Program PWSCF v.5.1.1 starts on 29Oct2015 at 11:42:43 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) = 10.3937 a.u. unit-cell volume = 1122.8152 (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)= 10.393682 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 47.8 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 58.1 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 68.2 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 78.4 secs Computing kpt #: 5 total cpu time spent up to now is 87.0 secs Computing kpt #: 6 total cpu time spent up to now is 95.1 secs Computing kpt #: 7 total cpu time spent up to now is 102.0 secs Computing kpt #: 8 total cpu time spent up to now is 108.2 secs Computing kpt #: 9 total cpu time spent up to now is 114.2 secs Computing kpt #: 10 total cpu time spent up to now is 120.1 secs Computing kpt #: 11 total cpu time spent up to now is 125.8 secs Computing kpt #: 12 total cpu time spent up to now is 131.1 secs Computing kpt #: 13 total cpu time spent up to now is 136.6 secs Computing kpt #: 14 total cpu time spent up to now is 141.6 secs Computing kpt #: 15 total cpu time spent up to now is 146.7 secs Computing kpt #: 16 total cpu time spent up to now is 151.8 secs Computing kpt #: 17 total cpu time spent up to now is 156.9 secs Computing kpt #: 18 total cpu time spent up to now is 162.1 secs Computing kpt #: 19 total cpu time spent up to now is 167.1 secs Computing kpt #: 20 total cpu time spent up to now is 172.3 secs Computing kpt #: 21 total cpu time spent up to now is 177.6 secs Computing kpt #: 22 total cpu time spent up to now is 182.9 secs Computing kpt #: 23 total cpu time spent up to now is 188.1 secs Computing kpt #: 24 total cpu time spent up to now is 193.3 secs Computing kpt #: 25 total cpu time spent up to now is 198.4 secs Computing kpt #: 26 total cpu time spent up to now is 203.4 secs Computing kpt #: 27 total cpu time spent up to now is 208.4 secs Computing kpt #: 28 total cpu time spent up to now is 213.5 secs Computing kpt #: 29 total cpu time spent up to now is 218.4 secs Computing kpt #: 30 total cpu time spent up to now is 223.4 secs Computing kpt #: 31 total cpu time spent up to now is 228.3 secs Computing kpt #: 32 total cpu time spent up to now is 233.4 secs Computing kpt #: 33 total cpu time spent up to now is 238.5 secs Computing kpt #: 34 total cpu time spent up to now is 243.7 secs Computing kpt #: 35 total cpu time spent up to now is 249.1 secs Computing kpt #: 36 total cpu time spent up to now is 254.5 secs Computing kpt #: 37 total cpu time spent up to now is 259.8 secs Computing kpt #: 38 total cpu time spent up to now is 265.1 secs Computing kpt #: 39 total cpu time spent up to now is 270.4 secs Computing kpt #: 40 total cpu time spent up to now is 275.6 secs Computing kpt #: 41 total cpu time spent up to now is 280.8 secs Computing kpt #: 42 total cpu time spent up to now is 286.1 secs Computing kpt #: 43 total cpu time spent up to now is 291.2 secs Computing kpt #: 44 total cpu time spent up to now is 296.3 secs Computing kpt #: 45 total cpu time spent up to now is 301.4 secs Computing kpt #: 46 total cpu time spent up to now is 306.3 secs Computing kpt #: 47 total cpu time spent up to now is 311.2 secs Computing kpt #: 48 total cpu time spent up to now is 316.0 secs Computing kpt #: 49 total cpu time spent up to now is 320.7 secs Computing kpt #: 50 total cpu time spent up to now is 325.4 secs Computing kpt #: 51 total cpu time spent up to now is 330.0 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 341.1 secs Computing kpt #: 54 total cpu time spent up to now is 345.6 secs Computing kpt #: 55 total cpu time spent up to now is 350.2 secs Computing kpt #: 56 total cpu time spent up to now is 354.8 secs Computing kpt #: 57 total cpu time spent up to now is 359.4 secs Computing kpt #: 58 total cpu time spent up to now is 364.3 secs Computing kpt #: 59 total cpu time spent up to now is 369.1 secs Computing kpt #: 60 total cpu time spent up to now is 373.6 secs Computing kpt #: 61 total cpu time spent up to now is 378.1 secs Computing kpt #: 62 total cpu time spent up to now is 382.8 secs Computing kpt #: 63 total cpu time spent up to now is 387.6 secs Computing kpt #: 64 total cpu time spent up to now is 392.3 secs Computing kpt #: 65 total cpu time spent up to now is 397.0 secs Computing kpt #: 66 total cpu time spent up to now is 401.6 secs Computing kpt #: 67 total cpu time spent up to now is 406.1 secs Computing kpt #: 68 total cpu time spent up to now is 410.7 secs Computing kpt #: 69 total cpu time spent up to now is 415.2 secs Computing kpt #: 70 total cpu time spent up to now is 419.8 secs Computing kpt #: 71 total cpu time spent up to now is 424.5 secs Computing kpt #: 72 total cpu time spent up to now is 429.2 secs Computing kpt #: 73 total cpu time spent up to now is 434.2 secs Computing kpt #: 74 total cpu time spent up to now is 438.9 secs Computing kpt #: 75 total cpu time spent up to now is 443.8 secs Computing kpt #: 76 total cpu time spent up to now is 449.0 secs Computing kpt #: 77 total cpu time spent up to now is 454.2 secs Computing kpt #: 78 total cpu time spent up to now is 460.3 secs Computing kpt #: 79 total cpu time spent up to now is 466.3 secs Computing kpt #: 80 total cpu time spent up to now is 472.6 secs Computing kpt #: 81 total cpu time spent up to now is 478.9 secs Computing kpt #: 82 total cpu time spent up to now is 485.0 secs Computing kpt #: 83 total cpu time spent up to now is 491.1 secs Computing kpt #: 84 total cpu time spent up to now is 499.7 secs Computing kpt #: 85 total cpu time spent up to now is 507.4 secs Computing kpt #: 86 total cpu time spent up to now is 513.9 secs Computing kpt #: 87 total cpu time spent up to now is 519.1 secs Computing kpt #: 88 total cpu time spent up to now is 525.2 secs Computing kpt #: 89 total cpu time spent up to now is 535.0 secs Computing kpt #: 90 total cpu time spent up to now is 541.1 secs Computing kpt #: 91 total cpu time spent up to now is 549.5 secs Computing kpt #: 92 total cpu time spent up to now is 558.0 secs Computing kpt #: 93 total cpu time spent up to now is 567.2 secs Computing kpt #: 94 total cpu time spent up to now is 576.0 secs Computing kpt #: 95 total cpu time spent up to now is 584.9 secs Computing kpt #: 96 total cpu time spent up to now is 594.3 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 605.1 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 615.8 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 626.6 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 638.9 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 649.6 secs Computing kpt #: 102 total cpu time spent up to now is 654.7 secs Computing kpt #: 103 total cpu time spent up to now is 659.7 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 670.1 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 680.5 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 691.1 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 701.6 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 712.1 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 722.6 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 733.2 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 743.8 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 754.4 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 764.9 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 775.7 