -6.2497 -6.2419 -6.2197 -6.2136 1.1509 1.1568 1.2519 1.2545 1.2989 1.3090 2.0045 2.0102 2.3547 2.3652 2.3757 2.3797 2.5415 2.5476 2.6083 2.6148 2.6908 2.6956 2.9004 2.9175 3.0845 3.1133 3.1314 3.1373 3.9310 3.9373 4.0647 4.1164 4.1519 4.1583 4.2159 4.2528 4.2687 4.3151 4.3217 4.3548 4.4230 4.4636 4.5137 4.5399 4.5881 4.5914 4.7151 4.7627 4.8041 4.8399 4.8482 4.8911 5.9750 5.9790 6.0420 6.0431 6.0958 6.0962 8.3108 8.3304 8.3454 8.3633 9.0170 9.0477 9.2266 9.2412 9.2955 9.3188 10.4662 10.4709 10.7758 10.7788 k = 0.3293 0.5000 0.3293 ( 6280 PWs) bands (ev): -48.6177 -48.6177 -26.2780 -26.2780 -24.2066 -24.2066 -24.2060 -24.2060 -6.4949 -6.4931 -6.3259 -6.3131 -6.2427 -6.2347 -6.2124 -6.2062 1.1439 1.1504 1.2596 1.2626 1.3136 1.3237 2.0187 2.0254 2.3464 2.3575 2.3700 2.3737 2.5304 2.5371 2.6086 2.6161 2.6955 2.7014 2.8829 2.9010 3.0951 3.1249 3.1446 3.1500 3.9194 3.9272 4.0630 4.1118 4.1485 4.1544 4.2130 4.2548 4.2694 4.3156 4.3226 4.3537 4.4294 4.4664 4.5235 4.5472 4.5924 4.5958 4.7288 4.7755 4.8115 4.8566 4.8589 4.9176 5.9447 5.9485 6.0137 6.0164 6.0664 6.0678 8.3110 8.3314 8.3399 8.3581 8.9884 9.0190 9.2169 9.2320 9.2905 9.3150 10.4693 10.4743 10.8211 10.8242 k = 0.3171 0.5000 0.3171 ( 6268 PWs) bands (ev): -48.6176 -48.6176 -26.2779 -26.2779 -24.2066 -24.2066 -24.2058 -24.2058 -6.5104 -6.5087 -6.3295 -6.3167 -6.2352 -6.2270 -6.2049 -6.1986 1.1358 1.1429 1.2673 1.2706 1.3286 1.3386 2.0322 2.0399 2.3386 2.3501 2.3648 2.3681 2.5192 2.5264 2.6104 2.6189 2.7006 2.7076 2.8651 2.8841 3.1068 3.1375 3.1583 3.1631 3.9074 3.9161 4.0620 4.1080 4.1451 4.1514 4.2093 4.2563 4.2713 4.3157 4.3231 4.3517 4.4377 4.4703 4.5335 4.5550 4.5963 4.6000 4.7427 4.7885 4.8169 4.8624 4.8788 4.9448 5.9156 5.9188 5.9853 5.9904 6.0352 6.0394 8.3126 8.3333 8.3343 8.3528 8.9588 8.9886 9.2039 9.2192 9.2830 9.3085 10.4745 10.4796 10.8707 10.8738 k = 0.3049 0.5000 0.3049 ( 6276 PWs) bands (ev): -48.6177 -48.6177 -26.2779 -26.2779 -24.2065 -24.2065 -24.2057 -24.2057 -6.5260 -6.5243 -6.3335 -6.3207 -6.2273 -6.2189 -6.1971 -6.1908 1.1267 1.1343 1.2748 1.2782 1.3437 1.3535 2.0449 2.0534 2.3313 2.3434 2.3601 2.3630 2.5080 2.5158 2.6139 2.6232 2.7060 2.7140 2.8471 2.8670 3.1196 3.1508 3.1725 3.1766 3.8951 3.9045 4.0614 4.1044 4.1418 4.1496 4.2047 4.2572 4.2742 4.3156 4.3232 4.3493 4.4473 4.4753 4.5434 4.5632 4.5997 4.6043 4.7557 4.8013 4.8212 4.8658 4.8992 4.9722 5.8876 5.8896 5.9570 5.9655 6.0029 6.0114 8.3148 8.3292 8.3339 8.3493 8.9287 8.9572 9.1876 9.2031 9.2730 9.2995 10.4815 10.4866 10.9243 10.9275 k = 0.2927 0.5000 0.2927 ( 6276 PWs) bands (ev): -48.6177 -48.6177 -26.2778 -26.2778 -24.2065 -24.2065 -24.2055 -24.2055 -6.5417 -6.5401 -6.3378 -6.3251 -6.2191 -6.2106 -6.1892 -6.1829 1.1167 1.1246 1.2820 1.2854 1.3588 1.3682 2.0565 2.0658 2.3246 2.3372 2.3561 2.3586 2.4970 2.5052 2.6190 2.6293 2.7116 2.7206 2.8292 2.8500 3.1335 3.1650 3.1872 3.1904 3.8830 3.8925 4.0610 4.1009 4.1384 4.1491 4.1996 4.2573 4.2778 4.3153 4.3230 4.3468 4.4579 4.4812 4.5526 4.5720 4.6026 4.6090 4.7661 4.8139 4.8261 4.8669 4.9200 4.9998 5.8604 5.8605 5.9294 5.9421 5.9701 5.9845 8.3142 8.3276 8.3294 8.3513 8.8988 8.9252 9.1682 9.1838 9.2610 9.2885 10.4900 10.4949 10.9814 10.9847 k = 0.2805 0.5000 0.2805 ( 6282 PWs) bands (ev): -48.6177 -48.6177 -26.2777 -26.2777 -24.2064 -24.2064 -24.2054 -24.2054 -6.5574 -6.5558 -6.3424 -6.3298 -6.2107 -6.2020 -6.1811 -6.1749 1.1056 1.1138 1.2888 1.2921 1.3738 1.3826 2.0671 2.0771 2.3186 2.3318 2.3527 2.3548 2.4862 2.4948 2.6256 2.6368 2.7175 2.7275 2.8115 2.8331 3.1485 3.1800 3.2022 3.2046 3.8711 3.8803 4.0604 4.0973 4.1349 4.1495 4.1941 4.2568 4.2821 4.3148 4.3226 4.3444 4.4691 4.4876 4.5605 4.5812 4.6051 4.6145 4.7716 4.8256 4.8341 4.8666 4.9410 5.0274 5.8304 5.8333 5.9030 5.9207 5.9375 5.9594 8.3082 8.3206 8.3322 8.3576 8.8698 8.8934 9.1458 9.1615 9.2471 9.2755 10.4996 10.5041 11.0416 11.0451 k = 0.2683 0.5000 0.2683 ( 6286 PWs) bands (ev): -48.6177 -48.6177 -26.2777 -26.2777 -24.2064 -24.2064 -24.2053 -24.2052 -6.5730 -6.5715 -6.3472 -6.3348 -6.2021 -6.1932 -6.1728 -6.1668 1.0936 1.1020 1.2951 1.2982 1.3883 1.3965 2.0766 2.0871 2.3134 2.3272 2.3499 2.3517 2.4756 2.4847 2.6337 2.6457 2.7237 2.7345 2.7944 2.8168 3.1645 3.1957 3.2177 3.2190 3.8597 3.8683 4.0597 4.0937 4.1314 4.1509 4.1884 4.2554 4.2869 4.3141 4.3221 4.3423 4.4807 4.4944 4.5664 4.5910 4.6073 4.6213 4.7709 4.8344 4.8465 4.8669 4.9622 5.0547 5.7984 5.8055 5.8787 5.9002 5.9073 5.9369 8.2994 8.3092 8.3398 8.3663 8.8424 8.8624 9.1209 9.1366 9.2316 9.2610 10.5097 10.5138 11.1042 11.1079 k = 0.2561 0.5000 0.2561 ( 6290 PWs) bands (ev): -48.6178 -48.6178 -26.2776 -26.2776 -24.2063 -24.2063 -24.2051 -24.2051 -6.5884 -6.5871 -6.3521 -6.3400 -6.1933 -6.1843 -6.1645 -6.1587 1.0807 1.0893 1.3007 1.3036 1.4023 1.4098 2.0851 2.0959 2.3091 2.3234 2.3477 2.3493 2.4655 2.4749 2.6427 2.6554 2.7300 2.7415 2.7782 2.8012 3.1816 3.2123 3.2336 3.2338 3.8487 3.8565 4.0587 4.0901 4.1278 4.1530 4.1827 4.2531 4.2921 4.3133 4.3218 4.3408 4.4925 4.5012 4.5701 4.6010 4.6095 4.6293 4.7652 4.8364 4.8627 4.8721 4.9833 5.0817 5.7637 5.7760 5.8568 5.8733 5.8881 5.9174 8.2888 8.2956 