Program PWSCF v.5.1.1 starts on 28Oct2015 at 19: 4:50 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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 1720 1040 162 Max 49 35 11 1724 1067 165 Sum 2305 1649 481 82663 50541 7809 bravais-lattice index = 14 lattice parameter (alat) = 10.3935 a.u. unit-cell volume = 1122.7539 (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)= 10.393493 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: 82663 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 50541 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.36 Mb ( 278, 84) NL pseudopotentials 0.58 Mb ( 139, 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 ( 425) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.43 Mb ( 278, 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 48.3 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 58.9 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 69.1 secs Computing kpt #: 4 total cpu time spent up to now is 78.9 secs Computing kpt #: 5 total cpu time spent up to now is 88.7 secs Computing kpt #: 6 total cpu time spent up to now is 96.9 secs Computing kpt #: 7 total cpu time spent up to now is 103.9 secs Computing kpt #: 8 total cpu time spent up to now is 110.2 secs Computing kpt #: 9 total cpu time spent up to now is 116.4 secs Computing kpt #: 10 total cpu time spent up to now is 122.4 secs Computing kpt #: 11 total cpu time spent up to now is 127.6 secs Computing kpt #: 12 total cpu time spent up to now is 132.7 secs Computing kpt #: 13 total cpu time spent up to now is 137.8 secs Computing kpt #: 14 total cpu time spent up to now is 142.9 secs Computing kpt #: 15 total cpu time spent up to now is 148.0 secs Computing kpt #: 16 total cpu time spent up to now is 153.0 secs Computing kpt #: 17 total cpu time spent up to now is 158.0 secs Computing kpt #: 18 total cpu time spent up to now is 163.1 secs Computing kpt #: 19 total cpu time spent up to now is 168.1 secs Computing kpt #: 20 total cpu time spent up to now is 173.2 secs Computing kpt #: 21 total cpu time spent up to now is 178.4 secs Computing kpt #: 22 total cpu time spent up to now is 183.5 secs Computing kpt #: 23 total cpu time spent up to now is 188.8 secs Computing kpt #: 24 total cpu time spent up to now is 194.2 secs Computing kpt #: 25 total cpu time spent up to now is 199.3 secs Computing kpt #: 26 total cpu time spent up to now is 204.5 secs Computing kpt #: 27 total cpu time spent up to now is 210.3 secs Computing kpt #: 28 total cpu time spent up to now is 215.3 secs Computing kpt #: 29 total cpu time spent up to now is 220.3 secs Computing kpt #: 30 total cpu time spent up to now is 225.4 secs Computing kpt #: 31 total cpu time spent up to now is 230.4 secs Computing kpt #: 32 total cpu time spent up to now is 235.6 secs Computing kpt #: 33 total cpu time spent up to now is 240.8 secs Computing kpt #: 34 total cpu time spent up to now is 246.2 secs Computing kpt #: 35 total cpu time spent up to now is 251.6 secs Computing kpt #: 36 total cpu time spent up to now is 256.9 secs Computing kpt #: 37 total cpu time spent up to now is 262.1 secs Computing kpt #: 38 total cpu time spent up to now is 267.3 secs Computing kpt #: 39 total cpu time spent up to now is 272.4 secs Computing kpt #: 40 total cpu time spent up to now is 277.4 secs Computing kpt #: 41 total cpu time spent up to now is 282.4 secs Computing kpt #: 42 total cpu time spent up to now is 287.5 secs Computing kpt #: 43 total cpu time spent up to now is 292.6 secs Computing kpt #: 44 total cpu time spent up to now is 297.4 secs Computing kpt #: 45 total cpu time spent up to now is 302.5 secs Computing kpt #: 46 total cpu time spent up to now is 307.4 secs Computing kpt #: 47 total cpu time spent up to now is 312.4 secs Computing kpt #: 48 total cpu time spent up to now is 317.2 secs Computing kpt #: 49 total cpu time spent up to now is 322.0 secs Computing kpt #: 50 total cpu time spent up to now is 326.6 secs Computing kpt #: 51 total cpu time spent up to now is 331.3 secs Computing kpt #: 52 total cpu time spent up to now is 335.8 secs Computing kpt #: 53 total cpu time spent up to now is 340.4 secs Computing kpt #: 54 total cpu time spent up to now is 345.0 secs Computing kpt #: 55 total cpu time spent up to now is 349.5 secs Computing kpt #: 56 total cpu time spent up to now is 354.3 secs Computing kpt #: 57 total cpu time spent up to now is 359.1 secs Computing kpt #: 58 total cpu time spent up to now is 364.0 secs Computing kpt #: 59 total cpu time spent up to now is 369.3 secs Computing kpt #: 60 total cpu time spent up to now is 374.4 secs Computing kpt #: 61 total cpu time spent up to now is 379.4 secs Computing kpt #: 62 total cpu time spent up to now is 384.3 secs Computing kpt #: 63 total cpu time spent up to now is 389.2 secs Computing kpt #: 64 total cpu time spent up to now is 394.0 secs Computing kpt #: 65 total cpu time spent up to now is 398.9 secs Computing kpt #: 66 total cpu time spent up to now is 403.5 secs Computing kpt #: 67 total cpu time spent up to now is 408.1 secs Computing kpt #: 68 total cpu time spent up to now is 413.0 secs Computing kpt #: 69 total cpu time spent up to now is 417.6 secs Computing kpt #: 70 total cpu time spent up to now is 422.4 secs Computing kpt #: 71 total cpu time spent up to now is 427.1 secs Computing kpt #: 72 total cpu time spent up to now is 432.0 secs Computing kpt #: 73 total cpu time spent up to now is 436.8 secs Computing kpt #: 74 total cpu time spent up to now is 441.8 secs Computing kpt #: 75 total cpu time spent up to now is 446.8 secs Computing kpt #: 76 total cpu time spent up to now is 452.1 secs Computing kpt #: 77 total cpu time spent up to now is 457.3 secs Computing kpt #: 78 total cpu time spent up to now is 462.7 secs Computing kpt #: 79 total cpu time spent up to now is 468.2 secs Computing kpt #: 80 total cpu time spent up to now is 474.1 secs Computing kpt #: 81 total cpu time spent up to now is 479.9 secs Computing kpt #: 82 total cpu time spent up to now is 485.5 secs Computing kpt #: 83 total cpu time spent up to now is 491.0 secs Computing kpt #: 84 total cpu time spent up to now is 496.5 secs Computing kpt #: 85 total cpu time spent up to now is 502.2 secs Computing kpt #: 86 total cpu time spent up to now is 508.5 secs Computing kpt #: 87 total cpu time spent up to now is 514.4 secs Computing kpt #: 88 total cpu time spent up to now is 519.7 secs Computing kpt #: 89 total cpu time spent up to now is 525.7 secs Computing kpt #: 90 total cpu time spent up to now is 533.2 secs Computing kpt #: 91 total cpu time spent up to now is 539.1 secs Computing kpt #: 92 total cpu time spent up to now is 545.3 secs Computing kpt #: 93 total cpu time spent up to now is 553.4 secs Computing kpt #: 94 total cpu time spent up to now is 562.0 secs Computing kpt #: 95 total cpu time spent up to now is 570.8 secs Computing kpt #: 96 total cpu time spent up to now is 580.1 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 590.9 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 601.7 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 612.4 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 623.2 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 634.0 secs Computing kpt #: 102 total cpu time spent up to now is 639.7 secs Computing kpt #: 103 total cpu time spent up to now is 645.3 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 655.9 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 666.6 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 677.1 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 687.6 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 698.5 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 709.1 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 719.7 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 730.2 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 740.7 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 751.3 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 762.1 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 772.6 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 783.3 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 793.9 secs Computing kpt #: 118 total cpu time spent up to now is 802.6 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 815.2 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 826.0 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 836.6 secs Computing kpt #: 122 total cpu time spent up to now is 842.8 secs Computing kpt #: 123 total cpu time spent up to now is 848.9 secs Computing kpt #: 124 total cpu time spent up to now is 854.4 secs Computing kpt #: 125 total cpu time spent up to now is 860.4 secs Computing kpt #: 126 total cpu time spent up to now is 865.8 secs Computing kpt #: 127 total cpu time spent up to now is 871.2 secs Computing kpt #: 128 total cpu time spent up to now is 876.5 secs Computing kpt #: 129 total cpu time spent up to now is 881.9 secs Computing kpt #: 130 total cpu time spent up to now is 887.0 secs Computing kpt #: 131 total cpu time spent up to now is 892.3 secs Computing kpt #: 132 total cpu time spent up to now is 897.5 secs Computing kpt #: 133 total cpu time spent up to now is 902.8 secs Computing kpt #: 134 total cpu time spent up to now is 907.9 secs Computing kpt #: 135 total cpu time spent up to now is 913.1 secs Computing kpt #: 136 total cpu time spent up to now is 918.1 secs Computing kpt #: 137 total cpu time spent up to now is 923.2 secs Computing kpt #: 138 total cpu time spent up to now is 928.2 secs Computing kpt #: 139 total cpu time spent up to now is 933.2 secs Computing kpt #: 140 total cpu time spent up to now is 938.3 secs Computing kpt #: 141 total cpu time spent up to now is 943.3 secs Computing kpt #: 142 total cpu time spent up to now is 948.3 secs Computing kpt #: 143 total cpu time spent up to now is 953.3 secs Computing kpt #: 144 total cpu time spent up to now is 958.2 secs Computing kpt #: 145 total cpu time spent up to now is 963.2 secs Computing kpt #: 146 total cpu time spent up to now is 968.2 secs Computing kpt #: 147 total cpu time spent up to now is 973.3 secs Computing kpt #: 148 total cpu time spent up to now is 978.2 secs Computing kpt #: 149 total cpu time spent up to now is 983.1 secs Computing kpt #: 150 total cpu time spent up to now is 988.0 secs Computing kpt #: 151 total cpu time spent up to now is 993.0 secs Computing kpt #: 152 total cpu time spent up to now is 997.9 secs Computing kpt #: 153 total cpu time spent up to now is 1002.6 secs Computing kpt #: 154 total cpu time spent up to now is 1007.4 secs Computing kpt #: 155 total cpu time spent up to now is 1012.3 secs Computing kpt #: 156 total cpu time spent up to now is 1017.0 secs Computing kpt #: 157 total cpu time spent up to now is 1021.9 secs Computing kpt #: 158 total cpu time spent up to now is 1026.8 secs Computing kpt #: 159 total cpu time spent up to now is 1031.8 secs Computing kpt #: 160 total cpu time spent up to now is 1036.8 secs Computing kpt #: 161 total cpu time spent up to now is 1041.5 secs Computing kpt #: 162 total cpu time spent up to now is 1046.3 secs Computing kpt #: 163 total cpu time spent up to now is 1050.9 secs Computing kpt #: 164 total cpu time spent up to now is 1055.6 secs Computing kpt #: 165 total cpu time spent up to now is 1060.2 secs Computing kpt #: 166 total cpu time spent up to now is 1064.9 secs Computing kpt #: 167 total cpu time spent up to now is 1069.6 secs Computing kpt #: 168 total cpu time spent up to now is 1074.3 secs Computing kpt #: 169 total cpu time spent up to now is 1079.0 secs Computing kpt #: 170 total cpu time spent up to now is 1083.6 secs Computing kpt #: 171 total cpu time spent up to now is 1088.2 secs Computing kpt #: 172 total cpu time spent up to now is 1092.8 secs Computing kpt #: 173 total cpu time spent up to now is 1097.4 secs Computing kpt #: 174 total cpu time spent up to now is 1102.2 secs Computing kpt #: 175 total cpu time spent up to now is 1107.4 secs Computing kpt #: 176 total cpu time spent up to now is 1112.3 secs Computing kpt #: 177 total cpu time spent up to now is 1116.8 secs Computing kpt #: 178 total cpu time spent up to now is 1121.5 secs Computing kpt #: 179 total cpu time spent up to now is 1126.2 secs Computing kpt #: 180 total cpu time spent up to now is 1131.0 secs Computing kpt #: 181 total cpu time spent up to now is 1135.9 secs Computing kpt #: 182 total cpu time spent up to now is 1140.7 secs Computing kpt #: 183 total cpu time spent up to now is 1145.6 secs Computing kpt #: 184 total cpu time spent up to now is 1150.5 secs Computing kpt #: 185 total cpu time spent up to now is 1155.6 secs Computing kpt #: 186 total cpu time spent up to now is 1160.7 secs Computing kpt #: 187 total cpu time spent up to now is 1165.9 secs Computing kpt #: 188 total cpu time spent up to now is 1171.0 secs Computing kpt #: 189 total cpu time spent up to now is 1176.1 secs Computing kpt #: 190 total cpu time spent up to now is 1181.4 secs Computing kpt #: 191 total cpu time spent up to now is 1186.7 secs Computing kpt #: 192 total cpu time spent up to now is 1192.1 secs Computing kpt #: 193 total cpu time spent up to now is 1197.3 secs Computing kpt #: 194 total cpu time spent up to now is 1202.6 secs Computing kpt #: 195 total cpu time spent up to now is 1207.7 secs Computing kpt #: 196 total cpu time spent up to now is 1212.7 secs Computing kpt #: 197 total cpu time spent up to now is 1217.7 secs Computing kpt #: 198 total cpu time spent up to now is 1222.7 secs Computing kpt #: 199 total cpu time spent up to now is 1227.6 secs Computing kpt #: 200 total cpu time spent up to now is 1232.7 secs Computing kpt #: 201 total cpu time spent up to now is 1237.7 secs Computing kpt #: 202 total cpu time spent up to now is 1242.5 secs Computing kpt #: 203 total cpu time spent up to now is 1247.6 secs Computing kpt #: 204 total cpu time spent up to now is 1252.4 secs Computing kpt #: 205 total cpu time spent up to now is 1257.2 secs Computing kpt #: 206 total cpu time spent up to now is 1261.9 secs Computing kpt #: 207 total cpu time spent up to now is 1266.7 secs Computing kpt #: 208 total cpu time spent up to now is 1271.5 secs Computing kpt #: 209 total cpu time spent up to now is 1276.5 secs Computing kpt #: 210 total cpu time spent up to now is 1281.1 secs Computing kpt #: 211 total cpu time spent up to now is 1285.9 secs Computing kpt #: 212 total cpu time spent up to now is 1291.3 secs Computing kpt #: 213 total cpu time spent up to now is 1296.2 secs Computing kpt #: 214 total cpu time spent up to now is 1301.4 secs Computing kpt #: 215 total cpu time spent up to now is 1306.2 secs Computing kpt #: 216 total cpu time spent up to now is 1311.1 secs Computing kpt #: 217 total cpu time spent up to now is 1316.1 secs Computing kpt #: 218 total cpu time spent up to now is 1321.2 secs Computing kpt #: 219 total cpu time spent up to now is 1326.1 secs Computing kpt #: 220 total cpu time spent up to now is 1331.1 secs Computing kpt #: 221 total cpu time spent up to now is 1335.8 secs Computing kpt #: 222 total cpu time spent up to now is 1340.7 secs Computing kpt #: 223 total cpu time spent up to now is 1345.7 secs Computing kpt #: 224 total cpu time spent up to now is 1350.5 secs Computing kpt #: 225 total cpu time spent up to now is 1355.0 secs ethr = 1.43E-11, avg # of iterations = 42.2 total cpu time spent up to now is 1355.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -48.7717 -48.7717 -26.3897 -26.3897 -24.3063 -24.3063 -24.3063 -24.3063 -7.0258 -7.0258 -6.0221 -6.0221 -5.9916 -5.9916 -5.9916 -5.9916 0.7035 0.7035 0.7035 0.7035 1.6009 1.6009 2.3126 2.3126 2.3126 2.3126 2.3473 2.3473 2.9725 2.9725 3.0106 3.0106 3.0106 3.0106 3.4706 3.4706 3.4913 3.4913 3.4913 3.4913 3.5519 3.5519 3.5519 3.5519 4.2954 4.2954 4.3714 4.3714 4.3714 4.3714 4.5009 4.5009 4.5009 4.5009 4.5292 4.5292 4.7935 4.7935 4.9517 4.9517 4.9517 4.9517 4.9704 4.9704 6.0023 6.0023 6.0023 6.0023 6.0892 6.0892 8.1803 8.1803 8.2022 8.2022 8.2022 8.2022 8.2685 8.2685 8.2685 8.2685 8.4583 8.4583 12.0681 12.0681 k = 0.0000 0.0172-0.0000 ( 6347 PWs) bands (ev): -48.7717 -48.7717 -26.3897 -26.3897 -24.3063 -24.3063 -24.3063 -24.3063 -7.0251 -7.0251 -6.0224 -6.0224 -5.9921 -5.9921 -5.9916 -5.9916 0.7042 0.7042 0.7048 0.7048 1.6016 1.6016 2.3116 2.3116 2.3133 2.3133 2.3471 2.3471 2.9718 2.9718 3.0090 3.0090 3.0107 3.0107 3.4685 3.4685 3.4870 3.4870 3.4918 3.4918 3.5509 3.5509 3.5594 3.5594 4.2945 4.2945 4.3646 4.3646 4.3777 4.3777 4.4971 4.4971 4.5047 4.5047 4.5291 4.5291 4.7938 4.7938 4.9483 4.9483 4.9549 4.9549 4.9703 4.9703 5.9999 5.9999 6.0021 6.0021 6.0878 6.0878 8.1781 8.1781 8.1974 8.1974 8.2066 8.2066 8.2647 8.2647 8.2737 8.2737 8.4680 8.4680 12.0658 12.0660 k = 0.0000 0.0345-0.0000 ( 6323 PWs) bands (ev): -48.7716 -48.7716 -26.3897 -26.3897 -24.3063 -24.3063 -24.3063 -24.3063 -7.0232 -7.0232 -6.0232 -6.0232 -5.9936 -5.9936 -5.9916 -5.9916 0.7062 0.7062 0.7087 0.7087 1.6039 1.6039 2.3093 2.3093 2.3145 2.3145 2.3468 2.3468 2.9695 2.9695 3.0054 3.0054 3.0101 3.0101 3.4595 3.4595 3.4816 3.4816 3.4921 3.4921 3.5524 3.5524 3.5737 3.5737 4.2917 4.2917 4.3576 4.3576 4.3827 4.3827 4.4934 4.4934 4.5082 4.5082 4.5291 4.5291 4.7946 4.7946 4.9444 4.9444 4.9578 4.9578 4.9702 4.9702 5.9935 5.9935 6.0003 6.0003 6.0838 6.0838 8.1671 8.1671 8.1971 8.1971 8.2115 8.2115 8.2642 8.2642 8.2793 8.2793 8.4948 8.4948 12.0589 12.0589 k = 0.0000 0.0517-0.0000 ( 6331 PWs) bands (ev): -48.7716 -48.7716 -26.3897 -26.3897 -24.3064 -24.3064 -24.3063 -24.3063 -7.0201 -7.0201 -6.0247 -6.0247 -5.9958 -5.9958 -5.9916 -5.9916 0.7096 0.7096 0.7150 0.7150 1.6077 1.6077 2.3048 2.3048 2.3162 2.3162 2.3465 2.3465 2.9651 2.9651 3.0002 3.0002 3.0089 3.0089 3.4432 3.4432 3.4797 3.4797 3.4926 3.4926 3.5552 3.5552 3.5914 3.5914 4.2869 4.2869 4.3510 4.3510 4.3858 4.3858 4.4900 4.4900 4.5111 4.5111 4.5295 4.5295 4.7958 4.7958 4.9402 4.9402 4.9602 4.9602 4.9703 4.9703 5.9828 5.9828 5.9973 5.9973 6.0775 6.0775 8.1477 8.1477 8.2029 8.2029 8.2179 8.2179 8.2673 8.2673 8.2853 8.2853 8.5349 8.5349 12.0477 12.0477 k = 0.0000 0.0690-0.0000 ( 6319 PWs) bands (ev): -48.7715 -48.7715 -26.3897 -26.3897 -24.3064 -24.3064 -24.3063 -24.3063 -7.0157 -7.0157 -6.0273 -6.0273 -5.9985 -5.9985 -5.9916 -5.9916 0.7143 0.7143 0.7238 0.7238 1.6130 1.6130 2.2978 2.2978 2.3185 2.3185 2.3470 2.3470 2.9578 2.9578 2.9942 2.9942 3.0073 3.0073 3.4233 3.4233 3.4795 3.4795 3.4932 3.4932 3.5590 3.5590 3.6108 3.6108 4.2800 4.2800 4.3452 4.3452 4.3868 4.3868 4.4871 4.4871 4.5132 4.5132 4.5306 4.5306 4.7974 4.7974 4.9355 4.9355 4.9614 4.9614 4.9715 4.9715 5.9677 5.9677 5.9931 5.9931 6.0694 6.0694 8.1247 8.1247 8.2123 8.2123 8.2260 8.2260 8.2735 8.2735 8.2924 8.2924 8.5847 8.5847 12.0325 12.0325 k = 0.0000 0.0862-0.0000 ( 6323 PWs) bands (ev): -48.7716 -48.7716 -26.3898 -26.3898 -24.3065 -24.3065 -24.3063 -24.3063 -7.0100 -7.0100 -6.0312 -6.0312 -6.0012 -6.0012 -5.9916 -5.9916 0.7203 0.7203 0.7351 0.7351 1.6198 1.6198 2.2881 2.2881 2.3213 2.3213 2.3483 2.3483 2.9468 2.9468 2.9885 2.9885 3.0052 3.0052 3.4015 3.4015 3.4799 3.4799 3.4941 3.4941 3.5636 3.5636 3.6310 3.6310 4.2713 4.2713 4.3401 4.3401 4.3853 4.3853 4.4850 4.4850 4.5140 4.5140 4.5328 4.5328 4.7991 4.7991 4.9304 4.9304 4.9612 4.9612 4.9740 4.9740 5.9482 5.9482 5.9879 5.9879 6.0602 6.0602 8.1005 8.1005 8.2247 8.2247 8.2354 8.2354 8.2822 8.2822 8.3013 8.3013 8.6421 8.6421 12.0139 12.0139 k = 0.0000 0.1034-0.0000 ( 6327 PWs) bands (ev): -48.7716 -48.7716 -26.3898 -26.3898 -24.3066 -24.3066 -24.3063 -24.3063 -7.0032 -7.0032 -6.0370 -6.0370 -6.0036 -6.0036 -5.9917 -5.9917 0.7275 0.7275 0.7489 0.7489 1.6282 1.6282 2.2758 2.2758 2.3248 2.3248 2.3505 2.3505 2.9320 2.9320 2.9834 2.9834 3.0027 3.0027 3.3782 3.3782 3.4806 3.4806 3.4953 3.4953 3.5689 3.5689 3.6519 3.6519 4.2609 4.2609 4.3359 4.3359 4.3813 4.3813 4.4834 4.4834 4.5137 4.5137 4.5361 4.5361 4.8007 4.8007 4.9248 4.9248 4.9601 4.9601 4.9776 4.9776 5.9246 5.9246 5.9819 5.9819 6.0500 6.0500 8.0763 8.0763 8.2394 8.2394 8.2456 8.2456 8.2931 8.2931 8.3122 8.3122 8.7058 8.7058 11.9924 11.9924 k = 0.0000 0.1207-0.0000 ( 6315 PWs) bands (ev): -48.7715 -48.7715 -26.3898 -26.3898 -24.3066 -24.3066 -24.3063 -24.3063 -6.9952 -6.9952 -6.0446 -6.0446 -6.0054 -6.0054 -5.9917 -5.9917 0.7360 0.7360 0.7649 0.7649 1.6381 1.6381 2.2609 2.2609 2.3289 2.3289 2.3536 2.3536 2.9137 2.9137 2.9789 2.9789 2.9999 2.9999 3.3536 3.3536 3.4815 3.4815 3.4966 3.4966 3.5747 3.5747 3.6734 3.6734 4.2494 4.2494 4.3322 4.3322 4.3752 4.3752 4.4823 4.4823 4.5125 4.5125 4.5401 4.5401 4.8024 4.8024 4.9189 4.9189 4.9585 4.9585 4.9818 4.9818 5.8974 5.8974 5.9750 5.9750 6.0393 6.0393 8.0526 8.0526 8.2555 8.2555 8.2568 8.2568 8.3061 8.3061 8.3253 8.3253 8.7749 8.7749 11.9686 11.9686 k = 