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 786.2 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 796.7 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 807.3 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 817.9 secs Computing kpt #: 119 total cpu time spent up to now is 824.0 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 834.8 secs Computing kpt #: 121 total cpu time spent up to now is 840.9 secs Computing kpt #: 122 total cpu time spent up to now is 846.3 secs Computing kpt #: 123 total cpu time spent up to now is 851.8 secs Computing kpt #: 124 total cpu time spent up to now is 857.2 secs Computing kpt #: 125 total cpu time spent up to now is 862.5 secs Computing kpt #: 126 total cpu time spent up to now is 868.0 secs Computing kpt #: 127 total cpu time spent up to now is 873.2 secs Computing kpt #: 128 total cpu time spent up to now is 878.4 secs Computing kpt #: 129 total cpu time spent up to now is 883.6 secs Computing kpt #: 130 total cpu time spent up to now is 888.9 secs Computing kpt #: 131 total cpu time spent up to now is 894.0 secs Computing kpt #: 132 total cpu time spent up to now is 899.1 secs Computing kpt #: 133 total cpu time spent up to now is 904.3 secs Computing kpt #: 134 total cpu time spent up to now is 909.4 secs Computing kpt #: 135 total cpu time spent up to now is 914.6 secs Computing kpt #: 136 total cpu time spent up to now is 919.6 secs Computing kpt #: 137 total cpu time spent up to now is 924.6 secs Computing kpt #: 138 total cpu time spent up to now is 929.7 secs Computing kpt #: 139 total cpu time spent up to now is 936.0 secs Computing kpt #: 140 total cpu time spent up to now is 941.9 secs Computing kpt #: 141 total cpu time spent up to now is 947.0 secs Computing kpt #: 142 total cpu time spent up to now is 952.0 secs Computing kpt #: 143 total cpu time spent up to now is 957.0 secs Computing kpt #: 144 total cpu time spent up to now is 962.0 secs Computing kpt #: 145 total cpu time spent up to now is 966.9 secs Computing kpt #: 146 total cpu time spent up to now is 971.8 secs Computing kpt #: 147 total cpu time spent up to now is 976.6 secs Computing kpt #: 148 total cpu time spent up to now is 981.6 secs Computing kpt #: 149 total cpu time spent up to now is 986.4 secs Computing kpt #: 150 total cpu time spent up to now is 991.3 secs Computing kpt #: 151 total cpu time spent up to now is 996.2 secs Computing kpt #: 152 total cpu time spent up to now is 1001.0 secs Computing kpt #: 153 total cpu time spent up to now is 1005.6 secs Computing kpt #: 154 total cpu time spent up to now is 1010.2 secs Computing kpt #: 155 total cpu time spent up to now is 1015.0 secs Computing kpt #: 156 total cpu time spent up to now is 1019.9 secs Computing kpt #: 157 total cpu time spent up to now is 1024.8 secs Computing kpt #: 158 total cpu time spent up to now is 1029.8 secs Computing kpt #: 159 total cpu time spent up to now is 1034.6 secs Computing kpt #: 160 total cpu time spent up to now is 1039.4 secs Computing kpt #: 161 total cpu time spent up to now is 1044.0 secs Computing kpt #: 162 total cpu time spent up to now is 1048.7 secs Computing kpt #: 163 total cpu time spent up to now is 1053.4 secs Computing kpt #: 164 total cpu time spent up to now is 1058.2 secs Computing kpt #: 165 total cpu time spent up to now is 1062.7 secs Computing kpt #: 166 total cpu time spent up to now is 1067.4 secs Computing kpt #: 167 total cpu time spent up to now is 1072.1 secs Computing kpt #: 168 total cpu time spent up to now is 1076.7 secs Computing kpt #: 169 total cpu time spent up to now is 1081.3 secs Computing kpt #: 170 total cpu time spent up to now is 1086.0 secs Computing kpt #: 171 total cpu time spent up to now is 1090.5 secs Computing kpt #: 172 total cpu time spent up to now is 1095.1 secs Computing kpt #: 173 total cpu time spent up to now is 1099.7 secs Computing kpt #: 174 total cpu time spent up to now is 1104.3 secs Computing kpt #: 175 total cpu time spent up to now is 1108.9 secs Computing kpt #: 176 total cpu time spent up to now is 1113.5 secs Computing kpt #: 177 total cpu time spent up to now is 1118.2 secs Computing kpt #: 178 total cpu time spent up to now is 1122.8 secs Computing kpt #: 179 total cpu time spent up to now is 1127.5 secs Computing kpt #: 180 total cpu time spent up to now is 1132.4 secs Computing kpt #: 181 total cpu time spent up to now is 1137.3 secs Computing kpt #: 182 total cpu time spent up to now is 1142.3 secs Computing kpt #: 183 total cpu time spent up to now is 1147.4 secs Computing kpt #: 184 total cpu time spent up to now is 1152.7 secs Computing kpt #: 185 total cpu time spent up to now is 1158.0 secs Computing kpt #: 186 total cpu time spent up to now is 1163.3 secs Computing kpt #: 187 total cpu time spent up to now is 1168.7 secs Computing kpt #: 188 total cpu time spent up to now is 1174.0 secs Computing kpt #: 189 total cpu time spent up to now is 1179.2 secs Computing kpt #: 190 total cpu time spent up to now is 1184.4 secs Computing kpt #: 191 total cpu time spent up to now is 1189.7 secs Computing kpt #: 192 total cpu time spent up to now is 1194.9 secs Computing kpt #: 193 total cpu time spent up to now is 1200.0 secs Computing kpt #: 194 total cpu time spent up to now is 1205.1 secs Computing kpt #: 195 total cpu time spent up to now is 1210.2 secs Computing kpt #: 196 total cpu time spent up to now is 1214.8 secs Computing kpt #: 197 total cpu time spent up to now is 1219.3 secs Computing kpt #: 198 total cpu time spent up to now is 1223.8 secs Computing kpt #: 199 total cpu time spent up to now is 1228.2 secs Computing kpt #: 200 total cpu time spent up to now is 1233.4 secs Computing kpt #: 201 total cpu time spent up to now is 1239.4 secs Computing kpt #: 202 total cpu time spent up to now is 1243.9 secs Computing kpt #: 203 total cpu time spent up to now is 1248.4 secs Computing kpt #: 204 total cpu time spent up to now is 1252.9 secs Computing kpt #: 205 total cpu time spent up to now is 1257.6 secs Computing kpt #: 206 total cpu time spent up to now is 1262.2 secs Computing kpt #: 207 total cpu time spent up to now is 1266.9 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 1276.4 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 1290.7 secs Computing kpt #: 213 total cpu time spent up to now is 1295.6 secs Computing kpt #: 214 total cpu time spent up to now is 1300.6 secs Computing kpt #: 215 total cpu time spent up to now is 1305.5 secs Computing kpt #: 216 total cpu time spent up to now is 1310.4 secs Computing kpt #: 217 total cpu time spent up to now is 1315.3 secs Computing kpt #: 218 total cpu time spent up to now is 1320.1 secs Computing kpt #: 219 total cpu time spent up to now is 1324.9 secs Computing kpt #: 220 total cpu time spent up to now is 1330.0 secs Computing kpt #: 221 total cpu time spent up to now is 1335.1 secs Computing kpt #: 222 total cpu time spent up to now is 1339.9 secs Computing kpt #: 223 total cpu time spent up to now is 1344.7 secs Computing kpt #: 224 total cpu time spent up to now is 1349.6 secs Computing kpt #: 225 total cpu time spent up to now is 1354.2 secs ethr = 1.43E-11, avg # of iterations = 43.2 total cpu time spent up to now is 1354.