8.3493 8.3768 8.8171 8.8330 9.0938 9.1093 9.2149 9.2451 10.5201 10.5235 11.1686 11.1727 k = 0.2439 0.5000 0.2439 ( 6290 PWs) bands (ev): -48.6178 -48.6178 -26.2775 -26.2775 -24.2063 -24.2063 -24.2050 -24.2049 -6.6037 -6.6024 -6.3572 -6.3454 -6.1844 -6.1753 -6.1560 -6.1505 1.0671 1.0756 1.3056 1.3082 1.4156 1.4224 2.0926 2.1037 2.3058 2.3205 2.3461 2.3476 2.4557 2.4654 2.6521 2.6655 2.7364 2.7486 2.7633 2.7870 3.1997 3.2295 3.2489 3.2499 3.8384 3.8450 4.0573 4.0866 4.1243 4.1555 4.1771 4.2499 4.2973 4.3124 4.3218 4.3397 4.5043 4.5075 4.5717 4.6089 4.6143 4.6381 4.7559 4.8311 4.8813 4.8828 5.0045 5.1081 5.7263 5.7440 5.8376 5.8460 5.8750 5.9011 8.2764 8.2798 8.3603 8.3886 8.7947 8.8059 9.0647 9.0801 9.1970 9.2281 10.5301 10.5328 11.2341 11.2386 k = 0.2317 0.5000 0.2317 ( 6288 PWs) bands (ev): -48.6178 -48.6178 -26.2774 -26.2774 -24.2062 -24.2062 -24.2048 -24.2048 -6.6187 -6.6175 -6.3624 -6.3509 -6.1755 -6.1663 -6.1476 -6.1424 1.0527 1.0612 1.3097 1.3121 1.4281 1.4341 2.0993 2.1104 2.3035 2.3185 2.3451 2.3465 2.4464 2.4564 2.6613 2.6748 2.7424 2.7514 2.7553 2.7748 3.2187 3.2475 3.2643 3.2666 3.8286 3.8339 4.0555 4.0832 4.1209 4.1582 4.1719 4.2460 4.3023 4.3118 4.3222 4.3392 4.5130 4.5155 4.5719 4.6119 4.6246 4.6470 4.7444 4.8217 4.8964 4.9015 5.0255 5.1337 5.6866 5.7093 5.8206 5.8217 5.8651 5.8880 8.2618 8.2620 8.3726 8.4019 8.7754 8.7816 9.0342 9.0493 9.1783 9.2101 10.5393 10.5412 11.2998 11.3050 k = 0.2195 0.5000 0.2195 ( 6288 PWs) bands (ev): -48.6178 -48.6178 -26.2774 -26.2774 -24.2062 -24.2062 -24.2047 -24.2046 -6.6333 -6.6322 -6.3676 -6.3565 -6.1666 -6.1574 -6.1392 -6.1343 1.0377 1.0461 1.3131 1.3152 1.4397 1.4450 2.1052 2.1163 2.3022 2.3175 2.3445 2.3460 2.4376 2.4478 2.6692 2.6814 2.7406 2.7513 2.7593 2.7680 3.2385 3.2659 3.2801 3.2837 3.8194 3.8233 4.0531 4.0800 4.1179 4.1611 4.1671 4.2413 4.3053 4.3129 4.3230 4.3392 4.5173 4.5254 4.5717 4.6144 4.6362 4.6548 4.7320 4.8098 4.9113 4.9227 5.0464 5.1584 5.6450 5.6720 5.8007 5.8060 5.8580 5.8780 8.2416 8.2455 8.3862 8.4163 8.7596 8.7607 9.0026 9.0173 9.1588 9.1914 10.5473 10.5483 11.3650 11.3709 k = 0.2073 0.5000 0.2073 ( 6288 PWs) bands (ev): -48.6178 -48.6178 -26.2773 -26.2773 -24.2061 -24.2061 -24.2045 -24.2045 -6.6476 -6.6466 -6.3727 -6.3621 -6.1578 -6.1485 -6.1308 -6.1263 1.0223 1.0305 1.3157 1.3175 1.4504 1.4549 2.1105 2.1214 2.3019 2.3173 2.3444 2.3461 2.4293 2.4398 2.6745 2.6830 2.7385 2.7558 2.7581 2.7723 3.2590 3.2848 3.2964 3.3013 3.8107 3.8132 4.0502 4.0771 4.1154 4.1627 4.1638 4.2361 4.3051 4.3168 4.3242 4.3396 4.5201 4.5323 4.5729 4.6176 4.6482 4.6599 4.7207 4.7963 4.9270 4.9445 5.0670 5.1818 5.6022 5.6327 5.7830 5.7935 5.8531 5.8707 8.2195 8.2270 8.4008 8.4318 8.7434 8.7473 8.9703 8.9845 9.1387 9.1720 10.5537 10.5537 11.4286 11.4356 k = 0.1951 0.5000 0.1951 ( 6288 PWs) bands (ev): -48.6178 -48.6178 -26.2772 -26.2772 -24.2061 -24.2061 -24.2044 -24.2044 -6.6613 -6.6604 -6.3779 -6.3677 -6.1491 -6.1399 -6.1226 -6.1185 1.0066 1.0146 1.3175 1.3190 1.4600 1.4637 2.1151 2.1258 2.3026 2.3179 2.3447 2.3465 2.4215 2.4322 2.6762 2.6790 2.7425 2.7543 2.7653 2.7791 3.2801 3.3037 3.3133 3.3193 3.8025 3.8036 4.0468 4.0744 4.1136 4.1589 4.1662 4.2308 4.3034 4.3218 4.3257 4.3406 4.5213 4.5342 4.5778 4.6216 4.6592 4.6603 4.7137 4.7818 4.9432 4.9663 5.0873 5.2035 5.5586 5.5922 5.7685 5.7834 5.8502 5.8656 8.1958 8.2064 8.4165 8.4484 8.7297 8.7382 8.9378 8.9514 9.1182 9.1521 10.5572 10.5581 11.4898 11.4979 k = 0.1829 0.5000 0.1829 ( 6288 PWs) bands (ev): -48.6178 -48.6178 -26.2772 -26.2772 -24.2060 -24.2060 -24.2042 -24.2042 -6.6746 -6.6738 -6.3829 -6.3732 -6.1407 -6.1315 -6.1146 -6.1109 0.9908 0.9984 1.3185 1.3198 1.4686 1.4716 2.1191 2.1296 2.3042 2.3193 2.3452 2.3474 2.4143 2.4252 2.6719 2.6744 2.7502 2.7569 2.7727 2.7862 3.3014 3.3222 3.3311 3.3377 3.7944 3.7947 4.0432 4.0720 4.1128 4.1555 4.1685 4.2254 4.3009 4.3268 4.3275 4.3419 4.5209 4.5309 4.5864 4.6264 4.6508 4.6720 4.7133 4.7670 4.9597 4.9877 5.1070 5.2232 5.5146 5.5508 5.7572 5.7759 5.8489 5.8624 8.1709 8.1842 8.4332 8.4658 8.7196 8.7322 8.9055 8.9184 9.0974 9.1319 10.5585 10.5603 11.5474 11.5567 k = 0.1707 0.5000 0.1707 ( 6300 PWs) bands (ev): -48.6178 -48.6178 -26.2771 -26.2771 -24.2060 -24.2060 -24.2041 -24.2041 -6.6873 -6.6865 -6.3877 -6.3786 -6.1324 -6.1233 -6.1067 -6.1035 0.9749 0.9823 1.3189 1.3199 1.4762 1.4785 2.1225 2.1328 2.3066 2.3214 2.3460 2.3485 2.4077 2.4187 2.6641 2.6701 2.7593 2.7623 2.7804 2.7932 3.3227 3.3401 3.3499 3.3565 3.7856 3.7872 4.0395 4.0699 4.1128 4.1527 4.1703 4.2202 4.2979 4.3294 4.3314 4.3435 4.5190 4.5242 4.5968 4.6320 4.6372 4.6825 4.7177 4.7530 4.9763 5.0081 5.1260 5.2405 5.4705 5.5092 5.7491 5.7713 5.8490 5.8606 8.1453 8.1607 8.4506 8.4841 8.7125 8.7285 8.8740 8.8860 9.0762 9.1112 10.5575 10.5601 11.6003 11.6110 k = 0.1585 0.5000 0.1585 ( 6292 PWs) bands (ev): -48.6178 -48.6178 -26.2770 -26.2770 -24.2059 -24.2059 -24.2040 -24.2040 -6.6993 -6.6986 -6.3924 -6.3838 -6.1245 -6.1156 -6.0992 -6.0963 0.9593 0.9663 1.3187 1.3195 1.4828 1.4845 2.1254 2.1354 2.3096 2.3240 2.3470 2.3499 2.4016 2.4127 2.6567 2.6649 2.7684 2.7693 2.7882 2.8001 3.3439 3.3574 