0.0000 0.1379-0.0000 ( 6331 PWs) bands (ev): -48.7716 -48.7716 -26.3899 -26.3899 -24.3067 -24.3067 -24.3063 -24.3063 -6.9859 -6.9859 -6.0542 -6.0542 -6.0068 -6.0068 -5.9917 -5.9917 0.7456 0.7456 0.7833 0.7833 1.6496 1.6496 2.2437 2.2437 2.3335 2.3335 2.3574 2.3574 2.8925 2.8925 2.9746 2.9746 2.9966 2.9966 3.3274 3.3274 3.4826 3.4826 3.4982 3.4982 3.5809 3.5809 3.6954 3.6954 4.2370 4.2370 4.3288 4.3288 4.3671 4.3671 4.4812 4.4812 4.5107 4.5107 4.5444 4.5444 4.8037 4.8037 4.9128 4.9128 4.9567 4.9567 4.9864 4.9864 5.8670 5.8670 5.9675 5.9675 6.0282 6.0282 8.0296 8.0296 8.2656 8.2656 8.2751 8.2751 8.3212 8.3212 8.3406 8.3406 8.8488 8.8488 11.9432 11.9432 k = 0.0000 0.1552-0.0000 ( 6331 PWs) bands (ev): -48.7716 -48.7716 -26.3899 -26.3899 -24.3068 -24.3068 -24.3063 -24.3063 -6.9756 -6.9756 -6.0654 -6.0654 -6.0077 -6.0077 -5.9917 -5.9917 0.7564 0.7564 0.8039 0.8039 1.6627 1.6627 2.2243 2.2243 2.3385 2.3385 2.3618 2.3618 2.8689 2.8689 2.9704 2.9704 2.9931 2.9931 3.2998 3.2998 3.4839 3.4839 3.5001 3.5001 3.5873 3.5873 3.7179 3.7179 4.2242 4.2242 4.3254 4.3254 4.3578 4.3578 4.4801 4.4801 4.5085 4.5085 4.5487 4.5487 4.8048 4.8048 4.9065 4.9065 4.9550 4.9550 4.9912 4.9912 5.8341 5.8341 5.9595 5.9595 6.0169 6.0169 8.0075 8.0075 8.2747 8.2747 8.2953 8.2953 8.3385 8.3385 8.3578 8.3578 8.9268 8.9268 11.9167 11.9167 k = 0.0000 0.1724-0.0000 ( 6311 PWs) bands (ev): -48.7715 -48.7715 -26.3899 -26.3899 -24.3070 -24.3070 -24.3063 -24.3063 -6.9642 -6.9642 -6.0781 -6.0781 -6.0083 -6.0083 -5.9918 -5.9918 0.7682 0.7682 0.8266 0.8266 1.6774 1.6774 2.2030 2.2030 2.3440 2.3440 2.3667 2.3667 2.8433 2.8433 2.9662 2.9662 2.9894 2.9894 3.2706 3.2706 3.4853 3.4853 3.5021 3.5021 3.5940 3.5940 3.7408 3.7408 4.2112 4.2112 4.3220 4.3220 4.3476 4.3476 4.4785 4.4785 4.5061 4.5061 4.5528 4.5528 4.8056 4.8056 4.9003 4.9003 4.9535 4.9535 4.9963 4.9963 5.7994 5.7994 5.9512 5.9512 6.0053 6.0053 7.9864 7.9864 8.2831 8.2831 8.3166 8.3166 8.3575 8.3575 8.3766 8.3766 9.0084 9.0084 11.8896 11.8896 k = 0.0000 0.1897-0.0000 ( 6311 PWs) bands (ev): -48.7715 -48.7715 -26.3900 -26.3900 -24.3071 -24.3071 -24.3063 -24.3063 -6.9516 -6.9516 -6.0922 -6.0922 -6.0088 -6.0088 -5.9918 -5.9918 0.7809 0.7809 0.8514 0.8514 1.6936 1.6936 2.1797 2.1797 2.3499 2.3499 2.3721 2.3721 2.8161 2.8161 2.9618 2.9618 2.9853 2.9853 3.2398 3.2398 3.4869 3.4869 3.5044 3.5044 3.6006 3.6006 3.7642 3.7642 4.1982 4.1982 4.3182 4.3182 4.3370 4.3370 4.4763 4.4763 4.5034 4.5034 4.5562 4.5562 4.8060 4.8060 4.8941 4.8941 4.9525 4.9525 5.0014 5.0014 5.7632 5.7632 5.9426 5.9426 5.9937 5.9937 7.9661 7.9661 8.2908 8.2908 8.3388 8.3388 8.3778 8.3778 8.3966 8.3966 9.0932 9.0932 11.8625 11.8625 k = 0.0000 0.2069-0.0000 ( 6323 PWs) bands (ev): -48.7715 -48.7715 -26.3900 -26.3900 -24.3072 -24.3072 -24.3063 -24.3063 -6.9381 -6.9381 -6.1076 -6.1076 -6.0091 -6.0091 -5.9918 -5.9918 0.7945 0.7945 0.8781 0.8781 1.7114 1.7114 2.1548 2.1548 2.3562 2.3562 2.3778 2.3778 2.7875 2.7875 2.9574 2.9574 2.9811 2.9811 3.2073 3.2073 3.4885 3.4885 3.5069 3.5069 3.6072 3.6072 3.7879 3.7879 4.1853 4.1853 4.3133 4.3133 4.3268 4.3268 4.4733 4.4733 4.5005 4.5005 4.5589 4.5589 4.8062 4.8062 4.8882 4.8882 4.9520 4.9520 5.0065 5.0065 5.7262 5.7262 5.9339 5.9339 5.9823 5.9823 7.9467 7.9467 8.2980 8.2980 8.3614 8.3614 8.3989 8.3989 8.4175 8.4175 9.1807 9.1807 11.8357 11.8357 k = 0.0000 0.2241-0.0000 ( 6327 PWs) bands (ev): -48.7716 -48.7716 -26.3901 -26.3901 -24.3073 -24.3073 -24.3063 -24.3063 -6.9237 -6.9237 -6.1240 -6.1240 -6.0092 -6.0092 -5.9919 -5.9919 0.8088 0.8088 0.9065 0.9065 1.7307 1.7307 2.1284 2.1284 2.3626 2.3626 2.3838 2.3838 2.7579 2.7579 2.9529 2.9529 2.9767 2.9767 3.1731 3.1731 3.4902 3.4902 3.5095 3.5095 3.6137 3.6137 3.8120 3.8120 4.1729 4.1729 4.3064 4.3064 4.3183 4.3183 4.4696 4.4696 4.4975 4.4975 4.5604 4.5604 4.8062 4.8062 4.8826 4.8826 4.9523 4.9523 5.0116 5.0116 5.6888 5.6888 5.9252 5.9252 5.9710 5.9710 7.9284 7.9284 8.3049 8.3049 8.3842 8.3842 8.4205 8.4205 8.4390 8.4390 9.2702 9.2702 11.8096 11.8096 k = 0.0000 0.2414-0.0000 ( 6319 PWs) bands (ev): -48.7715 -48.7715 -26.3901 -26.3901 -24.3075 -24.3075 -24.3063 -24.3063 -6.9083 -6.9083 -6.1415 -6.1415 -6.0094 -6.0094 -5.9919 -5.9919 0.8237 0.8237 0.9367 0.9367 1.7514 1.7514 2.1008 2.1008 2.3693 2.3693 2.3901 2.3901 2.7277 2.7277 2.9483 2.9483 2.9723 2.9723 3.1373 3.1373 3.4920 3.4920 3.5123 3.5123 3.6202 3.6202 3.8364 3.8364 4.1609 4.1609 4.2971 4.2971 4.3120 4.3120 4.4650 4.4650 4.4945 4.4945 4.5608 4.5608 4.8060 4.8060 4.8773 4.8773 4.9535 4.9535 5.0167 5.0167 5.6514 5.6514 5.9166 5.9166 5.9600 5.9600 7.9109 7.9109 8.3114 8.3114 8.4069 8.4069 8.4422 8.4422 8.4607 8.4607 9.3613 9.3613 11.7844 11.7844 k = 0.0000 0.2586-0.0000 ( 6319 PWs) bands (ev): -48.7715 -48.7715 -26.3902 -26.3902 -24.3076 -24.3076 -24.3063 -24.3063 -6.8921 -6.8921 -6.1598 -6.1598 -6.0094 -6.0094 -5.9919 -5.9919 0.8392 0.8392 0.9684 0.9684 1.7734 1.7734 2.0722 2.0722 2.3761 2.3761 2.3964 2.3964 2.6972 2.6972 2.9437 2.9437 2.9677 2.9677 3.0999 3.0999 3.4939 3.4939 3.5152 3.5152 3.6263 3.6263 3.8611 3.8611 4.1495 4.1495 4.2867 4.2867 4.3068 4.3068 4.4595 4.4595 4.4915 4.4915 4.5597 4.5597 4.8056 4.8056 4.8724 4.8724 4.9559 4.9559 5.0217 5.0217 5.6144 5.6144 5.9081 5.9081 5.9494 5.9494 7.8945 7.8945 8.3176 8.3176 8.4293 8.4293 8.4638 8.4638 8.4824 8.4824 9.4535 9.4535 11.7605 11.7605 k = 0.0000 0.2759-0.0000 ( 6323 PWs) bands (ev): -48.7715 -48.7715 -26.3902 -26.3902 -24.3077 -24.3077 -24.3063 -24.3063 -6.8752 -6.8752 -6.1790 -6.1790 -6.0095 -6.0095 -5.9919 -5.9919 0.8550 0.8550 1.0015 1.0015 1.7961 1.7961 2.0432 2.0432 2.3830 2.3830 2.4029 2.4029 2.6666 2.6666 2.9390 2.9390 2.9632 2.9632 3.0611 3.0611 3.4959 3.4959 3.5182 3.5182 3.6321 3.6321 3.8859 3.8859 4.1387 4.1387 4.2761 4.2761 4.3017 4.3017 4.4533 4.4533 4.4884 4.4884 4.5571 4.5571 4.8052 4.8052 4.8678 4.8678 4.9595 4.9595 5.0265 5.0265 5.5780 5.5780 5.9000 5.9000 5.9393 5.9393 7.8791 7.8791 8.3234 8.3234 8.4510 8.4510 8.4848 8.4848 8.5038 8.5038 9.5461 9.5461 11.7379 11.7379 k = 0.0000 0.2931-0.0000 ( 6311 PWs) bands (ev): -48.7715 -48.7715 -26.3903 -26.3903 -24.3079 -24.3079 -24.3063 -24.3063 -6.8576 -6.8576 -6.1987 -6.1987 -6.0095 -6.0095 -5.9920 -5.9920 0.8709 0.8709 1.0359 1.0359 1.8189 1.8189 2.0146 2.0146 2.3899 2.3899 2.4093 2.4093 2.6363 2.6363 2.9343 2.9343 2.9586 2.9586 3.0211 3.0211 3.4978 3.4978 3.5213 3.5213 3.6377 3.6377 3.9109 3.9109 4.1288 4.1288 4.2658 4.2658 4.2967 4.2967 4.4464 4.4464 4.4854 4.4854 4.5529 4.5529 4.8048 4.8048 4.8636 4.8636 4.9644 4.9644 5.0313 5.0313 5.5424 5.5424 5.8922 5.8922 5.9299 5.9299 7.8647 7.8647 8.3290 8.3290 8.4719 8.4719 8.5051 8.5051 8.5246 8.5246 9.6386 9.6386 11.7168 11.7168 k = 0.0000 0.3103-0.0000 ( 6323 PWs) bands (ev): -48.7715 -48.7715 -26.3903 -26.3903 -24.3080 -24.3080 -24.3063 -24.3063 -6.8395 -6.8395 -6.2189 -6.2189 -6.0095 -6.0095 -5.9920 -5.9920 0.8868 0.8868 1.0713 1.0713 1.8398 1.8398 1.9884 1.9884 2.3966 2.3966 2.4155 2.4155 2.6066 2.6066 2.9293 2.9293 2.9535 2.9535 2.9809 2.9809 3.4998 3.4998 3.5244 3.5244 3.6429 3.6429 3.9358 3.9358 4.1195 4.1195 4.2559 4.2559 4.2914 4.2914 4.4389 4.4389 4.4825 4.4825 4.5473 4.5473 4.8042 4.8042 4.8597 4.8597 4.9705 4.9705 5.0359 5.0359 5.5080 5.5080 5.8848 5.8848 5.9211 5.9211 7.8514 7.8514 8.3342 8.3342 8.4917 8.4917 8.5244 8.5244 8.5446 8.5446 9.7303 9.7303 11.6973 11.6973 k = 0.0000 0.3276-0.0000 ( 6311 PWs) bands (ev): -48.7714 -48.7714 -26.3903 -26.3903 -24.3081 -24.3081 -24.3063 -24.3063 -6.8209 -6.8209 -6.2395 -6.2395 -6.0094 -6.0094 -5.9920 -5.9920 0.9025 0.9025 1.1077 1.1077 1.8538 1.8538 1.9694 1.9694 2.4032 2.4032 2.4216 2.4216 2.5779 2.5779 2.9211 2.9211 2.9386 2.9386 2.9531 2.9531 3.5018 3.5018 3.5275 3.5275 3.6478 3.6478 3.9607 3.9607 4.1110 4.1110 4.2465 4.2465 4.2862 4.2862 4.4311 4.4311 4.4798 4.4798 4.5402 4.5402 4.8038 4.8038 4.8562 4.8562 4.9778 4.9778 5.0404 5.0404 5.4748 5.4748 5.8778 5.8778 5.9130 5.9130 7.8392 7.8392 8.3390 8.3390 8.5103 8.5103 8.5425 8.5425 8.5635 8.5635 9.8203 9.8203 11.6796 11.6796 k = 0.0000 0.3448-0.0000 ( 6311 PWs) bands (ev): -48.7714 -48.7714 -26.3904 -26.3904 -24.3082 -24.3082 -24.3063 -24.3063 -6.8022 -6.8022 -6.2602 -6.2602 -6.0094 -6.0094 -5.9921 -5.9921 0.9178 0.9178 1.1448 1.1448 1.8524 1.8524 1.9665 1.9665 2.4094 2.4094 2.4274 2.4274 2.5505 2.5505 2.8896 2.8896 2.9247 2.9247 2.9474 2.9474 3.5037 3.5037 3.5305 3.5305 3.6522 3.6522 3.9853 3.9853 4.1034 4.1034 4.2376 4.2376 4.2810 4.2810 4.4231 4.4231 4.4772 4.4772 4.5318 4.5318 4.8033 4.8033 4.8529 4.8529 4.9861 4.9861 5.0450 5.0450 5.4431 5.4431 5.8714 5.8714 5.9057 5.9057 7.8281 7.8281 8.3435 8.3435 8.5276 8.5276 8.5594 8.5594 8.5811 8.5811 9.9081 9.9081 11.6635 11.6635 k = 0.0000 0.3621-0.0000 ( 6323 PWs) bands (ev): -48.7715 -48.7715 -26.3904 -26.3904 -24.3083 -24.3083 -24.3063 -24.3063 -6.7833 -6.7833 -6.2808 -6.2808 -6.0094 -6.0094 -5.9921 -5.9921 0.9323 0.9323 1.1824 1.1824 1.8337 1.8337 1.9811 1.9811 2.4153 2.4153 2.4329 2.4329 2.5248 2.5248 2.8478 2.8478 2.9198 2.9198 2.9434 2.9434 3.5055 3.5055 3.5333 3.5333 3.6563 3.6563 4.0095 4.0095 4.0966 4.0966 4.2293 4.2293 4.2757 4.2757 4.4149 4.4149 4.4749 4.4749 4.5224 4.5224 4.8029 4.8029 4.8500 4.8500 4.9949 4.9949 5.0498 5.0498 5.4130 5.4130 5.8655 5.8655 5.8992 5.8992 7.8181 7.8181 8.3477 8.3477 8.5434 8.5434 8.5747 8.5747 8.5972 8.5972 9.9924 9.9924 11.6492 11.6492 k = 0.0000 0.3793-0.0000 ( 6319 PWs) bands (ev): -48.7715 -48.7715 -26.3905 -26.3905 -24.3084 -24.3084 -24.3063 -24.3063 -6.7647 -6.7647 -6.3011 -6.3011 -6.0093 -6.0093 -5.9921 -5.9921 0.9460 0.9460 1.2202 1.2202 1.8056 1.8056 2.0054 2.0054 2.4207 2.4207 2.4379 2.4379 2.5011 2.5011 2.8054 2.8054 2.9160 2.9160 2.9399 2.9399 3.5072 3.5072 3.5361 3.5361 3.6599 3.6599 4.0330 4.0330 4.0908 4.0908 4.2216 4.2216 4.2708 4.2708 4.4068 4.4068 4.4727 4.4727 4.5125 4.5125 4.8025 4.8025 4.8473 4.8473 5.0039 5.0039 5.0550 5.0550 5.3846 5.3846 5.8602 5.8602 5.8935 5.8935 7.8092 7.8092 8.3514 8.3514 8.5575 8.5575 8.5885 8.5885 8.6118 8.6118 10.0723 10.0723 11.6366 11.6366 k = 0.0000 0.3966-0.0000 ( 6311 PWs) bands (ev): -48.7714 -48.7714 -26.3905 -26.3905 -24.3085 -24.3085 -24.3063 -24.3063 -6.7467 -6.7467 -6.3206 -6.3206 -6.0093 -6.0093 -5.9922 -5.9922 0.9585 0.9585 1.2581 1.2581 1.7735 1.7735 2.0335 2.0335 2.4256 2.4256 2.4424 2.4424 2.4797 2.4797 2.7637 2.7637 2.9128 2.9128 2.9368 2.9368 3.5088 3.5088 3.5386 3.5386 3.6632 3.6632 4.0552 4.0552 4.0863 4.0863 4.2144 4.2144 4.2662 4.2662 4.3989 4.3989 4.4708 4.4708 4.5022 4.5022 4.8022 4.8022 4.8451 4.8451 5.0125 5.0125 5.0608 5.0608 5.3581 5.3581 5.8555 5.8555 5.8885 5.8885 7.8016 7.8016 8.3547 8.3547 8.5700 8.5700 8.6006 8.6006 8.6247 8.6247 10.1466 10.1466 11.6257 11.6257 k = 0.0000 0.4138-0.0000 ( 6323 PWs) bands (ev): -48.7715 -48.7715 -26.3905 -26.3905 -24.3086 -24.3086 -24.3063 -24.3063 -6.7296 -6.7296 -6.3390 -6.3390 -6.0092 -6.0092 -5.9922 -5.9922 0.9695 0.9695 1.2956 1.2956 1.7399 1.7399 2.0627 2.0627 2.4297 2.4297 2.4462 2.4462 2.4613 2.4613 2.7238 2.7238 2.9100 2.9100 2.9340 2.9340 3.5101 3.5101 3.5408 3.5408 3.6659 3.6659 4.0725 4.0725 4.0862 4.0862 4.2075 4.2075 4.2620 4.2620 4.3914 4.3914 4.4691 4.4691 4.4923 4.4923 4.8020 4.8020 4.8431 4.8431 5.0201 5.0201 5.0676 5.0676 5.3338 5.3338 5.8515 5.8515 5.8843 5.8843 7.7951 7.7951 8.3575 8.3575 8.5806 8.5806 8.6110 8.6110 8.6357 8.6357 10.2138 10.2138 11.6165 11.6165 k = 0.0000 0.4310-0.0000 ( 6319 PWs) bands (ev): -48.7715 -48.7715 -26.3905 -26.3905 -24.3086 -24.3086 -24.3063 -24.3063 -6.7140 -6.7140 -6.3557 -6.3557 -6.0092 -6.0092 -5.9922 -5.9922 0.9790 0.9790 1.3320 1.3320 1.7062 1.7062 2.0911 2.0911 2.4325 2.4325 2.4459 2.4459 2.4500 2.4500 2.6870 2.6870 2.9076 2.9076 2.9318 2.9318 3.5113 3.5113 3.5427 3.5427 3.6682 3.6682 4.0746 4.0746 4.1008 4.1008 4.2009 4.2009 4.2584 4.2584 4.3845 4.3845 4.4676 4.4676 4.4832 4.4832 4.8018 4.8018 4.8415 4.8415 5.0262 5.0262 5.0753 5.0753 5.3120 5.3120 5.8482 5.8482 5.8809 5.8809 7.7897 7.7897 8.3598 8.3598 8.5895 8.5895 8.6195 8.6195 8.6449 8.6449 10.2723 10.2723 11.6090 11.6090 k = 0.0000 0.4483-0.0000 ( 6343 PWs) bands (ev): -48.7716 -48.7716 -26.3906 -26.3906 -24.3087 -24.3087 -24.3063 -24.3063 -6.7005 -6.7005 -6.3700 -6.3700 -6.0092 -6.0092 -5.9922 -5.9922 0.9866 0.9866 1.3663 1.3663 1.6737 1.6737 2.1168 2.1168 2.4296 2.4296 2.4393 2.4393 2.4522 2.4522 2.6548 2.6548 2.9058 2.9058 2.9299 2.9299 3.5123 3.5123 3.5442 3.5442 3.6699 3.6699 4.0726 4.0726 4.1183 4.1183 4.1943 4.1943 4.2555 4.2555 4.3784 4.3784 4.4661 4.4661 4.4757 4.4757 4.8016 4.8016 4.8402 4.8402 5.0306 5.0306 5.0834 5.0834 5.2934 5.2934 5.8455 5.8455 5.8783 5.8783 7.7856 7.7856 8.3616 8.3616 8.5964 8.5964 8.6262 8.6262 8.6521 8.6521 10.3203 10.3203 11.6032 11.6032 k = 0.0000 0.4655-0.0000 ( 6342 PWs) bands (ev): -48.7716 -48.7716 -26.3906 -26.3906 -24.3087 -24.3087 -24.3063 -24.3063 -6.6900 -6.6900 -6.3811 -6.3811 -6.0092 -6.0092 -5.9922 -5.9922 0.9921 0.9921 1.3965 1.3965 1.6448 1.6448 2.1377 2.1377 2.4219 2.4219 2.4400 2.4400 2.4540 2.4540 2.6292 2.6292 2.9044 2.9044 2.9286 2.9286 3.5130 3.5130 3.5453 3.5453 3.6712 3.6712 4.0708 4.0708 4.1339 4.1339 4.1877 4.1877 4.2533 4.2533 4.3736 4.3736 4.4642 4.4642 4.4708 4.4708 4.8015 4.8015 4.8393 4.8393 5.0336 5.0336 5.0907 5.0907 5.2789 5.2789 5.8437 5.8437 5.8764 5.8764 7.7826 7.7826 8.3630 8.3630 8.6013 8.6013 8.6309 8.6309 8.6572 8.6572 10.3562 10.3562 11.5990 11.5990 k = 0.0000 0.4828-0.0000 ( 6358 PWs) bands (ev): -48.7717 -48.7717 -26.3906 -26.3906 -24.3088 -24.3088 -24.3064 -24.3064 -6.6833 -6.6833 -6.3882 -6.3882 -6.0091 -6.0091 -5.9922 -5.9922 0.9955 0.9955 1.4189 1.4189 1.6232 1.6232 2.1516 2.1516 2.4167 2.4167 2.4411 2.4411 2.4551 2.4551 2.6125 2.6125 2.9036 2.9036 2.9278 2.9278 3.5134 3.5134 3.5460 3.5460 3.6719 3.6719 4.0697 4.0697 4.1459 4.1459 4.1813 4.1813 4.2520 4.2520 4.3705 4.3705 4.4620 4.4620 4.4685 4.4685 4.8014 4.8014 4.8387 4.8387 5.0353 5.0353 5.0959 5.0959 5.2694 5.2694 5.8425 5.8425 5.8753 5.8753 7.7808 7.7808 8.3638 8.3638 8.6043 8.6043 8.6338 8.6338 8.6603 8.6603 10.3785 10.3785 11.5965 11.5965 k = 0.0000 0.5000-0.0000 ( 6382 PWs) bands (ev): -48.7718 -48.7718 -26.3906 -26.3906 -24.3088 -24.3088 -24.3064 -24.3064 -6.6810 -6.6810 -6.3906 -6.3906 -6.0091 -6.0091 -5.9922 -5.9922 0.9967 0.9967 1.4275 1.4275 1.6148 1.6148 2.1565 2.1565 2.4149 2.4149 2.4415 2.4415 2.4555 2.4555 2.6066 2.6066 2.9033 2.9033 2.9275 2.9275 3.5135 3.5135 3.5462 3.5462 3.6722 3.6722 4.0693 4.0693 4.1511 4.1511 4.1781 4.1781 4.2515 4.2515 4.3693 4.3693 4.4610 4.4610 4.4679 4.4679 4.8014 4.8014 4.8385 4.8385 5.0358 5.0358 5.0978 5.0978 5.2661 5.2661 5.8421 5.8421 5.8749 5.8749 7.7802 7.7802 8.3640 8.3640 8.6053 8.6053 8.6347 8.6347 8.6613 8.6613 10.3861 10.3861 11.5956 11.5956 k = 0.0000 0.5000-0.0000 ( 6382 PWs) bands (ev): -48.7718 -48.7718 -26.3906 -26.3906 -24.3088 -24.3088 -24.3064 -24.3064 -6.6810 -6.6810 -6.3906 -6.3906 -6.0091 -6.0091 -5.9922 -5.9922 0.9967 0.9967 1.4275 1.4275 1.6148 1.6148 2.1565 2.1565 2.4149 2.4149 2.4415 2.4415 2.4555 2.4555 2.6066 2.6066 2.9033 2.9033 2.9275 2.9275 3.5135 3.5135 3.5462 3.5462 3.6722 3.6722 4.0693 4.0693 4.1511 4.1511 4.1781 4.1781 4.2515 4.2515 4.3693 4.3693 4.4610 4.4610 4.4679 4.4679 4.8014 4.8014 4.8385 4.8385 5.0358 5.0358 5.0978 5.0978 5.2661 5.2661 5.8421 5.8421 5.8749 5.8749 7.7802 7.7802 8.3640 8.3640 8.6053 8.6053 8.6347 8.6347 8.6613 8.6613 10.3861 10.3861 11.5956 11.5956 k = 0.0172 0.5000-0.0000 ( 6350 PWs) bands (ev): -48.7716 -48.7716 -26.3906 -26.3906 -24.3088 -24.3088 -24.3064 -24.3064 -6.6805 -6.6805 -6.3907 -6.3900 -6.0099 -6.0090 -5.9926 -5.9925 0.9971 0.9978 1.4276 1.4277 1.6146 1.6147 2.1561 2.1571 2.4143 2.4155 2.4406 2.4421 2.4552 2.4557 2.6059 2.6073 2.9029 2.9031 2.9270 2.9275 3.5114 3.5130 3.5433 3.5462 3.6727 3.6737 4.0680 4.0697 4.1500 4.1516 4.1706 4.1847 4.2407 4.2654 4.3687 4.3695 4.4574 4.4575 4.4675 4.4803 4.7960 4.8034 4.8296 4.8462 5.0308 5.0444 5.0952 5.1011 5.2619 5.2713 5.8376 5.8447 5.8736 5.8742 7.7804 7.7828 8.3643 8.3672 8.5880 8.6137 8.6306 8.6337 8.6546 8.6804 10.3872 10.3880 11.5970 11.5972 k = 0.0345 0.5000-0.0000 ( 6346 PWs) bands (ev): -48.7716 -48.7716 -26.3906 -26.3906 -24.3088 -24.3088 -24.3064 -24.3064 -6.6791 -6.6790 -6.3902 -6.3889 -6.0114 -6.0097 -5.9937 -5.9936 0.9992 1.0005 1.4281 1.4282 1.6141 1.6144 2.1558 2.1579 2.4137 2.4160 2.4395 2.4426 2.4547 2.4558 2.6049 2.6076 2.9019 2.9021 2.9257 2.9270 3.5069 3.5098 3.5376 3.5432 3.6752 3.6772 4.0658 4.0691 4.1476 4.1514 4.1642 4.1879 4.2345 4.2807 4.3668 4.3700 4.4501 4.4548 4.4757 4.4953 4.7856 4.8031 4.8225 4.8501 5.0301 5.0541 5.0936 5.1056 5.2588 5.2776 5.8311 5.8453 5.8703 5.8717 7.7834 7.7882 8.3680 8.3738 8.5690 8.6016 8.6274 8.6297 8.6657 8.7023 10.3912 10.3928 11.6010 11.6017 k = 0.0517 0.5000-0.0000 ( 6350 PWs) bands (ev): -48.7716 -48.7716 -26.3906 -26.3906 -24.3088 -24.3088 -24.3064 -24.3064 -6.6766 -6.6765 -6.3893 -6.3873 -6.0136 -6.0111 -5.9955 -5.9953 1.0028 1.0047 1.4289 1.4290 1.6133 1.6139 2.1558 2.1588 2.4131 2.4166 2.4380 2.4428 2.4543 2.4559 2.6037 2.6078 2.9003 2.9003 2.9238 2.9260 3.5001 3.5037 3.5297 3.5373 3.6795 3.6823 4.0627 4.0678 4.1434 4.1502 4.1604 4.1871 4.2334 4.2959 4.3643 4.3720 4.4446 4.4528 4.4866 4.5123 4.7706 4.8008 4.8179 4.8498 5.0327 5.0620 5.0942 5.1128 5.2567 5.2852 5.8228 5.8437 5.8650 5.8673 7.7891 7.7964 8.3748 8.3838 8.5503 8.5822 8.6226 8.6233 8.6839 8.7249 10.3983 10.4006 11.6071 11.6088 k = 0.0690 0.5000-0.0000 ( 6340 PWs) bands (ev): -48.7716 -48.7716 -26.3906 -26.3906 -24.3088 -24.3088 -24.3064 -24.3064 -6.6732 -6.6731 -6.3878 -6.3852 -6.0166 -6.0132 -5.9978 -5.9978 1.0079 1.0104 1.4300 1.4302 1.6123 1.6130 2.1560 2.1600 2.4126 2.4172 2.4361 2.4424 2.4542 2.4563 2.6024 2.6078 2.8975 2.8981 2.9213 2.9248 3.4913 3.4950 3.5199 3.5287 3.6852 3.6886 4.0591 4.0657 4.1381 4.1480 4.1591 4.1845 4.2351 4.3092 4.3628 4.3762 4.4406 4.4514 4.4999 4.5311 4.7530 4.7961 4.8150 4.8464 5.0352 5.0660 5.0993 5.1236 5.2560 5.2944 5.8131 5.8402 5.8578 5.8614 7.7976 7.8072 8.3843 8.3967 8.5327 8.5624 8.6147 8.6151 8.7038 8.7475 10.4082 10.4114 11.6146 11.6180 k = 0.0862 0.5000-0.0000 ( 6328 PWs) bands (ev): -48.7715 -48.7715 -26.3907 -26.3907 -24.3088 -24.3088 -24.3065 -24.3065 -6.6689 -6.6687 -6.3859 -6.3826 -6.0202 -6.0163 -6.0008 -6.0007 1.0145 1.0176 1.4314 1.4317 1.6109 1.6118 2.1565 2.1615 2.4120 2.4178 2.4337 2.4412 2.4548 2.4571 2.6010 2.6076 2.8936 2.8951 2.9184 2.9235 3.4806 3.4835 3.5088 3.5177 3.6920 3.6960 4.0552 4.0631 4.1330 4.1450 4.1593 4.1821 4.2371 4.3176 4.3648 4.3824 4.4381 4.4506 4.5150 4.5511 4.7343 4.7886 4.8129 4.8418 5.0345 5.0659 5.1102 5.1372 5.2569 5.3052 5.8020 5.8350 5.8490 5.8539 7.8086 7.8206 8.3955 8.4121 8.5171 8.5434 8.6044 8.6055 8.7242 8.7699 10.4211 10.4250 11.6228 11.6285 k = 0.1034 0.5000-0.0000 ( 6322 PWs) bands (ev): -48.7715 -48.7715 -26.3907 -26.3907 -24.3088 -24.3088 -24.3065 -24.3065 -6.6636 -6.6633 -6.3834 -6.3796 -6.0246 -6.0202 -6.0045 -6.0041 1.0224 1.0262 1.4330 1.4333 1.6092 1.6102 2.1575 2.1635 2.4113 2.4184 2.4308 2.4393 2.4559 2.4582 2.5996 2.6073 2.8886 2.8913 2.9152 2.9221 3.4683 3.4695 3.4965 3.5045 3.6997 3.7040 4.0514 4.0600 4.1286 4.1418 4.1602 4.1806 4.2385 4.3198 4.3709 4.3896 4.4380 4.4509 4.5316 4.5722 4.7153 4.7783 4.8112 4.8375 5.0300 5.0627 5.1250 5.1515 5.2603 5.3178 5.7900 5.8283 5.8386 5.8449 7.8223 7.8365 8.4067 8.4289 8.5051 8.5262 8.5926 8.5944 8.7443 8.7918 10.4369 10.4414 11.6308 11.6392 k = 0.1207 0.5000-0.0000 ( 6314 PWs) bands (ev): -48.7714 -48.7714 -26.3907 -26.3907 -24.3089 -24.3089 -24.3066 -24.3066 -6.6574 -6.6571 -6.3805 -6.3760 -6.0297 -6.0250 -6.0088 -6.0079 1.0317 1.0360 1.4349 1.4353 1.6071 1.6083 2.1591 2.1659 2.4108 2.4190 2.4277 2.4369 2.4577 2.4596 2.5982 2.6070 2.8825 2.8864 2.9119 2.9207 3.4533 3.4543 3.4833 3.4895 3.7079 3.7125 4.0480 4.0569 4.1251 4.1388 4.1617 4.1800 4.2391 4.3178 4.3775 4.3962 4.4415 4.4529 4.5490 4.5937 4.6968 4.7657 4.8098 4.8339 5.0229 5.0571 5.1402 5.1652 5.2674 5.3323 5.7773 5.8206 5.8271 5.8346 7.8383 7.8548 8.4149 8.4449 8.4992 8.5126 8.5799 8.5825 8.7641 8.8131 10.4555 10.4606 11.6380 11.6489 k = 0.1379 0.5000-0.0000 ( 6314 PWs) bands (ev): -48.7714 -48.7714 -26.3907 -26.3907 -24.3089 -24.3089 -24.3066 -24.3066 -6.6503 -6.6499 -6.3771 -6.3720 -6.0356 -6.0308 -6.0136 -6.0121 1.0422 1.0471 1.4370 1.4373 1.6046 1.6058 2.1614 2.1691 2.4102 2.4191 2.4247 2.4341 2.4598 2.4613 2.5969 2.6065 2.8752 2.8804 2.9088 2.9193 3.4352 3.4389 3.4692 3.4731 3.7164 3.7212 4.0453 4.0538 4.1225 4.1367 4.1634 4.1799 4.2392 4.3141 4.3811 4.4006 4.4498 4.4575 4.5668 4.6152 4.6794 4.7517 4.8087 4.8310 5.0140 5.0498 5.1523 5.1769 5.2797 5.3486 5.7641 5.8121 5.8150 5.8233 7.8566 7.8753 8.4164 8.4542 8.5018 8.5069 8.5677 8.5715 8.7832 8.8336 10.4768 10.4825 11.6436 11.6568 k = 0.1552 0.5000-0.0000 ( 6310 PWs) bands (ev): -48.7714 -48.7714 -26.3908 -26.3908 -24.3089 -24.3089 -24.3067 -24.3067 -6.6423 -6.6419 -6.3733 -6.3676 -6.0424 -6.0375 -6.0188 -6.0167 1.0537 1.0593 1.4392 1.4396 1.6016 1.6029 2.1646 2.1730 