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -48.5919 -48.5919 -26.2678 -26.2678 -24.2001 -24.2001 -24.2001 -24.2001 -7.1686 -7.1686 -6.1379 -6.1379 -6.0986 -6.0986 -6.0986 -6.0986 0.4904 0.4904 0.4904 0.4904 1.6017 1.6017 2.1357 2.1357 2.1357 2.1357 2.1634 2.1634 2.8357 2.8357 2.8743 2.8743 2.8743 2.8743 3.4752 3.4752 3.5000 3.5000 3.5000 3.5000 3.5482 3.5482 3.5482 3.5482 4.2159 4.2159 4.3285 4.3285 4.3285 4.3285 4.4180 4.4180 4.4180 4.4180 4.4786 4.4786 4.8287 4.8287 4.9454 4.9454 4.9454 4.9454 5.0385 5.0385 5.8852 5.8852 5.8852 5.8852 5.9745 5.9745 8.3847 8.3847 8.3847 8.3847 8.4002 8.4002 8.4594 8.4594 8.4594 8.4594 8.4934 8.4934 12.1299 12.1299 k = 0.0000 0.0172-0.0000 ( 6347 PWs) bands (ev): -48.5918 -48.5918 -26.2678 -26.2678 -24.2001 -24.2001 -24.2001 -24.2001 -7.1680 -7.1680 -6.1381 -6.1381 -6.0991 -6.0991 -6.0986 -6.0986 0.4910 0.4910 0.4917 0.4917 1.6024 1.6024 2.1347 2.1347 2.1363 2.1363 2.1633 2.1633 2.8350 2.8350 2.8730 2.8730 2.8743 2.8743 3.4724 3.4724 3.4942 3.4942 3.5002 3.5002 3.5479 3.5479 3.5573 3.5573 4.2153 4.2153 4.3206 4.3206 4.3360 4.3360 4.4126 4.4126 4.4232 4.4232 4.4784 4.4784 4.8287 4.8287 4.9421 4.9421 4.9484 4.9484 5.0384 5.0384 5.8831 5.8831 5.8853 5.8853 5.9734 5.9734 8.3771 8.3771 8.3869 8.3869 8.3999 8.3999 8.4477 8.4477 8.4610 8.4610 8.5173 8.5173 12.1274 12.1274 k = 0.0000 0.0345-0.0000 ( 6331 PWs) bands (ev): -48.5917 -48.5917 -26.2678 -26.2678 -24.2001 -24.2001 -24.2001 -24.2001 -7.1661 -7.1661 -6.1389 -6.1389 -6.1005 -6.1005 -6.0986 -6.0986 0.4928 0.4928 0.4955 0.4955 1.6044 1.6044 2.1324 2.1324 2.1375 2.1375 2.1631 2.1631 2.8330 2.8330 2.8697 2.8697 2.8736 2.8736 3.4610 3.4610 3.4875 3.4875 3.5002 3.5002 3.5495 3.5495 3.5747 3.5747 4.2137 4.2137 4.3125 4.3125 4.3425 4.3425 4.4072 4.4072 4.4285 4.4285 4.4778 4.4778 4.8289 4.8289 4.9381 4.9381 4.9511 4.9511 5.0380 5.0380 5.8775 5.8775 5.8846 5.8846 5.9703 5.9703 8.3569 8.3569 8.3898 8.3898 8.4018 8.4018 8.4416 8.4416 8.4646 8.4646 8.5597 8.5597 12.1203 12.1203 k = 0.0000 0.0517-0.0000 ( 6331 PWs) bands (ev): -48.5917 -48.5917 -26.2678 -26.2678 -24.2001 -24.2001 -24.2001 -24.2001 -7.1631 -7.1631 -6.1403 -6.1403 -6.1027 -6.1027 -6.0986 -6.0986 0.4958 0.4958 0.5019 0.5019 1.6077 1.6077 2.1280 2.1280 2.1394 2.1394 2.1632 2.1632 2.8291 2.8291 2.8647 2.8647 2.8724 2.8724 3.4420 3.4420 3.4850 3.4850 3.5004 3.5004 3.5521 3.5521 3.5951 3.5951 4.2108 4.2108 4.3044 4.3044 4.3476 4.3476 4.4018 4.4018 4.4337 4.4337 4.4770 4.4770 4.8290 4.8290 4.9334 4.9334 4.9539 4.9539 5.0374 5.0374 5.8679 5.8679 5.8834 5.8834 5.9655 5.9655 8.3298 8.3298 8.3942 8.3942 8.4069 8.4069 8.4442 8.4442 8.4705 8.4705 8.6091 8.6091 12.1087 12.1087 k = 0.0000 0.0690-0.0000 ( 6319 PWs) bands (ev): -48.5917 -48.5917 -26.2678 -26.2678 -24.2002 -24.2002 -24.2001 -24.2001 -7.1588 -7.1588 -6.1425 -6.1425 -6.1055 -6.1055 -6.0986 -6.0986 0.5000 0.5000 0.5107 0.5107 1.6123 1.6123 2.1211 2.1211 2.1419 2.1419 2.1642 2.1642 2.8227 2.8227 2.8589 2.8589 2.8708 2.8708 3.4197 3.4197 3.4841 3.4841 3.5005 3.5005 3.5557 3.5557 3.6167 3.6167 4.2066 4.2066 4.2967 4.2967 4.3509 4.3509 4.3968 4.3968 4.4388 4.4388 4.4761 4.4761 4.8288 4.8288 4.9279 4.9279 4.9569 4.9569 5.0366 5.0366 5.8541 5.8541 5.8818 5.8818 5.9596 5.9596 8.3013 8.3013 8.3999 8.3999 8.4147 8.4147 8.4518 8.4518 8.4788 8.4788 8.6637 8.6637 12.0929 12.0929 k = 0.0000 0.0862-0.0000 ( 6323 PWs) bands (ev): -48.5917 -48.5917 -26.2678 -26.2678 -24.2003 -24.2003 -24.2001 -24.2001 -7.1533 -7.1533 -6.1459 -6.1459 -6.1086 -6.1086 -6.0986 -6.0986 0.5054 0.5054 0.5221 0.5221 1.6182 1.6182 2.1115 2.1115 2.1450 2.1450 2.1661 2.1661 2.8131 2.8131 2.8530 2.8530 2.8687 2.8687 3.3958 3.3958 3.4836 3.4836 3.5008 3.5008 3.5600 3.5600 3.6388 3.6388 4.2012 4.2012 4.2896 4.2896 4.3513 4.3513 4.3928 4.3928 4.4437 4.4437 4.4756 4.4756 4.8282 4.8282 4.9216 4.9216 4.9602 4.9602 5.0356 5.0356 5.8362 5.8362 5.8797 5.8797 5.9531 5.9531 8.2736 8.2736 8.4069 8.4069 8.4247 8.4247 8.4627 8.4627 8.4892 8.4892 8.7230 8.7230 12.0735 12.0735 k = 0.0000 0.1034-0.0000 ( 6327 PWs) bands (ev): -48.5917 -48.5917 -26.2679 -26.2679 -24.2003 -24.2003 -24.2001 -24.2001 -7.1466 -7.1466 -6.1508 -6.1508 -6.1115 -6.1115 -6.0987 -6.0987 0.5118 0.5118 0.5359 0.5359 1.6254 1.6254 2.0994 2.0994 2.1488 2.1488 2.1689 2.1689 2.8000 2.8000 2.8477 2.8477 2.8662 2.8662 3.3706 3.3706 3.4833 3.4833 3.5011 3.5011 3.5651 3.5651 3.6615 3.6615 4.1945 4.1945 4.2832 4.2832 4.3484 4.3484 4.3905 4.3905 4.4479 4.4479 4.4759 4.4759 4.8269 4.8269 4.9145 4.9145 4.9641 4.9641 5.0344 5.0344 5.8143 5.8143 5.8774 5.8774 5.9463 5.9463 8.2470 8.2470 8.4150 8.4150 8.4368 8.4368 8.4763 8.4763 8.5018 8.5018 8.7868 8.7868 12.0509 12.0509 k = 0.0000 0.1207-0.0000 ( 6315 PWs) bands (ev): -48.5916 -48.5916 -26.2679 -26.2679 -24.2004 -24.2004 -24.2001 -24.2001 -7.1387 -7.1387 -6.1573 -6.1573 -6.1141 -6.1141 -6.0987 -6.0987 0.5194 0.5194 0.5520 0.5520 1.6339 1.6339 2.0850 2.0850 2.1532 2.1532 2.1727 2.1727 2.7836 2.7836 2.8429 2.8429 2.8634 2.8634 3.3441 3.3441 3.4831 3.4831 3.5015 3.5015 3.5708 3.5708 3.6845 3.6845 4.1866 4.1866 4.2776 4.2776 4.3424 4.3424 4.3898 4.3898 4.4511 4.4511 4.4773 4.4773 4.8247 4.8247 4.9066 4.9066 4.9685 4.9685 5.0332 5.0332 5.7889 5.7889 5.8748 5.8748 5.9394 5.9394 8.2217 8.2217 8.4239 8.4239 8.4507 8.4507 8.4920 8.4920 8.5164 8.5164 8.8548 8.8548 12.0258 12.0258 k = 0.0000 0.1379-0.0000 ( 6331 PWs) bands (ev): -48.5917 -48.5917 -26.2679 -26.2679 -24.2005 -24.2005 -24.2001 -24.2001 -7.1298 -7.1298 -6.1657 -6.1657 -6.1162 -6.1162 -6.0987 -6.0987 0.5280 0.5280 0.5705 0.5705 1.6437 1.6437 2.0684 2.0684 2.1582 2.1582 2.1771 2.1771 2.7644 2.7644 2.8384 2.8384 2.8601 2.8601 3.3163 3.3163 3.4829 3.4829 3.5020 3.5020 3.5769 3.5769 3.7079 3.7079 4.1777 4.1777 4.2726 4.2726 4.3339 4.3339 4.3899 4.3899 4.4529 4.4529 4.4801 4.4801 4.8216 4.8216 4.8981 4.8981 4.9735 4.9735 5.0319 5.0319 5.7605 5.7605 5.8719 5.8719 5.9325 5.9325 8.1976 8.1976 8.4336 8.4336 8.4661 8.4661 8.5095 8.5095 8.5327 8.5327 8.9267 8.9267 11.9988 11.9988 k = 0.0000 0.1552-0.0000 ( 6331 PWs) bands (ev): -48.5917 -48.5917 -26.2680 -26.2680 -24.2007 -24.2007 -24.2001 -24.2001 -7.1197 -7.1197 -6.1758 -6.1758 -6.1177 -6.1177 -6.0988 -6.0988 0.5376 0.5376 0.5912 0.5912 1.6547 1.6547 2.0498 2.0498 2.1638 2.1638 2.1821 2.1821 2.7429 2.7429 2.8340 2.8340 2.8565 2.8565 3.2873 3.2873 3.4827 3.4827 3.5026 3.5026 3.5833 3.5833 3.7316 3.7316 4.1680 4.1680 4.2682 4.2682 4.3239 4.3239 4.3904 4.3904 4.4535 4.4535 4.4839 4.4839 4.8175 4.8175 4.8890 4.8890 4.9789 4.9789 5.0307 5.0307 5.7297 5.7297 5.8688 5.8688 5.9257 5.9257 8.1748 8.1748 8.4437 8.4437 8.4830 8.4830 8.5287 8.5287 8.5507 8.5507 9.0023 9.0023 11.9705 11.9705 k = 0.0000 0.1724-0.0000 ( 6311 PWs) bands (ev): -48.5916 -48.5916 -26.2680 -26.2680 -24.2008 -24.2008 -24.2001 -24.2001 -7.1086 -7.1086 -6.1874 -6.1874 -6.1189 -6.1189 -6.0988 -6.0988 0.5480 0.5480 0.6141 0.6141 1.6669 1.6669 2.0297 2.0297 2.1698 2.1698 2.1878 2.1878 2.7195 2.7195 2.8297 2.8297 2.8527 2.8527 3.2568 3.2568 3.4826 3.4826 3.5033 3.5033 3.5901 3.5901 3.7556 3.7556 4.1579 4.1579 4.2643 4.2643 4.3131 4.3131 4.3907 4.3907 4.4534 4.4534 4.4883 4.4883 4.8125 4.8125 4.8796 4.8796 4.9848 4.9848 5.0296 5.0296 5.6971 5.6971 5.8656 5.8656 5.9190 5.9190 8.1532 8.1532 8.4543 8.4543 8.5009 8.5009 8.5492 8.5492 8.5700 8.5700 9.0811 9.0811 11.9415 11.9415 k = 0.0000 0.1897-0.0000 ( 6311 PWs) bands (ev): -48.5916 -48.5916 -26.2680 -26.2680 -24.2009 -24.2009 -24.2001 -24.2001 -7.0966 -7.0966 -6.2005 -6.2005 -6.1197 -6.1197 -6.0989 -6.0989 0.5593 0.5593 0.6390 0.6390 1.6801 1.6801 2.0080 2.0080 2.1763 2.1763 2.1938 2.1938 2.6945 2.6945 2.8252 2.8252 2.8485 2.8485 3.2249 3.2249 3.4825 3.4825 3.5040 3.5040 3.5970 3.5970 3.7800 3.7800 4.1474 4.1474 4.2607 4.2607 