3.3695 3.3757 3.7773 3.7798 4.0363 4.0682 4.1137 4.1506 4.1719 4.2155 4.2944 4.3315 4.3357 4.3453 4.5153 4.5159 4.6044 4.6249 4.6380 4.6896 4.7244 4.7424 4.9929 5.0274 5.1441 5.2551 5.4270 5.4678 5.7444 5.7698 5.8500 5.8600 8.1196 8.1363 8.4686 8.5030 8.7077 8.7265 8.8442 8.8551 9.0549 9.0903 10.5539 10.5572 11.6472 11.6593 k = 0.1463 0.5000 0.1463 ( 6300 PWs) bands (ev): -48.6179 -48.6179 -26.2770 -26.2770 -24.2059 -24.2059 -24.2038 -24.2038 -6.7107 -6.7101 -6.3969 -6.3888 -6.1168 -6.1082 -6.0919 -6.0895 0.9441 0.9506 1.3180 1.3186 1.4884 1.4896 2.1279 2.1374 2.3132 2.3271 2.3480 2.3514 2.3961 2.4074 2.6502 2.6597 2.7767 2.7771 2.7960 2.8068 3.3646 3.3744 3.3892 3.3952 3.7692 3.7725 4.0336 4.0668 4.1154 4.1490 4.1730 4.2115 4.2903 4.3337 4.3394 4.3470 4.5049 4.5118 4.5947 4.6291 4.6435 4.6899 4.7319 4.7393 5.0091 5.0451 5.1606 5.2664 5.3843 5.4270 5.7432 5.7715 5.8519 5.8602 8.0941 8.1116 8.4872 8.5224 8.7040 8.7248 8.8169 8.8267 9.0334 9.0692 10.5480 10.5519 11.6866 11.7000 k = 0.1341 0.5000 0.1341 ( 6304 PWs) bands (ev): -48.6179 -48.6179 -26.2769 -26.2769 -24.2059 -24.2059 -24.2037 -24.2037 -6.7213 -6.7208 -6.4011 -6.3936 -6.1096 -6.1013 -6.0850 -6.0830 0.9294 0.9354 1.3169 1.3173 1.4931 1.4939 2.1298 2.1389 2.3172 2.3304 2.3491 2.3529 2.3912 2.4025 2.6448 2.6549 2.7841 2.7850 2.8036 2.8132 3.3847 3.3911 3.4088 3.4147 3.7614 3.7651 4.0319 4.0656 4.1179 4.1482 4.1738 4.2082 4.2857 4.3361 4.3426 4.3483 4.4937 4.5071 4.5767 4.6418 4.6462 4.6848 4.7397 4.7447 5.0247 5.0611 5.1752 5.2739 5.3434 5.3871 5.7455 5.7763 5.8543 5.8610 8.0692 8.0870 8.5061 8.5422 8.6997 8.7212 8.7942 8.8032 9.0118 9.0479 10.5397 10.5441 11.7169 11.7306 k = 0.1220 0.5000 0.1220 ( 6304 PWs) bands (ev): -48.6179 -48.6179 -26.2769 -26.2769 -24.2058 -24.2058 -24.2036 -24.2036 -6.7312 -6.7307 -6.4050 -6.3982 -6.1028 -6.0949 -6.0786 -6.0769 0.9153 0.9209 1.3154 1.3157 1.4970 1.4975 2.1313 2.1398 2.3215 2.3340 2.3503 2.3545 2.3869 2.3982 2.6406 2.6509 2.7911 2.7923 2.8110 2.8193 3.4039 3.4076 3.4280 3.4341 3.7538 3.7576 4.0315 4.0649 4.1208 4.1484 4.1743 4.2058 4.2804 4.3386 4.3453 4.3490 4.4820 4.5020 4.5576 4.6412 4.6558 4.6831 4.7476 4.7545 5.0397 5.0753 5.1877 5.2752 5.3069 5.3486 5.7512 5.7840 5.8571 5.8622 8.0455 8.0630 8.5250 8.5619 8.6924 8.7126 8.7783 8.7877 8.9901 9.0265 10.5295 10.5341 11.7353 11.7467 k = 0.1098 0.5000 0.1098 ( 6310 PWs) bands (ev): -48.6179 -48.6179 -26.2768 -26.2768 -24.2058 -24.2058 -24.2035 -24.2035 -6.7402 -6.7398 -6.4086 -6.4024 -6.0965 -6.0891 -6.0726 -6.0712 0.9022 0.9073 1.3137 1.3139 1.5002 1.5003 2.1323 2.1403 2.3257 2.3374 2.3515 2.3559 2.3832 2.3944 2.6376 2.6477 2.7976 2.7988 2.8178 2.8249 3.4223 3.4237 3.4466 3.4529 3.7463 3.7498 4.0325 4.0644 4.1240 4.1497 4.1748 4.2042 4.2746 4.3412 4.3475 4.3485 4.4706 4.4966 4.5386 4.6281 4.6705 4.6880 4.7552 4.7656 5.0536 5.0876 5.1976 5.2563 5.2896 5.3118 5.7599 5.7942 5.8603 5.8637 8.0232 8.0399 8.5433 8.5810 8.6809 8.6983 8.7705 8.7813 8.9684 9.0048 10.5177 10.5224 11.7384 11.7428 k = 0.0976 0.5000 0.0976 ( 6324 PWs) bands (ev): -48.6180 -48.6180 -26.2768 -26.2768 -24.2058 -24.2058 -24.2034 -24.2034 -6.7484 -6.7481 -6.4119 -6.4063 -6.0906 -6.0838 -6.0671 -6.0659 0.8900 0.8946 1.3119 1.3120 1.5027 1.5027 2.1330 2.1404 2.3299 2.3408 2.3526 2.3571 2.3802 2.3910 2.6357 2.6452 2.8034 2.8046 2.8240 2.8300 3.4393 3.4396 3.4642 3.4710 3.7389 3.7418 4.0349 4.0642 4.1275 4.1524 4.1753 4.2031 4.2683 4.3434 4.3467 4.3493 4.4599 4.4911 4.5204 4.6110 4.6854 4.6963 4.7624 4.7771 5.0662 5.0980 5.2046 5.2238 5.2775 5.2859 5.7711 5.8060 5.8635 5.8651 8.0026 8.0183 8.5602 8.5978 8.6675 8.6825 8.7696 8.7812 8.9467 8.9831 10.5048 10.5094 11.7236 11.7263 k = 0.0854 0.5000 0.0854 ( 6316 PWs) bands (ev): -48.6180 -48.6180 -26.2768 -26.2768 -24.2057 -24.2057 -24.2033 -24.2033 -6.7557 -6.7554 -6.4148 -6.4099 -6.0853 -6.0792 -6.0621 -6.0612 0.8790 0.8830 1.3101 1.3101 1.5045 1.5047 2.1334 2.1400 2.3338 2.3438 2.3539 2.3582 2.3778 2.3881 2.6347 2.6436 2.8085 2.8097 2.8296 2.8345 3.4542 3.4557 3.4808 3.4880 3.7316 3.7337 4.0386 4.0644 4.1311 4.1566 4.1761 4.2024 4.2617 4.3403 4.3480 4.3508 4.4508 4.4856 4.5036 4.5922 4.7006 4.7061 4.7691 4.7881 5.0772 5.1065 5.1923 5.2078 5.2475 5.2822 5.7841 5.8188 5.8667 5.8669 7.9840 7.9983 8.5732 8.6080 8.6569 8.6725 8.7728 8.7844 8.9251 8.9613 10.4913 10.4957 11.6994 11.7059 k = 0.0732 0.5000 0.0732 ( 6320 PWs) bands (ev): -48.6180 -48.6180 -26.2767 -26.2767 -24.2057 -24.2057 -24.2033 -24.2033 -6.7621 -6.7619 -6.4173 -6.4131 -6.0806 -6.0752 -6.0577 -6.0570 0.8692 0.8727 1.3083 1.3083 1.5059 1.5062 2.1336 2.1395 2.3373 2.3464 2.3552 2.3591 2.3761 2.3855 2.6344 2.6424 2.8130 2.8142 2.8344 2.8384 3.4682 3.4704 3.4961 3.5035 3.7244 3.7256 4.0433 4.0647 4.1351 4.1623 4.1772 4.2018 4.2549 4.3326 4.3511 4.3520 4.4439 4.4801 4.4888 4.5728 4.7158 4.7165 4.7749 4.7981 5.0857 5.1127 5.1651 5.2005 5.2292 5.2771 5.7980 5.8314 5.8684 5.8704 7.9676 7.9802 8.5786 8.6056 8.6546 8.6761 8.7782 8.7887 8.9037 8.9395 10.4780 10.4820 11.6760 11.6837 k = 0.0610 0.5000 0.0610 ( 6320 PWs) bands (ev): -48.6180 -48.6180 -26.2767 -26.2767 -24.2057 -24.2057 -24.2032 -24.2032 -6.7676 -6.7674 -6.4194 -6.4158 -6.0765 -6.0719 -6.0539 -6.0534 0.8608 0.8637 1.3066 1.3067 1.5070 1.5073 2.1337 2.1387 2.3404 2.3484 2.3565 2.3599 2.3750 2.3833 2.6348 2.6417 2.8168 2.8180 2.8384 2.8417 3.4809 3.4834 3.5099 3.5173 3.7175 3.7178 4.0484 4.0652 4.1399 4.1692 4.1786 4.2009 4.2484 4.3217 4.3530 4.3541 4.4396 4.4748 4.4766 4.5532 4.7270 4.7307 4.7798 4.8066 5.0899 5.1162 5.1447 5.1806 5.2261 5.2710 5.8118 5.8430 5.8702 5.8738 7.9535 7.9643 8.5754 8.5943 8.6628 8.6903 8.7844 8.7931 8.8826 8.9176 10.4654 10.4689 11.6554 11.6630 k = 0.0488 0.5000 0.0488 ( 6324 PWs) bands (ev): -48.6180 -48.6180 -26.2767 -26.2767 -24.2057 -24.2057 -24.2032 -24.2032 -6.7721 -6.7719 -6.4211 -6.4182 -6.0730 -6.0692 -6.0508 -6.0504 0.8538 0.8562 1.3052 1.3052 1.5078 1.5081 2.1337 2.1378 2.3429 2.3496 2.3579 2.3605 2.3745 2.3814 2.6355 2.6413 2.8200 2.8210 2.8418 2.8444 3.4922 3.4946 3.5220 3.5290 3.7104 3.7109 4.0534 4.0658 4.1456 4.1768 4.1803 4.1996 4.2425 4.3083 4.3540 4.3567 4.4380 4.4677 4.4698 4.5339 4.7374 4.7450 4.7837 4.8129 5.0873 5.1153 5.1345 5.1619 5.2271 5.2642 5.8246 5.8520 5.8728 5.8772 7.9420 7.9508 8.5678 8.5812 8.6777 8.7085 8.7908 8.7968 8.8620 8.8957 10.4542 10.4571 11.6384 11.6450 k = 0.0366 0.5000 0.0366 ( 6328 PWs) bands (ev): -48.6180 -48.6180 -26.2767 -26.2767 -24.2057 -24.2057 -24.2031 -24.2031 -6.7756 -6.7754 -6.4223 -6.4201 -6.0701 -6.0672 -6.0483 -6.0481 0.8484 0.8502 1.3040 1.3041 1.5084 1.5087 2.1338 2.1369 2.3449 2.3501 2.3592 2.3612 2.3745 2.3798 2.6364 2.6409 2.8225 2.8234 2.8444 2.8463 3.5015 3.5035 3.5323 3.5384 3.7041 3.7050 4.0579 4.0663 4.1524 4.1819 4.1846 4.1977 4.2381 4.2932 4.3550 4.3585 4.4391 4.4622 4.4650 4.5154 4.7470 4.7577 4.7871 4.8163 5.0800 5.1079 5.1332 5.1505 5.2290 5.2573 5.8357 5.8573 5.8767 5.8804 7.9332 7.9399 8.5600 8.5693 8.6956 8.7275 8.7967 8.7994 8.8428 8.8740 10.4449 10.4471 11.6253 11.6306 k = 0.0244 0.5000 0.0244 ( 6338 PWs) bands (ev): -48.6181 -48.6181 -26.2767 -26.2767 -24.2057 -24.2057 -24.2031 -24.2031 -6.7781 -6.7780 -6.4231 -6.4216 -6.0679 -6.0660 -6.0465 -6.0464 0.8446 0.8457 1.3031 1.3032 1.5088 1.5090 2.1340 2.1360 2.3465 2.3500 2.3604 2.3617 2.3748 2.3783 2.6375 2.6405 2.8243 2.8250 2.8463 2.8476 3.5086 3.5101 3.5405 3.5450 3.6992 3.7002 4.0615 4.0666 4.1600 4.1824 4.1912 4.1959 4.2368 4.2775 4.3561 4.3592 4.4427 4.4604 4.4606 4.4982 4.7557 4.7668 4.7914 4.8162 5.0740 5.0960 5.1354 5.1455 5.2314 5.2505 5.8446 5.8590 5.8810 5.8832 7.9271 7.9317 8.5539 8.5599 8.7144 8.7444 8.8005 8.8019 8.8267 8.8526 10.4381 10.4396 11.6161 11.6198 k = 0.0122 0.5000 0.0122 ( 6334 PWs) bands (ev): -48.6181 -48.6181 -26.2766 -26.2766 -24.2057 -24.2057 -24.2031 -24.2031 -6.7796 -6.7795 -6.4234 -6.4227 -6.0664 -6.0654 -6.0454 -6.0454 0.8424 0.8430 1.3026 1.3026 1.5091 1.5092 2.1342 2.1353 2.3477 2.3495 2.3613 2.3620 2.3754 2.3771 2.6385 2.6400 2.8256 2.8259 2.8476 2.8483 3.5131 3.5139 3.5461 3.5485 3.6962 3.6968 4.0641 4.0664 4.1678 4.1802 4.1951 4.1954 4.2404 4.2625 4.3572 4.3591 4.4477 4.4565 4.4629 4.4829 4.7629 4.7699 4.7983 4.8127 5.0725 5.0845 5.1383 5.1430 5.2348 5.2444 5.8512 5.8583 5.8842 5.8851 7.9239 7.9262 8.5506 8.5535 8.7327 8.7534 8.8029 8.8063 8.8163 8.8323 10.4340 10.4347 11.6111 11.6129 k = 0.0000 0.5000-0.0000 ( 6302 PWs) bands (ev): -48.6179 -48.6179 -26.2766 -26.2766 -24.2056 -24.2056 -24.2031 -24.2031 -6.7800 -6.7800 -6.4233 -6.4233 -6.0655 -6.0655 -6.0450 -6.0450 0.8418 0.8418 1.3024 1.3024 1.5092 1.5092 2.1347 2.1347 2.3488 2.3488 2.3618 2.3618 2.3762 2.3762 2.6393 2.6393 2.8261 2.8261 2.8483 2.8483 3.5150 3.5150 3.5489 3.5489 3.6955 3.6955 4.0657 4.0657 4.1750 4.1750 4.1959 4.1959 4.2496 4.2496 4.3584 4.3584 4.4526 4.4526 4.4707 4.4707 4.7680 4.7680 4.8063 4.8063 5.0763 5.0763 5.1409 5.1409 5.2391 5.2391 5.8557 5.8557 5.8856 5.8856 7.9237 7.9237 8.5504 8.5504 8.7478 8.7478 8.8097 8.8097 8.8152 8.8152 10.4328 10.4328 11.6100 11.6100 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -48.6176 -48.6176 -26.2775 -26.2775 -24.2069 -24.2069 -24.2044 -24.2044 -6.5138 -6.5138 -6.3224 -6.3224 -6.2922 -6.2922 -6.1729 -6.1729 1.2114 1.2114 1.3469 1.3469 1.3611 1.3611 2.2979 2.2979 2.3744 2.3744 2.4625 2.4625 2.4639 2.4639 2.4709 2.4709 2.6378 2.6378 2.8048 2.8048 3.0606 3.0606 3.0901 3.0901 3.8321 3.8321 4.1217 4.1217 4.1522 4.1522 4.1983 4.1983 4.3199 4.3199 4.3538 4.3538 4.3549 4.3549 4.7460 4.7460 4.7816 4.7816 4.8227 4.8227 4.8828 4.8828 4.9372 4.9372 5.5125 5.5125 5.5202 5.5202 6.1071 6.1071 8.4603 8.4603 8.4958 8.4958 8.5396 8.5396 9.1852 9.1852 9.1855 9.1855 11.2607 11.2607 11.2643 11.2643 k = 0.5000 0.5000 0.0172 ( 6256 PWs) bands (ev): -48.6176 -48.6176 -26.2775 -26.2775 -24.2069 -24.2069 -24.2044 -24.2044 -6.5135 -6.5135 -6.3224 -6.3224 -6.2921 -6.2921 -6.1731 -6.1731 1.2115 1.2115 1.3464 1.3464 1.3606 1.3606 2.2981 2.2981 2.3735 2.3735 2.4623 2.4623 2.4634 2.4634 2.4670 2.4670 2.6434 2.6434 2.8045 2.8045 3.0606 3.0606 3.0901 3.0901 3.8327 3.8327 4.1219 4.1219 4.1512 4.1512 4.1991 4.1991 4.3194 4.3194 4.3511 4.3511 4.3575 4.3575 4.7442 4.7442 4.7820 4.7820 4.8222 4.8222 4.8821 4.8821 4.9376 4.9376 