2.4096 2.4179 2.4230 2.4312 2.4623 2.4632 2.5957 2.6061 2.8669 2.8731 2.9059 2.9178 3.4156 3.4219 3.4541 3.4555 3.7252 3.7299 4.0433 4.0511 4.1209 4.1356 4.1655 4.1801 4.2392 4.3098 4.3809 4.4020 4.4622 4.4644 4.5842 4.6346 4.6653 4.7374 4.8080 4.8286 5.0039 5.0411 5.1595 5.1860 5.2977 5.3664 5.7506 5.8023 5.8031 5.8122 7.8770 7.8978 8.4115 8.4515 8.5090 8.5098 8.5598 8.5660 8.8016 8.8533 10.5008 10.5070 11.6471 11.6621 k = 0.1724 0.5000-0.0000 ( 6318 PWs) bands (ev): -48.7714 -48.7714 -26.3908 -26.3908 -24.3090 -24.3090 -24.3068 -24.3068 -6.6334 -6.6330 -6.3690 -6.3627 -6.0499 -6.0451 -6.0245 -6.0216 1.0663 1.0724 1.4416 1.4419 1.5981 1.5995 2.1688 2.1779 2.4092 2.4151 2.4230 2.4284 2.4650 2.4654 2.5946 2.6057 2.8577 2.8645 2.9033 2.9163 3.3949 3.4036 3.4370 3.4380 3.7339 3.7386 4.0421 4.0491 4.1203 4.1354 4.1676 4.1805 4.2392 4.3055 4.3779 4.4007 4.4723 4.4771 4.6003 4.6395 4.6673 4.7238 4.8077 4.8265 4.9931 5.0312 5.1615 5.1922 5.3202 5.3847 5.7366 5.7894 5.7925 5.8037 7.8994 7.9221 8.4030 8.4419 8.5083 8.5093 8.5650 8.5742 8.8192 8.8718 10.5274 10.5341 11.6479 11.6641 k = 0.1897 0.5000-0.0000 ( 6308 PWs) bands (ev): -48.7714 -48.7714 -26.3909 -26.3909 -24.3090 -24.3090 -24.3069 -24.3069 -6.6238 -6.6234 -6.3642 -6.3574 -6.0582 -6.0535 -6.0306 -6.0269 1.0798 1.0863 1.4440 1.4443 1.5941 1.5955 2.1742 2.1839 2.4088 2.4120 2.4237 2.4258 2.4679 2.4679 2.5937 2.6054 2.8475 2.8549 2.9009 2.9147 3.3733 3.3842 3.4177 3.4211 3.7424 3.7472 4.0418 4.0479 4.1206 4.1361 4.1697 4.1810 4.2395 4.3015 4.3734 4.3977 4.4796 4.4930 4.6135 4.6305 4.6853 4.7130 4.8080 4.8247 4.9819 5.0202 5.1592 5.1952 5.3454 5.4028 5.7219 5.7738 5.7849 5.7985 7.9236 7.9480 8.3933 8.4305 8.4981 8.4994 8.5841 8.5951 8.8359 8.8893 10.5564 10.5635 11.6452 11.6621 k = 0.2069 0.5000-0.0000 ( 6304 PWs) bands (ev): -48.7714 -48.7714 -26.3909 -26.3909 -24.3091 -24.3091 -24.3069 -24.3069 -6.6134 -6.6129 -6.3591 -6.3518 -6.0672 -6.0628 -6.0370 -6.0325 1.0940 1.1010 1.4465 1.4467 1.5895 1.5908 2.1808 2.1911 2.4085 2.4089 2.4236 2.4246 2.4705 2.4711 2.5930 2.6051 2.8365 2.8441 2.8988 2.9131 3.3512 3.3639 3.3977 3.4031 3.7508 3.7555 4.0424 4.0477 4.1219 4.1375 4.1718 4.1816 4.2400 4.2978 4.3680 4.3933 4.4842 4.5090 4.6213 4.6228 4.7045 4.7074 4.8091 4.8230 4.9705 5.0085 5.1537 5.1950 5.3714 5.4195 5.7058 5.7565 5.7817 5.7964 7.9493 7.9753 8.3835 8.4191 8.4839 8.4854 8.6099 8.6220 8.8517 8.9056 10.5878 10.5953 11.6385 11.6557 k = 0.2241 0.5000-0.0000 ( 6300 PWs) bands (ev): -48.7713 -48.7713 -26.3909 -26.3909 -24.3091 -24.3091 -24.3070 -24.3070 -6.6023 -6.6018 -6.3536 -6.3457 -6.0770 -6.0728 -6.0437 -6.0384 1.1088 1.1162 1.4489 1.4492 1.5843 1.5856 2.1890 2.1997 2.4063 2.4084 2.4219 2.4257 2.4734 2.4744 2.5924 2.6049 2.8247 2.8323 2.8969 2.9115 3.3288 3.3429 3.3769 3.3842 3.7587 3.7634 4.0437 4.0486 4.1241 4.1396 4.1738 4.1823 4.2410 4.2944 4.3622 4.3881 4.4849 4.5242 4.6194 4.6219 4.7094 4.7226 4.8114 4.8216 4.9591 4.9961 5.1455 5.1917 5.3963 5.4340 5.6885 5.7379 5.7838 5.7976 7.9762 8.0037 8.3741 8.4084 8.4687 8.4704 8.6386 8.6514 8.8664 8.9206 10.6215 10.6292 11.6276 11.6445 k = 0.2414 0.5000-0.0000 ( 6296 PWs) bands (ev): -48.7713 -48.7713 -26.3910 -26.3910 -24.3092 -24.3092 -24.3071 -24.3071 -6.5905 -6.5900 -6.3477 -6.3394 -6.0875 -6.0835 -6.0507 -6.0447 1.1240 1.1318 1.4513 1.4515 1.5785 1.5797 2.1988 2.2097 2.4042 2.4085 2.4207 2.4270 2.4764 2.4778 2.5920 2.6048 2.8122 2.8196 2.8952 2.9098 3.3063 3.3216 3.3555 3.3645 3.7662 3.7709 4.0459 4.0506 4.1270 4.1421 4.1756 4.1830 4.2424 4.2914 4.3563 4.3824 4.4812 4.5377 4.6169 4.6209 4.7179 4.7385 4.8152 4.8204 4.9478 4.9831 5.1351 5.1853 5.4192 5.4459 5.6700 5.7185 5.7915 5.8026 8.0042 8.0328 8.3654 8.3985 8.4536 8.4555 8.6687 8.6821 8.8801 8.9343 10.6572 10.6651 11.6120 11.6283 k = 0.2586 0.5000-0.0000 ( 6292 PWs) bands (ev): -48.7713 -48.7713 -26.3910 -26.3910 -24.3092 -24.3092 -24.3071 -24.3071 -6.5781 -6.5775 -6.3415 -6.3327 -6.0987 -6.0948 -6.0579 -6.0513 1.1396 1.1476 1.4536 1.4538 1.5721 1.5731 2.2102 2.2213 2.4026 2.4088 2.4202 2.4283 2.4796 2.4814 2.5918 2.6046 2.7988 2.8060 2.8937 2.9082 3.2840 3.3001 3.3335 3.3439 3.7732 3.7780 4.0488 4.0537 4.1307 4.1448 4.1770 4.1839 4.2443 4.2889 4.3505 4.3763 4.4737 4.5471 4.6114 4.6266 4.7297 4.7517 4.8197 4.8209 4.9367 4.9699 5.1228 5.1760 5.4390 5.4552 5.6508 5.6985 5.8043 5.8115 8.0330 8.0625 8.3574 8.3893 8.4392 8.4414 8.6995 8.7131 8.8927 8.9466 10.6948 10.7029 11.5919 11.6073 k = 0.2759 0.5000-0.0000 ( 6296 PWs) bands (ev): -48.7713 -48.7713 -26.3911 -26.3911 -24.3093 -24.3093 -24.3072 -24.3072 -6.5652 -6.5645 -6.3350 -6.3259 -6.1105 -6.1067 -6.0653 -6.0582 1.1553 1.1636 1.4558 1.4559 1.5651 1.5659 2.2235 2.2346 2.4018 2.4094 2.4203 2.4299 2.4829 2.4850 2.5916 2.6044 2.7848 2.7915 2.8923 2.9065 3.2621 3.2787 3.3110 3.3226 3.7798 3.7845 4.0524 4.0578 4.1349 4.1477 4.1781 4.1847 4.2468 4.2867 4.3451 4.3701 4.4635 4.5489 4.6111 4.6354 4.7422 4.7619 4.8196 4.8283 4.9261 4.9565 5.1091 5.1641 5.4555 5.4621 5.6315 5.6782 5.8214 5.8243 8.0622 8.0922 8.3503 8.3809 8.4259 8.4284 8.7303 8.7438 8.9043 8.9574 10.7342 10.7424 11.5676 11.5818 k = 0.2931 0.5000-0.0000 ( 6296 PWs) bands (ev): -48.7713 -48.7713 -26.3911 -26.3911 -24.3094 -24.3094 -24.3073 -24.3073 -6.5517 -6.5511 -6.3282 -6.3187 -6.1228 -6.1191 -6.0730 -6.0654 1.1711 1.1795 1.4579 1.4579 1.5575 1.5581 2.2386 2.2496 2.4016 2.4103 2.4210 2.4316 2.4864 2.4887 2.5914 2.6041 2.7701 2.7762 2.8913 2.9049 3.2407 3.2576 3.2880 3.3007 3.7857 3.7906 4.0567 4.0629 4.1395 4.1505 4.1788 4.1857 4.2499 4.2851 4.3402 4.3638 4.4517 4.5421 4.6182 4.6463 4.7541 4.7696 4.8206 4.8371 4.9159 4.9430 5.0941 5.1499 5.4672 5.4685 5.6123 5.6579 5.8406 5.8415 8.0915 8.1216 8.3441 8.3733 8.4141 8.4167 8.7607 8.7739 8.9149 8.9668 10.7752 10.7834 11.5397 11.5525 k = 0.3103 0.5000-0.0000 ( 6296 PWs) bands (ev): -48.7713 -48.7713 -26.3912 -26.3912 -24.3095 -24.3095 -24.3073 -24.3073 -6.5379 -6.5372 -6.3213 -6.3115 -6.1355 -6.1320 -6.0807 -6.0727 1.1868 1.1952 1.4597 1.4597 1.5494 1.5498 2.2556 2.2663 2.4021 2.4115 2.4223 2.4334 2.4900 2.4925 2.5912 2.6037 2.7547 2.7601 2.8904 2.9033 3.2201 3.2370 3.2650 3.2785 3.7912 3.7961 4.0616 4.0688 4.1442 4.1531 4.1790 4.1866 4.2538 4.2842 4.3359 4.3576 4.4392 4.5300 4.6300 4.6583 4.7640 4.7753 4.8231 4.8462 4.9062 4.9297 5.0782 5.1337 5.4710 5.4784 5.5937 5.6378 5.8595 5.8635 8.1206 8.1503 8.3387 8.3663 8.4040 8.4064 8.7903 8.8030 8.9244 8.9746 10.8176 10.8257 11.5089 11.5202 k = 0.3276 0.5000-0.0000 ( 6298 PWs) bands (ev): -48.7713 -48.7713 -26.3912 -26.3912 -24.3095 -24.3095 -24.3074 -24.3074 -6.5237 -6.5230 -6.3141 -6.3041 -6.1486 -6.1452 -6.0885 -6.0802 1.2023 1.2107 1.4613 1.4614 1.5409 1.5410 2.2744 2.2846 2.4032 2.4132 2.4241 2.4353 2.4937 2.4963 2.5910 2.6030 2.7386 2.7431 2.8897 2.9018 3.2004 3.2170 3.2420 3.2562 3.7962 3.8010 4.0671 4.0753 4.1490 4.1552 4.1786 4.1875 4.2584 4.2840 4.3322 4.3515 4.4266 4.5154 4.6440 4.6711 4.7716 4.7799 4.8274 4.8546 4.8971 4.9166 5.0616 5.1160 5.4740 5.4855 5.5760 5.6183 5.8802 5.8864 8.1489 8.1778 8.3342 8.3601 8.3957 8.3977 8.8188 8.8306 8.9329 8.9810 10.8612 10.8692 11.4761 11.4860 k = 0.3448 0.5000-0.0000 ( 6292 PWs) bands (ev): -48.7713 -48.7713 -26.3913 -26.3913 -24.3096 -24.3096 -24.3074 -24.3074 -6.5093 -6.5086 -6.3069 -6.2968 -6.1620 -6.1587 -6.0963 -6.0878 1.2175 1.2257 1.4628 1.4629 1.5318 1.5320 2.2950 2.3045 2.4050 2.4151 2.4264 2.4373 2.4976 2.5001 2.5906 2.6021 2.7217 2.7254 2.8892 2.9003 3.1818 3.1978 3.2197 3.2340 3.8006 3.8055 4.0730 4.0823 4.1535 4.1569 4.1777 4.1882 4.2639 4.2846 4.3290 4.3458 4.4142 4.4996 4.6589 4.6844 4.7767 4.7841 4.8335 4.8617 4.8886 4.9041 5.0448 5.0974 5.4765 5.4905 5.5596 5.5996 5.9017 5.9091 8.1761 8.2034 8.3308 8.3550 8.3889 8.3904 8.8458 8.8565 8.9407 8.9859 10.9057 10.9136 11.4424 11.4509 k = 0.3621 0.5000-0.0000 ( 6294 PWs) bands (ev): -48.7713 -48.7713 -26.3913 -26.3913 -24.3097 -24.3097 -24.3074 -24.3074 -6.4948 -6.4941 -6.2998 -6.2895 -6.1755 -6.1722 -6.1040 -6.0954 1.2323 1.2402 1.4640 1.4642 1.5224 1.5229 2.3172 2.3259 2.4073 2.4174 2.4289 2.4393 2.5015 2.5039 2.5900 2.6009 2.7041 2.7069 2.8889 2.8990 3.1646 3.1793 3.1983 3.2123 3.8047 3.8093 4.0795 4.0897 4.1575 4.1580 4.1762 4.1885 4.2703 4.2862 4.3265 4.3405 4.4023 4.4835 4.6742 4.6977 4.7799 4.7880 4.8406 4.8666 4.8807 4.8924 5.0279 5.0783 5.4786 5.4939 5.5448 5.5819 5.9230 5.9310 8.2016 8.2266 8.3286 8.3513 8.3835 8.3846 8.8709 8.8803 8.9476 8.9894 10.9510 10.9587 11.4089 11.4161 k = 0.3793 0.5000-0.0000 ( 6294 PWs) bands (ev): -48.7713 -48.7713 -26.3913 -26.3913 -24.3097 -24.3097 -24.3075 -24.3075 -6.4804 -6.4797 -6.2927 -6.2825 -6.1890 -6.1857 -6.1114 -6.1030 1.2464 1.2539 1.4650 1.4652 1.5130 1.5138 2.3409 2.3486 2.4100 2.4198 2.4316 2.4412 2.5054 2.5078 2.5893 2.5994 2.6856 2.6876 2.8888 2.8977 3.1488 3.1616 3.1787 3.1914 3.8082 3.8127 4.0864 4.0971 4.1585 4.1607 4.1745 4.1883 4.2776 4.2888 4.3245 4.3356 4.3912 4.4672 4.6897 4.7108 4.7822 4.7921 4.8478 4.8685 4.8733 4.8823 5.0115 5.0593 5.4806 5.4960 5.5317 5.5654 5.9435 5.9515 8.2247 8.2465 8.3279 8.3495 8.3793 8.3800 8.8940 8.9017 8.9539 8.9915 10.9967 11.0042 11.3766 11.3826 k = 0.3966 0.5000-0.0000 ( 6290 PWs) bands (ev): -48.7712 -48.7712 -26.3914 -26.3914 -24.3098 -24.3098 -24.3075 -24.3075 -6.4662 -6.4655 -6.2859 -6.2760 -6.2021 -6.1988 -6.1185 -6.1104 1.2597 1.2667 1.4657 1.4660 1.5039 1.5048 2.3659 2.3722 2.4129 2.4225 2.4343 2.4429 2.5093 2.5115 2.5885 2.5976 2.6662 2.6674 2.8889 2.8966 3.1346 3.1447 3.1613 3.1720 3.8114 3.8155 4.0936 4.1045 4.1584 4.1626 4.1731 4.1877 4.2858 4.2922 4.3229 4.3313 4.3808 4.4509 4.7050 4.7236 4.7842 4.7967 4.8541 4.8648 4.8668 4.8762 4.9961 5.0408 5.4824 5.4972 5.5206 5.5503 5.9624 5.9700 8.2446 8.2624 8.3292 8.3499 8.3760 8.3764 8.9147 8.9205 8.9597 8.9924 11.0426 11.0498 11.3465 11.3513 k = 0.4138 0.5000-0.0000 ( 6290 PWs) bands (ev): -48.7712 -48.7712 -26.3914 -26.3914 -24.3099 -24.3099 -24.3075 -24.3075 -6.4527 -6.4520 -6.2797 -6.2702 -6.2144 -6.2112 -6.1251 -6.1175 1.2721 1.2784 1.4662 1.4665 1.4952 1.4963 2.3919 2.3963 2.4160 2.4255 2.4370 2.4444 2.5131 2.5151 2.5875 2.5955 2.6458 2.6464 2.8892 2.8956 3.1220 3.1290 3.1465 3.1545 3.8141 3.8178 4.1011 4.1117 4.1575 4.1623 4.1729 4.1866 4.2947 4.2964 4.3217 4.3276 4.3714 4.4349 4.7198 4.7355 4.7866 4.8018 4.8571 4.8572 4.8624 4.8725 4.9823 5.0234 5.4842 5.4977 5.5116 5.5368 5.9793 5.9860 8.2603 8.2739 8.3329 8.3527 8.3735 8.3738 8.9328 8.9363 8.9652 8.9921 11.0881 11.0950 11.3194 11.3232 k = 0.4310 0.5000-0.0000 ( 6286 PWs) bands (ev): -48.7712 -48.7712 -26.3914 -26.3914 -24.3099 -24.3099 -24.3075 -24.3075 -6.4400 -6.4394 -6.2743 -6.2656 -6.2254 -6.2224 -6.1309 -6.1241 1.2832 1.2886 1.4662 1.4666 1.4876 1.4886 2.4174 2.4184 2.4191 2.4318 2.4397 2.4457 2.5166 2.5184 2.5865 2.5932 2.6244 2.6246 2.8895 2.8947 3.1113 3.1151 3.1343 3.1394 3.8165 3.8195 4.1087 4.1186 4.1557 4.1598 4.1739 4.1852 4.3011 4.3042 4.3209 4.3246 4.3632 4.4192 4.7337 4.7462 4.7901 4.8079 4.8494 4.8535 4.8633 4.8675 4.9710 5.0075 5.4859 5.4977 5.5047 5.5250 5.9938 5.9994 8.2716 8.2812 8.3389 8.3571 8.3716 8.3720 8.9482 8.9492 8.9704 8.9908 11.1325 11.1390 11.2962 11.2991 k = 0.4483 0.5000-0.0000 ( 6276 PWs) bands (ev): -48.7712 -48.7712 -26.3914 -26.3914 -24.3099 -24.3099 -24.3075 -24.3075 -6.4289 -6.4284 -6.2703 -6.2630 -6.2340 -6.2315 -6.1356 -6.1300 1.2928 1.2971 1.4656 1.4661 1.4815 1.4823 2.4217 2.4249 2.4416 2.4446 2.4476 2.4521 2.5198 2.5212 2.5853 2.5906 2.6021 2.6022 2.8900 2.8939 3.1023 3.1038 3.1247 3.1275 3.8184 3.8208 4.1163 4.1251 4.1529 4.1563 4.1753 4.1836 4.3062 4.3135 4.3204 4.3224 4.3566 4.4039 4.7458 4.7550 4.7953 4.8151 4.8427 4.8487 4.8607 4.8628 4.9633 4.9935 5.4877 5.4974 5.5000 5.5149 6.0055 6.0099 8.2790 8.2853 8.3465 8.3618 8.3700 8.3708 8.9591 8.9607 8.9752 8.9887 11.1747 11.1806 11.2775 11.2796 k = 0.4655 0.5000-0.0000 ( 6280 PWs) bands (ev): -48.7712 -48.7712 -26.3914 -26.3914 -24.3100 -24.3100 -24.3076 -24.3076 -6.4200 -6.4196 -6.2681 -6.2632 -6.2391 -6.2376 -6.1389 -6.1349 1.3003 1.3034 1.4644 1.4649 1.4776 1.4781 2.4241 2.4268 2.4436 2.4467 2.4732 2.4771 2.5223 2.5234 2.5766 2.5774 2.5865 2.5896 2.8906 2.8932 3.0954 3.0955 3.1178 3.1189 3.8199 3.8215 4.1238 4.1312 4.1491 4.1522 4.1767 4.1821 4.3112 4.3198 4.3203 4.3222 4.3528 4.3893 4.7552 4.7611 4.8027 4.8232 4.8374 4.8446 4.8524 4.8590 4.9598 4.9816 5.4895 5.4969 5.4972 5.5066 6.0143 6.0173 8.2834 8.2873 8.3539 8.3656 8.3688 8.3701 8.9667 8.9701 8.9790 8.9858 11.2124 11.2171 11.2639 11.2652 k = 0.4828 0.5000-0.0000 ( 6268 PWs) bands (ev): -48.7711 -48.7711 -26.3914 -26.3914 -24.3100 -24.3100 -24.3076 -24.3076 -6.4140 -6.4138 -6.2675 -6.2653 -6.2409 -6.2405 -6.1406 -6.1385 1.3055 1.3070 1.4631 1.4635 1.4757 1.4759 2.4259 2.4274 2.4451 2.4467 2.5001 2.5026 2.5241 2.5247 2.5526 2.5534 2.5857 2.5875 2.8912 2.8925 3.0906 3.0908 3.1135 3.1138 3.8210 3.8218 4.1309 4.1366 4.1444 4.1477 4.1780 4.1806 4.3155 4.3191 4.3212 4.3252 4.3550 4.3757 4.7614 4.7643 4.8122 4.8291 4.8353 4.8419 4.8448 4.8521 4.9605 4.9720 5.4919 5.4961 5.4963 5.5002 6.0199 6.0214 8.2860 8.2879 8.3601 8.3664 8.3687 8.3697 8.9725 8.9763 8.9810 8.9824 11.2409 11.2436 11.2558 11.2562 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -48.7711 -48.7711 -26.3914 -26.3914 -24.3100 -24.3100 -24.3076 -24.3076 -6.4119 -6.4119 -6.2670 -6.2670 -6.2412 -6.2412 -6.1404 -6.1404 1.3078 1.3078 1.4627 1.4627 1.4752 1.4752 2.4270 2.4270 2.4461 2.4461 2.5241 2.5241 2.5257 2.5257 2.5302 2.5302 2.5863 2.5863 2.8918 2.8918 3.0891 3.0891 3.1121 3.1121 3.8216 3.8216 4.1372 4.1372 4.1433 4.1433 4.1793 4.1793 4.3179 4.3179 4.3237 4.3237 4.3637 4.3637 4.7644 4.7644 4.8223 4.8223 4.8413 4.8413 4.8434 4.8434 4.9648 4.9648 5.4952 5.4952 5.4960 5.4960 6.0223 6.0223 8.2875 8.2875 8.3642 8.3642 8.3694 8.3694 8.9771 8.9771 8.9809 8.9809 11.2522 11.2522 11.2538 11.2538 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -48.7711 -48.7711 -26.3914 -26.3914 -24.3100 -24.3100 -24.3076 -24.3076 -6.4119 -6.4119 -6.2670 -6.2670 -6.2412 -6.2412 -6.1404 -6.1404 1.3078 1.3078 1.4627 1.4627 1.4752 1.4752 2.4270 2.4270 2.4461 2.4461 2.5241 2.5241 2.5257 2.5257 2.5302 2.5302 2.5863 2.5863 2.8918 2.8918 3.0891 3.0891 3.1121 3.1121 3.8216 3.8216 4.1372 4.1372 4.1433 4.1433 4.1793 4.1793 4.3179 4.3179 4.3237 4.3237 4.3637 4.3637 4.7644 4.7644 4.8223 4.8223 4.8413 4.8413 4.8434 4.8434 4.9648 4.9648 5.4952 5.4952 5.4960 5.4960 6.0223 6.0223 8.2875 8.2875 8.3642 8.3642 8.3694 8.3694 8.9771 8.9771 8.9809 8.9809 11.2522 11.2522 11.2538 11.2538 k = 0.4878 0.4878-0.0000 ( 6272 PWs) bands (ev): -48.7711 -48.7711 -26.3914 -26.3914 -24.3100 -24.3100 -24.3076 -24.3076 -6.4140 -6.4139 -6.2674 -6.2653 -6.2409 -6.2406 -6.1406 -6.1384 1.3055 1.3070 1.4629 1.4633 1.4759 1.4761 2.4259 2.4274 2.4451 2.4466 2.5000 2.5019 2.5251 2.5260 2.5508 2.5529 2.5858 2.5883 2.8912 2.8925 3.0904 3.0909 3.1135 3.1139 3.8210 3.8218 4.1303 4.1398 4.1409 4.1487 4.1780 4.1806 4.3161 4.3179 4.3215 4.3258 4.3546 4.3759 4.7616 4.7641 4.8126 4.8287 4.8348 4.8435 4.8437 4.8521 4.9605 4.9720 5.4919 5.4955 5.4974 5.4997 6.0199 6.0214 8.2861 8.2879 8.3601 8.3664 8.3687 8.3696 8.9719 8.9781 8.9802 8.9821 11.2388 11.2418 11.2579 11.2581 k = 0.4756 0.4756-0.0000 ( 6276 PWs) bands (ev): -48.7712 -48.7712 -26.3914 -26.3914 -24.3100 -24.3100 -24.3076 -24.3076 -6.4201 -6.4198 -6.2665 -6.2625 -6.2397 -6.2389 -6.1389 -6.1348 1.3004 1.3035 1.4617 1.4627 1.4800 1.4804 2.4240 2.4268 2.4433 2.4465 2.4729 2.4755 2.5264 2.5283 2.5639 2.5688 2.5922 2.5989 2.8906 2.8932 3.0941 3.0960 3.1177 3.1195 3.8199 3.8215 4.1219 4.1394 4.1401 4.1550 4.1767 4.1820 4.3131 4.3140 4.3219 4.3268 4.3494 4.3906 4.7563 4.7593 4.8052 4.8231 4.8330 4.8478 4.8519 4.8590 4.9598 4.9817 5.4893 5.4960 5.4999 5.5050 6.0144 6.0173 8.2837 8.2873 8.3542 8.3669 8.3677 8.3692 8.9639 8.9763 8.9788 8.9826 11.2050 11.2101 11.2722 11.2730 k = 0.4634 0.4634-0.0000 ( 6276 PWs) bands (ev): -48.7712 -48.7712 -26.3914 -26.3914 -24.3099 -24.3099 -24.3075 -24.3075 -6.4296 -6.4293 -6.2644 -6.2591 -6.2376 -6.2364 -6.1356 -6.1296 1.2931 1.2974 1.4572 1.4586 1.4894 1.4897 2.4210 2.4247 2.4378 2.4423 2.4495 2.4524 2.5288 2.5318 2.5632 2.5683 2.6133 2.6216 2.8900 2.8940 3.0990 3.1037 3.1250 3.1296 3.8184 3.8208 4.1132 4.1377 4.1397 4.1601 4.1753 4.1832 4.3070 4.3117 4.3217 4.3269 4.3488 4.4072 4.7491 4.7498 4.8016 4.8147 4.8337 4.8530 4.8613 4.8630 4.9633 4.9936 5.4877 5.4974 5.5034 5.5112 6.0058 6.0102 8.2802 8.2857 8.3465 8.3656 8.3665 8.3686 8.9535 8.9730 8.9764 8.9809 11.1597 11.1657 11.2958 11.2972 k = 0.4512 0.4512-0.0000 ( 6286 PWs) bands (ev): -48.7712 -48.7712 -26.3914 -26.3914 -24.3099 -24.3099 -24.3075 -24.3075 -6.4420 -6.4418 -6.2615 -6.2551 -6.2348 -6.2329 -6.1307 -6.1233 1.2839 1.2894 1.4499 1.4515 1.5029 1.5029 2.4099 2.4127 2.4230 2.4267 2.4428 2.4483 2.5323 2.5365 2.5574 2.5624 2.6386 2.6484 2.8895 2.8949 3.1046 3.1126 3.1360 3.1438 3.8165 3.8195 4.1045 4.1359 4.1388 4.1638 4.1736 4.1838 4.3012 4.3089 4.3196 4.3267 4.3527 4.4251 4.7369 4.7399 4.8009 4.8072 4.8356 4.8588 4.8638 4.8693 4.9709 5.0078 5.4867 5.4996 5.5079 5.5181 5.9945 6.0003 8.2755 8.2828 8.3372 8.3623 8.3653 8.3682 8.9410 8.9682 8.9729 8.9772 11.1075 11.1139 11.3281 11.3302 k = 0.4390 0.4390-0.0000 ( 6288 PWs) bands (ev): -48.7712 -48.7712 -26.3914 -26.3914 -24.3099 -24.3099 -24.3075 -24.3075 -6.4568 -6.4567 -6.2577 -6.2508 -6.2313 -6.2287 -6.1247 -6.1160 1.2734 1.2798 1.4402 1.4421 1.5190 1.5194 2.3817 2.3868 2.4165 2.4235 2.4405 2.4477 2.5369 2.5425 2.5501 2.5552 2.6647 2.6763 2.8890 2.8960 3.1110 3.1219 3.1505 3.1615 3.8142 3.8178 4.0960 4.1342 4.1376 4.1663 4.1715 4.1833 4.2963 4.3054 4.3165 4.3265 4.3602 4.4442 4.7224 4.7293 4.8008 4.8015 4.8389 4.8605 4.8666 4.8751 4.9822 5.0239 5.4863 5.5028 5.5132 5.5255 5.9811 5.9880 8.2695 8.2784 8.3263 8.3572 8.3647 8.3683 8.9266 8.9619 8.9681 8.9714 11.0506 11.0573 11.3681 11.3711 k = 0.4268 0.4268-0.0000 ( 6290 PWs) bands (ev): -48.7712 -48.7712 -26.3914 -26.3914 -24.3098 -24.3098 -24.3075 -24.3075 -6.4736 -6.4734 -6.2534 -6.2461 -6.2271 -6.2240 -6.1177 -6.1080 1.2618 1.2689 1.4283 1.4304 1.5374 1.5383 2.3517 2.3572 2.4121 2.4207 2.4388 2.4474 2.5400 2.5450 2.5472 2.5501 2.6912 2.7048 2.8887 2.8973 3.1182 3.1315 3.1681 3.1816 3.8116 3.8155 4.0877 4.1325 4.1362 4.1677 4.1689 4.1812 4.2926 4.3014 4.3128 4.3265 4.3708 4.4642 4.7073 4.7177 4.7951 4.8026 4.8435 4.8560 4.8742 4.8787 4.9960 5.0416 5.4865 5.5071 5.5192 5.5327 5.9660 5.9741 8.2624 8.2726 8.3142 8.3503 8.3646 8.3690 8.9104 8.9537 8.9621 8.9641 10.9902 10.9969 11.4148 11.4188 k = 0.4146 0.4146-0.0000 ( 6296 PWs) bands (ev): -48.7713 -48.7713 -26.3913 -26.3913 -24.3097 -24.3097 -24.3075 -24.3075 -6.4919 -6.4916 -6.2485 -6.2410 -6.2224 -6.2187 -6.1101 -6.0997 1.2491 1.2569 1.4143 1.4167 1.5580 1.5593 2.3207 2.3265 2.4077 2.4177 2.4376 2.4475 2.5339 2.5401 2.5506 2.5582 2.7180 2.7337 2.8885 2.8989 3.1262 3.1414 3.1876 3.2034 3.8087 3.8128 4.0797 4.1310 4.1349 4.1655 4.1681 4.1772 4.2901 4.2968 4.3093 4.3271 4.3837 4.4846 4.6923 4.7054 4.7903 4.8037 4.8493 4.8497 4.8803 4.8828 5.0116 5.0605 5.4869 5.5125 5.5257 5.5394 5.9501 5.9591 8.2540 8.2653 8.3009 8.3418 8.3654 8.3705 8.8927 8.9435 8.9547 8.9554 10.9269 10.9335 11.4667 11.4719 k = 0.4024 0.4024-0.0000 ( 6304 PWs) bands (ev): -48.7713 -48.7713 -26.3913 -26.3913 -24.3097 -24.3097 -24.3075 -24.3075 -6.5115 -6.5110 -6.2431 -6.2356 -6.2171 -6.2130 -6.1021 -6.0912 1.2355 1.2438 1.3983 1.4010 1.5802 1.5821 2.2892 2.2950 2.4029 2.4144 2.4371 2.4479 2.5272 2.5334 2.5586 2.5678 2.7450 2.7629 2.8885 2.9007 3.1350 3.1517 3.2084 3.2262 3.8055 3.8095 4.0718 4.1297 4.1336 4.1611 4.1673 4.1720 4.2885 4.2922 4.3062 4.3281 4.3987 4.5055 4.6775 4.6928 4.7860 4.8046 4.8421 4.8560 4.8799 4.8920 5.0284 5.0802 5.4874 5.5192 5.5324 5.5449 5.9342 5.9440 8.2449 8.2569 8.2867 8.3319 8.3671 8.3726 8.8736 8.9312 8.9456 8.9458 10.8610 10.8674 11.5223 11.5291 k = 0.3902 0.3902-0.0000 ( 6304 PWs) bands (ev): -48.7713 -48.7713 -26.3913 -26.3913 -24.3096 -24.3096 -24.3074 -24.3074 -6.5320 -6.5314 -6.2373 -6.2297 -6.2113 -6.2068 -6.0940 -6.0827 1.2210 1.2297 1.3806 1.3834 1.6040 1.6063 2.2574 2.2630 2.3981 2.4109 2.4377 2.4489 2.5217 2.5275 2.5678 2.5785 2.7721 2.7922 2.8888 2.9029 3.1444 3.1624 3.2299 3.2496 3.8019 3.8058 4.0643 4.1289 4.1324 4.1556 4.1618 4.1692 4.2875 4.2878 4.3042 4.3296 4.4153 4.5264 4.6634 4.6801 4.7822 4.8054 4.8337 4.8632 4.8783 4.9018 5.0460 5.1003 5.4872 5.5273 5.5394 5.5483 5.9192 5.9296 8.2350 8.2474 8.2717 8.3207 8.3695 8.3753 8.8535 8.9169 8.9345 8.9353 10.7927 10.7990 11.5801 11.5884 k = 0.3780 0.3780-0.0000 ( 6304 PWs) bands (ev): -48.7713 -48.7713 -26.3912 -26.3912 -24.3095 -24.3095 -24.3074 -24.3074 -6.5532 -6.5526 -6.2310 -6.2233 -6.2050 -6.2003 -6.0859 -6.0744 1.2055 1.2145 1.3610 1.3641 1.6291 1.6319 2.2252 2.2308 2.3931 2.4072 2.4393 2.4504 2.5175 2.5226 2.5780 2.5902 2.7995 2.8217 2.8894 2.9053 3.1543 3.1733 3.2516 3.2730 3.7982 3.8017 4.0571 4.1284 4.1311 4.1488 4.1530 4.1684 4.2840 4.2869 4.3034 4.3317 4.4331 