4.3016 4.3016 4.3908 4.3908 4.4527 4.4527 4.4925 4.4925 4.8068 4.8068 4.8698 4.8698 4.9908 4.9908 5.0286 5.0286 5.6631 5.6631 5.8624 5.8624 5.9124 5.9124 8.1326 8.1326 8.4650 8.4650 8.5197 8.5197 8.5707 8.5707 8.5903 8.5903 9.1628 9.1628 11.9123 11.9123 k = 0.0000 0.2069-0.0000 ( 6323 PWs) bands (ev): -48.5917 -48.5917 -26.2681 -26.2681 -24.2010 -24.2010 -24.2001 -24.2001 -7.0835 -7.0835 -6.2148 -6.2148 -6.1204 -6.1204 -6.0989 -6.0989 0.5712 0.5712 0.6659 0.6659 1.6941 1.6941 1.9852 1.9852 2.1831 2.1831 2.2003 2.2003 2.6683 2.6683 2.8206 2.8206 2.8441 2.8441 3.1916 3.1916 3.4823 3.4823 3.5048 3.5048 3.6040 3.6040 3.8045 3.8045 4.1369 4.1369 4.2572 4.2572 4.2899 4.2899 4.3903 4.3903 4.4518 4.4518 4.4962 4.4962 4.8004 4.8004 4.8599 4.8599 4.9969 4.9969 5.0281 5.0281 5.6284 5.6284 5.8591 5.8591 5.9059 5.9059 8.1131 8.1131 8.4759 8.4759 8.5391 8.5391 8.5929 8.5929 8.6113 8.6113 9.2469 9.2469 11.8833 11.8833 k = 0.0000 0.2241-0.0000 ( 6327 PWs) bands (ev): -48.5917 -48.5917 -26.2682 -26.2682 -24.2012 -24.2012 -24.2001 -24.2001 -7.0696 -7.0696 -6.2302 -6.2302 -6.1208 -6.1208 -6.0990 -6.0990 0.5838 0.5838 0.6947 0.6947 1.7085 1.7085 1.9619 1.9619 2.1902 2.1902 2.2071 2.2071 2.6412 2.6412 2.8159 2.8159 2.8396 2.8396 3.1568 3.1568 3.4822 3.4822 3.5056 3.5056 3.6109 3.6109 3.8294 3.8294 4.1265 4.1265 4.2537 4.2537 4.2782 4.2782 4.3895 4.3895 4.4508 4.4508 4.4990 4.4990 4.7935 4.7935 4.8501 4.8501 5.0029 5.0029 5.0280 5.0280 5.5934 5.5934 5.8558 5.8558 5.8997 5.8997 8.0946 8.0946 8.4868 8.4868 8.5588 8.5588 8.6156 8.6156 8.6328 8.6328 9.3330 9.3330 11.8548 11.8548 k = 0.0000 0.2414-0.0000 ( 6319 PWs) bands (ev): -48.5916 -48.5916 -26.2682 -26.2682 -24.2013 -24.2013 -24.2001 -24.2001 -7.0549 -7.0549 -6.2466 -6.2466 -6.1211 -6.1211 -6.0991 -6.0991 0.5969 0.5969 0.7252 0.7252 1.7226 1.7226 1.9388 1.9388 2.1976 2.1976 2.2141 2.2141 2.6136 2.6136 2.8112 2.8112 2.8349 2.8349 3.1206 3.1206 3.4822 3.4822 3.5065 3.5065 3.6179 3.6179 3.8544 3.8544 4.1163 4.1163 4.2502 4.2502 4.2669 4.2669 4.3882 4.3882 4.4499 4.4499 4.5008 4.5008 4.7863 4.7863 4.8404 4.8404 5.0086 5.0086 5.0287 5.0287 5.5584 5.5584 5.8525 5.8525 5.8938 5.8938 8.0772 8.0772 8.4976 8.4976 8.5787 8.5787 8.6385 8.6385 8.6545 8.6545 9.4207 9.4207 11.8271 11.8271 k = 0.0000 0.2586-0.0000 ( 6319 PWs) bands (ev): -48.5916 -48.5916 -26.2682 -26.2682 -24.2015 -24.2015 -24.2001 -24.2001 -7.0395 -7.0395 -6.2638 -6.2638 -6.1214 -6.1214 -6.0991 -6.0991 0.6104 0.6104 0.7572 0.7572 1.7349 1.7349 1.9176 1.9176 2.2052 2.2052 2.2213 2.2213 2.5857 2.5857 2.8064 2.8064 2.8301 2.8301 3.0831 3.0831 3.4821 3.4821 3.5074 3.5074 3.6247 3.6247 3.8795 3.8795 4.1065 4.1065 4.2462 4.2462 4.2564 4.2564 4.3863 4.3863 4.4487 4.4487 4.5013 4.5013 4.7790 4.7790 4.8309 4.8309 5.0138 5.0138 5.0304 5.0304 5.5239 5.5239 5.8493 5.8493 5.8881 5.8881 8.0607 8.0607 8.5082 8.5082 8.5985 8.5985 8.6613 8.6613 8.6760 8.6760 9.5093 9.5093 11.8004 11.8004 k = 0.0000 0.2759-0.0000 ( 6323 PWs) bands (ev): -48.5916 -48.5916 -26.2683 -26.2683 -24.2016 -24.2016 -24.2001 -24.2001 -7.0235 -7.0235 -6.2816 -6.2816 -6.1215 -6.1215 -6.0992 -6.0992 0.6241 0.6241 0.7908 0.7908 1.7428 1.7428 1.9008 1.9008 2.2128 2.2128 2.2285 2.2285 2.5578 2.5578 2.8015 2.8015 2.8253 2.8253 3.0445 3.0445 3.4821 3.4821 3.5084 3.5084 3.6312 3.6312 3.9048 3.9048 4.0971 4.0971 4.2401 4.2401 4.2483 4.2483 4.3840 4.3840 4.4476 4.4476 4.5003 4.5003 4.7717 4.7717 4.8217 4.8217 5.0183 5.0183 5.0332 5.0332 5.4900 5.4900 5.8463 5.8463 5.8829 5.8829 8.0453 8.0453 8.5186 8.5186 8.6179 8.6179 8.6837 8.6837 8.6972 8.6972 9.5983 9.5983 11.7747 11.7747 k = 0.0000 0.2931-0.0000 ( 6311 PWs) bands (ev): -48.5916 -48.5916 -26.2683 -26.2683 -24.2017 -24.2017 -24.2001 -24.2001 -7.0070 -7.0070 -6.2999 -6.2999 -6.1217 -6.1217 -6.0992 -6.0992 0.6378 0.6378 0.8256 0.8256 1.7426 1.7426 1.8924 1.8924 2.2204 2.2204 2.2358 2.2358 2.5303 2.5303 2.7967 2.7967 2.8205 2.8205 3.0048 3.0048 3.4821 3.4821 3.5094 3.5094 3.6375 3.6375 3.9300 3.9300 4.0883 4.0883 4.2316 4.2316 4.2433 4.2433 4.3811 4.3811 4.4465 4.4465 4.4978 4.4978 4.7647 4.7647 4.8130 4.8130 5.0224 5.0224 5.0371 5.0371 5.4571 5.4571 5.8433 5.8433 5.8780 5.8780 8.0310 8.0310 8.5287 8.5287 8.6368 8.6368 8.7054 8.7054 8.7177 8.7177 9.6872 9.6872 11.7502 11.7502 k = 0.0000 0.3103-0.0000 ( 6323 PWs) bands (ev): -48.5916 -48.5916 -26.2684 -26.2684 -24.2019 -24.2019 -24.2001 -24.2001 -6.9901 -6.9901 -6.3186 -6.3186 -6.1217 -6.1217 -6.0993 -6.0993 0.6515 0.6515 0.8616 0.8616 1.7318 1.7318 1.8948 1.8948 2.2279 2.2279 2.2429 2.2429 2.5034 2.5034 2.7919 2.7919 2.8158 2.8158 2.9643 2.9643 3.4821 3.4821 3.5103 3.5103 3.6435 3.6435 3.9552 3.9552 4.0800 4.0800 4.2224 4.2224 4.2396 4.2396 4.3778 4.3778 4.4453 4.4453 4.4937 4.4937 4.7578 4.7578 4.8047 4.8047 5.0264 5.0264 5.0417 5.0417 5.4253 5.4253 5.8405 5.8405 5.8736 5.8736 8.0177 8.0177 8.5383 8.5383 8.6549 8.6549 8.7262 8.7262 8.7373 8.7373 9.7752 9.7752 11.7268 11.7268 k = 0.0000 0.3276-0.0000 ( 6311 PWs) bands (ev): -48.5916 -48.5916 -26.2684 -26.2684 -24.2020 -24.2020 -24.2001 -24.2001 -6.9730 -6.9730 -6.3375 -6.3375 -6.1218 -6.1218 -6.0993 -6.0993 0.6649 0.6649 0.8985 0.8985 1.7114 1.7114 1.9069 1.9069 2.2353 2.2353 2.2498 2.2498 2.4775 2.4775 2.7872 2.7872 2.8112 2.8112 2.9234 2.9234 3.4821 3.4821 3.5113 3.5113 3.6492 3.6492 3.9802 3.9802 4.0724 4.0724 4.2135 4.2135 4.2362 4.2362 4.3740 4.3740 4.4442 4.4442 4.4882 4.4882 4.7514 4.7514 4.7970 4.7970 5.0306 5.0306 5.0468 5.0468 5.3948 5.3948 5.8378 5.8378 5.8696 5.8696 8.0055 8.0055 8.5474 8.5474 8.6720 8.6720 8.7460 8.7460 8.7558 8.7558 9.8617 9.8617 11.7046 11.7046 k = 0.0000 0.3448-0.0000 ( 6311 PWs) bands (ev): -48.5916 -48.5916 -26.2685 -26.2685 -24.2021 -24.2021 -24.2001 -24.2001 -6.9558 -6.9558 -6.3563 -6.3563 -6.1218 -6.1218 -6.0994 -6.0994 0.6779 0.6779 0.9362 0.9362 1.6848 1.6848 1.9254 1.9254 2.2423 2.2423 2.2565 2.2565 2.4529 2.4529 2.7825 2.7825 2.8067 2.8067 2.8826 2.8826 3.4822 3.4822 3.5122 3.5122 3.6544 3.6544 4.0048 4.0048 4.0654 4.0654 4.2054 4.2054 4.2331 4.2331 4.3697 4.3697 4.4431 4.4431 4.4813 4.4813 4.7455 4.7455 4.7899 4.7899 5.0351 5.0351 5.0523 5.0523 5.3656 5.3656 5.8354 5.8354 5.8661 5.8661 7.9944 7.9944 8.5559 8.5559 8.6881 8.6881 8.7644 8.7644 8.7731 8.7731 9.9458 9.9458 11.6834 11.6834 k = 0.0000 0.3621-0.0000 ( 6323 PWs) bands (ev): -48.5916 -48.5916 -26.2685 -26.2685 -24.2022 -24.2022 -24.2001 -24.2001 -6.9389 -6.9389 -6.3748 -6.3748 -6.1219 -6.1219 -6.0994 -6.0994 0.6902 0.6902 0.9744 0.9744 1.6544 1.6544 1.9477 1.9477 2.2490 2.2490 2.2627 2.2627 2.4298 2.4298 2.7775 2.7775 2.8025 2.8025 2.8426 2.8426 3.4822 3.4822 3.5131 3.5131 3.6592 3.6592 4.0289 4.0289 4.0592 4.0592 4.1981 4.1981 4.2300 4.2300 4.3649 4.3649 4.4418 4.4418 4.4734 4.4734 4.7400 4.7400 4.7833 4.7833 5.0399 5.0399 5.0582 5.0582 5.3378 5.3378 5.8331 5.8331 5.8630 5.8630 7.9845 7.9845 8.5638 8.5638 8.7028 8.7028 8.7813 8.7813 8.7889 8.7889 10.0267 10.0267 11.6633 11.6633 k = 0.0000 0.3793-0.0000 ( 6319 PWs) bands (ev): -48.5916 -48.5916 -26.2686 -26.2686 -24.2023 -24.2023 -24.2001 -24.2001 -6.9224 -6.9224 -6.3927 -6.3927 -6.1219 -6.1219 -6.0995 -6.0995 0.7017 0.7017 1.0129 1.0129 1.6217 1.6217 1.9721 1.9721 2.2552 2.2552 2.2685 2.2685 2.4086 2.4086 2.7708 2.7708 2.7980 2.7980 2.8060 2.8060 3.4823 3.4823 3.5140 3.5140 3.6636 3.6636 4.0503 4.0503 4.0556 4.0556 4.1918 4.1918 4.2272 4.2272 4.3596 4.3596 4.4405 4.4405 4.4649 4.4649 4.7352 4.7352 4.7773 4.7773 5.0446 5.0446 5.0651 5.0651 5.3115 5.3115 5.8310 5.8310 5.8603 5.8603 7.9756 7.9756 8.5710 