5.5129 5.5129 5.5239 5.5239 6.1076 6.1076 8.4502 8.4502 8.4947 8.4947 8.5520 8.5520 9.1854 9.1854 9.1866 9.1866 11.2577 11.2577 11.2613 11.2613 k = 0.5000 0.5000 0.0345 ( 6256 PWs) bands (ev): -48.6176 -48.6176 -26.2775 -26.2775 -24.2069 -24.2069 -24.2044 -24.2044 -6.5125 -6.5125 -6.3223 -6.3223 -6.2921 -6.2921 -6.1735 -6.1735 1.2117 1.2117 1.3449 1.3449 1.3592 1.3592 2.2990 2.2990 2.3706 2.3706 2.4507 2.4507 2.4633 2.4633 2.4670 2.4670 2.6582 2.6582 2.8034 2.8034 3.0606 3.0606 3.0900 3.0900 3.8346 3.8346 4.1225 4.1225 4.1485 4.1485 4.2014 4.2014 4.3182 4.3182 4.3480 4.3480 4.3604 4.3604 4.7392 4.7392 4.7826 4.7826 4.8207 4.8207 4.8800 4.8800 4.9386 4.9386 5.5161 5.5161 5.5333 5.5333 6.1092 6.1092 8.4286 8.4286 8.4931 8.4931 8.5787 8.5787 9.1866 9.1866 9.1889 9.1889 11.2488 11.2488 11.2524 11.2524 k = 0.5000 0.5000 0.0517 ( 6256 PWs) bands (ev): -48.6176 -48.6176 -26.2776 -26.2776 -24.2069 -24.2069 -24.2044 -24.2044 -6.5109 -6.5109 -6.3222 -6.3222 -6.2920 -6.2920 -6.1743 -6.1743 1.2120 1.2120 1.3424 1.3424 1.3567 1.3567 2.3004 2.3004 2.3646 2.3646 2.4330 2.4330 2.4646 2.4646 2.4695 2.4695 2.6785 2.6785 2.8017 2.8017 3.0605 3.0605 3.0900 3.0900 3.8376 3.8376 4.1234 4.1234 4.1446 4.1446 4.2047 4.2047 4.3159 4.3159 4.3451 4.3451 4.3631 4.3631 4.7319 4.7319 4.7825 4.7825 4.8183 4.8183 4.8767 4.8767 4.9400 4.9400 5.5232 5.5232 5.5469 5.5469 6.1117 6.1117 8.4043 8.4043 8.4914 8.4914 8.6107 8.6107 9.1890 9.1890 9.1925 9.1925 11.2342 11.2342 11.2376 11.2376 k = 0.5000 0.5000 0.0690 ( 6280 PWs) bands (ev): -48.6177 -48.6177 -26.2776 -26.2776 -24.2069 -24.2069 -24.2045 -24.2045 -6.5087 -6.5087 -6.3220 -6.3220 -6.2918 -6.2918 -6.1755 -6.1755 1.2123 1.2123 1.3389 1.3389 1.3534 1.3534 2.3024 2.3024 2.3537 2.3537 2.4160 2.4160 2.4665 2.4665 2.4727 2.4727 2.7018 2.7018 2.7993 2.7993 3.0605 3.0605 3.0899 3.0899 3.8417 3.8417 4.1240 4.1240 4.1404 4.1404 4.2085 4.2085 4.3126 4.3126 4.3427 4.3427 4.3654 4.3654 4.7229 4.7229 4.7809 4.7809 4.8152 4.8152 4.8721 4.8721 4.9416 4.9416 5.5345 5.5345 5.5642 5.5642 6.1153 6.1153 8.3800 8.3800 8.4893 8.4893 8.6452 8.6452 9.1925 9.1925 9.1971 9.1971 11.2142 11.2142 11.2173 11.2173 k = 0.5000 0.5000 0.0862 ( 6272 PWs) bands (ev): -48.6177 -48.6177 -26.2776 -26.2776 -24.2069 -24.2069 -24.2046 -24.2046 -6.5058 -6.5058 -6.3217 -6.3217 -6.2916 -6.2916 -6.1769 -6.1769 1.2127 1.2127 1.3344 1.3344 1.3492 1.3492 2.3049 2.3049 2.3361 2.3361 2.4034 2.4034 2.4693 2.4693 2.4768 2.4768 2.7262 2.7262 2.7963 2.7963 3.0604 3.0604 3.0897 3.0897 3.8470 3.8470 4.1234 4.1234 4.1374 4.1374 4.2127 4.2127 4.3085 4.3085 4.3410 4.3410 4.3676 4.3676 4.7127 4.7127 4.7778 4.7778 4.8115 4.8115 4.8665 4.8665 4.9430 4.9430 5.5502 5.5502 5.5850 5.5850 6.1197 6.1197 8.3571 8.3571 8.4867 8.4867 8.6815 8.6815 9.1970 9.1970 9.2026 9.2026 11.1891 11.1891 11.1920 11.1920 k = 0.5000 0.5000 0.1034 ( 6264 PWs) bands (ev): -48.6176 -48.6176 -26.2776 -26.2776 -24.2069 -24.2069 -24.2046 -24.2046 -6.5023 -6.5023 -6.3214 -6.3214 -6.2914 -6.2914 -6.1787 -6.1787 1.2131 1.2131 1.3292 1.3292 1.3441 1.3441 2.3079 2.3079 2.3126 2.3126 2.3954 2.3954 2.4728 2.4728 2.4815 2.4815 2.7510 2.7510 2.7926 2.7926 3.0602 3.0602 3.0895 3.0895 3.8534 3.8534 4.1202 4.1202 4.1371 4.1371 4.2169 4.2169 4.3035 4.3035 4.3399 4.3399 4.3697 4.3697 4.7015 4.7015 4.7729 4.7729 4.8068 4.8068 4.8600 4.8600 4.9440 4.9440 5.5700 5.5700 5.6091 5.6091 6.1251 6.1251 8.3358 8.3358 8.4836 8.4836 8.7190 8.7190 9.2022 9.2022 9.2089 9.2089 11.1594 11.1594 11.1621 11.1621 k = 0.5000 0.5000 0.1207 ( 6284 PWs) bands (ev): -48.6177 -48.6177 -26.2777 -26.2777 -24.2070 -24.2070 -24.2047 -24.2047 -6.4982 -6.4982 -6.3211 -6.3211 -6.2911 -6.2911 -6.1808 -6.1808 1.2134 1.2134 1.3231 1.3231 1.3383 1.3383 2.2855 2.2855 2.3115 2.3115 2.3903 2.3903 2.4770 2.4770 2.4870 2.4870 2.7755 2.7755 2.7884 2.7884 3.0600 3.0600 3.0892 3.0892 3.8607 3.8607 4.1150 4.1150 4.1391 4.1391 4.2210 4.2210 4.2979 4.2979 4.3392 4.3392 4.3716 4.3716 4.6895 4.6895 4.7666 4.7666 4.8010 4.8010 4.8527 4.8527 4.9442 4.9442 5.5937 5.5937 5.6361 5.6361 6.1313 6.1313 8.3164 8.3164 8.4800 8.4800 8.7573 8.7573 9.2082 9.2082 9.2158 9.2158 11.1257 11.1257 11.1283 11.1283 k = 0.5000 0.5000 0.1379 ( 6284 PWs) bands (ev): -48.6177 -48.6177 -26.2777 -26.2777 -24.2070 -24.2070 -24.2048 -24.2048 -6.4935 -6.4935 -6.3207 -6.3207 -6.2908 -6.2908 -6.1832 -6.1832 1.2137 1.2137 1.3163 1.3163 1.3318 1.3318 2.2569 2.2569 2.3156 2.3156 2.3869 2.3869 2.4820 2.4820 2.4932 2.4932 2.7834 2.7834 2.7996 2.7996 3.0597 3.0597 3.0887 3.0887 3.8690 3.8690 4.1089 4.1089 4.1422 4.1422 4.2249 4.2249 4.2920 4.2920 4.3390 4.3390 4.3735 4.3735 4.6768 4.6768 4.7591 4.7591 4.7939 4.7939 4.8449 4.8449 4.9435 4.9435 5.6211 5.6211 5.6659 5.6659 6.1382 6.1382 8.2992 8.2992 8.4760 8.4760 8.7962 8.7962 9.2145 9.2145 9.2231 9.2231 11.0886 11.0886 11.0913 11.0913 k = 0.5000 0.5000 0.1552 ( 6284 PWs) bands (ev): -48.6177 -48.6177 -26.2778 -26.2778 -24.2070 -24.2070 -24.2050 -24.2050 -6.4883 -6.4883 -6.3202 -6.3202 -6.2905 -6.2905 -6.1860 -6.1860 1.2137 1.2137 1.3089 1.3089 1.3247 1.3247 2.2276 2.2276 2.3202 2.3202 2.3846 2.3846 2.4876 2.4876 