4.5469 4.6502 4.6674 4.7788 4.8059 4.8246 4.8683 4.8778 4.9118 5.0643 5.1206 5.4856 5.5367 5.5469 5.5490 5.9061 5.9171 8.2249 8.2373 8.2564 8.3085 8.3724 8.3786 8.8324 8.9008 8.9220 8.9233 10.7223 10.7284 11.6380 11.6482 k = 0.3659 0.3659-0.0000 ( 6302 PWs) bands (ev): -48.7713 -48.7713 -26.3912 -26.3912 -24.3094 -24.3094 -24.3074 -24.3074 -6.5750 -6.5743 -6.2242 -6.2165 -6.1983 -6.1934 -6.0781 -6.0664 1.1891 1.1981 1.3399 1.3431 1.6554 1.6586 2.1931 2.1984 2.3882 2.4034 2.4419 2.4521 2.5152 2.5190 2.5893 2.6030 2.8271 2.8511 2.8903 2.9082 3.1646 3.1845 3.2732 3.2962 3.7942 3.7972 4.0502 4.1276 4.1282 4.1412 4.1443 4.1678 4.2812 4.2864 4.3042 4.3343 4.4519 4.5662 4.6386 4.6549 4.7757 4.8059 4.8153 4.8663 4.8836 4.9216 5.0833 5.1409 5.4814 5.5435 5.5504 5.5555 5.8957 5.9074 8.2146 8.2266 8.2409 8.2955 8.3758 8.3822 8.8105 8.8831 8.9081 8.9096 10.6500 10.6558 11.6945 11.7064 k = 0.3537 0.3537-0.0000 ( 6294 PWs) bands (ev): -48.7713 -48.7713 -26.3911 -26.3911 -24.3093 -24.3093 -24.3073 -24.3073 -6.5972 -6.5964 -6.2170 -6.2093 -6.1912 -6.1861 -6.0705 -6.0587 1.1716 1.1808 1.3172 1.3206 1.6826 1.6862 2.1611 2.1661 2.3832 2.3994 2.4452 2.4535 2.5153 2.5173 2.6016 2.6168 2.8549 2.8804 2.8915 2.9117 3.1752 3.1959 3.2944 3.3188 3.7899 3.7923 4.0438 4.1204 4.1240 4.1354 4.1397 4.1673 4.2796 4.2860 4.3065 4.3374 4.4711 4.5819 4.6309 4.6426 4.7728 4.8022 4.8091 4.8609 4.8920 4.9310 5.1030 5.1610 5.4737 5.5371 5.5624 5.5656 5.8889 5.9011 8.2045 8.2153 8.2261 8.2819 8.3794 8.3860 8.7878 8.8639 8.8926 8.8942 10.5759 10.5814 11.7475 11.7611 k = 0.3415 0.3415-0.0000 ( 6302 PWs) bands (ev): -48.7713 -48.7713 -26.3911 -26.3911 -24.3092 -24.3091 -24.3073 -24.3073 -6.6197 -6.6189 -6.2094 -6.2017 -6.1837 -6.1786 -6.0632 -6.0515 1.1533 1.1623 1.2932 1.2967 1.7106 1.7145 2.1296 2.1342 2.3783 2.3953 2.4483 2.4540 2.5181 2.5186 2.6147 2.6315 2.8827 2.8932 2.9065 2.9185 3.1860 3.2072 3.3149 3.3406 3.7854 3.7872 4.0378 4.1076 4.1144 4.1345 4.1393 4.1670 4.2793 4.2857 4.3102 4.3409 4.4906 4.5882 4.6306 4.6328 4.7699 4.7923 4.8085 4.8543 4.9008 4.9396 5.1237 5.1812 5.4618 5.5252 5.5772 5.5778 5.8857 5.8987 8.1946 8.2025 8.2128 8.2679 8.3831 8.3899 8.7646 8.8433 8.8756 8.8771 10.5001 10.5054 11.7956 11.8107 k = 0.3293 0.3293-0.0000 ( 6316 PWs) bands (ev): -48.7714 -48.7714 -26.3910 -26.3910 -24.3090 -24.3090 -24.3072 -24.3072 -6.6423 -6.6415 -6.2015 -6.1937 -6.1758 -6.1706 -6.0564 -6.0447 1.1340 1.1429 1.2679 1.2715 1.7392 1.7433 2.0986 2.1027 2.3734 2.3912 2.4503 2.4532 2.5224 2.5252 2.6287 2.6470 2.8947 2.9112 2.9157 2.9425 3.1968 3.2184 3.3346 3.3613 3.7806 3.7817 4.0324 4.0925 4.1017 4.1357 4.1408 4.1671 4.2805 4.2858 4.3151 4.3449 4.5101 4.5836 4.6190 4.6455 4.7667 4.7811 4.8089 4.8473 4.9094 4.9471 5.1455 5.2014 5.4459 5.5090 5.5922 5.5938 5.8862 5.9000 8.1853 8.1883 8.2017 8.2537 8.3867 8.3936 8.7408 8.8216 8.8570 8.8583 10.4229 10.4279 11.8375 11.8537 k = 0.3171 0.3171-0.0000 ( 6304 PWs) bands (ev): -48.7714 -48.7714 -26.3909 -26.3909 -24.3089 -24.3089 -24.3072 -24.3072 -6.6649 -6.6641 -6.1932 -6.1854 -6.1676 -6.1624 -6.0501 -6.0385 1.1138 1.1226 1.2416 1.2453 1.7680 1.7723 2.0685 2.0721 2.3688 2.3871 2.4505 2.4511 2.5307 2.5354 2.6436 2.6634 2.8970 2.9201 2.9394 2.9716 3.2075 3.2296 3.3534 3.3809 3.7756 3.7761 4.0273 4.0760 4.0879 4.1379 4.1435 4.1679 4.2831 4.2863 4.3209 4.3493 4.5293 4.5748 4.6078 4.6625 4.7632 4.7695 4.8096 4.8402 4.9175 4.9533 5.1688 5.2220 5.4263 5.4891 5.6087 5.6121 5.8900 5.9045 8.1736 8.1765 8.1921 8.2396 8.3900 8.3972 8.7166 8.7987 8.8368 8.8377 10.3443 10.3491 11.8725 11.8894 k = 0.3049 0.3049-0.0000 ( 6308 PWs) bands (ev): -48.7714 -48.7714 -26.3909 -26.3909 -24.3088 -24.3088 -24.3072 -24.3072 -6.6875 -6.6867 -6.1846 -6.1767 -6.1591 -6.1540 -6.0441 -6.0328 1.0929 1.1014 1.2143 1.2181 1.7968 1.8009 2.0397 2.0425 2.3642 2.3831 2.4478 2.4488 2.5430 2.5485 2.6591 2.6804 2.8996 2.9242 2.9678 3.0010 3.2182 3.2404 3.3710 3.3991 3.7702 3.7703 4.0223 4.0583 4.0738 4.1407 4.1472 4.1691 4.2871 4.2873 4.3277 4.3541 4.5480 4.5649 4.5970 4.6804 4.7576 4.7588 4.8105 4.8336 4.9249 4.9580 5.1937 5.2432 5.4038 5.4663 5.6273 5.6320 5.8965 5.9116 8.1590 8.1683 8.1836 8.2259 8.3929 8.4003 8.6919 8.7747 8.8152 8.8155 10.2645 10.2691 11.9005 11.9175 k = 0.2927 0.2927-0.0000 ( 6310 PWs) bands (ev): -48.7714 -48.7714 -26.3908 -26.3908 -24.3086 -24.3086 -24.3071 -24.3071 -6.7099 -6.7092 -6.1758 -6.1679 -6.1503 -6.1453 -6.0387 -6.0276 1.0714 1.0795 1.1863 1.1901 1.8247 1.8284 2.0130 2.0148 2.3599 2.3791 2.4436 2.4455 2.5587 2.5644 2.6754 2.6980 2.9025 2.9284 2.9964 3.0304 3.2286 3.2511 3.3873 3.4157 3.7643 3.7644 4.0159 4.0399 4.0614 4.1439 4.1518 4.1711 4.2887 4.2923 4.3353 4.3592 4.5548 4.5657 4.5871 4.6978 4.7459 4.7534 4.8115 4.8280 4.9314 4.9611 5.2203 5.2654 5.3792 5.4412 5.6475 5.6531 5.9051 5.9206 8.1449 8.1607 8.1761 8.2127 8.3952 8.4028 8.6668 8.7499 8.7918 8.7921 10.1836 10.1879 11.9217 11.9385 k = 0.2805 0.2805-0.0000 ( 6312 PWs) bands (ev): -48.7714 -48.7714 -26.3907 -26.3907 -24.3085 -24.3085 -24.3071 -24.3071 -6.7320 -6.7314 -6.1667 -6.1588 -6.1414 -6.1365 -6.0338 -6.0229 1.0493 1.0571 1.1577 1.1616 1.8504 1.8531 1.9900 1.9901 2.3557 2.3752 2.4387 2.4410 2.5771 2.5824 2.6922 2.7162 2.9058 2.9327 3.0249 3.0595 3.2389 3.2615 3.4024 3.4308 3.7581 3.7582 4.0061 4.0207 4.0531 4.1475 4.1576 4.1738 4.2906 4.2988 4.3436 4.3646 4.5450 4.5742 4.5862 4.7129 4.7359 4.7466 4.8128 4.8238 4.9368 4.9629 5.2486 5.2885 5.3533 5.4147 5.6690 5.6753 5.9152 5.9310 8.1316 8.1537 8.1694 8.2004 8.3969 8.4046 8.6415 8.7241 8.7667 8.7677 10.1016 10.1057 11.9369 11.9532 k = 0.2683 0.2683-0.0000 ( 6310 PWs) bands (ev): -48.7714 -48.7714 -26.3907 -26.3907 -24.3084 -24.3084 -24.3070 -24.3070 -6.7538 -6.7532 -6.1575 -6.1496 -6.1322 -6.1275 -6.0292 -6.0186 1.0269 1.0343 1.1287 1.1325 1.8703 1.8707 1.9722 1.9750 2.3517 2.3715 2.4333 2.4357 2.5978 2.6023 2.7094 2.7348 2.9093 2.9371 3.0535 3.0884 3.2489 3.2715 3.4160 3.4441 3.7513 3.7519 3.9916 4.0008 4.0503 4.1515 4.1644 4.1773 4.2930 4.3064 4.3525 4.3702 4.5357 4.5661 4.6014 4.7145 4.7385 4.7386 4.8142 4.8210 4.9411 4.9634 5.2784 5.3098 5.3301 5.3877 5.6916 5.6983 5.9262 5.9420 8.1191 8.1472 8.1637 8.1891 8.3976 8.4055 8.6158 8.6977 8.7402 8.7422 10.0188 10.0227 11.9473 11.9627 k = 0.2561 0.2561-0.0000 ( 6298 PWs) bands (ev): -48.7714 -48.7714 -26.3906 -26.3906 -24.3082 -24.3082 -24.3070 -24.3070 -6.7752 -6.7747 -6.1482 -6.1403 -6.1230 -6.1184 -6.0252 -6.0149 1.0042 1.0112 1.0995 1.1033 1.8741 1.8767 1.9684 1.9747 2.3480 2.3679 2.4275 2.4299 2.6201 2.6237 2.7271 2.7537 2.9132 2.9416 3.0820 3.1168 3.2587 3.2812 3.4282 3.4559 3.7439 3.7454 3.9736 3.9803 4.0524 4.1560 4.1724 4.1817 4.2959 4.3150 4.3620 4.3759 4.5270 4.5573 4.6166 4.7043 4.7297 4.7526 4.8159 4.8198 4.9444 4.9628 5.2952 5.3082 5.3442 5.3620 5.7149 5.7220 5.9376 5.9534 8.1076 8.1408 8.1589 8.1793 8.3974 8.4054 8.5900 8.6706 8.7126 8.7157 9.9350 9.9388 11.9537 11.9682 k = 0.2439 0.2439-0.0000 ( 6298 PWs) bands (ev): -48.7714 -48.7714 -26.3905 -26.3905 -24.3081 -24.3081 -24.3069 -24.3069 -6.7961 -6.7956 -6.1388 -6.1310 -6.1137 -6.1093 -6.0215 -6.0117 0.9815 0.9881 1.0701 1.0739 1.8630 1.8668 1.9816 1.9897 2.3445 2.3644 2.4215 2.4236 2.6437 2.6462 2.7451 2.7728 2.9174 2.9462 3.1103 3.1447 3.2683 3.2907 3.4390 3.4659 3.7359 3.7387 3.9534 3.9594 4.0579 4.1607 4.1811 4.1872 4.2992 4.3245 4.3719 4.3816 4.5189 4.5489 4.6303 4.6924 4.7206 4.7673 4.8179 4.8198 4.9465 4.9614 5.2683 5.3195 5.3564 5.3726 5.7386 5.7459 5.9493 5.9647 8.0971 8.1346 8.1549 8.1712 8.3960 8.4042 8.5641 8.6430 8.6842 8.6883 9.8506 9.8542 11.9574 11.9707 k = 0.2317 0.2317-0.0000 ( 6304 PWs) bands (ev): -48.7714 -48.7714 -26.3905 -26.3905 -24.3079 -24.3079 -24.3069 -24.3069 -6.8164 -6.8160 -6.1294 -6.1217 -6.1043 -6.1002 -6.0183 -6.0088 0.9589 0.9650 1.0409 1.0446 1.8445 1.8482 2.0040 2.0125 2.3411 2.3610 2.4152 2.4170 2.6683 2.6696 2.7632 2.7919 2.9217 2.9508 3.1383 3.1720 3.2777 3.2998 3.4483 3.4743 3.7273 3.7316 3.9319 3.9380 4.0663 4.1659 4.1889 4.1956 4.3028 4.3346 4.3821 4.3873 4.5116 4.5409 4.6416 4.6802 4.7126 4.7811 4.8204 4.8208 4.9478 4.9593 5.2410 5.2968 5.3865 5.4036 5.7624 5.7699 5.9607 5.9756 8.0877 8.1282 8.1518 8.1650 8.3933 8.4017 8.5382 8.6150 8.6549 8.6604 9.7655 9.7691 11.9593 11.9713 k = 0.2195 0.2195-0.0000 ( 6308 PWs) bands (ev): -48.7714 -48.7714 -26.3904 -26.3904 -24.3078 -24.3078 -24.3068 -24.3068 -6.8361 -6.8358 -6.1200 -6.1124 -6.0950 -6.0912 -6.0154 -6.0064 0.9364 0.9422 1.0119 1.0156 1.8236 1.8269 2.0296 2.0381 2.3380 2.3577 2.4088 2.4102 2.6934 2.6936 2.7815 2.8111 2.9263 2.9554 3.1659 3.1985 3.2870 3.3088 3.4562 3.4811 3.7182 3.7243 3.9096 3.9161 4.0771 4.1715 4.1954 4.2073 4.3070 4.3453 4.3925 4.3928 4.5052 4.5334 4.6484 4.6682 4.7080 4.7931 4.8227 4.8242 4.9483 4.9571 5.2141 5.2697 5.4230 5.4368 5.7860 5.7938 5.9718 5.9859 8.0795 8.1219 8.1495 8.1607 8.3893 8.3978 8.5125 8.5869 8.6253 8.6321 9.6799 9.6835 11.9602 11.9708 k = 0.2073 0.2073-0.0000 ( 6322 PWs) bands (ev): -48.7715 -48.7715 -26.3904 -26.3904 -24.3077 -24.3077 -24.3068 -24.3068 -6.8551 -6.8548 -6.1108 -6.1034 -6.0858 -6.0822 -6.0128 -6.0043 0.9144 0.9198 0.9834 0.9869 1.8022 1.8051 2.0561 2.0645 2.3351 2.3546 2.4024 2.4033 2.7179 2.7188 2.7997 2.8300 2.9311 2.9600 3.1929 3.2242 3.2962 3.3175 3.4629 3.4865 3.7085 3.7165 3.8866 3.8940 4.0899 4.1776 4.2016 4.2209 4.3115 4.3561 4.3981 4.4029 4.5000 4.5265 4.6486 4.6564 4.7090 4.8021 4.8253 4.8301 4.9482 4.9548 5.1877 5.2423 5.4617 5.4719 5.8092 5.8173 5.9824 5.9956 8.0726 8.1158 8.1480 8.1580 8.3839 8.3926 8.4870 8.5587 8.5953 8.6036 9.5939 9.5975 11.9608 11.9702 k = 0.1951 0.1951-0.0000 ( 6320 PWs) bands (ev): -48.7715 -48.7715 -26.3903 -26.3903 -24.3075 -24.3075 -24.3067 -24.3067 -6.8734 -6.8731 -6.1017 -6.0945 -6.0767 -6.0734 -6.0105 -6.0025 0.8929 0.8979 0.9555 0.9589 1.7811 1.7836 2.0825 2.0908 2.3324 2.3516 2.3959 2.3964 2.7423 2.7442 2.8178 2.8485 2.9361 2.9645 3.2193 3.2489 3.3054 3.3261 3.4683 3.4906 3.6982 3.7083 3.8632 3.8717 4.1045 4.1842 4.2080 4.2359 4.3164 4.3666 4.4033 4.4132 4.4960 4.5202 4.6428 4.6448 4.7157 4.8076 4.8283 4.8389 4.9477 4.9527 5.1623 5.2152 5.5020 5.5089 5.8318 5.8402 5.9922 6.0044 8.0670 8.1102 8.1472 8.1568 8.3770 8.3859 8.4619 8.5308 8.5653 8.5752 9.5078 9.5113 11.9617 11.9699 k = 0.1829 0.1829-0.0000 ( 6318 PWs) bands (ev): -48.7715 -48.7715 -26.3902 -26.3902 -24.3074 -24.3074 -24.3067 -24.3067 -6.8908 -6.8906 -6.0928 -6.0860 -6.0679 -6.0648 -6.0084 -6.0011 0.8721 0.8766 0.9283 0.9316 1.7607 1.7628 2.1083 2.1166 2.3298 2.3487 2.3895 2.3896 2.7665 2.7693 2.8357 2.8666 2.9412 2.9689 3.2449 3.2726 3.3147 3.3347 3.4727 3.4936 3.6876 3.6997 3.8396 3.8492 4.1205 4.1914 4.2147 4.2519 4.3217 4.3761 4.4087 4.4233 4.4936 4.5145 4.6333 4.6336 4.7257 4.8103 4.8318 4.8497 4.9471 4.9509 5.1379 5.1888 5.5435 5.5475 5.8535 5.8623 6.0014 6.0123 8.0628 8.1055 8.1470 8.1566 8.3686 8.3778 8.4375 8.5033 8.5356 8.5472 9.4216 9.4252 11.9633 11.9704 k = 0.1707 0.1707-0.0000 ( 6316 PWs) bands (ev): -48.7715 -48.7715 -26.3902 -26.3902 -24.3073 -24.3073 -24.3066 -24.3066 -6.9074 -6.9072 -6.0842 -6.0777 -6.0593 -6.0565 -6.0066 -5.9999 0.8520 0.8562 0.9021 0.9052 1.7412 1.7429 2.1333 2.1414 2.3275 2.3460 2.3828 2.3834 2.7903 2.7940 2.8532 2.8839 2.9464 2.9731 3.2697 3.2952 3.3242 3.3434 3.4761 3.4956 3.6767 3.6906 3.8159 3.8265 4.1376 4.1992 4.2215 4.2686 4.3273 4.3834 4.4150 4.4328 4.4928 4.5095 4.6221 4.6227 4.7371 4.8114 4.8356 4.8612 4.9465 4.9497 5.1146 5.1631 5.5860 5.5874 5.8741 5.8835 6.0099 6.0194 8.0601 8.1019 8.1475 8.1574 8.3588 8.3682 8.4139 8.4764 8.5063 8.5197 9.3357 9.3394 11.9660 11.9721 k = 0.1585 0.1585-0.0000 ( 6312 PWs) bands (ev): -48.7715 -48.7715 -26.3901 -26.3901 -24.3071 -24.3071 -24.3066 -24.3066 -6.9230 -6.9229 -6.0760 -6.0699 -6.0509 -6.0485 -6.0049 -5.9989 0.8329 0.8367 0.8770 0.8799 1.7227 1.7241 2.1572 2.1651 2.3253 2.3433 2.3763 2.3774 2.8135 2.8180 2.8702 2.9005 2.9518 2.9772 3.2933 3.3165 3.3339 3.3522 3.4787 3.4967 3.6654 3.6811 3.7922 3.8039 4.1553 4.2077 4.2284 4.2856 4.3332 4.3876 4.4230 4.4417 4.4935 4.5053 4.6102 4.6122 4.7489 4.8116 4.8399 4.8729 4.9460 4.9490 5.0926 5.1384 5.6284 5.6291 5.8935 5.9034 6.0177 6.0256 8.0590 8.0996 8.1484 8.1589 8.3475 8.3573 8.3913 8.4503 8.4777 8.4929 9.2504 9.2541 11.9699 11.9751 k = 0.1463 0.1463-0.0000 ( 6302 PWs) bands (ev): -48.7714 -48.7714 -26.3900 -26.3900 -24.3070 -24.3070 -24.3065 -24.3065 -6.9377 -6.9376 -6.0681 -6.0626 -6.0430 -6.0408 -6.0034 -5.9980 0.8148 0.8182 0.8531 0.8559 1.7054 1.7065 2.1799 2.1875 2.3233 2.3407 2.3702 2.3718 2.8359 2.8410 2.8868 2.9160 2.9574 2.9812 3.3159 3.3365 3.3442 3.3614 3.4806 3.4971 3.6541 3.6711 3.7687 3.7813 4.1732 4.2171 4.2353 4.3025 4.3394 4.3890 4.4324 4.4497 4.4956 4.5020 4.5982 4.6020 4.7606 4.8111 4.8446 4.8844 4.9459 4.9489 5.0720 5.1146 5.6701 5.6725 5.9114 5.9219 6.0248 6.0311 8.0596 8.0987 8.1499 8.1610 8.3350 8.3451 8.3700 8.4254 8.4500 8.4671 9.1659 9.1696 11.9752 11.9797 k = 0.1341 0.1341-0.0000 ( 6306 PWs) bands (ev): -48.7714 -48.7714 -26.3900 -26.3900 -24.3069 -24.3069 -24.3065 -24.3065 -6.9513 -6.9512 -6.0607 -6.0558 -6.0354 -6.0335 -6.0020 -5.9974 0.7977 0.8009 0.8305 0.8331 1.6892 1.6901 2.2011 2.2084 2.3215 2.3381 2.3645 2.3665 2.8573 2.8629 2.9027 2.9304 2.9631 2.9849 3.3372 3.3549 3.3550 3.3712 3.4819 3.4970 3.6426 3.6607 3.7453 3.7587 4.1908 4.2275 4.2423 4.3189 4.3458 4.3882 4.4424 4.4565 4.4988 4.4995 4.5862 4.5920 4.7715 4.8101 4.8500 4.8956 4.9461 4.9494 5.0530 5.0920 5.7120 5.7158 5.9277 5.9389 6.0314 6.0360 8.0620 8.0995 8.1518 8.1636 8.3214 8.3316 8.3503 8.4017 8.4234 8.4424 9.0828 9.0865 11.9818 11.9856 k = 0.1220 0.1220-0.0000 ( 6310 PWs) bands (ev): -48.7715 -48.7715 -26.3899 -26.3899 -24.3068 -24.3068 -24.3065 -24.3065 -6.9640 -6.9639 -6.0539 -6.0496 -6.0283 -6.0266 -6.0006 -5.9968 0.7819 0.7847 0.8095 0.8119 1.6742 1.6749 2.2208 2.2277 2.3198 2.3355 2.3594 2.3617 2.8774 2.8833 2.9179 2.9434 2.9691 2.9883 3.3567 3.3669 3.3711 3.3824 3.4828 3.4964 3.6311 3.6500 3.7223 3.7363 4.2075 4.2390 4.2491 4.3342 4.3525 4.3862 4.4523 4.4622 4.4981 4.5027 4.5746 4.5824 4.7810 4.8087 4.8566 4.9064 4.9467 4.9504 5.0356 5.0707 5.7537 5.7584 5.9423 5.9540 6.0375 6.0404 8.0664 8.1021 8.1541 8.1664 8.3069 8.3170 8.3326 8.3795 8.3980 8.4189 9.0015 9.0050 11.9897 11.9929 k = 0.1098 0.1098-0.0000 ( 6310 PWs) bands (ev): -48.7715 -48.7715 -26.3899 -26.3899 -24.3067 -24.3067 -24.3064 -24.3064 -6.9755 -6.9754 -6.0476 -6.0440 -6.0218 -6.0203 -5.9993 -5.9962 0.7674 0.7698 0.7900 0.7922 1.6606 1.6611 2.2388 2.2452 2.3182 2.3329 2.3549 2.3574 2.8960 2.9021 2.9323 2.9550 2.9753 2.9915 3.3733 3.3812 3.3846 3.3955 3.4833 3.4954 3.6197 3.6390 3.6997 3.7141 4.2228 4.2520 4.2558 4.3478 4.3595 4.3833 4.4617 4.4667 4.4976 4.5070 4.5635 4.5731 4.7885 4.8070 4.8646 4.9167 4.9478 4.9518 5.0199 5.0509 5.7945 5.7998 5.9550 5.9672 6.0434 6.0447 8.0728 8.1067 8.1568 8.1695 8.2918 8.3017 8.3169 8.3589 8.3742 8.3969 8.9224 8.9258 11.9986 12.0015 k = 0.0976 0.0976-0.0000 ( 6303 PWs) bands (ev): -48.7714 -48.7714 -26.3899 -26.3899 -24.3066 -24.3066 -24.3064 -24.3064 -6.9859 -6.9858 -6.0420 -6.0391 -6.0157 -6.0145 -5.9980 -5.9957 0.7542 0.7564 0.7723 0.7743 1.6483 1.6486 2.2551 2.2610 2.3167 2.3302 2.3513 2.3537 2.9128 2.9188 2.9460 2.9653 2.9818 2.9945 3.3870 3.3963 3.3976 3.4095 3.4836 3.4943 3.6085 3.6279 3.6776 3.6923 4.2366 4.2623 4.2663 4.3586 4.3673 4.3801 4.4704 4.4705 4.4976 4.5115 4.5535 4.5640 4.7937 4.8052 4.8743 4.9263 4.9493 4.9534 5.0061 5.0327 5.8338 5.8394 5.9659 5.9782 6.0491 6.0492 8.0814 8.1133 8.1599 8.1727 8.2765 8.2864 8.3029 8.3402 8.3520 8.3763 8.8462 8.8493 12.0085 12.0109 k = 0.0854 0.0854-0.0000 ( 6309 PWs) bands (ev): -48.7715 -48.7715 -26.3898 -26.3898 -24.3066 -24.3066 -24.3064 -24.3064 -6.9951 -6.9951 -6.0370 -6.0348 -6.0103 -6.0092 -5.9968 -5.9952 0.7424 0.7443 0.7565 0.7583 1.6373 1.6376 2.2694 2.2747 2.3154 2.3274 2.3485 2.3507 2.9277 2.9332 2.9588 2.9744 2.9883 2.9973 3.4002 3.4076 3.4141 3.4233 3.4838 3.4931 3.5976 3.6165 3.6562 3.6708 4.2489 4.2685 4.2812 4.3661 4.3756 4.3768 4.4740 4.4782 4.4975 4.5156 4.5448 4.5551 4.7967 4.8033 4.8852 4.9350 4.9509 4.9550 4.9944 5.0163 5.8708 5.8763 5.9750 5.9870 6.0539 6.0549 8.0922 8.1221 8.1634 8.1758 8.2614 8.2717 8.2905 8.3233 8.3316 8.3572 8.7735 8.7763 12.0188 12.0209 k = 0.0732 0.0732-0.0000 ( 6323 PWs) bands (ev): -48.7716 -48.7716 -26.3898 -26.3898 -24.3065 -24.3065 -24.3064 -24.3064 -7.0032 -7.0032 -6.0328 -6.0313 -6.0055 -6.0046 -5.9956 -5.9946 0.7321 0.7337 0.7426 0.7441 1.6277 1.6279 2.2817 2.2862 2.3143 2.3246 2.3466 2.3484 2.9405 2.9450 2.9707 2.9828 2.9944 2.9999 3.4136 3.4191 3.4297 3.4363 3.4839 3.4919 3.5871 3.6052 3.6354 3.6498 4.2601 4.2743 4.2963 4.3713 4.3736 4.3827 4.4778 4.4850 4.4968 4.5193 4.5381 4.5465 4.7978 4.8013 4.8970 4.9428 4.9524 4.9565 4.9847 5.0019 5.9046 5.9096 5.9823 5.9936 6.0592 6.0607 8.1052 8.1329 8.1673 8.1787 8.2468 8.2582 8.2798 8.3085 8.3132 8.3397 8.7050 8.7074 12.0293 12.0311 k = 0.0610 0.0610-0.0000 ( 6321 PWs) bands (ev): -48.7715 -48.7715 -26.3898 -26.3898 -24.3064 -24.3064 -24.3064 -24.3064 -7.0100 -7.0100 -6.0293 -6.0283 -6.0014 -6.0007 -5.9944 -5.9940 0.7234 0.7247 0.7307 0.7320 1.6196 1.6197 2.2918 2.2956 2.3133 2.3218 2.3457 2.3469 2.9510 2.9543 2.9814 2.9906 2.9998 3.0023 3.4271 3.4308 3.4443 3.4483 3.4841 3.4908 3.5771 3.5939 3.6155 3.6294 4.2701 4.2798 4.3110 4.3709 4.3749 4.3876 4.4820 4.4908 4.4953 4.5223 4.5336 4.5383 4.7977 4.7993 4.9088 4.9493 4.9535 4.9577 4.9775 4.9897 5.9343 5.9386 5.9882 5.9982 6.0652 6.0667 8.1202 8.1455 8.1716 8.1814 8.2332 8.2460 8.2713 8.2960 8.2972 8.3237 8.6417 8.6434 12.0395 12.0410 k = 0.0488 0.0488-0.0000 ( 6313 PWs) bands (ev): -48.7715 -48.7715 -26.3897 -26.3897 -24.3064 -24.3064 -24.3063 -24.3063 -7.0157 -7.0157 -6.0266 -6.0260 -5.9980 -5.9974 -5.9934 -5.9934 0.7162 0.7172 0.7209 0.7219 1.6129 1.6129 2.2998 2.3028 2.3126 2.3194 2.3455 2.3463 2.9592 2.9613 2.9909 2.9977 3.0042 3.0046 3.4405 3.4426 3.4577 3.4593 3.4845 3.4901 3.5679 3.5830 3.5968 3.6097 4.2789 4.2846 4.3251 4.3689 4.3769 4.3899 4.4866 4.4937 4.4954 4.5236 4.5310 4.5312 4.7968 4.7975 4.9200 4.9536 4.9542 4.9583 4.9729 4.9800 5.9591 5.9625 5.9928 6.0011 6.0718 6.0728 8.1366 8.1588 8.1766 8.1841 8.2211 8.2352 8.2652 8.2840 8.2859 8.3094 8.5844 8.5856 12.0488 12.0500 k = 0.0366 0.0366-0.0000 ( 6323 PWs) bands (ev): -48.7716 -48.7716 -26.3897 -26.3897 -24.3064 -24.3064 -24.3063 -24.3063 -7.0201 -7.0201 -6.0245 -6.0243 -5.9953 -5.9948 -5.9927 -5.9926 0.7105 0.7113 0.7132 0.7140 1.6077 1.6077 2.3056 2.3078 2.3121 2.3171 2.3459 2.3463 2.9653 2.9663 2.9987 3.0035 3.0067 3.0075 3.4529 3.4538 3.4694 3.4700 3.4855 3.4899 3.5599 3.5726 3.5796 3.5911 4.2861 4.2889 4.3383 4.3679 4.3772 4.3892 4.4909 4.4931 4.4987 4.5200 4.5286 4.5298 4.7956 4.7959 4.9303 4.9527 4.9569 4.9579 4.9708 4.9736 5.9783 5.9807 5.9963 6.0027 6.0782 6.0788 8.1534 8.1704 8.1821 8.1884 8.2109 8.2256 8.2617 8.2741 8.2784 8.2967 8.5347 8.5354 12.0567 12.0576 k = 0.0244 0.0244-0.0000 ( 6323 PWs) bands (ev): -48.7716 -48.7716 -26.3897 -26.3897 -24.3063 -24.3063 -24.3063 -24.3063 -7.0232 -7.0232 -6.0232 -6.0231 -5.9933 -5.9930 -5.9922 -5.9920 0.7066 0.7071 0.7078 0.7083 1.6039 1.6039 2.3095 2.3109 2.3120 2.3152 2.3466 2.3467 2.9695 2.9698 3.0047 3.0078 3.0085 3.0097 3.4628 3.4631 3.4785 3.4808 3.4872 3.4904 3.5537 3.5633 3.5648 3.5742 4.2913 4.2922 4.3506 4.3681 4.3761 4.3858 4.4935 4.4957 4.5009 4.5133 4.5288 4.5293 4.7946 4.7946 4.9391 4.9516 4.9559 4.9573 4.9702 4.9708 5.9917 5.9932 5.9990 6.0033 6.0839 6.0841 8.1684 8.1767 8.1885 8.1956 8.2036 8.2171 8.2609 8.2685 8.2734 8.2856 8.4948 8.4950 12.0628 12.0635 k = 0.0122 0.0122-0.0000 ( 6351 PWs) bands (ev): -48.7717 -48.7717 -26.3897 -26.3897 -24.3063 -24.3063 -24.3063 -24.3063 -7.0251 -7.0251 -6.0224 -6.0224 -5.9921 -5.9919 -5.9918 -5.9917 0.7042 0.7045 0.7045 0.7048 1.6016 1.6016 2.3116 2.3121 2.3123 2.3137 2.3471 2.3471 2.9718 2.9718 3.0087 3.0099 3.0102 3.0107 3.4688 3.4688 3.4866 3.4889 3.4897 3.4915 3.5504 3.5546 3.5558 3.5602 4.2944 4.2945 4.3616 4.3692 4.3739 4.3796 4.4964 4.4989 4.5016 4.5067 4.5291 4.5292 4.7938 4.7938 4.9463 4.9511 4.9535 4.9554 4.9703 4.9703 5.9995 6.0002 6.0010 6.0032 6.0878 6.0878 8.1778 8.1793 8.1956 8.2006 8.2016 8.2092 8.2631 8.2672 8.2704 8.2761 8.4680 8.4680 12.0668 12.0673 k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -48.7717 -48.7717 -26.3897 -26.3897 -24.3063 -24.3063 -24.3063 -24.3063 -7.0258 -7.0258 -6.0221 -6.0221 -5.9916 -5.9916 -5.9916 -5.9916 0.7035 0.7035 0.7035 0.7035 1.6009 1.6009 2.3126 2.3126 2.3126 2.3126 2.3473 2.3473 2.9725 2.9725 3.0106 3.0106 3.0106 3.0106 3.4706 3.4706 3.4913 3.4913 3.4913 3.4913 3.5519 3.5519 3.5519 3.5519 4.2954 4.2954 4.3714 4.3714 4.3714 4.3714 4.5009 4.5009 4.5009 4.5009 4.5292 4.5292 4.7935 4.7935 4.9517 4.9517 4.9517 4.9517 4.9704 4.9704 6.0023 6.0023 6.0023 6.0023 6.0892 6.0892 8.1803 8.1803 8.2022 8.2022 8.2022 8.2022 8.2685 8.2685 8.2685 8.2685 8.4583 8.4583 12.0681 12.0681 