8.5710 8.7162 8.7162 8.7966 8.7966 8.8031 8.8031 10.1031 10.1031 11.6441 11.6441 k = 0.0000 0.3966-0.0000 ( 6311 PWs) bands (ev): -48.5915 -48.5915 -26.2686 -26.2686 -24.2024 -24.2024 -24.2001 -24.2001 -6.9067 -6.9067 -6.4096 -6.4096 -6.1219 -6.1219 -6.0995 -6.0995 0.7122 0.7122 1.0513 1.0513 1.5878 1.5878 1.9973 1.9973 2.2608 2.2608 2.2737 2.2737 2.3896 2.3896 2.7530 2.7530 2.7806 2.7806 2.7956 2.7956 3.4824 3.4824 3.5148 3.5148 3.6675 3.6675 4.0483 4.0483 4.0751 4.0751 4.1866 4.1866 4.2248 4.2248 4.3538 4.3538 4.4388 4.4388 4.4565 4.4565 4.7309 4.7309 4.7721 4.7721 5.0489 5.0489 5.0730 5.0730 5.2868 5.2868 5.8292 5.8292 5.8581 5.8581 7.9680 7.9680 8.5774 8.5774 8.7280 8.7280 8.8102 8.8102 8.8156 8.8156 10.1741 10.1741 11.6259 11.6259 k = 0.0000 0.4138-0.0000 ( 6323 PWs) bands (ev): -48.5916 -48.5916 -26.2686 -26.2686 -24.2025 -24.2025 -24.2001 -24.2001 -6.8922 -6.8922 -6.4253 -6.4253 -6.1219 -6.1219 -6.0995 -6.0995 0.7214 0.7214 1.0892 1.0892 1.5535 1.5535 2.0222 2.0222 2.2657 2.2657 2.2783 2.2783 2.3730 2.3730 2.7215 2.7215 2.7731 2.7731 2.7924 2.7924 3.4824 3.4824 3.5154 3.5154 3.6708 3.6708 4.0442 4.0442 4.0956 4.0956 4.1827 4.1827 4.2226 4.2226 4.3475 4.3475 4.4361 4.4361 4.4493 4.4493 4.7273 4.7273 4.7676 4.7676 5.0525 5.0525 5.0821 5.0821 5.2635 5.2635 5.8276 5.8276 5.8562 5.8562 7.9614 7.9614 8.5829 8.5829 8.7381 8.7381 8.8219 8.8219 8.8262 8.8262 10.2381 10.2381 11.6090 11.6090 k = 0.0000 0.4310-0.0000 ( 6319 PWs) bands (ev): -48.5916 -48.5916 -26.2687 -26.2687 -24.2026 -24.2026 -24.2001 -24.2001 -6.8794 -6.8794 -6.4391 -6.4391 -6.1218 -6.1218 -6.0996 -6.0996 0.7292 0.7292 1.1258 1.1258 1.5196 1.5196 2.0457 2.0457 2.2699 2.2699 2.2821 2.2821 2.3590 2.3590 2.6900 2.6900 2.7694 2.7694 2.7897 2.7897 3.4825 3.4825 3.5160 3.5160 3.6736 3.6736 4.0408 4.0408 4.1136 4.1136 4.1806 4.1806 4.2208 4.2208 4.3407 4.3407 4.4314 4.4314 4.4449 4.4449 4.7243 4.7243 4.7638 4.7638 5.0553 5.0553 5.0923 5.0923 5.2419 5.2419 5.8263 5.8263 5.8548 5.8548 7.9561 7.9561 8.5875 8.5875 8.7466 8.7466 8.8316 8.8316 8.8350 8.8350 10.2937 10.2937 11.5936 11.5936 k = 0.0000 0.4483-0.0000 ( 6343 PWs) bands (ev): -48.5917 -48.5917 -26.2687 -26.2687 -24.2027 -24.2027 -24.2001 -24.2001 -6.8686 -6.8686 -6.4506 -6.4506 -6.1218 -6.1218 -6.0996 -6.0996 0.7355 0.7355 1.1600 1.1600 1.4875 1.4875 2.0664 2.0664 2.2731 2.2731 2.2851 2.2851 2.3480 2.3480 2.6625 2.6625 2.7668 2.7668 2.7876 2.7876 3.4825 3.4825 3.5165 3.5165 3.6758 3.6758 4.0381 4.0381 4.1278 4.1278 4.1806 4.1806 4.2196 4.2196 4.3337 4.3337 4.4259 4.4259 4.4427 4.4427 4.7219 4.7219 4.7608 4.7608 5.0575 5.0575 5.1033 5.1033 5.2223 5.2223 5.8252 5.8252 5.8536 5.8536 7.9519 7.9519 8.5911 8.5911 8.7532 8.7532 8.8393 8.8393 8.8418 8.8418 10.3394 10.3394 11.5804 11.5804 k = 0.0000 0.4655-0.0000 ( 6342 PWs) bands (ev): -48.5917 -48.5917 -26.2687 -26.2687 -24.2027 -24.2027 -24.2001 -24.2001 -6.8604 -6.8604 -6.4593 -6.4593 -6.1218 -6.1218 -6.0996 -6.0996 0.7400 0.7400 1.1897 1.1897 1.4592 1.4592 2.0827 2.0827 2.2756 2.2756 2.2873 2.2873 2.3399 2.3399 2.6411 2.6411 2.7651 2.7651 2.7861 2.7861 3.4826 3.4826 3.5168 3.5168 3.6774 3.6774 4.0362 4.0362 4.1372 4.1372 4.1828 4.1828 4.2189 4.2189 4.3272 4.3272 4.4211 4.4211 4.4417 4.4417 4.7203 4.7203 4.7586 4.7586 5.0590 5.0590 5.1143 5.1143 5.2052 5.2052 5.8244 5.8244 5.8528 5.8528 7.9490 7.9490 8.5937 8.5937 8.7580 8.7580 8.8450 8.8450 8.8466 8.8466 10.3734 10.3734 11.5702 11.5702 k = 0.0000 0.4828-0.0000 ( 6358 PWs) bands (ev): -48.5918 -48.5918 -26.2687 -26.2687 -24.2027 -24.2027 -24.2001 -24.2001 -6.8553 -6.8553 -6.4648 -6.4648 -6.1218 -6.1218 -6.0996 -6.0996 0.7428 0.7428 1.2112 1.2112 1.4386 1.4386 2.0933 2.0933 2.2771 2.2771 2.2886 2.2886 2.3351 2.3351 2.6274 2.6274 2.7641 2.7641 2.7852 2.7852 3.4826 3.4826 3.5170 3.5170 3.6783 3.6783 4.0350 4.0350 4.1420 4.1420 4.1856 4.1856 4.2186 4.2186 4.3225 4.3225 4.4179 4.4179 4.4412 4.4412 4.7192 4.7192 4.7573 4.7573 5.0599 5.0599 5.1235 5.1235 5.1924 5.1924 5.8240 5.8240 5.8523 5.8523 7.9471 7.9471 8.5953 8.5953 8.7608 8.7608 8.8485 8.8485 8.8494 8.8494 10.3945 10.3945 11.5636 11.5636 k = 0.0000 0.5000-0.0000 ( 6382 PWs) bands (ev): -48.5919 -48.5919 -26.2687 -26.2687 -24.2027 -24.2027 -24.2001 -24.2001 -6.8535 -6.8535 -6.4666 -6.4666 -6.1218 -6.1218 -6.0996 -6.0996 0.7437 0.7437 1.2193 1.2193 1.4308 1.4308 2.0970 2.0970 2.2776 2.2776 2.2891 2.2891 2.3334 2.3334 2.6227 2.6227 2.7637 2.7637 2.7848 2.7848 3.4826 3.4826 3.5171 3.5171 3.6786 3.6786 4.0346 4.0346 4.1433 4.1433 4.1869 4.1869 4.2185 4.2185 4.3206 4.3206 4.4168 4.4168 4.4410 4.4410 4.7188 4.7188 4.7568 4.7568 5.0601 5.0601 5.1275 5.1275 5.1872 5.1872 5.8238 5.8238 5.8522 5.8522 7.9465 7.9465 8.5958 8.5958 8.7618 8.7618 8.8499 8.8499 8.8501 8.8501 10.4016 10.4016 11.5613 11.5613 k = 0.0000 0.5000-0.0000 ( 6382 PWs) bands (ev): -48.5919 -48.5919 -26.2687 -26.2687 -24.2027 -24.2027 -24.2001 -24.2001 -6.8535 -6.8535 -6.4666 -6.4666 -6.1218 -6.1218 -6.0996 -6.0996 0.7437 0.7437 1.2193 1.2193 1.4308 1.4308 2.0970 2.0970 2.2776 2.2776 2.2891 2.2891 2.3334 2.3334 2.6227 2.6227 2.7637 2.7637 2.7848 2.7848 3.4826 3.4826 3.5171 3.5171 3.6786 3.6786 4.0346 4.0346 4.1433 4.1433 4.1869 4.1869 4.2185 4.2185 4.3206 4.3206 4.4168 4.4168 4.4410 4.4410 4.7188 4.7188 4.7568 4.7568 5.0601 5.0601 5.1275 5.1275 5.1872 5.1872 5.8238 5.8238 5.8522 5.8522 7.9465 7.9465 8.5958 8.5958 8.7618 8.7618 8.8499 8.8499 8.8501 8.8501 10.4016 10.4016 11.5613 11.5613 k = 0.0172 0.5000-0.0000 ( 6350 PWs) bands (ev): -48.5917 -48.5917 -26.2687 -26.2687 -24.2027 -24.2027 -24.2001 -24.2001 -6.8530 -6.8530 -6.4668 -6.4660 -6.1227 -6.1217 -6.1000 -6.0999 0.7443 0.7449 1.2195 1.2195 1.4307 1.4308 2.0966 2.0977 2.2768 2.2782 2.2886 2.2892 2.3327 2.3343 2.6218 2.6235 2.7632 2.7636 2.7842 2.7849 3.4811 3.4813 3.5144 3.5166 3.6796 3.6800 4.0330 4.0356 4.1369 4.1485 4.1831 4.1868 4.2128 4.2304 4.3194 4.3220 4.4128 4.4195 4.4344 4.4527 4.7132 4.7216 4.7495 4.7628 5.0572 5.0683 5.1250 5.1293 5.1828 5.1926 5.8195 5.8264 5.8508 5.8517 7.9469 7.9491 8.5959 8.5989 8.7501 8.7654 8.8421 8.8474 8.8524 8.8655 10.4028 10.4035 11.5623 11.5643 k = 0.0345 0.5000-0.0000 ( 6346 PWs) bands (ev): -48.5917 -48.5917 -26.2687 -26.2687 -24.2027 -24.2027 -24.2001 -24.2001 -6.8515 -6.8514 -6.4665 -6.4650 -6.1242 -6.1222 -6.1011 -6.1009 0.7466 0.7477 1.2201 1.2201 1.4306 1.4307 2.0963 2.0985 2.2755 2.2783 2.2880 2.2892 2.3321 2.3353 2.6208 2.6241 2.7620 2.7626 2.7828 2.7844 3.4767 3.4771 3.5087 3.5128 3.6826 3.6833 4.0307 4.0357 4.1298 4.1515 4.1753 4.1856 4.2135 4.2445 4.3179 4.3239 4.4099 4.4149 4.4386 4.4666 4.7031 4.7223 4.7431 4.7655 5.0597 5.0795 5.1221 5.1304 5.1792 5.1996 5.8134 5.8271 5.8476 5.8495 7.9502 7.9546 8.5988 8.6049 8.7351 8.7584 8.8397 8.8432 8.8592 8.8854 10.4070 10.4084 11.5672 11.5711 k = 0.0517 0.5000-0.0000 ( 6350 PWs) bands (ev): -48.5917 -48.5917 -26.2687 -26.2687 -24.2027 -24.2027 -24.2002 -24.2002 -6.8490 -6.8489 -6.4658 -6.4636 -6.1264 -6.1235 -6.1027 -6.1026 0.7505 0.7522 1.2210 1.2210 1.4303 1.4305 2.0962 2.0995 2.2737 2.2776 2.2875 2.2890 2.3316 2.3364 2.6197 2.6246 2.7601 2.7607 2.7807 2.7835 3.4698 3.4700 3.5003 3.5060 3.6875 3.6885 4.0277 4.0351 4.1228 4.1508 4.1683 4.1846 4.2167 4.2588 4.3167 4.3271 4.4079 4.4082 4.4488 4.4819 4.6886 4.7211 4.7389 4.7645 5.0665 5.0914 5.1197 5.1315 5.1768 5.2087 5.8057 5.8261 5.8427 5.8456 7.9564 7.9630 8.6040 8.6138 8.7200 8.7450 8.8359 8.8370 8.8734 8.9074 10.4142 10.4164 11.5760 11.5816 k = 0.0690 0.5000-0.0000 ( 6340 PWs) bands (ev): -48.5917 -48.5917 -26.2688 -26.2688 -24.2028 -24.2028 -24.2002 -24.2002 -6.8455 -6.8453 -6.4647 -6.4617 -6.1293 -6.1256 -6.1050 -6.1049 0.7561 0.7584 1.2222 1.2223 1.4299 1.4301 2.0964 2.1007 2.2712 2.2756 2.2878 2.2892 2.3313 2.3377 2.6185 2.6249 2.7576 2.7577 2.7780 2.7823 3.4602 3.4606 3.4897 3.4962 3.6939 3.6950 4.0243 4.0338 4.1165 4.1452 4.1657 4.1840 4.2199 4.2708 4.3172 4.3319 4.4016 4.4077 4.4615 4.4985 4.6713 4.7179 4.7365 4.7611 5.0739 5.1003 5.1200 5.1340 5.1766 5.2212 5.7965 5.8234 5.8363 5.8401 7.9654 7.9742 8.6102 8.6246 8.7069 8.7300 8.8290 8.8295 8.8921 8.9305 10.4245 10.4273 11.5886 11.5959 k = 0.0862 0.5000-0.0000 ( 6328 PWs) bands (ev): -48.5916 -48.5916 -26.2688 -26.2688 -24.2028 -24.2028 -24.2003 -24.2003 -6.8410 -6.8408 -6.4631 -6.4595 -6.1329 -6.1286 -6.1078 -6.1077 0.7633 0.7661 1.2239 1.2239 1.4294 1.4296 2.0969 2.1023 2.2678 2.2725 2.2888 2.2897 2.3312 2.3390 2.6172 2.6252 2.7535 2.7543 2.7748 2.7810 3.4478 3.4493 3.4771 3.4839 3.7015 3.7026 4.0207 4.0321 4.1111 4.1378 4.1656 4.1839 4.2222 4.2780 4.3214 4.3381 4.3968 4.4085 4.4759 4.5159 4.6525 4.7118 4.7352 4.7567 5.0765 5.1033 5.1243 5.1388 5.1810 5.2378 5.7861 5.8191 5.8286 5.8333 7.9772 7.9881 8.6153 8.6358 8.6983 8.7165 8.8197 8.8215 8.9127 8.9541 10.4377 10.4412 11.6048 11.6135 k = 0.1034 0.5000-0.0000 ( 6322 PWs) bands (ev): -48.5916 -48.5916 -26.2688 -26.2688 -24.2028 -24.2028 -24.2003 -24.2003 -6.8355 -6.8353 -6.4611 -6.4568 -6.1373 -6.1325 -6.1113 -6.1108 0.7721 0.7754 1.2258 1.2258 1.4286 1.4289 2.0979 2.1042 2.2636 2.2684 2.2902 2.2907 2.3313 2.3405 2.6160 2.6253 2.7481 2.7501 2.7713 2.7796 3.4329 3.4361 3.4629 3.4692 3.7098 3.7108 4.0172 4.0300 4.1068 4.1307 4.1659 4.1841 4.2236 4.2797 4.3293 4.3446 4.3943 4.4109 4.4913 4.5338 4.6332 4.7025 4.7347 4.7530 5.0730 5.1012 5.1285 5.1442 5.1942 5.2588 5.7744 5.8128 5.8201 5.8261 7.9916 8.0047 8.6159 8.6439 8.6970 8.7081 8.8095 8.8127 8.9341 8.9777 10.4538 10.4580 11.6243 11.6340 k = 0.1207 0.5000-0.0000 ( 6314 PWs) bands (ev): -48.5915 -48.5915 -26.2688 -26.2688 -24.2028 -24.2028 -24.2004 -24.2004 -6.8291 -6.8288 -6.4588 -6.4537 -6.1424 -6.1374 -6.1153 -6.1142 0.7823 0.7862 1.2280 1.2280 1.4276 1.4278 2.0993 2.1066 2.2587 2.2637 2.2919 2.2919 2.3318 2.3421 2.6148 2.6254 2.7415 2.7448 2.7677 2.7781 3.4158 3.4212 3.4475 3.4525 3.7186 3.7194 4.0139 4.0277 4.1037 4.1248 4.1663 4.1845 4.2243 4.2780 4.3371 4.3502 4.3956 4.4153 4.5074 4.5518 4.6142 4.6906 4.7349 4.7503 5.0659 5.0958 5.1284 5.1482 5.2169 5.2832 5.7618 5.8040 5.8114 5.8194 8.0085 8.0236 8.6109 8.6440 8.7033 8.7087 8.7997 8.8047 8.9558 9.0011 10.4728 10.4775 11.6467 11.6567 k = 0.1379 0.5000-0.0000 ( 6314 PWs) bands (ev): -48.5915 -48.5915 -26.2689 -26.2689 -24.2028 -24.2028 -24.2004 -24.2004 -6.8217 -6.8214 -6.4560 -6.4503 -6.1484 -6.1432 -6.1196 -6.1179 0.7939 0.7984 1.2304 1.2304 1.4262 1.4265 2.1013 2.1095 2.2533 2.2585 2.2935 2.2936 2.3327 2.3439 2.6138 2.6254 2.7338 2.7383 2.7643 2.7764 3.3968 3.4045 3.4310 3.4341 3.7275 3.7281 4.0111 4.0256 4.1018 4.1203 4.1665 4.1850 4.2246 4.2749 4.3414 4.3540 4.4021 4.4218 4.5236 4.5693 4.5965 4.6769 4.7357 4.7486 5.0568 5.0884 5.1245 5.1501 5.2456 5.3099 5.7481 5.7926 5.8031 5.8140 8.0278 8.0450 8.6021 8.6364 8.7127 8.7150 8.7931 8.8008 8.9775 9.0242 10.4946 10.4998 11.6709 11.6801 k = 0.1552 0.5000-0.0000 ( 6318 PWs) bands (ev): -48.5916 -48.5916 -26.2689 -26.2689 -24.2029 -24.2029 -24.2005 -24.2005 -6.8135 -6.8131 -6.4529 -6.4465 -6.1553 -6.1501 -6.1243 -6.1219 0.8069 0.8119 1.2331 1.2331 1.4244 1.4246 2.1041 2.1131 2.2476 2.2531 2.2952 2.2952 2.3341 2.3459 2.6128 2.6255 2.7251 2.7306 2.7610 2.7747 3.3761 3.3864 3.4135 3.4145 3.7364 3.7367 4.0089 4.0240 4.1012 4.1170 4.1666 4.1856 4.2250 4.2714 4.3416 4.3556 4.4133 4.4296 4.5394 4.5758 4.5906 4.6627 4.7373 4.7474 5.0464 5.0794 5.1181 5.1497 5.2774 5.3375 5.7335 5.7789 5.7963 5.8102 8.0493 8.0684 8.5916 8.6253 8.7180 8.7181 8.7947 8.8056 8.9988 9.0466 10.5191 10.5248 11.6952 11.7016 k = 0.1724 0.5000-0.0000 ( 6318 PWs) bands (ev): -48.5916 -48.5916 -26.2689 -26.2689 -24.2029 -24.2029 -24.2006 -24.2006 -6.8044 -6.8040 -6.4494 -6.4424 -6.1629 -6.1578 -6.1294 -6.1261 0.8211 0.8265 1.2358 1.2359 1.4222 1.4223 2.1077 2.1175 2.2418 2.2475 2.2967 2.2970 2.3360 2.3482 2.6121 2.6256 2.7155 2.7217 2.7579 2.7728 3.3541 3.3668 3.3938 3.3950 3.7450 3.7450 4.0073 4.0229 4.1017 4.1150 4.1667 4.1862 4.2255 4.2680 4.3392 4.3553 4.4273 4.4375 4.5535 4.5627 4.6056 4.6494 4.7399 4.7466 5.0352 5.0691 5.1100 5.1474 5.3101 5.3645 5.7178 5.7636 5.7923 5.8083 8.0728 8.0937 8.5808 8.6135 8.7132 8.7144 8.8081 8.8212 9.0196 9.0684 10.5461 10.5522 11.7160 11.7173 k = 0.1897 0.5000-0.0000 ( 6308 PWs) bands (ev): -48.5915 -48.5915 -26.2690 -26.2690 -24.2030 -24.2030 -24.2007 -24.2007 -6.7945 -6.7941 -6.4455 -6.4380 -6.1714 -6.1665 -6.1346 -6.1305 0.8364 0.8423 1.2388 1.2388 1.4194 1.4195 2.1123 2.1228 2.2360 2.2420 2.2980 2.2989 2.3386 2.3507 2.6115 2.6257 2.7050 2.7117 2.7551 2.7708 3.3310 3.3459 3.3723 3.3756 3.7530 3.7533 4.0064 4.0228 4.1033 4.1139 4.1668 4.1866 4.2263 4.2648 4.3357 4.3537 4.4426 4.4436 4.5517 4.5640 4.6209 4.6395 4.7434 4.7461 5.0235 5.0579 5.1004 5.1430 5.3422 5.3896 5.7012 5.7470 5.7919 5.8089 8.0981 8.1207 8.5703 8.6019 8.7025 8.7041 8.8303 8.8447 9.0399 9.0893 10.5757 10.5821 11.7227 11.7278 k = 0.2069 0.5000-0.0000 ( 6304 PWs) bands (ev): -48.5915 -48.5915 -26.2690 -26.2690 -24.2030 -24.2030 -24.2008 -24.2008 -6.7839 -6.7834 -6.4413 -6.4332 -6.1807 -6.1760 -6.1401 -6.1352 0.8528 0.8591 1.2418 1.2419 1.4159 1.4160 2.1179 2.1291 2.2304 2.2367 2.2990 2.3008 2.3417 2.3535 2.6112 2.6260 2.6936 2.7008 2.7524 2.7687 3.3073 3.3239 3.3502 3.3553 3.7604 3.7609 4.0063 4.0236 4.1060 4.1138 4.1668 4.1869 4.2274 4.2621 4.3315 4.3509 4.4460 4.4584 4.5456 4.5671 4.6348 4.6364 4.7457 4.7480 5.0113 5.0457 5.0896 5.1367 5.3726 5.4119 5.6837 5.7293 5.7963 5.8126 8.1249 8.1492 8.5605 8.5909 8.6889 8.6906 8.8574 8.8725 9.0593 9.1091 10.6075 10.6142 11.7162 11.7264 k = 0.2241 0.5000-0.0000 ( 6300 PWs) bands (ev): -48.5914 -48.5914 -26.2691 -26.2691 -24.2031 -24.2031 -24.2008 -24.2008 -6.7725 -6.7720 -6.4369 -6.4282 -6.1908 -6.1862 -6.1458 -6.1402 0.8700 0.8768 1.2448 1.2450 1.4117 1.4118 2.1246 2.1364 2.2252 2.2317 2.2999 2.3026 2.3454 2.3566 2.6112 2.6263 2.6815 2.6890 2.7499 2.7665 3.2831 3.3012 3.3274 3.3341 3.7673 3.7679 4.0068 4.0255 4.1096 4.1143 4.1670 4.1868 4.2289 4.2598 4.3274 4.3474 4.4436 4.4741 4.5454 4.5615 4.6418 4.6471 4.7454 4.7538 4.9990 5.0329 5.0777 5.1284 5.4001 5.4306 5.6655 5.7109 5.8059 5.8201 8.1530 8.1787 8.5515 8.5807 8.6742 8.6760 8.8872 8.9027 9.0780 9.1279 10.6414 10.6483 11.6994 11.7120 k = 0.2414 0.5000-0.0000 ( 6296 PWs) bands (ev): -48.5914 -48.5914 -26.2691 -26.2691 -24.2032 -24.2032 -24.2009 -24.2009 -6.7605 -6.7600 -6.4321 -6.4230 -6.2015 -6.1971 -6.1517 -6.1453 0.8880 0.8951 1.2479 1.2481 1.4067 1.4070 2.1326 2.1449 2.2206 2.2273 2.3006 2.3043 2.3496 2.3601 2.6114 2.6267 2.6688 2.6765 2.7476 2.7642 3.2588 3.2779 3.3041 3.3121 3.7736 3.7742 4.0079 4.0284 4.1140 4.1154 4.1673 4.1863 4.2307 4.2582 4.3235 4.3433 4.4368 4.4894 4.5505 4.5505 4.6525 4.6576 4.7453 4.7604 4.9865 5.0195 5.0646 5.1183 5.4240 5.4452 5.6471 5.6919 5.8208 5.8316 8.1822 8.2091 8.5434 8.5713 8.6592 8.6613 8.9183 8.9340 9.0957 9.1455 10.6774 10.6843 11.6743 11.6874 k = 0.2586 0.5000-0.0000 ( 6292 PWs) bands (ev): -48.5914 -48.5914 -26.2692 -26.2692 -24.2032 -24.2032 -24.2010 -24.2010 -6.7479 -6.7473 -6.4271 -6.4176 -6.2129 -6.2087 -6.1577 -6.1507 0.9066 0.9141 1.2509 1.2511 1.4008 1.4013 