2.5000 2.5000 2.7780 2.7780 2.8227 2.8227 3.0592 3.0592 3.0880 3.0880 3.8780 3.8780 4.1028 4.1028 4.1461 4.1461 4.2286 4.2286 4.2860 4.2860 4.3392 4.3392 4.3756 4.3756 4.6634 4.6634 4.7508 4.7508 4.7852 4.7852 4.8367 4.8367 4.9416 4.9416 5.6518 5.6518 5.6981 5.6981 6.1458 6.1458 8.2844 8.2844 8.4716 8.4716 8.8355 8.8355 9.2211 9.2211 9.2305 9.2305 11.0488 11.0488 11.0517 11.0517 k = 0.5000 0.5000 0.1724 ( 6296 PWs) bands (ev): -48.6178 -48.6178 -26.2778 -26.2778 -24.2070 -24.2070 -24.2051 -24.2051 -6.4826 -6.4826 -6.3198 -6.3198 -6.2902 -6.2902 -6.1891 -6.1891 1.2135 1.2135 1.3010 1.3010 1.3171 1.3171 2.1982 2.1982 2.3252 2.3252 2.3831 2.3831 2.4940 2.4940 2.5074 2.5074 2.7720 2.7720 2.8448 2.8448 3.0586 3.0586 3.0872 3.0872 3.8877 3.8877 4.0967 4.0967 4.1504 4.1504 4.2317 4.2317 4.2802 4.2802 4.3397 4.3397 4.3778 4.3778 4.6495 4.6495 4.7417 4.7417 4.7750 4.7750 4.8281 4.8281 4.9384 4.9384 5.6854 5.6854 5.7325 5.7325 6.1540 6.1540 8.2722 8.2722 8.4668 8.4668 8.8747 8.8747 9.2277 9.2277 9.2378 9.2378 11.0070 11.0070 11.0103 11.0103 k = 0.5000 0.5000 0.1897 ( 6296 PWs) bands (ev): -48.6178 -48.6178 -26.2779 -26.2779 -24.2070 -24.2070 -24.2052 -24.2052 -6.4764 -6.4764 -6.3193 -6.3193 -6.2898 -6.2898 -6.1925 -6.1925 1.2131 1.2131 1.2926 1.2926 1.3091 1.3091 2.1692 2.1692 2.3308 2.3308 2.3825 2.3825 2.5009 2.5009 2.5154 2.5154 2.7656 2.7656 2.8658 2.8658 3.0579 3.0579 3.0861 3.0861 3.8980 3.8980 4.0910 4.0910 4.1551 4.1551 4.2343 4.2343 4.2747 4.2747 4.3404 4.3404 4.3803 4.3803 4.6351 4.6351 4.7321 4.7321 4.7636 4.7636 4.8194 4.8194 4.9336 4.9336 5.7215 5.7215 5.7687 5.7687 6.1627 6.1627 8.2625 8.2625 8.4618 8.4618 8.9136 8.9136 9.2340 9.2340 9.2447 9.2447 10.9640 10.9640 10.9679 10.9679 k = 0.5000 0.5000 0.2069 ( 6312 PWs) bands (ev): -48.6178 -48.6178 -26.2779 -26.2779 -24.2070 -24.2070 -24.2053 -24.2053 -6.4697 -6.4697 -6.3188 -6.3188 -6.2894 -6.2894 -6.1963 -6.1963 1.2123 1.2123 1.2841 1.2841 1.3008 1.3008 2.1407 2.1407 2.3367 2.3367 2.3826 2.3826 2.5084 2.5084 2.5239 2.5239 2.7588 2.7588 2.8856 2.8856 3.0569 3.0569 3.0847 3.0847 3.9085 3.9085 4.0860 4.0860 4.1601 4.1601 4.2361 4.2361 4.2700 4.2700 4.3412 4.3412 4.3831 4.3831 4.6203 4.6203 4.7218 4.7218 4.7511 4.7511 4.8104 4.8104 4.9272 4.9272 5.7595 5.7595 5.8065 5.8065 6.1717 6.1717 8.2555 8.2555 8.4564 8.4564 8.9518 8.9518 9.2397 9.2397 9.2510 9.2510 10.9206 10.9206 10.9251 10.9251 k = 0.5000 0.5000 0.2241 ( 6296 PWs) bands (ev): -48.6178 -48.6178 -26.2780 -26.2780 -24.2070 -24.2070 -24.2055 -24.2055 -6.4626 -6.4626 -6.3182 -6.3182 -6.2890 -6.2890 -6.2004 -6.2004 1.2112 1.2112 1.2753 1.2753 1.2922 1.2922 2.1130 2.1130 2.3430 2.3430 2.3835 2.3835 2.5164 2.5164 2.5329 2.5329 2.7516 2.7516 2.9041 2.9041 3.0558 3.0558 3.0831 3.0831 3.9192 3.9192 4.0819 4.0819 4.1654 4.1654 4.2369 4.2369 4.2665 4.2665 4.3421 4.3421 4.3864 4.3864 4.6054 4.6054 4.7108 4.7108 4.7383 4.7383 4.8013 4.8013 4.9190 4.9190 5.7992 5.7992 5.8454 5.8454 6.1811 6.1811 8.2514 8.2514 8.4509 8.4509 8.9888 8.9888 9.2446 9.2446 9.2564 9.2564 10.8775 10.8775 10.8827 10.8827 k = 0.5000 0.5000 0.2414 ( 6288 PWs) bands (ev): -48.6177 -48.6177 -26.2780 -26.2780 -24.2070 -24.2070 -24.2056 -24.2056 -6.4551 -6.4551 -6.3177 -6.3177 -6.2886 -6.2886 -6.2048 -6.2048 1.2096 1.2096 1.2666 1.2666 1.2836 1.2836 2.0863 2.0863 2.3497 2.3497 2.3853 2.3853 2.5248 2.5248 2.5423 2.5423 2.7441 2.7441 2.9214 2.9214 3.0545 3.0545 3.0812 3.0812 3.9297 3.9297 4.0790 4.0790 4.1708 4.1708 4.2363 4.2363 4.2644 4.2644 4.3429 4.3429 4.3900 4.3900 4.5905 4.5905 4.6989 4.6989 4.7256 4.7256 4.7919 4.7919 4.9090 4.9090 5.8400 5.8400 5.8851 5.8851 6.1906 6.1906 8.2499 8.2499 8.4453 8.4453 9.0242 9.0242 9.2484 9.2484 9.2606 9.2606 10.8355 10.8355 10.8413 10.8413 k = 0.5000 0.5000 0.2586 ( 6284 PWs) bands (ev): -48.6177 -48.6177 -26.2780 -26.2780 -24.2070 -24.2070 -24.2058 -24.2058 -6.4472 -6.4472 -6.3172 -6.3172 -6.2882 -6.2882 -6.2095 -6.2095 1.2076 1.2076 1.2579 1.2579 1.2749 1.2749 2.0607 2.0607 2.3567 2.3567 2.3878 2.3878 2.5335 2.5335 2.5520 2.5520 2.7362 2.7362 2.9374 2.9374 3.0531 3.0531 3.0790 3.0790 3.9396 3.9396 4.0775 4.0775 4.1763 4.1763 4.2345 4.2345 4.2638 4.2638 4.3434 4.3434 4.3941 4.3941 4.5756 4.5756 4.6858 4.6858 4.7136 4.7136 4.7824 4.7824 4.8973 4.8973 5.8815 5.8815 5.9252 5.9252 6.2003 6.2003 8.2513 8.2513 8.4396 8.4396 9.0575 9.0575 9.2510 9.2510 9.2634 9.2634 10.7951 10.7951 10.8015 10.8015 k = 0.5000 0.5000 0.2759 ( 6284 PWs) bands (ev): -48.6177 -48.6177 -26.2781 -26.2781 -24.2070 -24.2070 -24.2059 -24.2059 -6.4390 -6.4390 -6.3167 -6.3167 -6.2878 -6.2878 -6.2146 -6.2146 1.2052 1.2052 1.2496 1.2496 1.2663 1.2663 2.0364 2.0364 2.3639 2.3639 2.3911 2.3911 2.5425 2.5425 2.5618 2.5618 2.7283 2.7283 2.9520 2.9520 3.0514 3.0514 3.0765 3.0765 3.9486 3.9486 4.0779 4.0779 4.1819 4.1819 4.2319 4.2319 4.2645 4.2645 4.3436 4.3436 4.3987 4.3987 4.5612 4.5612 4.6715 4.6715 4.7027 4.7027 4.7727 4.7727 4.8837 4.8837 5.9230 5.9230 5.9653 5.9653 6.2099 6.2099 8.2553 8.2553 8.4339 8.4339 9.0881 9.0881 9.2521 9.2521 9.2646 9.2646 10.7569 10.7569 10.7638 10.7638 k = 0.5000 0.5000 0.2931 ( 6276 PWs) bands (ev): -48.6176 -48.6176 -26.2781 -26.2781 -24.2070 -24.2070 -24.2060 -24.2060 -6.4306 -6.4306 -6.3162 -6.3162 -6.2874 -6.2874 -6.2199 -6.2199 1.2022 1.2022 1.2417 1.2417 1.2579 1.2579 2.0134 2.0134 2.3713 2.3713 2.3950 2.3950 2.5516 2.5516 2.5718 2.5718 2.7202 2.7202 2.9654 2.9654 3.0496 3.0496 3.0737 3.0737 3.9563 3.9563 4.0804 4.0804 4.1873 4.1873 4.2289 4.2289 4.2659 4.2659 4.3433 4.3433 4.4037 4.4037 4.5474 4.5474 4.6565 4.6565 4.6930 4.6930 4.7630 4.7630 4.8684 4.8684 5.9643 5.9643 6.0049 6.0049 6.2194 6.2194 8.2617 8.2617 8.4282 8.4282 9.1156 9.1156 9.2517 9.2517 9.2642 9.2642 10.7214 10.7214 10.7287 10.7287 k = 0.5000 0.5000 0.3103 ( 6268 PWs) bands (ev): -48.6176 -48.6176 -26.2782 -26.2782 -24.2070 -24.2070 -24.2062 -24.2062 -6.4219 -6.4219 -6.3158 -6.3158 -6.2870 -6.2870 -6.2256 -6.2256 1.1988 1.1988 1.2344 1.2344 1.2498 1.2498 1.9920 1.9920 2.3789 2.3789 2.3995 2.3995 2.5607 2.5607 2.5816 2.5816 2.7123 2.7123 2.9774 2.9774 3.0476 3.0476 3.0706 3.0706 3.9623 3.9623 4.0853 4.0853 4.1927 4.1927 4.2258 4.2258 4.2680 4.2680 4.3424 4.3424 4.4091 4.4091 4.5345 4.5345 4.6412 4.6412 4.6842 4.6842 4.7531 4.7531 4.8516 4.8516 6.0048 6.0048 6.0436 6.0436 6.2288 6.2288 8.2705 8.2705 8.4227 8.4227 9.1395 9.1395 9.2497 9.2497 9.2621 9.2621 10.6889 10.6889 10.6962 10.6962 k = 0.5000 0.5000 0.3276 ( 6260 PWs) bands (ev): -48.6176 -48.6176 -26.2782 -26.2782 -24.2070 -24.2070 -24.2063 -24.2063 -6.4131 -6.4131 -6.3154 -6.3154 -6.2867 -6.2867 -6.2315 -6.2315 1.1950 1.1950 1.2278 1.2278 1.2421 1.2421 1.9721 1.9721 2.3865 2.3865 2.4044 2.4044 2.5697 2.5697 2.5911 2.5911 2.7045 2.7045 2.9882 2.9882 3.0456 3.0456 3.0672 3.0672 3.9668 3.9668 4.0924 4.0924 4.1978 4.1978 4.2229 4.2229 4.2704 4.2704 4.3408 4.3408 4.4147 4.4147 4.5229 4.5229 4.6260 4.6260 4.6763 4.6763 4.7433 4.7433 4.8335 4.8335 6.0440 6.0440 6.0808 6.0808 6.2379 6.2379 8.2812 8.2812 8.4175 8.4175 9.1594 9.1594 9.2462 9.2462 9.2583 9.2583 10.6596 10.6596 10.6661 10.6661 k = 0.5000 0.5000 0.3448 ( 6268 PWs) bands (ev): -48.6176 -48.6176 -26.2783 -26.2783 -24.2070 -24.2070 -24.2064 -24.2064 -6.4041 -6.4041 -6.3150 -6.3150 -6.2863 -6.2863 -6.2377 -6.2377 1.1908 1.1908 1.2220 1.2220 1.2348 1.2348 1.9538 1.9538 2.3941 2.3941 2.4095 2.4095 2.5784 2.5784 2.6001 2.6001 2.6970 2.6970 2.9978 2.9978 3.0435 3.0435 3.0637 3.0637 3.9697 3.9697 4.1015 4.1015 4.2026 4.2026 4.2202 4.2202 4.2733 4.2733 4.3382 4.3382 4.4206 4.4206 4.5126 4.5126 4.6112 4.6112 4.6694 4.6694 4.7335 4.7335 4.8143 4.8143 6.0814 6.0814 6.1161 6.1161 6.2467 6.2467 8.2935 8.2935 8.4124 8.4124 9.1751 9.1751 9.2414 9.2414 9.2532 9.2532 10.6336 10.6336 10.6380 10.6380 k = 0.5000 0.5000 0.3621 ( 6260 PWs) bands (ev): -48.6175 -48.6175 -26.2783 -26.2783 -24.2070 -24.2070 -24.2065 -24.2065 -6.3951 -6.3951 -6.3148 -6.3148 -6.2860 -6.2860 -6.2441 -6.2441 1.1863 1.1863 1.2170 1.2170 1.2281 1.2281 1.9373 1.9373 2.4016 2.4016 2.4148 2.4148 2.5868 2.5868 2.6083 2.6083 2.6902 2.6902 3.0062 3.0062 3.0415 3.0415 3.0600 3.0600 3.9714 3.9714 4.1122 4.1122 4.2070 4.2070 4.2178 4.2178 4.2763 4.2763 4.3348 4.3348 4.4265 4.4265 4.5040 4.5040 4.5974 4.5974 4.6633 4.6633 4.7239 4.7239 4.7943 4.7943 6.1165 6.1165 6.1489 6.1489 6.2553 6.2553 8.3070 8.3070 8.4077 8.4077 9.1865 9.1865 9.2356 9.2356 9.2468 9.2468 10.6103 10.6103 10.6134 10.6134 k = 0.5000 0.5000 0.3793 ( 6260 PWs) bands (ev): -48.6175 -48.6175 -26.2783 -26.2783 -24.2070 -24.2070 -24.2066 -24.2066 -6.3860 -6.3860 -6.3147 -6.3147 -6.2857 -6.2857 -6.2506 -6.2506 1.1819 1.1819 1.2127 1.2127 1.2219 1.2219 1.9225 1.9225 2.4089 2.4089 2.4201 2.4201 2.5946 2.5946 2.6153 2.6153 2.6844 2.6844 3.0134 3.0134 3.0396 3.0396 3.0562 3.0562 3.9722 3.9722 4.1238 4.1238 4.2109 4.2109 4.2157 4.2157 4.2796 4.2796 4.3303 4.3303 4.4325 4.4325 4.4971 4.4971 4.5849 4.5849 4.6582 4.6582 4.7146 4.7146 4.7740 4.7740 6.1489 6.1489 6.1786 6.1786 6.2637 6.2637 8.3212 8.3212 8.4034 8.4034 9.1940 9.1940 9.2291 9.2291 9.2397 9.2397 10.5897 10.5897 10.5937 10.5937 k = 0.5000 0.5000 0.3966 ( 6260 PWs) bands (ev): -48.6175 -48.6175 -26.2784 -26.2784 -24.2070 -24.2070 -24.2067 -24.2067 -6.3770 -6.3770 -6.3147 -6.3147 -6.2854 -6.2854 -6.2572 -6.2572 1.1776 1.1776 1.2091 1.2091 1.2165 1.2165 1.9096 1.9096 2.4158 2.4158 2.4251 2.4251 2.6018 2.6018 2.6207 2.6207 2.6800 2.6800 3.0195 3.0195 3.0378 3.0378 3.0525 3.0525 3.9725 3.9725 4.1360 4.1360 4.2133 4.2133 4.2147 4.2147 4.2830 4.2830 4.3250 4.3250 4.4382 4.4382 4.4919 4.4919 4.5740 4.5740 4.6541 4.6541 4.7056 4.7056 4.7538 4.7538 6.1781 6.1781 6.2045 6.2045 6.2720 6.2720 8.3354 8.3354 8.3995 8.3995 9.1978 9.1978 9.2223 9.2223 9.2322 9.2322 10.5730 10.5730 10.5778 10.5778 k = 0.5000 0.5000 0.4138 ( 6256 PWs) bands (ev): -48.6175 -48.6175 -26.2784 -26.2784 -24.2070 -24.2070 -24.2068 -24.2068 -6.3681 -6.3681 -6.3150 -6.3150 -6.2852 -6.2852 -6.2638 -6.2638 1.1737 1.1737 1.2061 1.2061 1.2117 1.2117 1.8987 1.8987 2.4221 2.4221 2.4296 2.4296 2.6082 2.6082 2.6241 2.6241 2.6773 2.6773 3.0246 3.0246 3.0364 3.0364 3.0489 3.0489 3.9724 3.9724 4.1483 4.1483 4.2117 4.2117 4.2173 4.2173 4.2865 4.2865 4.3192 4.3192 4.4438 4.4438 4.4879 4.4879 4.5654 