k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -48.7717 -48.7717 -26.3897 -26.3897 -24.3063 -24.3063 -24.3063 -24.3063 -7.0258 -7.0258 -6.0221 -6.0221 -5.9916 -5.9916 -5.9916 -5.9916 0.7035 0.7035 0.7035 0.7035 1.6009 1.6009 2.3126 2.3126 2.3126 2.3126 2.3473 2.3473 2.9725 2.9725 3.0106 3.0106 3.0106 3.0106 3.4706 3.4706 3.4913 3.4913 3.4913 3.4913 3.5519 3.5519 3.5519 3.5519 4.2954 4.2954 4.3714 4.3714 4.3714 4.3714 4.5009 4.5009 4.5009 4.5009 4.5292 4.5292 4.7935 4.7935 4.9517 4.9517 4.9517 4.9517 4.9704 4.9704 6.0023 6.0023 6.0023 6.0023 6.0892 6.0892 8.1803 8.1803 8.2022 8.2022 8.2022 8.2022 8.2685 8.2685 8.2685 8.2685 8.4583 8.4583 12.0681 12.0681 k = 0.0100 0.0100 0.0100 ( 6352 PWs) bands (ev): -48.7717 -48.7717 -26.3897 -26.3897 -24.3063 -24.3063 -24.3063 -24.3063 -7.0251 -7.0251 -6.0224 -6.0224 -5.9920 -5.9919 -5.9919 -5.9918 0.7043 0.7045 0.7045 0.7047 1.6016 1.6016 2.3118 2.3121 2.3121 2.3137 2.3471 2.3471 2.9718 2.9718 3.0087 3.0101 3.0101 3.0106 3.4688 3.4688 3.4868 3.4897 3.4897 3.4901 3.5510 3.5551 3.5551 3.5600 4.2945 4.2945 4.3612 4.3716 4.3716 4.3798 4.4963 4.5001 4.5001 4.5070 4.5291 4.5291 4.7938 4.7938 4.9460 4.9524 4.9524 4.9555 4.9703 4.9703 5.9998 5.9998 6.0010 6.0033 6.0878 6.0878 8.1786 8.1786 8.1959 8.2007 8.2007 8.2094 8.2629 8.2688 8.2688 8.2765 8.4681 8.4681 12.0678 12.0680 k = 0.0200 0.0200 0.0200 ( 6322 PWs) bands (ev): -48.7716 -48.7716 -26.3897 -26.3897 -24.3063 -24.3063 -24.3063 -24.3063 -7.0232 -7.0232 -6.0231 -6.0231 -5.9929 -5.9926 -5.9926 -5.9925 0.7071 0.7074 0.7074 0.7079 1.6039 1.6039 2.3104 2.3104 2.3116 2.3153 2.3466 2.3466 2.9696 2.9696 3.0048 3.0086 3.0086 3.0086 3.4638 3.4638 3.4791 3.4832 3.4857 3.4857 3.5575 3.5638 3.5638 3.5727 4.2918 4.2918 4.3497 4.3723 4.3723 4.3861 4.4938 4.4978 4.4978 4.5141 4.5290 4.5290 4.7946 4.7946 4.9383 4.9541 4.9541 4.9573 4.9706 4.9706 5.9918 5.9918 5.9993 6.0039 6.0840 6.0840 8.1730 8.1730 8.1908 8.1977 8.1977 8.2165 8.2607 8.2710 8.2710 8.2868 8.4952 8.4952 12.0670 12.0675 k = 0.0300 0.0300 0.0300 ( 6319 PWs) bands (ev): -48.7715 -48.7715 -26.3897 -26.3897 -24.3063 -24.3063 -24.3063 -24.3063 -7.0200 -7.0200 -6.0244 -6.0244 -5.9943 -5.9938 -5.9938 -5.9937 0.7118 0.7123 0.7123 0.7130 1.6077 1.6077 2.3072 2.3072 2.3115 2.3170 2.3459 2.3459 2.9660 2.9660 2.9990 3.0045 3.0061 3.0061 3.4563 3.4563 3.4703 3.4731 3.4804 3.4804 3.5686 3.5758 3.5758 3.5878 4.2875 4.2875 4.3370 4.3730 4.3730 4.3894 4.4937 4.4940 4.4940 4.5219 4.5288 4.5288 4.7958 4.7958 4.9289 4.9553 4.9553 4.9572 4.9728 4.9728 5.9779 5.9779 5.9970 6.0040 6.0787 6.0787 8.1632 8.1632 8.1870 8.1953 8.1953 8.2220 8.2635 8.2767 8.2767 8.2990 8.5356 8.5356 12.0652 12.0664 k = 0.0400 0.0400 0.0400 ( 6325 PWs) bands (ev): -48.7716 -48.7716 -26.3897 -26.3897 -24.3064 -24.3064 -24.3064 -24.3064 -7.0156 -7.0156 -6.0261 -6.0261 -5.9963 -5.9955 -5.9955 -5.9954 0.7184 0.7191 0.7191 0.7201 1.6130 1.6130 2.3022 2.3022 2.3117 2.3190 2.3454 2.3454 2.9608 2.9608 2.9915 2.9985 3.0027 3.0027 3.4473 3.4473 3.4613 3.4619 3.4743 3.4743 3.5823 3.5897 3.5897 3.6042 4.2819 4.2819 4.3233 4.3735 4.3735 4.3896 4.4889 4.4889 4.4963 4.5284 4.5284 4.5301 4.7972 4.7972 4.9177 4.9547 4.9547 4.9554 4.9786 4.9786 5.9574 5.9574 5.9944 6.0036 6.0729 6.0729 8.1512 8.1512 8.1842 8.1941 8.1941 8.2245 8.2722 8.2862 8.2862 8.3132 8.5859 8.5859 12.0635 12.0655 k = 0.0500 0.0500 0.0500 ( 6319 PWs) bands (ev): -48.7715 -48.7715 -26.3898 -26.3898 -24.3064 -24.3064 -24.3064 -24.3064 -7.0099 -7.0099 -6.0283 -6.0283 -5.9988 -5.9977 -5.9977 -5.9977 0.7269 0.7278 0.7278 0.7290 1.6197 1.6197 2.2952 2.2952 2.3123 2.3214 2.3453 2.3453 2.9541 2.9541 2.9822 2.9905 2.9986 2.9986 3.4378 3.4378 3.4506 3.4526 3.4670 3.4670 3.5977 3.6050 3.6050 3.6216 4.2752 4.2752 4.3090 4.3737 4.3737 4.3872 4.4829 4.4829 4.5014 4.5280 4.5280 4.5386 4.7986 4.7986 4.9052 4.9521 4.9523 4.9523 4.9880 4.9880 5.9306 5.9306 5.9912 6.0028 6.0671 6.0671 8.1392 8.1392 8.1824 8.1937 8.1937 8.2249 8.2860 8.2992 8.2992 8.3294 8.6436 8.6436 12.0611 12.0646 k = 0.0600 0.0600 0.0600 ( 6313 PWs) bands (ev): -48.7715 -48.7715 -26.3898 -26.3898 -24.3064 -24.3064 -24.3064 -24.3064 -7.0030 -7.0030 -6.0310 -6.0310 -6.0017 -6.0004 -6.0003 -6.0003 0.7373 0.7383 0.7383 0.7398 1.6279 1.6279 2.2861 2.2861 2.3132 2.3241 2.3458 2.3458 2.9458 2.9458 2.9713 2.9807 2.9938 2.9938 3.4281 3.4281 3.4396 3.4443 3.4585 3.4585 3.6143 3.6210 3.6210 3.6394 4.2676 4.2676 4.2941 4.3732 4.3732 4.3825 4.4758 4.4758 4.5083 4.5276 4.5276 4.5471 4.7998 4.7998 4.8916 4.9477 4.9490 4.9490 5.0004 5.0004 5.8978 5.8978 5.9875 6.0013 6.0614 6.0614 8.1285 8.1285 8.1815 8.1939 8.1939 8.2244 8.3034 8.3151 8.3151 8.3475 8.7071 8.7071 12.0589 12.0606 k = 0.0700 0.0700 0.0700 ( 6301 PWs) bands (ev): -48.7714 -48.7714 -26.3898 -26.3898 -24.3065 -24.3065 -24.3065 -24.3065 -6.9948 -6.9948 -6.0342 -6.0342 -6.0051 -6.0037 -6.0034 -6.0034 0.7494 0.7505 0.7505 0.7524 1.6375 1.6375 2.2749 2.2749 2.3144 2.3271 2.3469 2.3469 2.9359 2.9359 2.9589 2.9690 2.9885 2.9885 3.4186 3.4186 3.4291 3.4364 3.4485 3.4485 3.6319 3.6377 3.6377 3.6577 4.2592 4.2592 4.2787 4.3719 4.3719 4.3762 4.4681 4.4681 4.5165 4.5273 4.5273 4.5556 4.8008 4.8008 4.8773 4.9424 4.9454 4.9454 5.0155 5.0155 5.8600 5.8600 5.9832 5.9992 6.0558 6.0558 8.1200 8.1200 8.1811 8.1944 8.1944 8.2237 8.3234 8.3336 8.3336 8.3675 8.7753 8.7753 12.0564 12.0585 k = 0.0800 0.0800 0.0800 ( 6313 PWs) bands (ev): -48.7715 -48.7715 -26.3899 -26.3899 -24.3065 -24.3065 -24.3065 -24.3065 -6.9855 -6.9855 -6.0378 -6.0378 -6.0091 -6.0074 -6.0069 -6.0069 0.7633 0.7645 0.7645 0.7667 1.6484 1.6484 2.2617 2.2617 2.3160 2.3303 2.3484 2.3484 2.9244 2.9244 2.9451 2.9557 2.9826 2.9826 3.4093 3.4093 3.4191 3.4289 3.4372 3.4372 3.6501 3.6546 3.6546 3.6761 4.2502 4.2502 4.2629 4.3687 4.3696 4.3696 4.4598 4.4598 4.5255 4.5270 4.5270 4.5638 4.8013 4.8013 4.8625 4.9364 4.9418 4.9418 5.0331 5.0331 5.8180 5.8180 5.9782 5.9964 6.0499 6.0499 8.1138 8.1138 8.1813 8.1952 8.1952 8.2231 8.3456 8.3544 8.3544 8.3892 8.8471 8.8471 12.0535 12.0546 k = 0.0900 0.0900 0.0900 ( 6307 PWs) bands (ev): -48.7715 -48.7715 -26.3899 -26.3899 -24.3066 -24.3066 -24.3066 -24.3066 -6.9750 -6.9750 -6.0418 -6.0418 -6.0134 -6.0115 -6.0108 -6.0108 0.7788 0.7800 0.7800 0.7827 1.6606 1.6606 2.2465 2.2465 2.3179 2.3339 2.3504 2.3504 2.9115 2.9115 2.9300 2.9408 2.9764 2.9764 3.4001 3.4001 3.4097 3.4218 3.4245 3.4245 3.6690 3.6718 3.6718 3.6947 4.2408 4.2408 4.2469 4.3605 4.3662 4.3662 4.4512 4.4512 4.5269 4.5269 4.5349 4.5719 4.8016 4.8016 4.8478 4.9301 4.9384 4.9384 5.0530 5.0530 5.7727 5.7727 5.9726 5.9928 6.0437 6.0437 8.1101 8.1101 8.1818 8.1963 8.1963 8.2226 8.3694 8.3772 8.3772 8.4124 8.9216 8.9216 12.0501 12.0509 k = 0.1000 0.1000 0.1000 ( 6313 PWs) bands (ev): -48.7715 -48.7715 -26.3900 -26.3900 -24.3067 -24.3067 -24.3067 -24.3067 -6.9633 -6.9633 -6.0462 -6.0462 -6.0182 -6.0161 -6.0150 -6.0150 0.7958 0.7971 0.7971 0.8001 1.6740 1.6740 2.2294 2.2294 2.3202 2.3377 2.3528 2.3528 2.8973 2.8973 2.9138 2.9245 2.9698 2.9698 3.3909 3.3909 3.4007 3.4107 3.4107 3.4150 3.6885 3.6891 3.6891 3.7132 4.2306 4.2311 4.2311 4.3519 4.3617 4.3617 4.4425 4.4425 4.5271 4.5271 4.5443 4.5796 4.8015 4.8015 4.8334 4.9239 4.9353 4.9353 5.0750 5.0750 5.7248 5.7248 5.9662 5.9884 6.0370 6.0370 8.1089 8.1089 8.1825 8.1975 8.1975 8.2223 8.3946 8.4017 8.4017 8.4371 8.9980 8.9980 12.0461 12.0470 k = 0.1100 0.1100 0.1100 ( 6298 PWs) bands (ev): -48.7714 -48.7714 -26.3900 -26.3900 -24.3067 -24.3067 -24.3067 -24.3067 -6.9506 -6.9506 -6.0510 -6.0510 -6.0233 -6.0211 -6.0196 -6.0196 0.8142 0.8156 0.8156 0.8191 1.6886 1.6886 2.2105 2.2105 2.3228 2.3418 2.3556 2.3556 2.8819 2.8819 2.8966 2.9069 2.9629 2.9629 3.3807 3.3807 3.3922 3.3967 3.3967 3.4084 3.7062 3.7062 3.7083 3.7315 4.2144 4.2213 4.2213 4.3431 4.3561 4.3561 4.4340 4.4340 4.5274 4.5274 4.5534 4.5869 4.8013 4.8013 4.8199 4.9180 4.9326 4.9326 5.0991 5.0991 5.6751 5.6751 5.9591 5.9833 6.0298 6.0298 8.1100 8.1100 8.1833 8.1989 8.1989 8.2222 8.4211 8.4277 8.4277 8.4630 9.0754 9.0754 12.0412 12.0418 k = 0.1200 0.1200 0.1200 ( 6313 PWs) bands (ev): -48.7715 -48.7715 -26.3901 -26.3901 -24.3068 -24.3068 -24.3068 -24.3068 -6.9368 -6.9368 -6.0562 -6.0562 -6.0288 -6.0265 -6.0246 -6.0246 0.8340 0.8353 0.8353 0.8393 1.7042 1.7042 2.1898 2.1898 2.3257 2.3462 2.3587 2.3587 2.8654 2.8654 2.8785 2.8883 2.9556 2.9556 3.3676 3.3676 3.3840 3.3841 3.3841 3.4019 3.7232 3.7232 3.7284 3.7496 4.1983 4.2115 4.2115 4.3342 4.3493 4.3493 4.4258 4.4258 4.5279 4.5279 4.5621 4.5937 4.8010 4.8010 4.8076 4.9127 4.9302 4.9302 5.1250 5.1250 5.6241 5.6241 5.9512 5.9772 6.0220 6.0220 8.1135 8.1135 8.1840 8.2006 8.2006 8.2222 8.4485 8.4548 8.4548 8.4899 9.1531 9.1531 12.0350 12.0357 k = 0.1300 0.1300 0.1300 ( 6319 PWs) bands (ev): -48.7715 -48.7715 -26.3901 -26.3901 -24.3069 -24.3069 -24.3069 -24.3069 -6.9219 -6.9219 -6.0617 -6.0617 -6.0347 -6.0322 -6.0298 -6.0298 0.8549 0.8563 0.8563 0.8607 1.7208 1.7208 2.1675 2.1675 2.3290 2.3507 2.3621 2.3621 2.8481 2.8481 2.8598 2.8688 2.9479 2.9479 3.3506 3.3506 3.3742 3.3742 3.3761 3.3955 3.7398 3.7398 3.7486 3.7674 4.1825 4.2018 4.2018 4.3256 4.3416 4.3416 4.4182 4.4182 4.5286 4.5286 4.5700 4.5999 4.7968 4.8008 4.8008 4.9082 4.9280 4.9280 5.1525 5.1525 5.5723 5.5723 5.9427 5.9704 6.0137 6.0137 8.1192 8.1192 8.1847 8.2025 8.2025 8.2222 8.4766 8.4830 8.4830 8.5177 9.2303 9.2303 12.0274 12.0284 k = 0.1400 0.1400 0.1400 ( 6325 PWs) bands (ev): -48.7715 -48.7715 -26.3902 -26.3902 -24.3070 -24.3070 -24.3070 -24.3070 -6.9061 -6.9061 -6.0675 -6.0675 -6.0409 -6.0382 -6.0353 -6.0353 0.8769 0.8782 0.8782 0.8832 1.7382 1.7382 2.1436 2.1436 2.3325 2.3556 2.3658 2.3658 2.8301 2.8301 2.8405 2.8486 2.9401 2.9401 3.3308 3.3308 3.3658 3.3658 3.3683 3.3890 3.7559 3.7559 3.7690 3.7847 4.1673 4.1925 4.1925 4.3175 4.3331 4.3331 4.4111 4.4111 4.5294 4.5294 4.5768 4.6055 4.7880 4.8009 4.8009 4.9046 4.9259 4.9259 5.1817 5.1817 5.5203 5.5203 5.9335 5.9628 6.0047 6.0047 8.1268 8.1268 8.1853 8.2049 8.2049 8.2222 8.5053 8.5119 8.5119 8.5463 9.3064 9.3064 12.0181 12.0195 k = 0.1500 0.1500 0.1500 ( 6316 PWs) bands (ev): -48.7715 -48.7715 -26.3902 -26.3902 -24.3071 -24.3071 -24.3071 -24.3071 -6.8893 -6.8893 -6.0737 -6.0737 -6.0473 -6.0446 -6.0411 -6.0411 0.8999 0.9011 0.9011 0.9067 1.7562 1.7562 2.1184 2.1184 2.3365 2.3606 2.3698 2.3698 2.8116 2.8116 2.8209 2.8280 2.9320 2.9320 3.3090 3.3090 3.3579 3.3579 3.3606 3.3824 3.7714 3.7714 3.7892 3.8015 4.1528 4.1836 4.1836 4.3099 4.3242 4.3242 4.4047 4.4047 4.5304 4.5304 4.5823 4.6104 4.7816 4.8013 4.8013 4.9022 4.9237 4.9237 5.2123 5.2123 5.4683 5.4683 5.9237 5.9544 5.9953 5.9953 8.1359 8.1359 8.1856 8.2081 8.2081 8.2221 8.5345 8.5415 8.5415 8.5754 9.3808 9.3808 12.0068 12.0088 k = 0.1600 0.1600 0.1600 ( 6319 PWs) bands (ev): -48.7715 -48.7715 -26.3903 -26.3903 -24.3072 -24.3072 -24.3072 -24.3072 -6.8717 -6.8717 -6.0800 -6.0800 -6.0540 -6.0512 -6.0471 -6.0471 0.9235 0.9246 0.9246 0.9308 1.7748 1.7748 2.0919 2.0919 2.3406 2.3658 2.3739 2.3739 2.7929 2.7929 2.8011 2.8071 2.9238 2.9238 3.2857 3.2857 3.3503 3.3503 3.3528 3.3756 3.7861 3.7861 3.8091 3.8176 4.1393 4.1754 4.1754 4.3032 4.3150 4.3150 4.3988 4.3988 4.5316 4.5316 4.5863 4.6146 4.7776 4.8020 4.8020 4.9010 4.9214 4.9214 5.2441 5.2441 5.4168 5.4168 5.9135 5.9455 5.9854 5.9854 8.1459 8.1459 8.1857 8.2127 8.2127 8.2219 8.5640 8.5716 8.5716 8.6049 9.4527 9.4527 11.9933 11.9961 k = 0.1700 0.1700 0.1700 ( 6310 PWs) bands (ev): -48.7714 -48.7714 -26.3904 -26.3904 -24.3073 -24.3073 -24.3073 -24.3073 -6.8532 -6.8532 -6.0867 -6.0867 -6.0610 -6.0580 -6.0532 -6.0532 0.9477 0.9487 0.9487 0.9556 1.7936 1.7936 2.0643 2.0643 2.3451 2.3712 2.3783 2.3783 2.7741 2.7741 2.7813 2.7862 2.9154 2.9154 3.2611 3.2611 3.3428 3.3428 3.3450 3.3685 3.8000 3.8000 3.8286 3.8330 4.1270 4.1680 4.1680 4.2974 4.3059 4.3059 4.3936 4.3936 4.5329 4.5329 4.5886 4.6182 4.7764 4.8032 4.8032 4.9010 4.9186 4.9186 5.2770 5.2770 5.3662 5.3662 5.9028 5.9359 5.9751 5.9751 8.1558 8.1558 8.1855 8.2196 8.2196 8.2215 8.5937 8.6019 8.6019 8.6347 9.5218 9.5218 11.9773 11.9811 k = 0.1800 0.1800 0.1800 ( 6319 PWs) bands (ev): -48.7715 -48.7715 -26.3905 -26.3905 -24.3074 -24.3074 -24.3074 -24.3074 -6.8339 -6.8339 -6.0935 -6.0935 -6.0681 -6.0650 -6.0595 -6.0595 0.9723 0.9732 0.9732 0.9807 1.8123 1.8123 2.0360 2.0360 2.3498 2.3766 2.3828 2.3828 2.7555 2.7555 2.7617 2.7655 2.9069 2.9069 3.2355 3.2355 3.3351 3.3351 3.3369 3.3611 3.8129 3.8129 3.8473 3.8476 4.1163 4.1615 4.1615 4.2928 4.2971 4.2971 4.3887 4.3887 4.5344 4.5344 4.5893 4.6210 4.7777 4.8047 4.8047 4.9022 4.9153 4.9153 5.3085 5.3085 5.3191 5.3191 5.8919 5.9260 5.9647 5.9647 8.1643 8.1643 8.1850 8.2209 8.2300 8.2300 8.6235 8.6325 8.6325 8.6647 9.5875 9.5875 11.9587 11.9635 k = 0.1900 0.1900 0.1900 ( 6301 PWs) bands (ev): -48.7714 -48.7714 -26.3905 -26.3905 -24.3075 -24.3075 -24.3075 -24.3075 -6.8140 -6.8140 -6.1005 -6.1005 -6.0754 -6.0722 -6.0660 -6.0660 0.9971 0.9978 0.9978 1.0061 1.8302 1.8302 2.0076 2.0076 2.3547 2.3821 2.3874 2.3874 2.7374 2.7374 2.7426 2.7453 2.8983 2.8983 3.2091 3.2091 3.3274 3.3274 3.3287 3.3534 3.8247 3.8247 3.8614 3.8650 4.1075 4.1560 4.1560 4.2889 4.2889 4.2894 4.3843 4.3843 4.5361 4.5361 4.5885 4.6232 4.7814 4.8065 4.8065 4.9047 4.9114 4.9114 5.2676 5.2676 5.3467 5.3467 5.8810 5.9158 5.9541 5.9541 8.1705 8.1705 8.1841 8.2200 8.2449 8.2449 8.6534 8.6632 8.6632 8.6947 9.6495 9.6495 11.9370 11.9429 k = 0.2000 0.2000 0.2000 ( 6322 PWs) bands (ev): -48.7715 -48.7715 -26.3906 -26.3906 -24.3076 -24.3076 -24.3076 -24.3076 -6.7933 -6.7933 -6.1076 -6.1076 -6.0828 -6.0796 -6.0725 -6.0725 1.0220 1.0223 1.0223 1.0314 1.8462 1.8462 1.9803 1.9803 2.3598 2.3877 2.3920 2.3920 2.7199 2.7199 2.7241 2.7258 2.8897 2.8897 3.1820 3.1820 3.3193 3.3193 3.3201 3.3452 3.8354 3.8354 3.8745 3.8815 4.1008 4.1514 4.1514 4.2812 4.2812 4.2873 4.3802 4.3802 4.5379 4.5379 4.5863 4.6247 4.7872 4.8083 4.8083 4.9065 4.9065 4.9082 5.2210 5.2210 5.3824 5.3824 5.8701 5.9054 5.9436 5.9436 8.1743 8.1743 8.1828 8.2188 8.2639 8.2639 8.6832 8.6939 8.6939 8.7248 9.7076 9.7076 11.9120 11.9191 k = 0.2100 0.2100 0.2100 ( 6322 PWs) bands (ev): -48.7715 -48.7715 -26.3907 -26.3907 -24.3077 -24.3077 -24.3077 -24.3077 -6.7721 -6.7721 -6.1148 -6.1148 -6.0903 -6.0870 -6.0791 -6.0791 1.0466 1.0466 1.0466 1.0566 1.8570 1.8570 1.9569 1.9569 2.3651 2.3932 2.3966 2.3966 2.7034 2.7034 2.7065 2.7073 2.8811 2.8811 3.1547 3.1547 3.3111 3.3111 3.3111 3.3365 3.8451 3.8451 3.8868 3.8964 4.0966 4.1478 4.1478 4.2744 4.2744 4.2865 4.3764 4.3764 4.5399 4.5399 4.5831 4.6257 4.7945 4.8099 4.8099 4.9009 4.9009 4.9126 5.1764 5.1764 5.4189 5.4189 5.8596 5.8951 5.9335 5.9335 8.1763 8.1763 8.1813 8.2173 8.2866 8.2866 8.7129 8.7245 8.7245 8.7547 9.7617 9.7617 11.8833 11.8916 k = 0.2200 0.2200 0.2200 ( 6307 PWs) bands (ev): -48.7714 -48.7714 -26.3908 -26.3908 -24.3078 -24.3078 -24.3078 -24.3078 -6.7504 -6.7504 -6.1222 -6.1222 -6.0979 -6.0946 -6.0858 -6.0858 1.0705 1.0705 1.0708 1.0814 1.8566 1.8566 1.9439 1.9439 2.3706 2.3987 2.4013 2.4013 2.6882 2.6882 2.6899 2.6900 2.8726 2.8726 3.1274 3.1274 3.3019 3.3025 3.3025 3.3275 3.8538 3.8538 3.8985 3.9094 4.0951 4.1451 4.1451 4.2685 4.2685 4.2869 4.3730 4.3730 4.5421 4.5421 4.5792 4.6261 4.8032 4.8109 4.8109 4.8944 4.8944 4.9178 5.1343 5.1343 5.4560 5.4560 5.8497 5.8852 5.9238 5.9238 8.1771 8.1771 8.1793 8.2155 8.3122 8.3122 8.7424 8.7548 8.7548 8.7844 9.8117 9.8117 11.8507 11.8601 k = 0.2300 0.2300 0.2300 ( 6313 PWs) bands (ev): -48.7714 -48.7714 -26.3909 -26.3909 -24.3079 -24.3079 -24.3079 -24.3079 -6.7282 -6.7282 -6.1295 -6.1295 -6.1055 -6.1022 -6.0924 -6.0924 1.0936 1.0936 1.0943 1.1055 1.8404 1.8404 1.9452 1.9452 2.3762 2.4041 2.4058 2.4058 2.6742 2.6743 2.6743 2.6747 2.8640 2.8640 3.1004 3.1004 3.2922 3.2936 3.2936 3.3179 3.8615 3.8615 3.9096 3.9206 4.0965 4.1432 4.1432 4.2634 4.2634 4.2885 4.3698 4.3698 4.5442 4.5442 4.5745 4.6259 4.8104 4.8104 4.8125 4.8873 4.8873 4.9236 5.0950 5.0950 5.4936 5.4936 5.8406 5.8758 5.9149 5.9149 8.1769 8.1769 8.1771 8.2134 8.3403 8.3403 8.7717 8.7849 8.7849 8.8138 9.8578 9.8578 11.8138 11.8243 k = 0.2400 0.2400 0.2400 ( 6319 PWs) bands (ev): -48.7714 -48.7714 -26.3909 -26.3909 -24.3081 -24.3081 -24.3081 -24.3080 -6.7057 -6.7057 -6.1369 -6.1369 -6.1131 -6.1097 -6.0991 -6.0991 1.1159 1.1159 1.1171 1.1287 1.8143 1.8143 1.9553 1.9553 2.3818 2.4093 2.4103 2.4103 2.6601 2.6610 2.6622 2.6622 2.8556 2.8556 3.0742 3.0742 3.2821 3.2844 3.2844 3.3079 3.8686 3.8686 3.9203 3.9298 4.1007 4.1420 4.1420 4.2592 4.2592 4.2911 4.3668 4.3668 4.5464 4.5464 4.5695 4.6252 4.8076 4.8076 4.8222 4.8799 4.8799 4.9297 5.0592 5.0592 5.5315 5.5315 5.8326 5.8673 5.9069 5.9069 8.1746 8.1762 8.1762 8.2111 8.3704 8.3704 8.8006 8.8145 8.8145 8.8428 9.9001 9.9001 11.7723 11.7839 k = 0.2500 0.2500 0.2500 ( 6331 PWs) bands (ev): -48.7715 -48.7715 -26.3910 -26.3910 -24.3082 -24.3082 -24.3082 -24.3082 -6.6828 -6.6828 -6.1443 -6.1443 -6.1207 -6.1173 -6.1057 -6.1057 1.1370 1.1370 1.1388 1.1509 1.7839 1.7839 1.9682 1.9682 2.3875 2.4143 2.4146 2.4146 2.6480 2.6491 2.6519 2.6519 2.8472 2.8472 3.0490 3.0490 3.2717 3.2749 3.2749 3.2975 3.8750 3.8750 3.9308 3.9374 4.1072 4.1413 4.1413 4.2558 4.2558 4.2945 4.3640 4.3640 4.5485 4.5485 4.5640 4.6241 4.8009 4.8009 4.8319 4.8731 4.8731 4.9358 5.0274 5.0274 5.5696 5.5696 5.8261 5.8599 5.9003 5.9003 8.1719 8.1749 8.1749 8.2084 8.4022 8.4022 8.8290 8.8436 8.8436 8.8713 9.9390 9.9390 11.7262 11.7385 k = 0.2600 0.2600 0.2600 ( 6319 PWs) bands (ev): -48.7714 -48.7714 -26.3911 -26.3911 -24.3083 -24.3083 -24.3083 -24.3083 -6.6598 -6.6598 -6.1516 -6.1516 -6.1282 -6.1248 -6.1123 -6.1123 1.1569 1.1569 1.1592 1.1719 1.7517 1.7517 1.9812 1.9812 2.3932 2.4188 2.4188 2.4191 2.6381 2.6391 2.6437 2.6437 2.8391 2.8391 3.0253 3.0253 3.2610 3.2651 3.2651 3.2867 3.8811 3.8811 3.9412 3.9439 4.1158 4.1411 4.1411 4.2531 4.2531 4.2986 4.3615 4.3615 4.5504 4.5504 4.5583 4.6225 4.7894 4.7894 4.8412 4.8674 4.8674 4.9418 5.0000 5.0000 5.6077 5.6077 5.8214 5.8541 5.8952 5.8952 8.1690 8.1734 8.1734 8.2056 8.4354 8.4354 8.8569 8.8721 8.8721 8.8992 9.9747 9.9747 11.6751 11.6882 k = 0.2700 0.2700 0.2700 ( 6316 PWs) bands (ev): -48.7714 -48.7714 -26.3912 -26.3912 -24.3084 -24.3084 -24.3084 -24.3084 -6.6367 -6.6367 -6.1589 -6.1589 -6.1356 -6.1323 -6.1188 -6.1188 1.1753 1.1753 1.1783 1.1914 1.7187 1.7187 1.9931 1.9931 2.3990 2.4230 2.4230 2.4237 2.6303 2.6311 2.6376 2.6376 2.8311 2.8311 3.0035 3.0035 3.2499 3.2550 3.2550 3.2755 3.8869 3.8869 3.9496 3.9516 4.1258 4.1412 4.1412 4.2510 4.2510 4.3033 4.3592 4.3592 4.5521 4.5521 4.5524 4.6204 4.7730 4.7730 4.8498 4.8627 4.8627 4.9471 4.9771 4.9771 5.6458 5.6458 5.8188 5.8501 5.8920 5.8920 8.1660 8.1716 8.1716 8.2025 8.4697 8.4697 8.8841 8.8997 8.8997 8.9263 10.0077 10.0077 11.6193 11.6329 k = 0.2800 0.2800 0.2800 ( 6310 PWs) bands (ev): -48.7714 -48.7714 -26.3913 -26.3913 -24.3085 -24.3085 -24.3085 -24.3085 -6.6135 -6.6135 -6.1661 -6.1661 -6.1429 -6.1396 -6.1252 -6.1252 1.1921 1.1921 1.1959 1.2093 1.6856 1.6856 2.0032 2.0032 2.4048 2.4272 2.4272 2.4282 2.6248 2.6252 2.6335 2.6335 2.8233 2.8233 2.9840 2.9840 3.2386 3.2446 3.2446 3.2640 3.8925 3.8925 3.9551 3.9623 4.1368 4.1417 4.1417 4.2493 4.2493 4.3083 4.3570 4.3570 4.5463 4.5534 4.5534 4.6180 4.7528 4.7528 4.8571 4.8580 4.8580 4.9516 4.9585 4.9585 5.6837 5.6837 5.8187 5.8483 5.8911 5.8911 8.1629 8.1696 8.1696 8.1993 8.5049 8.5049 8.9104 8.9264 8.9264 8.9524 10.0383 10.0383 11.5590 11.5728 k = 0.2900 0.2900 0.2900 ( 6310 PWs) bands (ev): -48.7713 -48.7713 -26.3913 -26.3913 -24.3086 -24.3086 -24.3086 -24.3086 -6.5904 -6.5904 -6.1731 -6.1731 -6.1501 -6.1469 -6.1315 -6.1315 1.2072 1.2072 1.2118 1.2254 1.6527 1.6527 2.0109 2.0109 2.4107 2.4315 2.4315 2.4327 2.6214 2.6215 2.6316 2.6316 2.8159 2.8159 2.9672 2.9672 3.2271 3.2341 3.2341 3.2523 3.8982 3.8982 3.9607 3.9732 4.1424 4.1424 4.1483 4.2480 4.2480 4.3135 4.3548 4.3548 4.5399 4.5543 4.5543 4.6151 4.7301 4.7301 4.8523 4.8523 4.8630 4.9438 4.9438 4.9547 5.7211 5.7211 5.8212 5.8489 5.8926 5.8926 8.1599 8.1676 8.1676 8.1961 8.5407 8.5407 8.9358 8.9520 8.9520 8.9774 10.0670 10.0670 11.4943 11.5083 k = 0.3000 0.3000 0.3000 ( 6310 PWs) bands (ev): -48.7713 -48.7713 -26.3914 -26.3914 -24.3087 -24.3087 -24.3087 -24.3087 -6.5674 -6.5674 -6.1800 -6.1800 -6.1571 -6.1539 -6.1377 -6.1377 1.2204 1.2204 1.2259 1.2397 1.6203 1.6203 2.0161 2.0161 2.4168 2.4361 2.4361 2.4374 2.6196 2.6204 2.6316 2.6316 2.8087 2.8087 2.9534 2.9534 3.2154 3.2233 3.2233 3.2403 3.9038 3.9038 3.9666 3.9845 4.1434 4.1434 4.1600 4.2469 4.2469 4.3188 4.3528 4.3528 4.5334 4.5546 4.5546 4.6119 4.7063 4.7063 4.8449 4.8449 4.8671 4.9322 4.9322 4.9564 5.7580 5.7580 5.8267 5.8523 5.8969 5.8969 8.1569 8.1656 8.1656 8.1928 8.5768 8.5768 8.9599 8.9762 8.9762 9.0010 10.0940 10.0940 11.4260 11.4400 k = 0.3100 0.3100 0.3100 ( 6319 PWs) bands (ev): -48.7714 -48.7714 -26.3915 -26.3915 -24.3089 -24.3089 -24.3089 -24.3089 -6.5447 -6.5447 -6.1867 -6.1867 -6.1639 -6.1608 -6.1438 -6.1438 1.2318 1.2318 1.2383 1.2522 1.5886 1.5886 2.0183 2.0183 2.4231 2.4410 2.4410 2.4424 2.6198 2.6210 2.6333 