2.1418 2.1545 2.2167 2.2235 2.3013 2.3059 2.3542 2.3638 2.6119 2.6270 2.6554 2.6635 2.7454 2.7619 3.2345 3.2543 3.2803 3.2895 3.7792 3.7797 4.0097 4.0323 4.1169 4.1190 4.1678 4.1853 4.2329 4.2574 4.3199 4.3386 4.4275 4.5029 4.5383 4.5591 4.6654 4.6666 4.7453 4.7676 4.9740 5.0057 5.0507 5.1064 5.4439 5.4561 5.6287 5.6726 5.8405 5.8473 8.2121 8.2400 8.5361 8.5627 8.6447 8.6472 8.9500 8.9658 9.1125 9.1617 10.7151 10.7221 11.6429 11.6555 k = 0.2759 0.5000-0.0000 ( 6296 PWs) bands (ev): -48.5914 -48.5914 -26.2692 -26.2692 -24.2033 -24.2033 -24.2011 -24.2011 -6.7348 -6.7342 -6.4219 -6.4121 -6.2248 -6.2208 -6.1638 -6.1563 0.9258 0.9335 1.2539 1.2541 1.3940 1.3948 2.1521 2.1652 2.2138 2.2206 2.3018 2.3073 2.3591 2.3678 2.6126 2.6269 2.6415 2.6503 2.7435 2.7595 3.2105 3.2308 3.2562 3.2662 3.7843 3.7846 4.0121 4.0371 4.1187 4.1244 4.1684 4.1838 4.2355 4.2574 4.3168 4.3336 4.4170 4.5079 4.5332 4.5697 4.6742 4.6786 4.7455 4.7749 4.9616 4.9915 5.0359 5.0929 5.4596 5.4637 5.6106 5.6533 5.8639 5.8668 8.2423 8.2711 8.5296 8.5550 8.6309 8.6339 8.9818 8.9974 9.1282 9.1766 10.7543 10.7613 11.6068 11.6182 k = 0.2931 0.5000-0.0000 ( 6296 PWs) bands (ev): -48.5914 -48.5914 -26.2693 -26.2693 -24.2034 -24.2034 -24.2011 -24.2011 -6.7212 -6.7206 -6.4166 -6.4064 -6.2372 -6.2333 -6.1699 -6.1620 0.9453 0.9532 1.2567 1.2569 1.3864 1.3874 2.1634 2.1768 2.2122 2.2188 2.3024 2.3086 2.3642 2.3720 2.6134 2.6242 2.6271 2.6392 2.7417 2.7571 3.1870 3.2074 3.2319 3.2426 3.7887 3.7888 4.0151 4.0426 4.1204 4.1299 4.1693 4.1818 4.2384 4.2585 4.3143 4.3283 4.4066 4.4978 4.5426 4.5814 4.6810 4.6914 4.7461 4.7816 4.9494 4.9773 5.0204 5.0779 5.4688 5.4716 5.5931 5.6343 5.8895 5.8900 8.2727 8.3019 8.5240 8.5479 8.6184 8.6217 9.0132 9.0285 9.1428 9.1900 10.7949 10.8017 11.5671 11.5773 k = 0.3103 0.5000-0.0000 ( 6296 PWs) bands (ev): -48.5914 -48.5914 -26.2693 -26.2693 -24.2035 -24.2035 -24.2012 -24.2012 -6.7073 -6.7067 -6.4112 -6.4008 -6.2500 -6.2461 -6.1761 -6.1679 0.9650 0.9731 1.2594 1.2596 1.3779 1.3792 2.1748 2.1883 2.2126 2.2191 2.3031 2.3097 2.3695 2.3764 2.6106 2.6143 2.6162 2.6347 2.7401 2.7547 3.1642 3.1844 3.2076 3.2188 3.7923 3.7926 4.0187 4.0487 4.1220 4.1351 4.1704 4.1793 4.2418 4.2606 4.3123 4.3228 4.3967 4.4830 4.5562 4.5937 4.6871 4.7032 4.7472 4.7874 4.9376 4.9633 5.0045 5.0619 5.4721 5.4803 5.5766 5.6158 5.9144 5.9176 8.3027 8.3321 8.5191 8.5415 8.6072 8.6110 9.0438 9.0584 9.1564 9.2019 10.8365 10.8432 11.5253 11.5341 k = 0.3276 0.5000-0.0000 ( 6298 PWs) bands (ev): -48.5914 -48.5914 -26.2694 -26.2694 -24.2036 -24.2035 -24.2012 -24.2012 -6.6932 -6.6926 -6.4057 -6.3951 -6.2629 -6.2592 -6.1822 -6.1738 0.9849 0.9930 1.2619 1.2621 1.3685 1.3702 2.1847 2.1976 2.2169 2.2237 2.3038 2.3106 2.3748 2.3809 2.5960 2.5998 2.6169 2.6343 2.7388 2.7524 3.1423 3.1619 3.1838 3.1950 3.7954 3.7960 4.0228 4.0550 4.1233 4.1399 4.1716 4.1764 4.2456 4.2638 4.3109 4.3173 4.3877 4.4674 4.5706 4.6062 4.6931 4.7136 4.7490 4.7917 4.9263 4.9495 4.9882 5.0449 5.4742 5.4863 5.5612 5.5980 5.9405 5.9456 8.3320 8.3613 8.5149 8.5357 8.5976 8.6017 9.0731 9.0869 9.1689 9.2123 10.8789 10.8853 11.4825 11.4900 k = 0.3448 0.5000-0.0000 ( 6292 PWs) bands (ev): -48.5914 -48.5914 -26.2694 -26.2694 -24.2036 -24.2036 -24.2013 -24.2013 -6.6790 -6.6784 -6.4002 -6.3897 -6.2760 -6.2724 -6.1882 -6.1797 1.0047 1.0128 1.2642 1.2644 1.3584 1.3604 2.1911 2.2024 2.2268 2.2346 2.3046 2.3115 2.3801 2.3854 2.5801 2.5839 2.6185 2.6348 2.7377 2.7502 3.1215 3.1399 3.1609 3.1717 3.7980 3.7989 4.0274 4.0615 4.1241 4.1439 4.1729 4.1734 4.2499 4.2679 4.3099 4.3119 4.3798 4.4517 4.5851 4.6186 4.6991 4.7218 4.7521 4.7942 4.9156 4.9363 4.9718 5.0273 5.4755 5.4903 5.5473 5.5812 5.9669 5.9731 8.3603 8.3889 8.5113 8.5305 8.5896 8.5940 9.1008 9.1137 9.1803 9.2212 10.9218 10.9279 11.4399 11.4461 k = 0.3621 0.5000-0.0000 ( 6296 PWs) bands (ev): -48.5914 -48.5914 -26.2695 -26.2695 -24.2037 -24.2037 -24.2013 -24.2013 -6.6649 -6.6643 -6.3950 -6.3845 -6.2890 -6.2854 -6.1940 -6.1856 1.0242 1.0323 1.2663 1.2665 1.3476 1.3500 2.1945 2.2043 2.2416 2.2500 2.3055 2.3122 2.3853 2.3898 2.5637 2.5672 2.6203 2.6355 2.7368 2.7481 3.1020 3.1186 3.1393 3.1491 3.8002 3.8013 4.0324 4.0680 4.1243 4.1466 4.1707 4.1741 4.2548 4.2728 4.3070 4.3096 4.3730 4.4361 4.5996 4.6308 4.7055 4.7274 4.7569 4.7944 4.9057 4.9239 4.9554 5.0094 5.4764 5.4928 5.5351 5.5654 5.9926 5.9993 8.3871 8.4144 8.5084 8.5258 8.5833 8.5878 9.1266 9.1383 9.1907 9.2285 10.9648 10.9706 11.3986 11.4036 k = 0.3793 0.5000-0.0000 ( 6294 PWs) bands (ev): -48.5914 -48.5914 -26.2695 -26.2695 -24.2038 -24.2038 -24.2013 -24.2013 -6.6511 -6.6505 -6.3899 -6.3797 -6.3015 -6.2980 -6.1994 -6.1913 1.0435 1.0513 1.2681 1.2683 1.3363 1.3390 2.1966 2.2053 2.2595 2.2679 2.3064 2.3127 2.3902 2.3940 2.5468 2.5499 2.6222 2.6362 2.7362 2.7461 3.0839 3.0981 3.1195 3.1277 3.8021 3.8033 4.0380 4.0742 4.1238 4.1477 4.1688 4.1751 4.2603 4.2780 4.3028 4.3099 4.3671 4.4207 4.6140 4.6425 4.7124 4.7304 4.7631 4.7921 4.8968 4.9127 4.9395 4.9914 5.4770 5.4942 5.5245 5.5510 6.0169 6.0236 8.4119 8.4375 8.5060 8.5216 8.5786 8.5832 9.1502 9.1605 9.2002 9.2343 11.0076 11.0129 11.3595 11.3635 k = 0.3966 0.5000-0.0000 ( 6290 PWs) bands (ev): -48.5914 -48.5914 -26.2695 -26.2695 -24.2038 -24.2038 -24.2014 -24.2014 -6.6378 -6.6373 -6.3854 -6.3756 -6.3134 -6.3100 -6.2044 -6.1969 1.0621 1.0696 1.2697 1.2698 1.3247 1.3277 2.1984 2.2060 2.2792 2.2872 2.3074 2.3132 2.3948 2.3980 2.5294 2.5321 2.6243 2.6368 2.7359 2.7443 3.0675 3.0788 3.1017 3.1079 3.8037 3.8050 4.0439 4.0799 4.1228 4.1470 4.1680 4.1757 4.2665 4.2829 4.2995 4.3110 4.3620 4.4057 4.6283 4.6537 4.7199 4.7315 4.7700 4.7874 4.8891 4.9029 4.9242 4.9737 5.4775 5.4948 5.5158 5.5378 6.0392 6.0455 8.4343 8.4575 8.5043 8.5181 8.5754 8.5799 9.1714 9.1800 9.2087 9.2386 11.0494 11.0543 11.3236 11.3267 k = 0.4138 0.5000-0.0000 ( 6290 PWs) bands (ev): -48.5914 -48.5914 -26.2696 -26.2696 -24.2039 -24.2039 -24.2014 -24.2014 -6.6254 -6.6249 -6.3815 -6.3725 -6.3240 -6.3208 -6.2089 -6.2020 1.0798 1.0868 1.2709 1.2709 1.3132 1.3163 2.2001 2.2066 2.3001 2.3068 2.3092 2.3135 2.3989 2.4015 2.5113 2.5138 2.6263 2.6372 2.7357 2.7427 3.0529 3.0612 3.0863 3.0903 3.8051 3.8063 4.0501 4.0848 4.1214 4.1446 4.1682 4.1760 4.2731 4.2869 4.2974 4.3133 4.3575 4.3910 4.6425 4.6641 4.7283 4.7312 4.7766 4.7803 4.8827 4.8945 4.9102 4.9566 5.4780 5.4948 5.5089 5.5262 6.0589 6.0645 8.4540 8.4739 8.5031 8.5153 8.5738 8.5780 9.1899 9.1966 9.2165 9.2416 11.0897 11.0941 11.2918 11.2941 k = 0.4310 0.5000-0.0000 ( 6286 PWs) bands (ev): -48.5913 -48.5913 -26.2696 -26.2696 -24.2039 -24.2039 -24.2014 -24.2014 -6.6142 -6.6137 -6.3786 -6.3709 -6.3327 -6.3299 -6.2127 -6.2067 1.0963 1.1026 1.2715 1.2716 1.3022 1.3054 2.2017 2.2071 2.3093 2.3133 2.3223 2.3287 2.4025 2.4045 2.4927 2.4950 2.6283 2.6373 2.7358 2.7413 3.0404 3.0459 3.0732 3.0755 3.8062 3.8073 4.0566 4.0885 4.1199 4.1412 4.1690 4.1759 4.2799 4.2897 4.2969 4.3167 4.3534 4.3768 4.6565 4.6738 4.7297 4.7374 4.7712 4.7823 4.8778 4.8876 4.8981 4.9402 5.4787 5.4944 5.5038 5.5162 6.0757 6.0804 8.4706 8.4863 8.5024 8.5132 8.5736 8.5771 9.2056 9.2101 9.2234 9.2432 11.1275 11.1313 11.2648 11.2664 k = 0.4483 0.5000-0.0000 ( 6276 PWs) bands (ev): -48.5913 -48.5913 -26.2696 -26.2696 -24.2040 -24.2040 -24.2014 -24.2014 -6.6046 -6.6042 -6.3770 -6.3711 -6.3388 -6.3368 -6.2156 -6.2108 1.1110 1.1163 1.2715 1.2715 1.2927 1.2957 2.2033 2.2075 2.3102 2.3134 2.3443 2.3500 2.4055 2.4069 2.4734 2.4757 2.6302 2.6371 2.7360 2.7401 3.0301 3.0334 3.0628 3.0637 3.8071 3.8080 4.0632 4.0903 