4.5654 4.6509 4.6509 4.6972 4.6972 4.7343 4.7343 6.2036 6.2036 6.2258 6.2258 6.2807 6.2807 8.3491 8.3491 8.3962 8.3962 9.1989 9.1989 9.2157 9.2157 9.2247 9.2247 10.5604 10.5604 10.5651 10.5651 k = 0.5000 0.5000 0.4310 ( 6228 PWs) bands (ev): -48.6174 -48.6174 -26.2784 -26.2784 -24.2070 -24.2070 -24.2068 -24.2068 -6.3594 -6.3594 -6.3157 -6.3157 -6.2850 -6.2850 -6.2701 -6.2701 1.1703 1.1703 1.2037 1.2037 1.2078 1.2078 1.8896 1.8896 2.4277 2.4277 2.4335 2.4335 2.6136 2.6136 2.6256 2.6256 2.6763 2.6763 3.0287 3.0287 3.0354 3.0354 3.0456 3.0456 3.9722 3.9722 4.1602 4.1602 4.2098 4.2098 4.2197 4.2197 4.2898 4.2898 4.3131 4.3131 4.4491 4.4491 4.4847 4.4847 4.5594 4.5594 4.6485 4.6485 4.6895 4.6895 4.7164 4.7164 6.2252 6.2252 6.2420 6.2420 6.2897 6.2897 8.3616 8.3616 8.3934 8.3934 9.1979 9.1979 9.2099 9.2099 9.2176 9.2176 10.5513 10.5513 10.5551 10.5551 k = 0.5000 0.5000 0.4483 ( 6228 PWs) bands (ev): -48.6174 -48.6174 -26.2784 -26.2784 -24.2070 -24.2070 -24.2069 -24.2069 -6.3512 -6.3512 -6.3169 -6.3169 -6.2849 -6.2849 -6.2758 -6.2758 1.1676 1.1676 1.2018 1.2018 1.2046 1.2046 1.8826 1.8826 2.4325 2.4325 2.4367 2.4367 2.6180 2.6180 2.6256 2.6256 2.6765 2.6765 3.0316 3.0316 3.0349 3.0349 3.0425 3.0425 3.9719 3.9719 4.1712 4.1712 4.2076 4.2076 4.2214 4.2214 4.2925 4.2925 4.3073 4.3073 4.4541 4.4541 4.4813 4.4813 4.5562 4.5562 4.6467 4.6467 4.6828 4.6828 4.7008 4.7008 6.2423 6.2423 6.2530 6.2530 6.2986 6.2986 8.3722 8.3722 8.3911 8.3911 9.1959 9.1959 9.2050 9.2050 9.2113 9.2113 10.5450 10.5450 10.5477 10.5477 k = 0.5000 0.5000 0.4655 ( 6244 PWs) bands (ev): -48.6175 -48.6175 -26.2785 -26.2785 -24.2070 -24.2070 -24.2069 -24.2069 -6.3436 -6.3436 -6.3188 -6.3188 -6.2848 -6.2848 -6.2805 -6.2805 1.1656 1.1656 1.2006 1.2006 1.2023 1.2023 1.8775 1.8775 2.4362 2.4362 2.4389 2.4389 2.6212 2.6212 2.6249 2.6249 2.6773 2.6773 3.0331 3.0331 3.0353 3.0353 3.0399 3.0399 3.9716 3.9716 4.1810 4.1810 4.2048 4.2048 4.2226 4.2226 4.2947 4.2947 4.3023 4.3023 4.4589 4.4589 4.4775 4.4775 4.5553 4.5553 4.6452 4.6452 4.6776 4.6776 4.6885 4.6885 6.2548 6.2548 6.2599 6.2599 6.3062 6.3062 8.3802 8.3802 8.3895 8.3895 9.1938 9.1938 9.2017 9.2017 9.2061 9.2061 10.5410 10.5410 10.5425 10.5425 k = 0.5000 0.5000 0.4828 ( 6272 PWs) bands (ev): -48.6176 -48.6176 -26.2785 -26.2785 -24.2070 -24.2070 -24.2070 -24.2070 -6.3373 -6.3373 -6.3214 -6.3214 -6.2847 -6.2847 -6.2836 -6.2836 1.1644 1.1644 1.2000 1.2000 1.2008 1.2008 1.8744 1.8744 2.4387 2.4387 2.4400 2.4400 2.6231 2.6231 2.6242 2.6242 2.6780 2.6780 3.0338 3.0338 3.0362 3.0362 3.0379 3.0379 3.9713 3.9713 4.1894 4.1894 4.2011 4.2011 4.2233 4.2233 4.2962 4.2962 4.2989 4.2989 4.4637 4.4637 4.4732 4.4732 4.5556 4.5556 4.6438 4.6438 4.6749 4.6749 4.6802 4.6802 6.2623 6.2623 6.2636 6.2636 6.3113 6.3113 8.3854 8.3854 8.3884 8.3884 9.1922 9.1922 9.2000 9.2000 9.2023 9.2023 10.5388 10.5388 10.5394 10.5394 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -48.6176 -48.6176 -26.2785 -26.2785 -24.2070 -24.2070 -24.2070 -24.2070 -6.3344 -6.3344 -6.3230 -6.3230 -6.2847 -6.2847 -6.2847 -6.2847 1.1640 1.1640 1.2000 1.2000 1.2000 1.2000 1.8734 1.8734 2.4399 2.4399 2.4399 2.4399 2.6238 2.6238 2.6238 2.6238 2.6783 2.6783 3.0341 3.0341 3.0368 3.0368 3.0368 3.0368 3.9713 3.9713 4.1960 4.1960 4.1960 4.1960 4.2235 4.2235 4.2972 4.2972 4.2972 4.2972 4.4685 4.4685 4.4685 4.4685 4.5559 4.5559 4.6431 4.6431 4.6757 4.6757 4.6757 4.6757 6.2648 6.2648 6.2648 6.2648 6.3130 6.3130 8.3876 8.3876 8.3876 8.3876 9.1916 9.1916 9.2003 9.2003 9.2003 9.2003 10.5383 10.5383 10.5383 10.5383 Writing output data file NbCu3S4.save init_run : 3.82s CPU 13.83s WALL ( 1 calls) electrons : 1305.69s CPU 1318.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.39s CPU 1.39s WALL ( 1 calls) Called by electrons: c_bands : 1305.65s CPU 1318.10s WALL ( 1 calls) v_of_rho : 0.18s CPU 0.94s WALL ( 1 calls) v_h : 0.00s CPU 0.04s WALL ( 1 calls) v_xc : 0.17s CPU 0.57s WALL ( 1 calls) newd : 0.83s CPU 1.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.21s WALL ( 225 calls) cegterg : 1242.57s CPU 1252.64s WALL ( 602 calls) Called by sum_band: Called by *egterg: h_psi : 402.64s CPU 410.72s WALL ( 10589 calls) s_psi : 83.65s CPU 83.99s WALL ( 10589 calls) g_psi : 1.04s CPU 1.15s WALL ( 9762 calls) cdiaghg : 585.68s CPU 584.35s WALL ( 9987 calls) cegterg:over : 100.33s CPU 97.77s WALL ( 9762 calls) cegterg:upda : 33.47s CPU 35.76s WALL ( 9762 calls) cegterg:last : 23.97s CPU 24.37s WALL ( 1329 calls) Called by h_psi: h_psi:vloc : 253.53s CPU 259.03s WALL ( 10589 calls) h_psi:vnl : 148.58s CPU 150.59s WALL ( 10589 calls) add_vuspsi : 62.95s CPU 66.34s WALL ( 10589 calls) General routines calbec : 85.56s CPU 84.11s WALL ( 10589 calls) fft : 0.41s CPU 1.20s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 240.81s CPU 243.88s WALL ( 1352776 calls) interpolate : 0.05s CPU 0.05s WALL ( 4 calls) davcio : 0.02s CPU 1.77s WALL ( 450 calls) Parallel routines fft_scatter : 162.78s CPU 163.72s WALL ( 1352799 calls) PWSCF : 22m55.67s CPU 25m13.29s WALL This run was terminated on: 10: 2:44 1Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=