2.6333 2.8019 2.8019 2.9428 2.9428 3.2036 3.2124 3.2124 3.2282 3.9096 3.9096 3.9731 3.9963 4.1445 4.1445 4.1717 4.2459 4.2459 4.3240 4.3508 4.3508 4.5267 4.5542 4.5542 4.6082 4.6826 4.6826 4.8355 4.8355 4.8693 4.9228 4.9228 4.9562 5.7940 5.7940 5.8352 5.8586 5.9042 5.9042 8.1542 8.1636 8.1636 8.1896 8.6130 8.6130 8.9827 8.9989 8.9989 9.0231 10.1198 10.1198 11.3547 11.3684 k = 0.3200 0.3200 0.3200 ( 6313 PWs) bands (ev): -48.7713 -48.7713 -26.3916 -26.3916 -24.3090 -24.3090 -24.3090 -24.3090 -6.5223 -6.5223 -6.1933 -6.1933 -6.1704 -6.1675 -6.1497 -6.1497 1.2414 1.2414 1.2489 1.2627 1.5577 1.5577 2.0175 2.0175 2.4297 2.4465 2.4465 2.4479 2.6217 2.6233 2.6366 2.6366 2.7954 2.7954 2.9355 2.9355 3.1918 3.2015 3.2015 3.2160 3.9155 3.9155 3.9804 4.0086 4.1460 4.1460 4.1832 4.2449 4.2449 4.3291 4.3488 4.3488 4.5200 4.5529 4.5529 4.6043 4.6600 4.6600 4.8244 4.8244 4.8693 4.9148 4.9148 4.9540 5.8288 5.8288 5.8469 5.8680 5.9150 5.9150 8.1517 8.1619 8.1619 8.1866 8.6490 8.6490 9.0038 9.0198 9.0198 9.0435 10.1445 10.1445 11.2811 11.2944 k = 0.3300 0.3300 0.3300 ( 6322 PWs) bands (ev): -48.7714 -48.7714 -26.3917 -26.3917 -24.3091 -24.3091 -24.3091 -24.3091 -6.5003 -6.5003 -6.1996 -6.1996 -6.1768 -6.1739 -6.1554 -6.1554 1.2492 1.2492 1.2577 1.2714 1.5278 1.5278 2.0137 2.0137 2.4367 2.4526 2.4526 2.4540 2.6252 2.6270 2.6412 2.6412 2.7894 2.7894 2.9315 2.9315 3.1799 3.1904 3.1904 3.2038 3.9214 3.9214 3.9884 4.0213 4.1477 4.1477 4.1943 4.2439 4.2439 4.3340 4.3467 4.3467 4.5131 4.5504 4.5504 4.6000 4.6393 4.6393 4.8118 4.8118 4.8671 4.9071 4.9071 4.9495 5.8617 5.8620 5.8620 5.8805 5.9293 5.9293 8.1495 8.1604 8.1604 8.1837 8.6845 8.6845 9.0231 9.0388 9.0388 9.0618 10.1685 10.1685 11.2060 11.2189 k = 0.3400 0.3400 0.3400 ( 6292 PWs) bands (ev): -48.7712 -48.7712 -26.3917 -26.3917 -24.3092 -24.3092 -24.3092 -24.3092 -6.4788 -6.4788 -6.2056 -6.2056 -6.1829 -6.1801 -6.1610 -6.1610 1.2552 1.2552 1.2649 1.2783 1.4992 1.4992 2.0071 2.0071 2.4442 2.4594 2.4594 2.4608 2.6301 2.6319 2.6469 2.6469 2.7839 2.7839 2.9309 2.9309 3.1682 3.1794 3.1794 3.1916 3.9275 3.9275 3.9974 4.0348 4.1498 4.1498 4.2050 4.2427 4.2427 4.3386 4.3446 4.3446 4.5063 4.5465 4.5465 4.5955 4.6214 4.6214 4.7981 4.7981 4.8629 4.8992 4.8992 4.9429 5.8794 5.8933 5.8933 5.8960 5.9476 5.9476 8.1477 8.1592 8.1592 8.1812 8.7194 8.7194 9.0404 9.0555 9.0555 9.0780 10.1920 10.1920 11.1306 11.1429 k = 0.3500 0.3500 0.3500 ( 6286 PWs) bands (ev): -48.7712 -48.7712 -26.3918 -26.3918 -24.3093 -24.3093 -24.3093 -24.3092 -6.4579 -6.4579 -6.2114 -6.2114 -6.1887 -6.1861 -6.1664 -6.1664 1.2596 1.2596 1.2705 1.2835 1.4718 1.4718 1.9979 1.9979 2.4522 2.4668 2.4668 2.4682 2.6360 2.6376 2.6534 2.6534 2.7787 2.7787 2.9332 2.9332 3.1567 3.1685 3.1685 3.1794 3.9336 3.9336 4.0073 4.0486 4.1522 4.1522 4.2152 4.2414 4.2414 4.3422 4.3422 4.3428 4.4994 4.5408 4.5408 4.5907 4.6070 4.6070 4.7836 4.7836 4.8566 4.8905 4.8905 4.9341 5.8997 5.9143 5.9222 5.9222 5.9695 5.9695 8.1465 8.1584 8.1584 8.1790 8.7533 8.7533 9.0552 9.0698 9.0698 9.0916 10.2150 10.2150 11.0555 11.0673 k = 0.3600 0.3600 0.3600 ( 6292 PWs) bands (ev): -48.7712 -48.7712 -26.3918 -26.3918 -24.3093 -24.3093 -24.3093 -24.3093 -6.4376 -6.4376 -6.2169 -6.2169 -6.1942 -6.1917 -6.1717 -6.1717 1.2626 1.2626 1.2746 1.2871 1.4459 1.4459 1.9865 1.9865 2.4606 2.4747 2.4747 2.4763 2.6427 2.6440 2.6605 2.6605 2.7740 2.7740 2.9382 2.9382 3.1454 3.1576 3.1576 3.1674 3.9394 3.9394 4.0180 4.0630 4.1548 4.1548 4.2249 4.2397 4.2397 4.3395 4.3395 4.3464 4.4927 4.5333 4.5333 4.5856 4.5963 4.5963 4.7686 4.7686 4.8484 4.8808 4.8808 4.9232 5.9224 5.9350 5.9493 5.9493 5.9945 5.9945 8.1458 8.1580 8.1580 8.1773 8.7861 8.7861 9.0675 9.0814 9.0814 9.1025 10.2376 10.2376 10.9819 10.9931 k = 0.3700 0.3700 0.3700 ( 6292 PWs) bands (ev): -48.7712 -48.7712 -26.3919 -26.3919 -24.3094 -24.3094 -24.3094 -24.3094 -6.4181 -6.4181 -6.2221 -6.2221 -6.1994 -6.1971 -6.1768 -6.1768 1.2643 1.2643 1.2775 1.2894 1.4216 1.4216 1.9734 1.9734 2.4694 2.4832 2.4832 2.4850 2.6500 2.6508 2.6679 2.6679 2.7699 2.7699 2.9456 2.9456 3.1344 3.1469 3.1469 3.1557 3.9451 3.9451 4.0296 4.0777 4.1579 4.1579 4.2340 4.2379 4.2379 4.3367 4.3367 4.3495 4.4862 4.5249 4.5249 4.5803 4.5887 4.5887 4.7532 4.7532 4.8387 4.8701 4.8701 4.9105 5.9470 5.9578 5.9753 5.9753 6.0211 6.0211 8.1458 8.1581 8.1581 8.1761 8.8175 8.8175 9.0771 9.0902 9.0902 9.1105 10.2599 10.2599 10.9107 10.9212 k = 0.3800 0.3800 0.3800 ( 6292 PWs) bands (ev): -48.7712 -48.7712 -26.3920 -26.3920 -24.3095 -24.3095 -24.3095 -24.3095 -6.3995 -6.3995 -6.2270 -6.2270 -6.2043 -6.2021 -6.1818 -6.1818 1.2648 1.2648 1.2793 1.2906 1.3988 1.3988 1.9589 1.9589 2.4785 2.4919 2.4919 2.4940 2.6577 2.6578 2.6755 2.6755 2.7663 2.7663 2.9548 2.9548 3.1238 3.1365 3.1365 3.1442 3.9505 3.9505 4.0420 4.0928 4.1613 4.1613 4.2358 4.2358 4.2425 4.3336 4.3336 4.3517 4.4801 4.5164 4.5164 4.5749 4.5835 4.5835 4.7376 4.7376 4.8276 4.8582 4.8582 4.8960 5.9731 5.9821 6.0010 6.0010 6.0481 6.0481 8.1465 8.1588 8.1588 8.1755 8.8474 8.8474 9.0838 9.0959 9.0959 9.1155 10.2819 10.2819 10.8427 10.8526 k = 0.3900 0.3900 0.3900 ( 6299 PWs) bands (ev): -48.7712 -48.7712 -26.3920 -26.3920 -24.3096 -24.3096 -24.3096 -24.3096 -6.3817 -6.3817 -6.2315 -6.2315 -6.2088 -6.2068 -6.1867 -6.1867 1.2643 1.2643 1.2802 1.2907 1.3779 1.3779 1.9436 1.9436 2.4879 2.5008 2.5008 2.5033 2.6648 2.6654 2.6828 2.6828 2.7634 2.7634 2.9655 2.9655 3.1137 3.1264 3.1264 3.1331 3.9554 3.9554 4.0552 4.1081 4.1651 4.1651 4.2336 4.2336 4.2505 4.3302 4.3302 4.3531 4.4746 4.5088 4.5088 4.5693 4.5800 4.5800 4.7220 4.7220 4.8156 4.8454 4.8454 4.8803 6.0000 6.0076 6.0265 6.0265 6.0745 6.0745 8.1479 8.1600 8.1600 8.1754 8.8755 8.8755 9.0875 9.0987 9.0987 9.1173 10.3034 10.3034 10.7786 10.7879 k = 0.4000 0.4000 0.4000 ( 6299 PWs) bands (ev): -48.7712 -48.7712 -26.3921 -26.3921 -24.3097 -24.3097 -24.3097 -24.3097 -6.3648 -6.3648 -6.2357 -6.2357 -6.2130 -6.2111 -6.1914 -6.1914 1.2630 1.2630 1.2803 1.2900 1.3587 1.3587 1.9280 1.9280 2.4973 2.5097 2.5097 2.5126 2.6718 2.6731 2.6898 2.6898 2.7612 2.7612 2.9771 2.9771 3.1041 3.1166 3.1166 3.1225 3.9598 3.9598 4.0691 4.1234 4.1693 4.1693 4.2312 4.2312 4.2578 4.3267 4.3267 4.3534 4.4700 4.5026 4.5026 4.5636 4.5775 4.5775 4.7066 4.7066 4.8031 4.8319 4.8319 4.8635 6.0272 6.0335 6.0518 6.0518 6.1000 6.1000 8.1501 8.1618 8.1618 8.1759 8.9017 8.9017 9.0883 9.0984 9.0984 9.1160 10.3243 10.3243 10.7193 10.7279 k = 0.4100 0.4100 0.4100 ( 6272 PWs) bands (ev): -48.7711 -48.7711 -26.3921 -26.3921 -24.3097 -24.3097 -24.3097 -24.3097 -6.3490 -6.3490 -6.2395 -6.2395 -6.2168 -6.2151 -6.1961 -6.1961 1.2611 1.2611 1.2799 1.2887 1.3415 1.3415 1.9124 1.9124 2.5068 2.5185 2.5185 2.5218 2.6785 2.6806 2.6960 2.6960 2.7599 2.7599 2.9892 2.9892 3.0953 3.1074 3.1074 3.1123 3.9636 3.9636 4.0837 4.1385 4.1740 4.1740 4.2288 4.2288 4.2646 4.3232 4.3232 4.3524 4.4665 4.4979 4.4979 4.5578 4.5760 4.5760 4.6916 4.6916 4.7904 4.8179 4.8179 4.8462 6.0543 6.0594 6.0765 6.0765 6.1242 6.1242 8.1530 8.1642 8.1642 8.1770 8.9260 8.9260 9.0863 9.0953 9.0953 9.1119 10.3444 10.3444 10.6652 10.6731 k = 0.4200 0.4200 0.4200 ( 6266 PWs) bands (ev): -48.7711 -48.7711 -26.3922 -26.3922 -24.3098 -24.3098 -24.3098 -24.3098 -6.3342 -6.3342 -6.2430 -6.2430 -6.2202 -6.2187 -6.2007 -6.2007 1.2587 1.2587 1.2791 1.2870 1.3262 1.3262 1.8973 1.8973 2.5160 2.5270 2.5270 2.5306 2.6849 2.6875 2.7014 2.7014 2.7594 2.7594 3.0014 3.0014 3.0872 3.0987 3.0987 3.1028 3.9668 3.9668 4.0987 4.1532 4.1789 4.1789 4.2264 4.2264 4.2707 4.3196 4.3196 4.3500 4.4642 4.4948 4.4948 4.5519 4.5751 4.5751 4.6771 4.6771 4.7778 4.8037 4.8037 4.8285 6.0804 6.0846 6.1000 6.1000 6.1468 6.1468 8.1565 8.1671 8.1671 8.1786 8.9480 8.9480 9.0819 9.0898 9.0898 9.1051 10.3635 10.3635 10.6167 10.6240 k = 0.4300 0.4300 0.4300 ( 6278 PWs) bands (ev): -48.7711 -48.7711 -26.3922 -26.3922 -24.3098 -24.3098 -24.3098 -24.3098 -6.3205 -6.3205 -6.2460 -6.2460 -6.2232 -6.2219 -6.2052 -6.2052 1.2559 1.2559 1.2780 1.2850 1.3130 1.3130 1.8831 1.8831 2.5249 2.5349 2.5349 2.5387 2.6908 2.6938 2.7055 2.7055 2.7599 2.7599 3.0132 3.0132 3.0799 3.0907 3.0907 3.0940 3.9692 3.9692 4.1140 4.1671 4.1839 4.1839 4.2241 4.2241 4.2761 4.3162 4.3162 4.3461 4.4635 4.4929 4.4929 4.5457 4.5748 4.5748 4.6633 4.6633 4.7657 4.7895 4.7895 4.8110 6.1052 6.1086 6.1218 6.1218 6.1676 6.1676 8.1606 8.1703 8.1703 8.1805 8.9677 8.9677 9.0755 9.0822 9.0822 9.0962 10.3814 10.3814 10.5742 10.5807 k = 0.4400 0.4400 0.4400 ( 6266 PWs) bands (ev): -48.7711 -48.7711 -26.3922 -26.3922 -24.3099 -24.3099 -24.3099 -24.3099 -6.3079 -6.3079 -6.2486 -6.2486 -6.2259 -6.2247 -6.2098 -6.2098 1.2529 1.2529 1.2769 1.2830 1.3018 1.3018 1.8701 1.8701 2.5333 2.5421 2.5421 2.5461 2.6961 2.6993 2.7086 2.7086 2.7613 2.7613 3.0242 3.0242 3.0736 3.0835 3.0835 3.0860 3.9710 3.9710 4.1295 4.1800 4.1891 4.1891 4.2221 4.2221 4.2809 4.3129 4.3129 4.3408 4.4644 4.4923 4.4923 4.5394 4.5751 4.5751 4.6504 4.6504 4.7547 4.7759 4.7759 4.7941 6.1280 6.1307 6.1416 6.1416 6.1865 6.1865 8.1651 8.1738 8.1738 8.1827 8.9850 8.9850 9.0678 9.0733 9.0733 9.0859 10.3977 10.3977 10.5378 10.5435 k = 0.4500 0.4500 0.4500 ( 6263 PWs) bands (ev): -48.7710 -48.7710 -26.3922 -26.3922 -24.3099 -24.3099 -24.3099 -24.3099 -6.2965 -6.2965 -6.2508 -6.2508 -6.2281 -6.2271 -6.2144 -6.2144 1.2498 1.2498 1.2758 1.2809 1.2927 1.2927 1.8587 1.8587 2.5411 2.5486 2.5486 2.5525 2.7008 2.7041 2.7107 2.7107 2.7632 2.7632 3.0342 3.0342 3.0683 3.0771 3.0771 3.0788 3.9722 3.9722 4.1449 4.1913 4.1939 4.1939 4.2204 4.2204 4.2851 4.3099 4.3099 4.3344 4.4667 4.4925 4.4925 4.5329 4.5760 4.5760 4.6386 4.6386 4.7450 4.7632 4.7632 4.7782 6.1484 6.1504 6.1587 6.1587 6.2033 6.2033 8.1698 8.1773 8.1773 8.1848 8.9998 8.9998 9.0595 9.0637 9.0637 9.0748 10.4121 10.4121 10.5074 10.5123 k = 0.4600 0.4600 0.4600 ( 6251 PWs) bands (ev): -48.7710 -48.7710 -26.3923 -26.3923 -24.3099 -24.3099 -24.3099 -24.3099 -6.2863 -6.2863 -6.2525 -6.2525 -6.2299 -6.2291 -6.2190 -6.2190 1.2467 1.2467 1.2749 1.2789 1.2856 1.2856 1.8489 1.8489 2.5480 2.5540 2.5540 2.5577 2.7048 2.7079 2.7120 2.7120 2.7654 2.7654 3.0428 3.0428 3.0641 3.0718 3.0718 3.0727 3.9730 3.9730 4.1599 4.1982 4.1982 4.2005 4.2193 4.2193 4.2887 4.3072 4.3072 4.3272 4.4706 4.4933 4.4933 4.5261 4.5774 4.5774 4.6280 4.6280 4.7371 4.7518 4.7518 4.7638 6.1658 6.1673 6.1730 6.1730 6.2177 6.2177 8.1745 8.1807 8.1807 8.1868 9.0119 9.0119 9.0514 9.0544 9.0544 9.0639 10.4242 10.4242 10.4830 10.4871 k = 0.4700 0.4700 0.4700 ( 6245 PWs) bands (ev): -48.7709 -48.7709 -26.3923 -26.3923 -24.3100 -24.3100 -24.3100 -24.3100 -6.2776 -6.2776 -6.2536 -6.2536 -6.2313 -6.2307 -6.2236 -6.2236 1.2440 1.2440 1.2741 1.2772 1.2803 1.2803 1.8411 1.8411 2.5539 2.5584 2.5584 2.5615 2.7081 2.7107 2.7128 2.7128 2.7675 2.7675 3.0497 3.0497 3.0609 3.0675 3.0675 3.0675 3.9735 3.9735 4.1740 4.2016 4.2016 4.2070 4.2188 4.2188 4.2919 4.3050 4.3050 4.3198 4.4758 4.4943 4.4943 4.5190 4.5793 4.5793 4.6190 4.6190 4.7312 4.7422 4.7422 4.7513 6.1798 6.1809 6.1842 6.1842 6.2293 6.2293 8.1789 8.1836 8.1836 8.1883 9.0214 9.0214 9.0444 9.0462 9.0462 9.0539 10.4335 10.4335 10.4645 10.4675 k = 0.4800 0.4800 0.4800 ( 6257 PWs) bands (ev): -48.7710 -48.7710 -26.3923 -26.3923 -24.3100 -24.3100 -24.3100 -24.3100 -6.2707 -6.2707 -6.2539 -6.2539 -6.2322 -6.2318 -6.2279 -6.2279 1.2418 1.2418 1.2737 1.2758 1.2767 1.2767 1.8355 1.8355 2.5587 2.5616 2.5616 2.5639 2.7107 2.7125 2.7131 2.7131 2.7691 2.7691 3.0548 3.0548 3.0590 3.0634 3.0644 3.0644 3.9737 3.9737 4.1868 4.2039 4.2039 4.2103 4.2188 4.2188 4.2949 4.3033 4.3033 4.3128 4.4819 4.4953 4.4953 4.5115 4.5814 4.5814 4.6118 4.6118 4.7277 4.7349 4.7349 4.7411 6.1901 6.1908 6.1922 6.1922 6.2379 6.2379 8.1827 8.1859 8.1859 8.1891 9.0279 9.0279 9.0392 9.0400 9.0400 9.0457 10.4393 10.4393 10.4515 10.4536 k = 0.4900 0.4900 0.4900 ( 6272 PWs) bands (ev): -48.7711 -48.7711 -26.3923 -26.3923 -24.3100 -24.3100 -24.3100 -24.3100 -6.2664 -6.2664 -6.2534 -6.2534 -6.2328 -6.2326 -6.2314 -6.2314 1.2404 1.2404 1.2737 1.2747 1.2747 1.2747 1.8320 1.8320 2.5621 2.5636 2.5636 2.5648 2.7124 2.7133 2.7133 2.7134 2.7702 2.7702 3.0578 3.0578 3.0583 3.0605 3.0626 3.0626 3.9737 3.9737 4.1975 4.2050 4.2050 4.2098 4.2191 4.2191 4.2980 4.3021 4.3021 4.3066 4.4888 4.4960 4.4960 4.5039 4.5833 4.5833 4.6067 4.6067 4.7268 4.7303 4.7303 4.7335 6.1964 6.1968 6.1971 6.1971 6.2431 6.2431 8.1858 8.1874 8.1874 8.1890 9.0308 9.0308 9.0365 9.0369 9.0369 9.0398 10.4416 10.4416 10.4440 10.4451 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -48.7711 -48.7711 -26.3923 -26.3923 -24.3100 -24.3100 -24.3100 -24.3100 -6.2650 -6.2650 -6.2529 -6.2529 -6.2329 -6.2329 -6.2329 -6.2329 1.2399 1.2399 1.2740 1.2740 1.2740 1.2740 1.8308 1.8308 2.5642 2.5642 2.5642 2.5642 2.7133 2.7133 2.7133 2.7133 2.7706 2.7706 3.0588 3.0588 3.0588 3.0588 3.0620 3.0620 3.9737 3.9737 4.2054 4.2054 4.2054 4.2054 4.2192 4.2192 4.3018 4.3018 4.3018 4.3018 4.4962 4.4962 4.4962 4.4962 4.5841 4.5841 4.6049 4.6049 4.7287 4.7287 4.7287 4.7287 6.1987 6.1987 6.1987 6.1987 6.2449 6.2449 8.1879 8.1879 8.1879 8.1879 9.0310 9.0310 9.0367 9.0367 9.0367 9.0367 10.4419 10.4419 10.4419 10.4419 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -48.7711 -48.7711 -26.3923 -26.3923 -24.3100 -24.3100 -24.3100 -24.3100 -6.2650 -6.2650 -6.2529 -6.2529 -6.2329 -6.2329 -6.2329 -6.2329 1.2399 1.2399 1.2740 1.2740 1.2740 1.2740 1.8308 1.8308 2.5642 2.5642 2.5642 2.5642 2.7133 2.7133 2.7133 2.7133 2.7706 2.7706 3.0588 3.0588 3.0588 3.0588 3.0620 3.0620 3.9737 3.9737 4.2054 4.2054 4.2054 4.2054 4.2192 4.2192 4.3018 4.3018 4.3018 4.3018 4.4962 4.4962 4.4962 4.4962 4.5841 4.5841 4.6049 4.6049 4.7287 4.7287 4.7287 4.7287 6.1987 6.1987 6.1987 6.1987 6.2449 6.2449 8.1879 8.1879 8.1879 8.1879 9.0310 9.0310 9.0367 9.0367 9.0367 9.0367 10.4419 10.4419 10.4419 10.4419 k = 0.4878 0.5000 0.4878 ( 6272 PWs) bands (ev): -48.7711 -48.7711 -26.3923 -26.3923 -24.3100 -24.3100 -24.3100 -24.3100 -6.2664 -6.2663 -6.2535 -6.2533 -6.2328 -6.2326 -6.2314 -6.2313 1.2404 1.2404 1.2737 1.2745 1.2747 1.2748 1.8320 1.8320 2.5622 2.5632 2.5639 2.5648 2.7124 2.7131 2.7132 2.7136 2.7702 2.7702 3.0579 3.0580 3.0582 3.0604 3.0623 3.0628 3.9737 3.9737 4.1978 4.2034 4.2064 4.2097 4.2191 4.2191 4.2981 4.3011 4.3032 4.3065 4.4891 4.4941 4.4979 4.5036 4.5833 4.5833 4.6066 4.6068 4.7269 4.7295 4.7310 4.7334 6.1963 6.1966 6.1971 6.1973 6.2431 6.2431 8.1857 8.1872 8.1877 8.1891 9.0305 9.0314 9.0365 9.0368 9.0369 9.0397 10.4418 10.4420 10.4438 10.4448 k = 0.4756 0.5000 0.4756 ( 6260 PWs) bands (ev): -48.7710 -48.7710 -26.3923 -26.3923 -24.3100 -24.3100 -24.3100 -24.3100 -6.2708 -6.2702 -6.2546 -6.2535 -6.2325 -6.2321 -6.2280 -6.2274 1.2418 1.2418 1.2739 1.2758 1.2762 1.2769 1.8354 1.8354 2.5588 2.5610 2.5623 2.5639 2.7104 2.7118 2.7132 2.7139 2.7691 2.7692 3.0547 3.0562 3.0582 3.0630 3.0633 3.0653 3.9736 3.9737 4.1873 4.2008 4.2058 4.2110 4.2186 4.2189 4.2950 4.3012 4.3052 4.3126 4.4822 4.4921 4.4987 4.5109 4.5816 4.5817 4.6111 4.6119 4.7275 4.7335 4.7360 4.7412 6.1896 6.1902 6.1927 6.1930 6.2379 6.2380 8.1819 8.1858 8.1861 8.1900 9.0271 9.0321 9.0361 9.0384 9.0408 9.0460 10.4410 10.4414 10.4498 10.4517 k = 0.4634 0.5000 0.4634 ( 6242 PWs) bands (ev): -48.7709 -48.7709 -26.3923 -26.3923 -24.3100 -24.3100 -24.3100 -24.3100 -6.2775 -6.2764 -6.2553 -6.2529 -6.2320 -6.2311 -6.2237 -6.2226 1.2439 1.2441 1.2747 1.2775 1.2792 1.2803 1.8410 1.8411 2.5542 2.5575 2.5594 2.5616 2.7073 2.7094 2.7133 2.7141 2.7675 2.7678 3.0496 3.0527 3.0588 3.0659 3.0665 3.0692 3.9734 3.9736 4.1749 4.1977 4.2023 4.2097 4.2182 4.2197 4.2920 4.3021 4.3075 4.3198 4.4756 4.4907 4.4984 4.5180 4.5804 4.5805 4.6170 4.6194 4.7304 4.7406 4.7434 4.7520 6.1785 6.1795 6.1853 6.1858 6.2295 6.2298 8.1766 8.1824 8.1849 8.1907 9.0209 9.0302 9.0372 9.0417 9.0482 9.0552 10.4387 10.4391 10.4583 10.4608 k = 0.4512 0.5000 0.4512 ( 6252 PWs) bands (ev): -48.7710 -48.7710 -26.3923 -26.3923 -24.3100 -24.3100 -24.3099 -24.3099 -6.2858 -6.2842 -6.2556 -6.2517 -6.2311 -6.2296 -6.2191 -6.2173 1.2466 1.2469 1.2763 1.2798 1.2834 1.2852 1.8487 1.8490 2.5484 2.5529 2.5553 2.5578 2.7031 2.7057 2.7131 2.7140 2.7656 2.7663 3.0427 3.0473 3.0601 3.0702 3.0705 3.0744 3.9729 3.9732 4.1610 4.1940 4.1958 4.2065 4.2177 4.2215 4.2889 4.3033 4.3099 4.3273 4.4695 4.4903 4.4969 4.5245 4.5798 4.5808 4.6239 4.6284 4.7354 4.7501 4.7530 4.7651 6.1633 6.1648 6.1748 6.1756 6.2182 6.2189 8.1702 8.1778 8.1836 8.1912 9.0124 9.0249 9.0403 9.0460 9.0579 9.0666 10.4347 10.4350 10.4689 10.4716 k = 0.4390 0.5000 0.4390 ( 6256 PWs) bands (ev): -48.7710 -48.7710 -26.3922 -26.3922 -24.3100 -24.3100 -24.3099 -24.3099 -6.2951 -6.2932 -6.2558 -6.2504 -6.2299 -6.2276 -6.2144 -6.2119 1.2495 1.2499 1.2790 1.2828 1.2887 1.2914 1.8584 1.8589 2.5416 2.5474 2.5500 2.5529 2.6978 2.7007 2.7124 2.7132 2.7639 2.7649 3.0342 3.0401 3.0621 3.0751 3.0759 3.0810 3.9721 3.9725 4.1465 4.1869 4.1898 4.2023 4.2175 4.2240 4.2858 4.3047 4.3125 4.3347 4.4638 4.4914 4.4946 4.5306 4.5803 4.5827 4.6316 4.6386 4.7425 4.7613 4.7648 4.7798 6.1442 6.1463 6.1613 6.1624 6.2045 6.2057 8.1632 8.1725 8.1821 8.1915 9.0017 9.0171 9.0440 9.0509 9.0689 9.0794 10.4298 10.4299 10.4820 10.4849 k = 0.4268 0.5000 0.4268 ( 6262 PWs) bands (ev): -48.7710 -48.7710 -26.3922 -26.3922 -24.3099 -24.3099 -24.3098 -24.3098 -6.3052 -6.3031 -6.2562 -6.2492 -6.2283 -6.2250 -6.2095 -6.2064 1.2523 1.2526 1.2831 1.2867 1.2952 1.2989 1.8699 1.8707 2.5341 2.5410 2.5438 2.5468 2.6914 2.6945 2.7109 2.7117 2.7628 2.7641 3.0240 3.0313 3.0650 3.0805 3.0828 3.0886 3.9706 3.9713 4.1319 4.1764 4.1853 4.1972 4.2175 4.2269 4.2826 4.3062 4.3152 4.3413 4.4589 4.4916 4.4940 4.5361 4.5818 4.5862 4.6400 4.6496 4.7516 4.7735 4.7787 4.7956 6.1218 6.1244 6.1449 6.1463 6.1888 6.1905 8.1560 8.1670 8.1804 8.1915 8.9886 9.0069 9.0479 9.0558 9.0803 9.0924 10.4245 10.4246 10.4981 10.5012 k = 0.4146 0.5000 0.4146 ( 6270 PWs) bands (ev): -48.7711 -48.7711 -26.3922 -26.3922 -24.3099 -24.3099 -24.3098 -24.3098 -6.3161 -6.3139 -6.2569 -6.2484 -6.2260 -6.2217 -6.2046 -6.2008 1.2545 1.2548 1.2888 1.2917 1.3029 1.3078 1.8830 1.8842 2.5259 2.5339 2.5367 2.5399 2.6839 2.6871 2.7085 2.7094 2.7627 2.7642 3.0124 3.0210 3.0688 3.0865 3.0909 3.0971 3.9685 3.9693 4.1178 4.1652 4.1805 4.1916 4.2177 4.2299 4.2793 4.3076 4.3179 4.3468 4.4547 4.4884 4.4983 4.5413 4.5843 4.5910 4.6491 4.6612 4.7626 4.7862 4.7947 4.8119 6.0965 6.0997 6.1259 6.1275 6.1712 6.1734 8.1492 8.1618 8.1786 8.1913 8.9732 8.9941 9.0514 9.0603 9.0911 9.1049 10.4193 10.4197 10.5176 10.5209 k = 0.4024 0.5000 0.4024 ( 6262 PWs) bands (ev): -48.7710 -48.7710 -26.3922 -26.3922 -24.3099 -24.3099 -24.3097 -24.3097 -6.3277 -6.3254 -6.2581 -6.2483 -6.2228 -6.2178 -6.1993 -6.1950 1.2556 1.2567 1.2961 1.2977 1.3117 1.3179 1.8974 1.8992 2.5172 2.5263 2.5290 2.5323 2.6753 2.6787 2.7052 2.7064 2.7638 2.7651 2.9993 3.0092 3.0734 3.0934 3.0999 3.1063 3.9653 3.9661 4.1046 4.1538 4.1757 4.1857 4.2179 4.2331 4.2763 4.3090 4.3205 4.3513 4.4516 4.4853 4.5040 4.5464 4.5876 4.5965 4.6590 4.6733 4.7753 4.7987 4.8123 4.8283 6.0690 6.0729 6.1046 6.1063 6.1520 6.1546 8.1431 8.1571 8.1765 8.1907 8.9555 8.9787 9.0539 9.0638 9.1007 9.1161 10.4149 10.4157 10.5407 10.5441 k = 0.3902 0.5000 0.3902 ( 6262 PWs) bands (ev): -48.7710 -48.7710 -26.3921 -26.3921 -24.3099 -24.3099 -24.3096 -24.3096 -6.3398 -6.3375 -6.2597 -6.2490 -6.2188 -6.2131 -6.1939 -6.1890 1.2558 1.2579 1.3046 1.3048 1.3218 1.3292 1.9129 1.9154 2.5083 2.5182 2.5207 2.5241 2.6659 2.6694 2.7012 2.7030 2.7660 2.7667 2.9851 2.9962 3.0790 3.1009 3.1097 3.1162 3.9610 3.9615 4.0929 4.1428 4.1709 4.1796 4.2179 4.2363 4.2736 4.3102 4.3229 4.3546 4.4496 4.4828 4.5109 4.5517 4.5914 4.6023 4.6697 4.6856 4.7895 4.8106 4.8310 4.8448 6.0400 6.0445 6.0815 6.0832 6.1311 6.1339 8.1380 8.1534 8.1742 8.1897 8.9353 8.9607 9.0549 9.0657 9.1084 9.1254 10.4118 10.4130 10.5676 10.5711 k = 0.3780 0.5000 0.3780 ( 6282 PWs) bands (ev): -48.7711 -48.7711 -26.3921 -26.3921 -24.3098 -24.3098 -24.3095 -24.3095 -6.3525 -6.3502 -6.2619 -6.2506 -6.2140 -6.2078 -6.1881 -6.1828 1.2553 1.2583 1.3129 1.3139 1.3330 1.3416 1.9293 1.9325 2.4991 2.5098 2.5121 2.5154 2.6556 2.6592 2.6968 2.6994 2.7691 2.7692 2.9697 2.9819 3.0855 3.1092 3.1203 3.1267 3.9550 3.9552 4.0831 4.1327 4.1662 4.1735 4.2175 4.2393 4.2713 4.3112 4.3249 4.3567 4.4492 4.4808 4.5189 4.5572 4.5954 4.6081 4.6812 4.6980 4.8050 4.8214 4.8489 4.8625 6.0102 6.0152 6.0571 6.0584 6.1086 6.1114 8.1341 8.1509 8.1717 8.1883 8.9128 8.9401 9.0541 9.0657 9.1137 9.1322 10.4102 10.4118 10.5985 10.6020 k = 0.3659 0.5000 0.3659 ( 6294 PWs) bands (ev): -48.7712 -48.7712 -26.3920 -26.3920 -24.3098 -24.3098 -24.3094 -24.3094 -6.3657 -6.3634 -6.2647 -6.2529 -6.2084 -6.2019 -6.1820 -6.1764 1.2540 1.2580 1.3216 1.3238 1.3455 1.3549 1.9461 1.9502 2.4898 2.5013 2.5033 2.5066 2.6446 2.6485 2.6926 2.6960 2.7721 2.7731 2.9533 2.9667 3.0930 3.1182 3.1316 3.1377 3.9467 3.9478 4.0752 4.1238 4.1616 4.1676 4.2166 4.2423 4.2697 4.3121 4.3265 4.3577 4.4506 4.4798 4.5277 4.5630 4.5995 4.6137 4.6936 4.7105 4.8214 4.8311 4.8637 4.8831 5.9801 5.9857 6.0317 6.0326 6.0846 6.0872 8.1316 8.1496 8.1689 8.1865 8.8882 8.9169 9.0509 9.0633 9.1166 9.1365 10.4105 10.4125 10.6335 10.6371 k = 0.3537 0.5000 0.3537 ( 6294 PWs) bands (ev): -48.7712 -48.7712 -26.3920 -26.3920 -24.3098 -24.3098 -24.3093 -24.3093 -6.3794 -6.3771 -6.2679 -6.2559 -6.2022 -6.1954 -6.1755 -6.1696 1.2520 1.2568 1.3309 1.3340 1.3590 1.3690 1.9631 1.9682 2.4806 2.4928 2.4944 2.4976 2.6331 2.6372 2.6888 2.6931 2.7756 2.7777 2.9362 2.9507 3.1014 3.1279 3.1434 3.1491 3.9366 3.9390 4.0693 4.1163 4.1572 4.1621 4.2148 4.2451 4.2691 4.3128 4.3277 4.3577 4.4538 4.4799 4.5373 4.5692 4.6033 4.6191 4.7066 4.7230 4.8355 4.8422 4.8752 4.9062 5.9504 5.9564 6.0060 6.0060 6.0593 6.0611 8.1306 8.1498 8.1660 8.1843 8.8617 8.8914 9.0451 9.0581 9.1169 9.1382 10.4127 10.4150 10.6727 10.6762 k = 0.3415 0.5000 0.3415 ( 6302 PWs) bands (ev): -48.7713 -48.7713 -26.3919 -26.3919 -24.3097 -24.3097 -24.3092 -24.3092 -6.3934 -6.3912 -6.2717 -6.2595 -6.1954 -6.1885 -6.1687 -6.1626 1.2491 1.2548 1.3406 1.3443 1.3734 1.3837 1.9801 1.9862 2.4715 2.4845 2.4857 2.4886 2.6214 2.6256 2.6858 2.6912 2.7796 2.7828 2.9184 2.9340 3.1107 3.1384 3.1557 3.1609 3.9251 3.9287 4.0651 4.1100 4.1530 4.1572 4.2121 4.2477 4.2695 4.3133 4.3284 4.3568 4.4589 4.4810 4.5476 4.5758 4.6068 4.6239 4.7201 4.7354 4.8420 4.8597 4.8838 4.9308 5.9215 5.9279 5.9789 5.9805 6.0328 6.0334 8.1311 8.1513 8.1627 8.1816 8.8336 8.8638 9.0365 9.0499 9.1145 9.1371 10.4167 10.4192 10.7158 10.7193 k = 0.3293 0.5000 0.3293 ( 6290 PWs) bands (ev): -48.7712 -48.7712 -26.3919 -26.3919 -24.3097 -24.3097 -24.3091 -24.3091 -6.4077 -6.4056 -6.2759 -6.2636 -6.1882 -6.1810 -6.1615 -6.1554 1.2455 1.2518 1.3506 1.3546 1.3886 1.3989 1.9966 2.0038 2.4627 2.4764 2.4773 2.4798 2.6095 2.6139 2.6838 2.6902 2.7839 2.7882 2.9003 2.9170 3.1210 3.1495 3.1685 3.1730 3.9127 3.9173 4.0621 4.1048 4.1488 4.1530 4.2085 4.2500 4.2711 4.3136 4.3287 4.3550 4.4657 4.4834 4.5585 4.5828 4.6099 4.6283 4.7339 4.7479 4.8453 4.8791 4.8898 4.9565 5.8936 5.9003 5.9517 5.9555 6.0042 6.0057 8.1331 8.1541 8.1594 8.1787 8.8043 8.8344 9.0248 9.0387 9.1097 9.1336 10.4225 10.4252 10.7629 10.7663 k = 0.3171 0.5000 0.3171 ( 6292 PWs) bands (ev): -48.7712 -48.7712 -26.3918 -26.3918 -24.3096 -24.3096 -24.3089 -24.3089 -6.4222 -6.4202 -6.2805 -6.2683 -6.1806 -6.1732 -6.1541 -6.1479 1.2410 1.2479 1.3606 1.3648 1.4044 1.4144 2.0125 2.0208 2.4542 2.4687 2.4691 2.4712 2.5975 2.6020 2.6831 2.6905 2.7885 2.7940 2.8821 2.8997 3.1323 3.1613 3.1818 3.1855 3.8996 3.9050 4.0600 4.1004 4.1447 4.1496 4.2041 4.2520 4.2735 4.3137 4.3285 4.3527 4.4740 4.4868 4.5698 4.5902 4.6125 4.6321 4.7477 4.7602 4.8461 4.8930 4.8993 4.9827 5.8669 5.8736 5.9244 5.9317 5.9736 5.9786 8.1363 8.1560 8.1575 8.1759 8.7743 8.8038 9.0101 9.0243 9.1026 9.1277 10.4298 10.4326 10.8135 10.8170 k = 0.3049 0.5000 0.3049 ( 6288 PWs) bands (ev): -48.7712 -48.7712 -26.3917 -26.3917 -24.3096 -24.3096 -24.3088 -24.3088 -6.4370 -6.4351 -6.2855 -6.2734 -6.1725 -6.1651 -6.1464 -6.1402 1.2355 1.2430 1.3705 1.3747 1.4205 1.4301 2.0275 2.0368 2.4461 2.4614 2.4614 2.4631 2.5857 2.5903 2.6835 2.6919 2.7935 2.8000 2.8641 2.8826 3.1444 3.1738 3.1954 3.1982 3.8863 3.8921 4.0585 4.0965 4.1407 4.1471 4.1991 4.2536 4.2768 4.3137 4.3280 4.3502 4.4835 4.4912 4.5812 4.5980 4.6148 4.6354 4.7611 4.7724 4.8448 4.8935 4.9202 5.0094 5.8412 5.8473 5.8975 5.9095 5.9420 5.9523 8.1397 8.1535 8.1591 8.1755 8.7441 8.7722 8.9924 9.0069 9.0933 9.1196 10.4384 10.4412 10.8674 10.8710 k = 0.2927 0.5000 0.2927 ( 6288 PWs) bands (ev): -48.7712 -48.7712 -26.3917 -26.3917 -24.3096 -24.3095 -24.3087 -24.3087 -6.4518 -6.4500 -6.2908 -6.2788 -6.1642 -6.1566 -6.1384 -6.1323 1.2291 1.2370 1.3801 1.3843 1.4367 1.4458 2.0416 2.0518 2.4385 2.4542 2.4547 2.4554 2.5742 2.5787 2.6852 2.6943 2.7986 2.8062 2.8468 2.8661 3.1576 3.1870 3.2094 3.2112 3.8730 3.8788 4.0574 4.0928 4.1365 4.1456 4.1935 4.2546 4.2806 4.3135 4.3271 4.3478 4.4939 4.4964 4.5919 4.6062 4.6176 4.6382 4.7735 4.7846 4.8421 4.8915 4.9415 5.0362 5.8159 5.8204 5.8715 5.8895 5.9098 5.9277 8.1399 8.1551 8.1560 8.1802 8.7143 8.7404 8.9719 8.9866 9.0822 9.1097 10.4480 10.4506 10.9241 10.9278 k = 0.2805 0.5000 0.2805 ( 6298 PWs) bands (ev): -48.7713 -48.7713 -26.3916 -26.3916 -24.3095 -24.3095 -24.3085 -24.3085 -6.4667 -6.4650 -6.2964 -6.2846 -6.1557 -6.1479 -6.1303 -6.1243 1.2217 1.2299 1.3893 1.3933 1.4528 1.4613 2.0547 2.0655 2.4315 2.4474 2.4485 2.4486 2.5629 2.5673 2.6875 2.6972 2.8041 2.8123 2.8308 2.8507 3.1717 3.2009 3.2237 3.2244 3.8598 3.8655 4.0564 4.0892 4.1322 4.1449 4.1878 4.2550 4.2847 4.3134 4.3260 4.3456 4.5022 4.5049 4.5999 4.6147 4.6223 4.6406 4.7834 4.7966 4.8397 4.8869 4.9632 5.0631 5.7905 5.7913 5.8475 5.8716 5.8784 5.9058 8.1356 8.1493 8.1619 8.1885 8.6855 8.7089 8.9488 8.9635 9.0695 9.0980 10.4582 10.4604 10.9831 10.9870 k = 0.2683 0.5000 0.2683 ( 6290 PWs) bands (ev): -48.7712 -48.7712 -26.3915 -26.3915 -24.3095 -24.3095 -24.3084 -24.3084 -6.4815 -6.4799 -6.3021 -6.2906 -6.1469 -6.1390 -6.1220 -6.1161 1.2133 1.2218 1.3981 1.4018 1.4688 1.4765 2.0666 2.0781 2.4251 2.4411 2.4424 2.4431 2.5521 2.5563 2.6901 2.6998 2.8097 2.8171 2.8181 2.8376 3.1868 3.2154 3.2379 3.2384 3.8471 3.8522 4.0555 4.0858 4.1278 4.1450 4.1819 4.2548 4.2890 4.3134 4.3247 4.3439 4.5082 4.5164 4.6034 4.6237 4.6308 4.6426 4.7879 4.8085 4.8409 4.8804 4.9852 5.0899 5.7591 5.7638 5.8262 5.8462 5.8586 5.8871 8.1290 8.1401 8.1713 8.1991 8.6584 8.6783 8.9233 8.9380 9.0553 9.0849 10.4685 10.4704 11.0438 11.0480 k = 0.2561 0.5000 0.2561 ( 6290 PWs) bands (ev): -48.7712 -48.7712 -26.3915 -26.3915 -24.3094 -24.3094 -24.3083 -24.3082 -6.4963 -6.4948 -6.3081 -6.2968 -6.1381 -6.1300 -6.1135 -6.1079 1.2039 1.2126 1.4061 1.4095 1.4842 1.4912 2.0776 2.0895 2.4195 2.4353 2.4372 2.4382 2.5418 2.5457 2.6920 2.7006 2.8066 2.8158 2.8199 2.8310 3.2028 3.2307 3.2517 3.2534 3.8349 3.8393 4.0544 4.0824 4.1233 4.1456 4.1761 4.2535 4.2928 4.3139 4.3236 4.3429 4.5141 4.5280 4.6033 4.6331 4.6418 4.6446 4.7846 4.8197 4.8484 4.8726 5.0074 5.1163 5.7235 5.7348 5.8077 5.8179 5.8469 5.8719 8.1207 8.1288 8.1826 8.2113 8.6336 8.6494 8.8958 8.9104 9.0400 9.0706 10.4787 10.4800 11.1056 11.1102 k = 0.2439 0.5000 0.2439 ( 6296 PWs) bands (ev): -48.7713 -48.7713 -26.3914 -26.3914 -24.3094 -24.3094 -24.3081 -24.3081 -6.5109 -6.5095 -6.3141 -6.3031 -6.1291 -6.1209 -6.1050 -6.0996 1.1936 1.2024 1.4134 1.4164 1.4992 1.5052 2.0877 2.0998 2.4148 2.4302 2.4329 2.4340 2.5320 2.5355 2.6921 2.6984 2.8011 2.8149 2.8219 2.8349 3.2198 3.2466 3.2657 3.2688 3.8232 3.8267 4.0533 4.0791 4.1186 4.1465 4.1706 4.2513 4.2955 4.3154 4.3228 4.3424 4.5195 4.5395 4.6013 4.6426 4.6468 4.6533 4.7754 4.8288 4.8608 4.8655 5.0297 5.1422 5.6853 5.7027 5.7916 5.7929 5.8383 5.8601 8.1107 8.1152 8.1953 8.2250 8.6117 8.6227 8.8665 8.8810 9.0236 9.0552 10.4883 10.4890 11.1676 11.1728 k = 0.2317 0.5000 0.2317 ( 6312 PWs) bands (ev): -48.7714 -48.7714 -26.3914 -26.3914 -24.3093 -24.3093 -24.3080 -24.3080 -6.5252 -6.5239 -6.3202 -6.3096 -6.1201 -6.1118 -6.0964 -6.0914 1.1824 1.1913 1.4198 1.4224 1.5133 1.5186 2.0969 2.1090 2.4109 2.4258 2.4293 2.4304 2.5228 2.5259 2.6895 2.6925 2.8008 2.8117 2.8282 2.8411 3.2376 3.2631 3.2800 3.2845 3.8120 3.8145 4.0518 4.0759 4.1140 4.1475 4.1654 4.2480 4.2966 4.3184 4.3227 4.3425 4.5240 4.5503 4.5983 4.6484 4.6533 4.6644 4.7629 4.8308 4.8643 4.8761 5.0519 5.1674 5.6449 5.6676 5.7716 5.7776 5.8323 5.8513 8.0986 8.0994 8.2092 8.2399 8.5931 8.5989 8.8359 8.8501 9.0064 9.0389 10.4968 10.4969 11.2292 11.2350 k = 0.2195 0.5000 0.2195 ( 6312 PWs) bands (ev): -48.7714 -48.7714 -26.3913 -26.3913 -24.3093 -24.3093 -24.3078 -24.3078 -6.5393 -6.5381 -6.3263 -6.3160 -6.1111 -6.1027 -6.0879 -6.0832 1.1705 1.1793 1.4252 1.4276 1.5267 1.5311 2.1053 2.1174 2.4080 2.4221 2.4266 2.4275 2.5141 2.5168 2.6835 2.6841 2.8049 2.8124 2.8347 2.8478 3.2563 3.2801 3.2947 3.3007 3.8015 3.8029 4.0500 4.0731 4.1097 4.1486 4.1606 4.2438 4.2962 4.3225 4.3232 4.3430 4.5273 4.5593 4.5956 4.6513 4.6634 4.6741 4.7492 4.8233 4.8722 4.8930 5.0741 5.1916 5.6030 5.6299 5.7539 5.7657 5.8286 5.8453 8.0812 8.0845 8.2244 8.2560 8.5780 8.5784 8.8043 8.8181 8.9884 9.0219 10.5033 10.5041 11.2893 11.2960 k = 0.2073 0.5000 0.2073 ( 6304 PWs) bands (ev): -48.7713 -48.7713 -26.3912 -26.3912 -24.3092 -24.3092 -24.3077 -24.3077 -6.5530 -6.5519 -6.3323 -6.3225 -6.1022 -6.0938 -6.0794 -6.0751 1.1579 1.1666 1.4298 1.4317 1.5391 1.5427 2.1131 2.1249 2.4061 2.4190 2.4248 2.4251 2.5061 2.5083 2.6728 2.6763 2.8121 2.8165 2.8415 2.8546 3.2757 3.2975 3.3097 3.3171 3.7915 3.7919 4.0478 4.0705 4.1060 4.1496 4.1563 4.2389 4.2947 4.3243 4.3274 4.3441 4.5293 4.5638 4.5961 4.6546 4.6737 4.6808 4.7367 4.8113 4.8844 4.9109 5.0961 5.2146 5.5602 5.5906 5.7395 5.7559 5.8268 5.8415 8.0611 8.0681 8.2407 8.2732 8.5616 8.5666 8.7721 8.7853 8.9699 9.0042 10.5081 10.5096 11.3473 11.3549 k = 0.1951 0.5000 0.1951 ( 6304 PWs) bands (ev): -48.7713 -48.7713 -26.3912 -26.3912 -24.3092 -24.3092 -24.3076 -24.3076 -6.5662 -6.5652 -6.3382 -6.3288 -6.0935 -6.0850 -6.0711 -6.0671 1.1448 1.1533 1.4334 1.4350 1.5505 1.5533 2.1202 2.1318 2.4051 2.4166 2.4232 2.4237 2.4987 2.5004 2.6614 2.6672 2.8209 2.8229 2.8484 2.8614 3.2955 3.3151 3.3253 3.3340 3.7813 3.7821 4.0452 4.0681 4.1031 4.1504 4.1524 4.2336 4.2923 4.3259 4.3325 4.3457 4.5297 4.5615 4.6016 4.6587 4.6813 4.6836 4.7294 4.7981 4.8983 4.9292 5.1177 5.2359 5.5167 5.5502 5.7282 5.7485 5.8265 5.8396 8.0392 8.0497 8.2579 8.2913 8.5486 8.5587 8.7397 8.7522 8.9510 8.9860 10.5109 10.5132 11.4020 11.4107 k = 0.1829 0.5000 0.1829 ( 6308 PWs) bands (ev): -48.7714 -48.7714 -26.3911 -26.3911 -24.3091 -24.3091 -24.3074 -24.3074 -6.5790 -6.5781 -6.3441 -6.3351 -6.0849 -6.0765 -6.0629 -6.0594 1.1314 1.1395 1.4361 1.4373 1.5608 1.5629 2.1267 2.1378 2.4050 2.4147 2.4219 2.4235 2.4920 2.4931 2.6502 2.6576 2.8303 2.8307 2.8556 2.8682 3.3157 3.3324 3.3416 3.3512 3.7714 3.7731 4.0423 4.0662 4.1014 4.1490 4.1509 4.2281 4.2891 4.3278 4.3375 4.3476 4.5288 4.5544 4.6096 4.6633 4.6737 4.6922 4.7299 4.7855 4.9129 4.9475 5.1386 5.2552 5.4730 5.5094 5.7199 5.7437 5.8274 5.8390 8.0159 8.0295 8.2759 8.3103 8.5392 8.5539 8.7076 8.7191 8.9317 8.9674 10.5115 10.5145 11.4526 11.4625 k = 0.1707 0.5000 0.1707 ( 6300 PWs) bands (ev): -48.7713 -48.7713 -26.3910 -26.3910 -24.3091 -24.3091 -24.3073 -24.3073 -6.5912 -6.5904 -6.3497 -6.3412 -6.0766 -6.0682 -6.0549 -6.0518 1.1177 1.1256 1.4379 1.4388 1.5701 1.5715 2.1325 2.1433 2.4059 2.4133 2.4209 2.4240 2.4858 2.4865 2.6397 2.6482 2.8391 2.8398 2.8629 2.8749 3.3359 3.3492 3.3589 3.3688 3.7620 3.7645 4.0393 4.0645 4.1008 4.1460 4.1512 4.2227 4.2853 4.3299 4.3423 4.3498 4.5266 4.5448 4.6158 4.6636 4.6684 4.6982 4.7357 4.7755 4.9280 4.9654 5.1585 5.2720 5.4296 5.4685 5.7148 5.7417 5.8294 5.8395 7.9919 8.0077 8.2946 8.3300 8.5330 8.5517 8.6763 8.6866 8.9120 8.9484 10.5098 10.5135 11.4980 11.5092 k = 0.1585 0.5000 0.1585 ( 6300 PWs) bands (ev): -48.7713 -48.7713 -26.3910 -26.3910 -24.3090 -24.3090 -24.3072 -24.3072 -6.6028 -6.6021 -6.3551 -6.3471 -6.0685 -6.0604 -6.0472 -6.0445 1.1041 1.1115 1.4389 1.4395 1.5782 1.5791 2.1377 2.1480 2.4074 2.4123 2.4203 2.4252 2.4803 2.4805 2.6303 2.6395 2.8475 2.8488 2.8704 2.8815 3.3560 3.3654 3.3769 3.3867 3.7530 3.7561 4.0365 4.0633 4.1013 4.1435 4.1511 4.2176 4.2808 4.3321 4.3466 4.3520 4.5235 4.5337 4.6136 4.6599 4.6728 4.7000 4.7435 4.7708 4.9433 4.9826 5.1770 5.2858 5.3869 5.4280 5.7129 5.7427 5.8320 5.8407 7.9675 7.9849 8.3138 8.3502 8.5292 8.5514 8.6468 8.6554 8.8921 8.9291 10.5058 10.5101 11.5374 11.5499 k = 0.1463 0.5000 0.1463 ( 6308 PWs) bands (ev): -48.7714 -48.7714 -26.3909 -26.3909 -24.3090 -24.3090 -24.3071 -24.3071 -6.6138 -6.6132 -6.3602 -6.3528 -6.0608 -6.0529 -6.0399 -6.0375 1.0906 1.0975 1.4392 1.4396 1.5854 1.5857 2.1421 2.1519 2.4096 2.4117 2.4200 2.4269 2.4751 2.4753 2.6222 2.6318 2.8557 2.8571 2.8778 2.8878 3.3756 3.3812 3.3952 3.4048 3.7445 3.7480 4.0343 4.0624 4.1029 4.1415 4.1509 4.2130 4.2757 4.3345 4.3504 4.3541 4.5195 4.5217 4.6008 4.6658 4.6734 4.6994 4.7521 4.7725 4.9584 4.9987 5.1936 5.2956 5.3460 5.3883 5.7142 5.7469 5.8352 5.8424 7.9432 7.9616 8.3334 8.3709 8.5264 8.5513 8.6202 8.6269 8.8720 8.9094 10.4995 10.5042 11.5701 11.5837 k = 0.1341 0.5000 0.1341 ( 6312 PWs) bands (ev): -48.7714 -48.7714 -26.3909 -26.3909 -24.3090 -24.3090 -24.3070 -24.3070 -6.6241 -6.6235 -6.3650 -6.3581 -6.0535 -6.0458 -6.0329 -6.0309 1.0774 1.0839 1.4390 1.4392 1.5915 1.5915 2.1459 2.1551 2.4113 2.4122 2.4201 2.4290 2.4704 2.4709 2.6156 2.6252 2.8633 2.8646 2.8852 2.8939 3.3945 3.3968 3.4135 3.4229 3.7364 3.7400 4.0331 4.0619 4.1055 4.1400 4.1504 4.2091 4.2700 4.3370 4.3537 4.3556 4.5091 4.5150 4.5831 4.6658 4.6767 4.7024 4.7611 4.7792 4.9732 5.0135 5.2079 5.2923 5.3161 5.3497 5.7190 5.7540 5.8387 5.8445 7.9195 7.9382 8.3530 8.3916 8.5223 8.5483 8.5990 8.6045 8.8517 8.8895 10.4911 10.4961 11.5958 11.6103 k = 0.1220 0.5000 0.1220 ( 6318 PWs) bands (ev): -48.7714 -48.7714 -26.3908 -26.3908 -24.3089 -24.3089 -24.3069 -24.3069 -6.6336 -6.6331 -6.3695 -6.3632 -6.0466 -6.0393 -6.0263 -6.0247 1.0647 1.0707 1.4382 1.4383 1.5963 1.5967 2.1489 2.1575 2.4112 2.4147 2.4206 2.4314 2.4663 2.4671 2.6103 2.6199 2.8702 2.8715 2.8922 2.8996 3.4120 3.4126 3.4314 3.4410 3.7286 3.7320 4.0331 4.0617 4.1088 4.1391 4.1497 4.2061 4.2638 4.3397 4.3563 4.3566 4.4966 4.5101 4.5636 4.6516 4.6895 4.7093 4.7700 4.7887 4.9874 5.0268 5.2193 5.2597 5.3130 5.3138 5.7269 5.7638 5.8424 5.8467 7.8968 7.9153 8.3722 8.4120 8.5140 8.5370 8.5863 8.5938 8.8312 8.8694 10.4808 10.4860 11.6144 11.6292 k = 0.1098 0.5000 0.1098 ( 6318 PWs) bands (ev): -48.7714 -48.7714 -26.3908 -26.3908 -24.3089 -24.3089 -24.3068 -24.3068 -6.6424 -6.6419 -6.3736 -6.3679 -6.0402 -6.0334 -6.0202 -6.0189 1.0527 1.0582 1.4371 1.4371 1.6005 1.6010 2.1512 2.1592 2.4112 2.4166 2.4222 2.4339 2.4628 2.4638 2.6065 2.6158 2.8766 2.8776 2.8987 2.9050 3.4270 3.4298 3.4488 3.4585 3.7211 3.7240 4.0345 4.0620 4.1129 4.1389 4.1490 4.2037 4.2573 4.3426 4.3556 4.3589 4.4845 4.5050 4.5439 4.6342 4.7031 4.7182 4.7789 4.7996 5.0007 5.0386 5.2234 5.2266 5.2795 5.3143 5.7377 5.7759 5.8463 5.8490 7.8754 7.8932 8.3899 8.4305 8.5013 8.5195 8.5829 8.5936 8.8106 8.8491 10.4691 10.4742 11.6261 11.6407 k = 0.0976 0.5000 0.0976 ( 6324 PWs) bands (ev): -48.7715 -48.7715 -26.3907 -26.3907 -24.3089 -24.3089 -24.3067 -24.3067 -6.6503 -6.6499 -6.3773 -6.3722 -6.0343 -6.0280 -6.0146 -6.0135 1.0415 1.0464 1.4356 1.4358 1.6039 1.6046 2.1529 2.1602 2.4113 2.4174 2.4249 2.4364 2.4599 2.4611 2.6039 2.6127 2.8821 2.8831 2.9047 2.9098 3.4415 3.4459 3.4654 3.4753 3.7138 3.7159 4.0373 4.0626 4.1175 4.1395 4.1483 4.2021 4.2506 4.3457 4.3530 4.3609 4.4735 4.4997 4.5246 4.6151 4.7173 4.7281 4.7874 4.8108 5.0128 5.0486 5.1891 5.2239 5.2555 5.3129 5.7508 5.7893 5.8502 5.8512 7.8557 7.8723 8.4038 8.4431 8.4895 8.5058 8.5856 8.5981 8.7899 8.8285 10.4563 10.4613 11.6316 11.6452 k = 0.0854 0.5000 0.0854 ( 6324 PWs) bands (ev): -48.7715 -48.7715 -26.3907 -26.3907 -24.3089 -24.3088 -24.3066 -24.3066 -6.6574 -6.6571 -6.3806 -6.3761 -6.0290 -6.0233 -6.0095 -6.0087 1.0313 1.0356 1.4341 1.4343 1.6067 1.6075 2.1540 2.1606 2.4116 2.4176 2.4280 2.4387 2.4577 2.4589 2.6025 2.6107 2.8871 2.8879 2.9099 2.9142 3.4553 3.4608 3.4810 3.4911 3.7067 3.7080 4.0414 4.0634 4.1226 4.1412 4.1477 4.2009 4.2441 4.3463 4.3506 4.3625 4.4642 4.4943 4.5065 4.5951 4.7318 4.7386 4.7953 4.8219 5.0232 5.0567 5.1579 5.2024 5.2505 5.3094 5.7654 5.8033 5.8534 5.8541 7.8378 7.8530 8.4096 8.4414 8.4856 8.5070 8.5917 8.6043 8.7691 8.8077 10.4431 10.4478 11.6320 11.6436 k = 0.0732 0.5000 0.0732 ( 6324 PWs) bands (ev): -48.7715 -48.7715 -26.3907 -26.3907 -24.3088 -24.3088 -24.3065 -24.3065 -6.6636 -6.6633 -6.3835 -6.3796 -6.0242 -6.0192 -6.0051 -6.0044 1.0222 1.0260 1.4326 1.4329 1.6090 1.6098 2.1547 2.1605 2.4119 2.4176 2.4311 2.4406 2.4561 2.4573 2.6020 2.6094 2.8913 2.8921 2.9145 2.9180 3.4684 3.4743 3.4954 3.5054 3.6999 3.7001 4.0464 4.0646 4.1281 4.1438 4.1473 4.1999 4.2381 4.3385 4.3538 4.3639 4.4570 4.4890 4.4904 4.5747 4.7465 4.7495 4.8025 4.8323 5.0313 5.0628 5.1311 5.1758 5.2517 5.3043 5.7807 5.8170 5.8556 5.8580 7.8221 7.8355 8.4051 8.4280 8.4933 8.5216 8.5991 8.6109 8.7482 8.7867 10.4301 10.4343 11.6283 11.6373 k = 0.0610 0.5000 0.0610 ( 6332 PWs) bands (ev): -48.7715 -48.7715 -26.3907 -26.3907 -24.3088 -24.3088 -24.3065 -24.3065 -6.6689 -6.6687 -6.3859 -6.3827 -6.0200 -6.0157 -6.0012 -6.0007 1.0144 1.0175 1.4312 1.4314 1.6108 1.6116 2.1552 2.1601 2.4123 2.4173 2.4339 2.4420 2.4551 2.4563 2.6022 2.6086 2.8949 2.8956 2.9183 2.9211 3.4803 3.4862 3.5085 3.5181 3.6926 3.6933 4.0518 4.0659 4.1340 4.1471 4.1472 4.1987 4.2332 4.3272 4.3578 4.3650 4.4522 4.4771 4.4837 4.5542 4.7603 4.7612 4.8086 4.8412 5.0358 5.0665 5.1106 5.1511 5.2533 5.2981 5.7956 5.8291 5.8581 5.8618 7.8086 7.8201 8.3950 8.4118 8.5086 8.5412 8.6070 8.6170 8.7274 8.7654 10.4178 10.4215 11.6220 11.6281 k = 0.0488 0.5000 0.0488 ( 6336 PWs) bands (ev): -48.7715 -48.7715 -26.3906 -26.3906 -24.3088 -24.3088 -24.3064 -24.3064 -6.6732 -6.6731 -6.3879 -6.3852 -6.0165 -6.0130 -5.9981 -5.9977 1.0079 1.0104 1.4299 1.4301 1.6122 1.6129 2.1554 2.1594 2.4127 2.4170 2.4363 2.4427 2.4546 2.4558 2.6029 2.6082 2.8978 2.8985 2.9215 2.9237 3.4909 3.4963 3.5200 3.5289 3.6857 3.6871 4.0572 4.0673 4.1404 4.1474 4.1513 4.1970 4.2301 4.3132 4.3618 4.3661 4.4494 4.4673 4.4786 4.5340 4.7708 4.7755 4.8135 4.8479 5.0359 5.0668 5.0980 5.1303 5.2548 5.2912 5.8094 5.8383 5.8614 5.8655 7.7976 7.8070 8.3841 8.3966 8.5274 8.5623 8.6145 8.6221 8.7067 8.7441 10.4069 10.4099 11.6145 11.6180 k = 0.0366 0.5000 0.0366 ( 6348 PWs) bands (ev): -48.7716 -48.7716 -26.3906 -26.3906 -24.3088 -24.3088 -24.3064 -24.3064 -6.6766 -6.6765 -6.3893 -6.3873 -6.0136 -6.0110 -5.9955 -5.9953 1.0028 1.0047 1.4289 1.4290 1.6133 1.6138 2.1556 2.1586 2.4132 2.4165 2.4381 2.4428 2.4545 2.4556 2.6038 2.6079 2.9001 2.9007 2.9239 2.9256 3.4999 3.5043 3.5298 3.5373 3.6798 3.6815 4.0619 4.0685 4.1464 4.1480 4.1561 4.1943 4.2298 4.2975 4.3653 4.3671 4.4487 4.4617 4.4737 4.5147 4.7806 4.7886 4.8176 4.8513 5.0326 5.0628 5.0933 5.1152 5.2565 5.2841 5.8211 5.8436 5.8658 5.8690 7.7891 7.7963 8.3748 8.3837 8.5474 8.5837 8.6214 8.6258 8.6865 8.7226 10.3978 10.4002 11.6071 11.6088 k = 0.0244 0.5000 0.0244 ( 6346 PWs) bands (ev): -48.7716 -48.7716 -26.3906 -26.3906 -24.3088 -24.3088 -24.3064 -24.3064 -6.6791 -6.6790 -6.3902 -6.3889 -6.0114 -6.0097 -5.9937 -5.9936 0.9992 1.0005 1.4281 1.4282 1.6141 1.6144 2.1558 2.1578 2.4138 2.4160 2.4396 2.4426 2.4548 2.4557 2.6049 2.6077 2.9018 2.9022 2.9258 2.9269 3.5068 3.5099 3.5377 3.5432 3.6754 3.6770 4.0655 4.0694 4.1490 4.1502 4.1625 4.1904 4.2332 4.2812 4.3679 4.3681 4.4507 4.4599 4.4691 4.4967 4.7894 4.7987 4.8222 4.8509 5.0299 5.0544 5.0933 5.1062 5.2588 5.2774 5.8306 5.8454 5.8703 5.8721 7.7834 7.7882 8.3680 8.3738 8.5678 8.6038 8.6272 8.6277 8.6681 8.7011 10.3911 10.3927 11.6010 11.6017 k = 0.0122 0.5000 0.0122 ( 6350 PWs) bands (ev): -48.7716 -48.7716 -26.3906 -26.3906 -24.3088 -24.3088 -24.3064 -24.3064 -6.6805 -6.6805 -6.3907 -6.3900 -6.0099 -6.0090 -5.9926 -5.9925 0.9971 0.9978 1.4276 1.4277 1.6146 1.6147 2.1561 2.1571 2.4143 2.4155 2.4406 2.4421 2.4552 2.4557 2.6059 2.6073 2.9029 2.9031 2.9270 2.9275 3.5114 3.5130 3.5433 3.5462 3.6728 3.6737 4.0680 4.0697 4.1501 4.1515 4.1704 4.1850 4.2405 4.2655 4.3689 4.3692 4.4558 4.4612 4.4650 4.4808 4.7965 4.8028 4.8295 4.8463 5.0307 5.0445 5.0952 5.1012 5.2619 5.2713 5.8375 5.8448 5.8736 5.8743 7.7804 7.7828 8.3643 8.3672 8.5877 8.6146 8.6312 8.6318 8.6556 8.6801 10.3872 10.3880 11.5970 11.5972 k = 0.0000 0.5000-0.0000 ( 6382 PWs) bands (ev): -48.7718 -48.7718 -26.3906 -26.3906 -24.3088 -24.3088 -24.3064 -24.3064 -6.6810 -6.6810 -6.3906 -6.3906 -6.0091 -6.0091 -5.9922 -5.9922 0.9967 0.9967 1.4275 1.4275 1.6148 1.6148 2.1565 2.1565 2.4149 2.4149 2.4415 2.4415 2.4555 2.4555 2.6066 2.6066 2.9033 2.9033 2.9275 2.9275 3.5135 3.5135 3.5462 3.5462 3.6722 3.6722 4.0693 4.0693 4.1511 4.1511 4.1781 4.1781 4.2515 4.2515 4.3693 4.3693 4.4610 4.4610 4.4679 4.4679 4.8014 4.8014 4.8385 4.8385 5.0358 5.0358 5.0978 5.0978 5.2661 5.2661 5.8421 5.8421 5.8749 5.8749 7.7802 7.7802 8.3640 8.3640 8.6053 8.6053 8.6347 8.6347 8.6613 8.6613 10.3861 10.3861 11.5956 11.5956 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -48.7711 -48.7711 -26.3914 -26.3914 -24.3100 -24.3100 -24.3076 -24.3076 -6.4119 -6.4119 -6.2670 -6.2670 -6.2412 -6.2412 -6.1404 -6.1404 1.3078 1.3078 1.4627 1.4627 1.4752 1.4752 2.4270 2.4270 2.4461 2.4461 2.5241 2.5241 2.5257 2.5257 2.5302 2.5302 2.5863 2.5863 2.8918 2.8918 3.0891 3.0891 3.1121 3.1121 3.8216 3.8216 4.1372 4.1372 4.1433 4.1433 4.1793 4.1793 4.3179 4.3179 4.3237 4.3237 4.3637 4.3637 4.7644 4.7644 4.8223 4.8223 4.8413 4.8413 4.8434 4.8434 4.9648 4.9648 5.4952 5.4952 5.4960 5.4960 6.0223 6.0223 8.2875 8.2875 8.3642 8.3642 8.3694 8.3694 8.9771 8.9771 8.9809 8.9809 11.2522 11.2522 11.2538 11.2538 k = 0.5000 0.5000 0.0172 ( 6264 PWs) bands (ev): -48.7711 -48.7711 -26.3914 -26.3914 -24.3100 -24.3100 -24.3076 -24.3076 -6.4116 -6.4116 -6.2669 -6.2669 -6.2412 -6.2412 -6.1405 -6.1405 1.3077 1.3077 1.4620 1.4620 1.4746 1.4746 2.4272 2.4272 2.4441 2.4441 2.5166 2.5166 2.5246 2.5246 2.5267 2.5267 2.6006 2.6006 2.8915 2.8915 3.0891 3.0891 3.1121 3.1121 3.8223 3.8223 4.1370 4.1370 4.1422 4.1422 4.1806 4.1806 4.3160 4.3160 4.3249 4.3249 4.3640 4.3640 4.7630 4.7630 4.8227 4.8227 4.8364 4.8364 4.8475 4.8475 4.9648 4.9648 5.4936 5.4936 5.5013 5.5013 6.0229 6.0229 8.2826 8.2826 8.3457 8.3457 8.3936 8.3936 8.9776 8.9776 8.9816 8.9816 11.2490 11.2490 11.2506 11.2506 k = 0.5000 0.5000 0.0345 ( 6272 PWs) bands (ev): -48.7711 -48.7711 -26.3914 -26.3914 -24.3100 -24.3100 -24.3076 -24.3076 -6.4108 -6.4108 -6.2668 -6.2668 -6.2412 -6.2412 -6.1409 -6.1409 1.3077 1.3077 1.4600 1.4600 1.4726 1.4726 2.4275 2.4275 2.4369 2.4369 2.4955 2.4955 2.5253 2.5253 2.5287 2.5287 2.6279 2.6279 2.8905 2.8905 3.0891 3.0891 3.1122 3.1122 3.8242 3.8242 4.1355 4.1355 4.1405 4.1405 4.1839 4.1839 4.3122 4.3122 4.3269 4.3269 4.3651 4.3651 4.7589 4.7589 4.8227 4.8227 4.8312 4.8312 4.8514 4.8514 4.9648 4.9648 5.4952 5.4952 5.5103 5.5103 6.0246 6.0246 8.2685 8.2685 8.3324 8.3324 8.4237 8.4237 8.9794 8.9794 8.9837 8.9837 11.2394 11.2394 11.2410 11.2410 k = 0.5000 0.5000 0.0517 ( 6264 PWs) bands (ev): -48.7711 -48.7711 -26.3915 -26.3915 -24.3100 -24.3100 -24.3076 -24.3076 -6.4094 -6.4094 -6.2667 -6.2667 -6.2410 -6.2410 -6.1414 -6.1414 1.3075 1.3075 1.4567 1.4567 1.4695 1.4695 2.4180 2.4180 2.4305 2.4305 2.4801 2.4801 2.5270 2.5270 2.5317 2.5317 2.6576 2.6576 2.8888 2.8888 3.0891 3.0891 3.1122 3.1122 3.8275 3.8275 4.1308 4.1308 4.1409 4.1409 4.1884 4.1884 4.3076 4.3076 4.3288 4.3288 4.3668 4.3668 4.7528 4.7528 4.8181 4.8181 4.8301 4.8301 4.8539 4.8539 4.9649 4.9649 5.5007 5.5007 5.5227 5.5227 6.0274 6.0274 8.2485 8.2485 8.3246 8.3246 8.4559 8.4559 8.9822 8.9822 8.9873 8.9873 11.2236 11.2236 11.2252 11.2252 k = 0.5000 0.5000 0.0690 ( 6280 PWs) bands (ev): -48.7712 -48.7712 -26.3915 -26.3915 -24.3100 -24.3100 -24.3077 -24.3077 -6.4074 -6.4074 -6.2664 -6.2664 -6.2409 -6.2409 -6.1422 -6.1422 1.3073 1.3073 1.4522 1.4522 1.4651 1.4651 2.3921 2.3921 2.4317 2.4317 2.4724 2.4724 2.5296 2.5296 2.5357 2.5357 2.6876 2.6876 2.8865 2.8865 3.0891 3.0891 3.1123 3.1123 3.8320 3.8320 4.1248 4.1248 4.1423 4.1423 4.1933 4.1933 4.3024 4.3024 4.3304 4.3304 4.3689 4.3689 4.7452 4.7452 4.8102 4.8102 4.8314 4.8314 4.8549 4.8549 4.9649 4.9649 5.5101 5.5101 5.5382 5.5382 6.0313 6.0313 8.2262 8.2262 8.3192 8.3192 8.4897 8.4897 8.9862 8.9862 8.9920 8.9920 11.2019 11.2019 11.2036 11.2036 k = 0.5000 0.5000 0.0862 ( 6288 PWs) bands (ev): -48.7712 -48.7712 -26.3915 -26.3915 -24.3100 -24.3100 -24.3077 -24.3077 -6.4050 -6.4050 -6.2662 -6.2662 -6.2407 -6.2407 -6.1433 -6.1433 1.3069 1.3069 1.4465 1.4465 1.4596 1.4596 2.3612 2.3612 2.4339 2.4339 2.4689 2.4689 2.5331 2.5331 2.5405 2.5405 2.7172 2.7172 2.8835 2.8835 3.0890 3.0890 3.1124 3.1124 3.8377 3.8377 4.1182 4.1182 4.1443 4.1443 4.1983 4.1983 4.2969 4.2969 4.3319 4.3319 4.3713 4.3713 4.7364 4.7364 4.8012 4.8012 4.8321 4.8321 4.8545 4.8545 4.9649 4.9649 5.5233 5.5233 5.5569 5.5569 6.0362 6.0362 8.2039 8.2039 8.3146 8.3146 8.5246 8.5246 8.9912 8.9912 8.9978 8.9978 11.1748 11.1748 11.1767 11.1767 k = 0.5000 0.5000 0.1034 ( 6300 PWs) bands (ev): -48.7713 -48.7713 -26.3915 -26.3915 -24.3100 -24.3100 -24.3078 -24.3078 -6.4020 -6.4020 -6.2658 -6.2658 -6.2404 -6.2404 -6.1445 -6.1445 1.3064 1.3064 1.4397 1.4397 1.4531 1.4531 2.3282 2.3282 2.4367 2.4367 2.4674 2.4674 2.5375 2.5375 2.5463 2.5463 2.7460 2.7460 2.8799 2.8799 3.0888 3.0888 3.1124 3.1124 3.8445 3.8445 4.1114 4.1114 4.1467 4.1467 4.2031 4.2031 4.2912 4.2912 4.3333 4.3333 4.3739 4.3739 4.7268 4.7268 4.7916 4.7916 4.8314 4.8314 4.8529 4.8529 4.9647 4.9647 5.5405 5.5405 5.5784 5.5784 6.0420 6.0420 8.1825 8.1825 8.3099 8.3099 8.5604 8.5604 8.9971 8.9971 9.0045 9.0045 11.1426 11.1426 11.1449 11.1449 k = 0.5000 0.5000 0.1207 ( 6292 PWs) bands (ev): -48.7712 -48.7712 -26.3916 -26.3916 -24.3100 -24.3100 -24.3079 -24.3079 -6.3985 -6.3985 -6.2654 -6.2654 -6.2401 -6.2401 -6.1460 -6.1460 1.3057 1.3057 1.4319 1.4319 1.4456 1.4456 2.2945 2.2945 2.4399 2.4399 2.4669 2.4669 2.5428 2.5428 2.5528 2.5528 2.7738 2.7738 2.8758 2.8758 3.0886 3.0886 3.1123 3.1123 3.8523 3.8523 4.1047 4.1047 4.1496 4.1496 4.2077 4.2077 4.2856 4.2856 4.3348 4.3348 4.3768 4.3768 4.7164 4.7164 4.7817 4.7817 4.8286 4.8286 4.8504 4.8504 4.9642 4.9642 5.5614 5.5614 5.6028 5.6028 6.0488 6.0488 8.1626 8.1626 8.3050 8.3050 8.5970 8.5970 9.0037 9.0037 9.0119 9.0119 11.1062 11.1062 11.1089 11.1089 k = 0.5000 0.5000 0.1379 ( 6292 PWs) bands (ev): -48.7712 -48.7712 -26.3916 -26.3916 -24.3100 -24.3100 -24.3080 -24.3080 -6.3945 -6.3945 -6.2650 -6.2650 -6.2398 -6.2398 -6.1478 -6.1478 1.3049 1.3049 1.4232 1.4232 1.4372 1.4372 2.2606 2.2606 2.4436 2.4436 2.4673 2.4673 2.5490 2.5490 2.5602 2.5602 2.8005 2.8005 2.8711 2.8711 3.0883 3.0883 3.1121 3.1121 3.8611 3.8611 4.0982 4.0982 4.1529 4.1529 4.2119 4.2119 4.2802 4.2802 4.3364 4.3364 4.3798 4.3798 4.7052 4.7052 4.7714 4.7714 4.8232 4.8232 4.8473 4.8473 4.9633 4.9633 5.5859 5.5859 5.6299 5.6299 6.0564 6.0564 8.1444 8.1444 8.2997 8.2997 8.6339 8.6339 9.0109 9.0109 9.0199 9.0199 11.0661 11.0661 11.0693 11.0693 k = 0.5000 0.5000 0.1552 ( 6300 PWs) bands (ev): -48.7713 -48.7713 -26.3916 -26.3916 -24.3100 -24.3100 -24.3081 -24.3081 -6.3901 -6.3901 -6.2645 -6.2645 -6.2394 -6.2394 -6.1498 -6.1498 1.3037 1.3037 1.4137 1.4137 1.4282 1.4282 2.2269 2.2269 2.4477 2.4477 2.4685 2.4685 2.5559 2.5559 2.5683 2.5683 2.8260 2.8260 2.8658 2.8658 3.0878 3.0878 3.1118 3.1118 3.8707 3.8707 4.0920 4.0920 4.1565 4.1565 4.2155 4.2155 4.2751 4.2751 4.3380 4.3380 4.3830 4.3830 4.6933 4.6933 4.7609 4.7609 4.8152 4.8152 4.8437 4.8437 4.9616 4.9616 5.6136 5.6136 5.6593 5.6593 6.0648 6.0648 8.1284 8.1284 8.2940 8.2940 8.6711 8.6711 9.0185 9.0185 9.0281 9.0281 11.0231 11.0231 11.0270 11.0270 k = 0.5000 0.5000 0.1724 ( 6312 PWs) bands (ev): -48.7713 -48.7713 -26.3917 -26.3917 -24.3100 -24.3100 -24.3082 -24.3082 -6.3852 -6.3852 -6.2640 -6.2640 -6.2390 -6.2390 -6.1520 -6.1520 1.3023 1.3023 1.4036 1.4036 1.4185 1.4185 2.1937 2.1937 2.4522 2.4522 2.4704 2.4704 2.5635 2.5635 2.5770 2.5770 2.8503 2.8503 2.8600 2.8600 3.0872 3.0872 3.1112 3.1112 3.8810 3.8810 4.0864 4.0864 4.1603 4.1603 4.2186 4.2186 4.2706 4.2706 4.3397 4.3397 4.3865 4.3865 4.6807 4.6807 4.7503 4.7503 4.8050 4.8050 4.8394 4.8394 4.9591 4.9591 5.6444 5.6444 5.6910 5.6910 6.0737 6.0737 8.1145 8.1145 8.2879 8.2879 8.7082 8.7082 9.0262 9.0262 9.0364 9.0364 10.9780 10.9780 10.9826 10.9826 k = 0.5000 0.5000 0.1897 ( 6304 PWs) bands (ev): -48.7713 -48.7713 -26.3917 -26.3917 -24.3100 -24.3100 -24.3083 -24.3083 -6.3799 -6.3799 -6.2634 -6.2634 -6.2386 -6.2386 -6.1545 -6.1545 1.3006 1.3006 1.3931 1.3931 1.4083 1.4083 2.1611 2.1611 2.4571 2.4571 2.4731 2.4731 2.5718 2.5718 2.5864 2.5864 2.8538 2.8538 2.8732 2.8732 3.0864 3.0864 3.1105 3.1105 3.8918 3.8918 4.0815 4.0815 4.1644 4.1644 4.2209 4.2209 4.2669 4.2669 4.3415 4.3415 4.3903 4.3903 4.6675 4.6675 4.7398 4.7398 4.7930 4.7930 4.8345 4.8345 4.9554 4.9554 5.6777 5.6777 5.7245 5.7245 6.0832 6.0832 8.1030 8.1030 8.2815 8.2815 8.7450 8.7450 9.0337 9.0337 9.0446 9.0446 10.9315 10.9315 10.9369 10.9369 k = 0.5000 0.5000 0.2069 ( 6312 PWs) bands (ev): -48.7713 -48.7713 -26.3918 -26.3918 -24.3100 -24.3100 -24.3085 -24.3085 -6.3742 -6.3742 -6.2628 -6.2628 -6.2382 -6.2382 -6.1573 -6.1573 1.2986 1.2986 1.3822 1.3822 1.3978 1.3978 2.1293 2.1293 2.4623 2.4623 2.4767 2.4767 2.5807 2.5807 2.5963 2.5963 2.8472 2.8472 2.8947 2.8947 3.0854 3.0854 3.1095 3.1095 3.9028 3.9028 4.0775 4.0775 4.1687 4.1687 4.2225 4.2225 4.2641 4.2641 4.3431 4.3431 4.3944 4.3944 4.6538 4.6538 4.7292 4.7292 4.7793 4.7793 4.8289 4.8289 4.9504 4.9504 5.7132 5.7132 5.7597 5.7597 6.0932 6.0932 8.0940 8.0940 8.2748 8.2748 8.7810 8.7810 9.0409 9.0409 9.0522 9.0522 10.8845 10.8845 10.8906 10.8906 k = 0.5000 0.5000 0.2241 ( 6312 PWs) bands (ev): -48.7713 -48.7713 -26.3918 -26.3918 -24.3100 -24.3100 -24.3086 -24.3086 -6.3682 -6.3682 -6.2622 -6.2622 -6.2377 -6.2377 -6.1603 -6.1603 1.2962 1.2962 1.3711 1.3711 1.3870 1.3870 2.0985 2.0985 2.4679 2.4679 2.4810 2.4810 2.5901 2.5901 2.6068 2.6068 2.8402 2.8402 2.9149 2.9149 3.0841 3.0841 3.1081 3.1081 3.9139 3.9139 4.0746 4.0746 4.1732 4.1732 4.2231 4.2231 4.2624 4.2624 4.3447 4.3447 4.3989 4.3989 4.6396 4.6396 4.7188 4.7188 4.7645 4.7645 4.8226 4.8226 4.9438 4.9438 5.7505 5.7505 5.7962 5.7962 6.1035 6.1035 8.0875 8.0875 8.2679 8.2679 8.8161 8.8161 9.0476 9.0476 9.0592 9.0592 10.8376 10.8376 10.8444 10.8444 k = 0.5000 0.5000 0.2414 ( 6296 PWs) bands (ev): -48.7712 -48.7712 -26.3919 -26.3919 -24.3100 -24.3100 -24.3087 -24.3087 -6.3618 -6.3618 -6.2616 -6.2616 -6.2373 -6.2373 -6.1636 -6.1636 1.2935 1.2935 1.3600 1.3600 1.3762 1.3762 2.0688 2.0688 2.4739 2.4739 2.4861 2.4861 2.5999 2.5999 2.6176 2.6176 2.8329 2.8329 2.9336 2.9336 3.0827 3.0827 3.1065 3.1065 3.9248 3.9248 4.0732 4.0732 4.1777 4.1777 4.2229 4.2229 4.2619 4.2619 4.3462 4.3462 4.4039 4.4039 4.6252 4.6252 4.7086 4.7086 4.7488 4.7488 4.8157 4.8157 4.9357 4.9357 5.7890 5.7890 5.8337 5.8337 6.1139 6.1139 8.0837 8.0837 8.2608 8.2608 8.8496 8.8496 9.0533 9.0533 9.0652 9.0652 10.7915 10.7915 10.7990 10.7990 k = 0.5000 0.5000 0.2586 ( 6296 PWs) bands (ev): -48.7712 -48.7712 -26.3919 -26.3919 -24.3100 -24.3100 -24.3089 -24.3089 -6.3552 -6.3552 -6.2610 -6.2610 -6.2368 -6.2368 -6.1671 -6.1671 1.2905 1.2905 1.3491 1.3491 1.3653 1.3653 2.0404 2.0404 2.4802 2.4802 2.4919 2.4919 2.6100 2.6100 2.6288 2.6288 2.8254 2.8254 2.9510 2.9510 3.0810 3.0810 3.1045 3.1045 3.9351 3.9351 4.0734 4.0734 4.1823 4.1823 4.2220 4.2220 4.2623 4.2623 4.3473 4.3473 4.4092 4.4092 4.6107 4.6107 4.6985 4.6985 4.7325 4.7325 4.8083 4.8083 4.9258 4.9258 5.8284 5.8284 5.8716 5.8716 6.1245 6.1245 8.0824 8.0824 8.2536 8.2536 8.8814 8.8814 9.0581 9.0581 9.0701 9.0701 10.7469 10.7469 10.7551 10.7551 k = 0.5000 0.5000 0.2759 ( 6300 PWs) bands (ev): -48.7712 -48.7712 -26.3920 -26.3920 -24.3100 -24.3100 -24.3090 -24.3090 -6.3483 -6.3483 -6.2604 -6.2604 -6.2364 -6.2364 -6.1710 -6.1710 1.2871 1.2871 1.3384 1.3384 1.3547 1.3547 2.0133 2.0133 2.4868 2.4868 2.4983 2.4983 2.6204 2.6204 2.6401 2.6401 2.8176 2.8176 2.9669 2.9669 3.0791 3.0791 3.1022 3.1022 3.9443 3.9443 4.0755 4.0755 4.1868 4.1868 4.2207 4.2207 4.2637 4.2637 4.3480 4.3480 4.4149 4.4149 4.5963 4.5963 4.6886 4.6886 4.7158 4.7158 4.8006 4.8006 4.9142 4.9142 5.8681 5.8681 5.9097 5.9097 6.1351 6.1351 8.0838 8.0838 8.2464 8.2464 8.9107 8.9107 9.0616 9.0616 9.0736 9.0736 10.7043 10.7043 10.7130 10.7130 k = 0.5000 0.5000 0.2931 ( 6292 PWs) bands (ev): -48.7712 -48.7712 -26.3920 -26.3920 -24.3100 -24.3100 -24.3091 -24.3091 -6.3412 -6.3412 -6.2598 -6.2598 -6.2359 -6.2359 -6.1751 -6.1751 1.2834 1.2834 1.3283 1.3283 1.3443 1.3443 1.9878 1.9878 2.4938 2.4938 2.5051 2.5051 2.6308 2.6308 2.6515 2.6515 2.8099 2.8099 2.9815 2.9815 3.0770 3.0770 3.0995 3.0995 3.9522 3.9522 4.0799 4.0799 4.1912 4.1912 4.2193 4.2193 4.2656 4.2656 4.3483 4.3483 4.4211 4.4211 4.5823 4.5823 4.6787 4.6787 4.6993 4.6993 4.7926 4.7926 4.9010 4.9010 5.9076 5.9076 5.9475 5.9475 6.1456 6.1456 8.0875 8.0875 8.2393 8.2393 8.9374 8.9374 9.0638 9.0638 9.0756 9.0756 10.6642 10.6642 10.6731 10.6731 k = 0.5000 0.5000 0.3103 ( 6284 PWs) bands (ev): -48.7712 -48.7712 -26.3920 -26.3920 -24.3100 -24.3100 -24.3093 -24.3093 -6.3339 -6.3339 -6.2592 -6.2592 -6.2355 -6.2355 -6.1794 -6.1794 1.2794 1.2794 1.3188 1.3188 1.3343 1.3343 1.9639 1.9639 2.5010 2.5010 2.5122 2.5122 2.6412 2.6412 2.6627 2.6627 2.8022 2.8022 2.9947 2.9947 3.0748 3.0748 3.0965 3.0965 3.9586 3.9586 4.0866 4.0866 4.1954 4.1954 4.2180 4.2180 4.2681 4.2681 4.3480 4.3480 4.4275 4.4275 4.5691 4.5691 4.6684 4.6684 4.6836 4.6836 4.7846 4.7846 4.8862 4.8862 5.9465 5.9465 5.9845 5.9845 6.1559 6.1559 8.0934 8.0934 8.2324 8.2324 8.9609 8.9609 9.0646 9.0646 9.0762 9.0762 10.6270 10.6270 10.6357 10.6357 k = 0.5000 0.5000 0.3276 ( 6284 PWs) bands (ev): -48.7712 -48.7712 -26.3921 -26.3921 -24.3100 -24.3100 -24.3094 -24.3094 -6.3265 -6.3265 -6.2586 -6.2586 -6.2351 -6.2351 -6.1840 -6.1840 1.2750 1.2750 1.3101 1.3101 1.3248 1.3248 1.9416 1.9416 2.5085 2.5085 2.5194 2.5194 2.6515 2.6515 2.6736 2.6736 2.7946 2.7946 3.0065 3.0065 3.0724 3.0724 3.0932 3.0932 3.9635 3.9635 4.0954 4.0954 4.1993 4.1993 4.2167 4.2167 4.2710 4.2710 4.3470 4.3470 4.4343 4.4343 4.5568 4.5568 4.6569 4.6569 4.6699 4.6699 4.7765 4.7765 4.8700 4.8700 5.9843 5.9843 6.0203 6.0203 6.1659 6.1659 8.1013 8.1013 8.2257 8.2257 8.9810 8.9810 9.0640 9.0640 9.0753 9.0753 10.5929 10.5929 10.6004 10.6004 k = 0.5000 0.5000 0.3448 ( 6284 PWs) bands (ev): -48.7712 -48.7712 -26.3921 -26.3921 -24.3100 -24.3100 -24.3095 -24.3095 -6.3190 -6.3190 -6.2580 -6.2580 -6.2347 -6.2347 -6.1889 -6.1889 1.2703 1.2703 1.3024 1.3024 1.3159 1.3159 1.9212 1.9212 2.5159 2.5159 2.5267 2.5267 2.6615 2.6615 2.6839 2.6839 2.7874 2.7874 3.0171 3.0171 3.0700 3.0700 3.0896 3.0896 3.9671 3.9671 4.1061 4.1061 4.2030 4.2030 4.2157 4.2157 4.2741 4.2741 4.3452 4.3452 4.4412 4.4412 4.5458 4.5458 4.6436 4.6436 4.6589 4.6589 4.7685 4.7685 4.8529 4.8529 6.0204 6.0204 6.0543 6.0543 6.1756 6.1756 8.1108 8.1108 8.2193 8.2193 8.9975 8.9975 9.0622 9.0622 9.0730 9.0730 10.5620 10.5620 10.5678 10.5678 k = 0.5000 0.5000 0.3621 ( 6284 PWs) bands (ev): -48.7711 -48.7711 -26.3922 -26.3922 -24.3100 -24.3100 -24.3096 -24.3096 -6.3114 -6.3114 -6.2575 -6.2575 -6.2344 -6.2344 -6.1940 -6.1940 1.2654 1.2654 1.2957 1.2957 1.3076 1.3076 1.9027 1.9027 2.5234 2.5234 2.5338 2.5338 2.6710 2.6710 2.6933 2.6933 2.7808 2.7808 3.0264 3.0264 3.0675 3.0675 3.0858 3.0858 3.9695 3.9695 4.1182 4.1182 4.2063 4.2063 4.2149 4.2149 4.2776 4.2776 4.3424 4.3424 4.4482 4.4482 4.5363 4.5363 4.6296 4.6296 4.6500 4.6500 4.7608 4.7608 4.8349 4.8349 6.0544 6.0544 6.0859 6.0859 6.1850 6.1850 8.1215 8.1215 8.2133 8.2133 9.0104 9.0104 9.0593 9.0593 9.0696 9.0696 10.5343 10.5343 10.5390 10.5390 k = 0.5000 0.5000 0.3793 ( 6276 PWs) bands (ev): -48.7711 -48.7711 -26.3922 -26.3922 -24.3100 -24.3100 -24.3097 -24.3097 -6.3039 -6.3039 -6.2570 -6.2570 -6.2340 -6.2340 -6.1993 -6.1993 1.2605 1.2605 1.2901 1.2901 1.3002 1.3002 1.8862 1.8862 2.5308 2.5308 2.5406 2.5406 2.6799 2.6799 2.7015 2.7015 2.7752 2.7752 3.0344 3.0344 3.0652 3.0652 3.0819 3.0819 3.9712 3.9712 4.1311 4.1311 4.2091 4.2091 4.2144 4.2144 4.2811 4.2811 4.3386 4.3386 4.4551 4.4551 4.5285 4.5285 4.6163 4.6163 4.6422 4.6422 4.7535 4.7535 4.8166 4.8166 6.0859 6.0859 6.1146 6.1146 6.1941 6.1941 8.1330 8.1330 8.2079 8.2079 9.0197 9.0197 9.0557 9.0557 9.0653 9.0653 10.5100 10.5100 10.5147 10.5147 k = 0.5000 0.5000 0.3966 ( 6268 PWs) bands (ev): -48.7711 -48.7711 -26.3922 -26.3922 -24.3100 -24.3100 -24.3098 -24.3098 -6.2964 -6.2964 -6.2566 -6.2566 -6.2337 -6.2337 -6.2049 -6.2049 1.2557 1.2557 1.2854 1.2854 1.2936 1.2936 1.8717 1.8717 2.5378 2.5378 2.5469 2.5469 2.6881 2.6881 2.7079 2.7079 2.7710 2.7710 3.0413 3.0413 3.0631 3.0631 3.0780 3.0780 3.9722 3.9722 4.1445 4.1445 4.2114 4.2114 4.2143 4.2143 4.2846 4.2846 4.3338 4.3338 4.4619 4.4619 4.5225 4.5225 4.6045 4.6045 4.6350 4.6350 4.7468 4.7468 4.7984 4.7984 6.1142 6.1142 6.1396 6.1396 6.2031 6.2031 8.1446 8.1446 8.2030 8.2030 9.0259 9.0259 9.0515 9.0515 9.0603 9.0603 10.4897 10.4897 10.4945 10.4945 k = 0.5000 0.5000 0.4138 ( 6260 PWs) bands (ev): -48.7710 -48.7710 -26.3922 -26.3922 -24.3100 -24.3100 -24.3098 -24.3098 -6.2891 -6.2891 -6.2561 -6.2561 -6.2335 -6.2335 -6.2105 -6.2105 1.2512 1.2512 1.2816 1.2816 1.2878 1.2878 1.8593 1.8593 2.5444 2.5444 2.5526 2.5526 2.6954 2.6954 2.7123 2.7123 2.7684 2.7684 3.0470 3.0470 3.0612 3.0612 3.0741 3.0741 3.9729 3.9729 4.1578 4.1578 4.2124 4.2124 4.2150 4.2150 4.2881 4.2881 4.3282 4.3282 4.4683 4.4683 4.5179 4.5179 4.5946 4.5946 4.6284 4.6284 4.7409 4.7409 4.7810 4.7810 6.1391 6.1391 6.1602 6.1602 6.2122 6.2122 8.1559 8.1559 8.1987 8.1987 9.0295 9.0295 9.0473 9.0473 9.0551 9.0551 10.4736 10.4736 10.4780 10.4780 k = 0.5000 0.5000 0.4310 ( 6240 PWs) bands (ev): -48.7709 -48.7709 -26.3923 -26.3923 -24.3100 -24.3100 -24.3099 -24.3099 -6.2821 -6.2821 -6.2556 -6.2556 -6.2333 -6.2333 -6.2162 -6.2162 1.2474 1.2474 1.2786 1.2786 1.2831 1.2831 1.8491 1.8491 2.5504 2.5504 2.5573 2.5573 2.7016 2.7016 2.7144 2.7144 2.7677 2.7677 3.0515 3.0515 3.0598 3.0598 3.0705 3.0705 3.9733 3.9733 4.1705 4.1705 4.2124 4.2124 4.2164 4.2164 4.2913 4.2913 4.3221 4.3221 4.4743 4.4743 4.5141 4.5141 4.5875 4.5875 4.6222 4.6222 4.7358 4.7358 4.7650 4.7650 6.1600 6.1600 6.1760 6.1760 6.2216 6.2216 8.1662 8.1662 8.1952 8.1952 9.0312 9.0312 9.0432 9.0432 9.0501 9.0501 10.4612 10.4612 10.4649 10.4649 k = 0.5000 0.5000 0.4483 ( 6244 PWs) bands (ev): -48.7709 -48.7709 -26.3923 -26.3923 -24.3100 -24.3100 -24.3099 -24.3099 -6.2756 -6.2756 -6.2551 -6.2551 -6.2331 -6.2331 -6.2219 -6.2219 1.2442 1.2442 1.2764 1.2764 1.2793 1.2793 1.8412 1.8412 2.5555 2.5555 2.5609 2.5609 2.7066 2.7066 2.7148 2.7148 2.7682 2.7682 3.0550 3.0550 3.0589 3.0589 3.0672 3.0672 3.9736 3.9736 4.1821 4.1821 4.2118 4.2118 4.2176 4.2176 4.2942 4.2942 4.3159 4.3159 4.4800 4.4800 4.5105 4.5105 4.5835 4.5835 4.6164 4.6164 4.7317 4.7317 4.7512 4.7512 6.1767 6.1767 6.1869 6.1869 6.2306 6.2306 8.1750 8.1750 8.1923 8.1923 9.0316 9.0316 9.0398 9.0398 9.0454 9.0454 10.4522 10.4522 10.4549 10.4549 k = 0.5000 0.5000 0.4655 ( 6260 PWs) bands (ev): -48.7710 -48.7710 -26.3923 -26.3923 -24.3100 -24.3100 -24.3100 -24.3100 -6.2701 -6.2701 -6.2544 -6.2544 -6.2330 -6.2330 -6.2271 -6.2271 1.2418 1.2418 1.2749 1.2749 1.2765 1.2765 1.8354 1.8354 2.5597 2.5597 2.5634 2.5634 2.7102 2.7102 2.7143 2.7143 2.7693 2.7693 3.0570 3.0570 3.0589 3.0589 3.0644 3.0644 3.9737 3.9737 4.1921 4.1921 4.2108 4.2108 4.2185 4.2185 4.2968 4.2968 4.3101 4.3101 4.4855 4.4855 4.5063 4.5063 4.5825 4.5825 4.6110 4.6110 4.7289 4.7289 4.7402 4.7402 6.1888 6.1888 6.1937 6.1937 6.2381 6.2381 8.1817 8.1817 8.1902 8.1902 9.0315 9.0315 9.0374 9.0374 9.0415 9.0415 10.4461 10.4461 10.4478 10.4478 k = 0.5000 0.5000 0.4828 ( 6272 PWs) bands (ev): -48.7711 -48.7711 -26.3923 -26.3923 -24.3100 -24.3100 -24.3100 -24.3100 -6.2663 -6.2663 -6.2535 -6.2535 -6.2329 -6.2329 -6.2312 -6.2312 1.2404 1.2404 1.2740 1.2740 1.2748 1.2748 1.8320 1.8320 2.5626 2.5626 2.5645 2.5645 2.7125 2.7125 2.7137 2.7137 2.7702 2.7702 3.0580 3.0580 3.0592 3.0592 3.0626 3.0626 3.9737 3.9737 4.1999 4.1999 4.2088 4.2088 4.2191 4.2191 4.2991 4.2991 4.3053 4.3053 4.4909 4.4909 4.5015 4.5015 4.5834 4.5834 4.6067 4.6067 4.7277 4.7277 4.7327 4.7327 6.1962 6.1962 6.1975 6.1975 6.2431 6.2431 8.1859 8.1859 8.1889 8.1889 9.0312 9.0312 9.0363 9.0363 9.0385 9.0385 10.4428 10.4428 10.4435 10.4435 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -48.7711 -48.7711 -26.3923 -26.3923 -24.3100 -24.3100 -24.3100 -24.3100 -6.2650 -6.2650 -6.2529 -6.2529 -6.2329 -6.2329 -6.2329 -6.2329 1.2399 1.2399 1.2740 1.2740 1.2740 1.2740 1.8308 1.8308 2.5642 2.5642 2.5642 2.5642 2.7133 2.7133 2.7133 2.7133 2.7706 2.7706 3.0588 3.0588 3.0588 3.0588 3.0620 3.0620 3.9737 3.9737 4.2054 4.2054 4.2054 4.2054 4.2192 4.2192 4.3018 4.3018 4.3018 4.3018 4.4962 4.4962 4.4962 4.4962 4.5841 4.5841 4.6049 4.6049 4.7287 4.7287 4.7287 4.7287 6.1987 6.1987 6.1987 6.1987 6.2449 6.2449 8.1879 8.1879 8.1879 8.1879 9.0310 9.0310 9.0367 9.0367 9.0367 9.0367 10.4419 10.4419 10.4419 10.4419 Writing output data file NbCu3S4.save init_run : 4.31s CPU 13.72s WALL ( 1 calls) electrons : 1302.83s CPU 1315.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.34s CPU 1.45s WALL ( 1 calls) Called by electrons: c_bands : 1302.79s CPU 1314.66s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.88s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.12s CPU 0.57s WALL ( 1 calls) newd : 0.82s CPU 0.87s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.20s WALL ( 225 calls) cegterg : 1234.18s CPU 1243.59s WALL ( 586 calls) Called by sum_band: Called by *egterg: h_psi : 399.34s CPU 407.17s WALL ( 10297 calls) s_psi : 83.06s CPU 83.35s WALL ( 10297 calls) g_psi : 1.17s CPU 1.12s WALL ( 9486 calls) cdiaghg : 578.30s CPU 577.02s WALL ( 9711 calls) cegterg:over : 102.90s CPU 100.45s WALL ( 9486 calls) cegterg:upda : 34.31s CPU 36.44s WALL ( 9486 calls) cegterg:last : 24.14s CPU 24.50s WALL ( 1308 calls) Called by h_psi: h_psi:vloc : 251.73s CPU 256.99s WALL ( 10297 calls) h_psi:vnl : 147.03s CPU 149.06s WALL ( 10297 calls) add_vuspsi : 62.55s CPU 65.95s WALL ( 10297 calls) General routines calbec : 84.42s CPU 83.01s WALL ( 10297 calls) fft : 0.26s CPU 1.08s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 237.58s CPU 241.96s WALL ( 1340216 calls) interpolate : 0.08s CPU 0.10s WALL ( 4 calls) davcio : 0.02s CPU 1.67s WALL ( 450 calls) Parallel routines fft_scatter : 159.33s CPU 161.64s WALL ( 1340239 calls) PWSCF : 22m56.02s CPU 25m19.65s WALL This run was terminated on: 19:30: 8 28Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=