4.1193 4.1374 4.1700 4.1755 4.2857 4.2912 4.2990 4.3211 4.3495 4.3633 4.6702 4.6825 4.7274 4.7465 4.7612 4.7860 4.8742 4.8819 4.8892 4.9250 5.4797 5.4937 5.5003 5.5078 6.0892 6.0929 8.4837 8.4944 8.5024 8.5120 8.5744 8.5771 9.2182 9.2205 9.2296 9.2436 11.1612 11.1643 11.2431 11.2442 k = 0.4655 0.5000-0.0000 ( 6280 PWs) bands (ev): -48.5913 -48.5913 -26.2696 -26.2696 -24.2040 -24.2040 -24.2014 -24.2014 -6.5972 -6.5969 -6.3766 -6.3728 -6.3422 -6.3411 -6.2175 -6.2142 1.1232 1.1271 1.2703 1.2705 1.2861 1.2882 2.2048 2.2076 2.3111 2.3133 2.3667 2.3715 2.4078 2.4086 2.4533 2.4558 2.6320 2.6367 2.7364 2.7391 3.0223 3.0241 3.0551 3.0552 3.8078 3.8084 4.0697 4.0896 4.1201 4.1334 4.1711 4.1748 4.2889 4.2918 4.3051 4.3256 4.3456 4.3505 4.6830 4.6900 4.7247 4.7466 4.7597 4.7867 4.8719 4.8774 4.8848 4.9112 5.4812 5.4922 5.4981 5.5016 6.0992 6.1017 8.4929 8.4984 8.5034 8.5115 8.5758 8.5774 9.2276 9.2281 9.2344 9.2428 11.1887 11.1909 11.2274 11.2280 k = 0.4828 0.5000-0.0000 ( 6276 PWs) bands (ev): -48.5913 -48.5913 -26.2696 -26.2696 -24.2040 -24.2040 -24.2014 -24.2014 -6.5925 -6.5923 -6.3767 -6.3750 -6.3436 -6.3433 -6.2183 -6.2166 1.1317 1.1338 1.2683 1.2686 1.2829 1.2839 2.2059 2.2074 2.3118 2.3130 2.3889 2.3928 2.4093 2.4096 2.4326 2.4355 2.6335 2.6359 2.7369 2.7382 3.0176 3.0184 3.0502 3.0503 3.8083 3.8086 4.0760 4.0865 4.1223 4.1294 4.1721 4.1740 4.2904 4.2917 4.3139 4.3288 4.3399 4.3417 4.6936 4.6958 4.7233 4.7360 4.7686 4.7837 4.8709 4.8740 4.8855 4.8996 5.4833 5.4895 5.4970 5.4982 6.1056 6.1068 8.4976 8.4996 8.5061 8.5109 8.5770 8.5778 9.2337 9.2339 9.2371 9.2409 11.2071 11.2080 11.2183 11.2184 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -48.5912 -48.5912 -26.2696 -26.2696 -24.2040 -24.2040 -24.2014 -24.2014 -6.5908 -6.5908 -6.3764 -6.3764 -6.3439 -6.3439 -6.2180 -6.2180 1.1354 1.1354 1.2675 1.2675 1.2824 1.2824 2.2068 2.2068 2.3125 2.3125 2.4090 2.4090 2.4098 2.4098 2.4164 2.4164 2.6348 2.6348 2.7376 2.7376 3.0162 3.0162 3.0486 3.0486 3.8086 3.8086 4.0818 4.0818 4.1257 4.1257 4.1731 4.1731 4.2913 4.2913 4.3236 4.3236 4.3382 4.3382 4.6982 4.6982 4.7268 4.7268 4.7773 4.7773 4.8717 4.8717 4.8907 4.8907 5.4862 5.4862 5.4969 5.4969 6.1081 6.1081 8.4992 8.4992 8.5092 8.5092 8.5778 8.5778 9.2368 9.2368 9.2381 9.2381 11.2123 11.2123 11.2168 11.2168 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -48.5912 -48.5912 -26.2696 -26.2696 -24.2040 -24.2040 -24.2014 -24.2014 -6.5908 -6.5908 -6.3764 -6.3764 -6.3439 -6.3439 -6.2180 -6.2180 1.1354 1.1354 1.2675 1.2675 1.2824 1.2824 2.2068 2.2068 2.3125 2.3125 2.4090 2.4090 2.4098 2.4098 2.4164 2.4164 2.6348 2.6348 2.7376 2.7376 3.0162 3.0162 3.0486 3.0486 3.8086 3.8086 4.0818 4.0818 4.1257 4.1257 4.1731 4.1731 4.2913 4.2913 4.3236 4.3236 4.3382 4.3382 4.6982 4.6982 4.7268 4.7268 4.7773 4.7773 4.8717 4.8717 4.8907 4.8907 5.4862 5.4862 5.4969 5.4969 6.1081 6.1081 8.4992 8.4992 8.5092 8.5092 8.5778 8.5778 9.2368 9.2368 9.2381 9.2381 11.2123 11.2123 11.2168 11.2168 k = 0.4878 0.4878-0.0000 ( 6272 PWs) bands (ev): -48.5913 -48.5913 -26.2696 -26.2696 -24.2040 -24.2040 -24.2014 -24.2014 -6.5925 -6.5923 -6.3767 -6.3750 -6.3436 -6.3433 -6.2183 -6.2166 1.1317 1.1338 1.2679 1.2685 1.2831 1.2842 2.2060 2.2074 2.3119 2.3130 2.3885 2.3922 2.4102 2.4107 2.4320 2.4350 2.6335 2.6360 2.7369 2.7383 3.0177 3.0182 3.0503 3.0503 3.8083 3.8086 4.0760 4.0866 4.1223 4.1295 4.1721 4.1740 4.2904 4.2918 4.3138 4.3300 4.3365 4.3440 4.6946 4.6947 4.7236 4.7358 4.7686 4.7837 4.8709 4.8740 4.8855 4.8996 5.4833 5.4896 5.4971 5.4980 6.1056 6.1068 8.4978 8.4995 8.5059 8.5110 8.5770 8.5778 9.2322 9.2359 9.2371 9.2404 11.2052 11.2065 11.2201 11.2201 k = 0.4756 0.4756-0.0000 ( 6276 PWs) bands (ev): -48.5913 -48.5913 -26.2696 -26.2696 -24.2040 -24.2040 -24.2014 -24.2014 -6.5973 -6.5970 -6.3759 -6.3725 -6.3424 -6.3418 -6.2175 -6.2141 1.1233 1.1272 1.2668 1.2682 1.2889 1.2909 2.2047 2.2076 2.3111 2.3133 2.3652 2.3696 2.4115 2.4130 2.4501 2.4530 2.6325 2.6375 2.7364 2.7391 3.0226 3.0229 3.0551 3.0559 3.8078 3.8084 4.0697 4.0901 4.1192 4.1338 4.1711 4.1748 4.2890 4.2920 4.3050 4.3301 4.3351 4.3564 4.6842 4.6882 4.7263 4.7458 4.7596 4.7867 4.8715 4.8777 4.8850 4.9111 5.4810 5.4929 5.4991 5.5000 6.0993 6.1018 8.4951 8.4986 8.5012 8.5115 8.5757 8.5773 9.2240 9.2332 9.2356 9.2401 11.1815 11.1840 11.2350 11.2353 k = 0.4634 0.4634-0.0000 ( 6276 PWs) bands (ev): -48.5913 -48.5913 -26.2696 -26.2696 -24.2040 -24.2040 -24.2014 -24.2014 -6.6050 -6.6047 -6.3740 -6.3693 -6.3403 -6.3393 -6.2156 -6.2107 1.1117 1.1170 1.2620 1.2636 1.3012 1.3033 2.2032 2.2075 2.3102 2.3135 2.3414 2.3464 2.4141 2.4165 2.4645 2.4675 2.6333 2.6411 2.7361 2.7401 3.0289 3.0303 3.0632 3.0661 3.8071 3.8080 4.0631 4.0923 4.1163 4.1384 4.1700 4.1756 4.2867 4.2919 4.2982 4.3274 4.3338 4.3719 4.6711 4.6802 4.7309 4.7460 4.7599 4.7859 4.8735 4.8830 4.8892 4.9246 5.4794 5.4958 5.5030 5.5030 6.0894 6.0931 8.4910 8.4947 8.4968 8.5106 8.5742 8.5764 9.2130 9.2289 9.2328 9.2372 11.1459 11.1492 11.2599 11.2605 k = 0.4512 0.4512-0.0000 ( 6286 PWs) bands (ev): -48.5913 -48.5913 -26.2696 -26.2696 -24.2039 -24.2039 -24.2014 -24.2014 -6.6152 -6.6149 -6.3712 -6.3654 -6.3375 -6.3360 -6.2128 -6.2064 1.0979 1.1042 1.2540 1.2559 1.3178 1.3197 2.2014 2.2070 2.3090 2.3136 2.3176 2.3227 2.4178 2.4212 2.4737 2.4771 2.6378 2.6485 2.7359 2.7413 3.0355 3.0394 3.0751 3.0809 3.8062 3.8073 4.0566 4.0933 4.1133 4.1426 4.1687 4.1762 4.2828 4.2914 4.2938 4.3233 4.3332 4.3890 4.6572 4.6714 4.7356 4.7369 4.7690 4.7820 4.8768 4.8896 4.8975 4.9396 5.4785 5.4987 5.5069 5.5083 6.0762 6.0810 8.4853 8.4872 8.4930 8.5084 8.5728 8.5756 9.1993 9.2228 9.2286 9.2319 11.1017 11.1055 11.2938 11.2949 k = 0.4390 0.4390-0.0000 ( 6288 PWs) bands (ev): -48.5913 -48.5913 -26.2696 -26.2696 -24.2039 -24.2039 -24.2014 -24.2014 -6.6278 -6.6275 -6.3676 -6.3610 -6.3339 -6.3318 -6.2090 -6.2013 1.0826 1.0898 1.2434 1.2455 1.3373 1.3388 2.1994 2.2062 2.2921 2.2984 2.3091 2.3136 2.4227 2.4271 2.4773 2.4810 2.6474 2.6610 2.7358 2.7427 3.0426 3.0491 3.0906 3.0994 3.8052 3.8063 4.0503 4.0936 4.1102 4.1462 4.1674 4.1763 4.2783 4.2904 4.2906 4.3184 4.3344 4.4073 4.6429 4.6617 4.7277 4.7401 4.7760 4.7776 4.8813 4.8973 4.9089 4.9558 5.4782 5.5023 5.5116 5.5143 6.0602 6.0660 8.4781 8.4783 8.4877 8.5049 8.5719 8.5752 9.1832 9.2143 9.2230 9.2249 11.0512 11.0553 11.3360 11.3377 k = 0.4268 0.4268-0.0000 ( 6290 PWs) bands (ev): -48.5914 -48.5914 -26.2695 -26.2695 -24.2038 -24.2038 -24.2014 -24.2014 -6.6422 -6.6421 -6.3633 -6.3561 -6.3296 -6.3270 -6.2045 -6.1957 1.0663 1.0741 1.2305 1.2328 1.3590 1.3599 2.1972 2.2051 2.2674 2.2738 2.3083 2.3136 2.4286 2.4341 2.4760 2.4798 2.6623 2.6786 2.7360 2.7443 3.0503 3.0592 3.1092 3.1208 3.8040 3.8050 4.0443 4.0933 4.1069 4.1487 4.1659 4.1759 4.2740 4.2871 4.2886 4.3133 4.3383 4.4268 4.6287 4.6513 4.7194 4.7439 4.7689 4.7849 4.8870 4.9059 4.9224 4.9729 5.4784 5.5069 5.5170 5.5205 6.0418 6.0484 8.4681 8.4695 8.4807 8.4999 8.5718 8.5755 9.1649 9.2033 9.2159 9.2164 10.9958 11.0002 11.3851 11.3877 k = 0.4146 0.4146-0.0000 ( 6300 PWs) bands (ev): -48.5914 -48.5914 -26.2695 -26.2695 -24.2038 -24.2038 -24.2013 -24.2013 -6.6583 -6.6582 -6.3585 -6.3508 -6.3248 -6.3215 -6.1994 -6.1897 1.0492 1.0575 1.2154 1.2179 1.3822 1.3826 2.1948 2.2038 2.2422 2.2488 2.3078 2.3135 2.4357 2.4423 2.4715 2.4750 2.6817 2.7004 2.7365 2.7463 3.0587 3.0696 3.1300 3.1439 3.8026 3.8035 4.0386 4.0927 4.1036 4.1501 4.1641 4.1743 4.2704 4.2828 4.2851 4.3089 4.3454 4.4470 4.6146 4.6402 4.7121 4.7469 4.7615 4.7908 4.8936 4.9151 4.9376 4.9908 5.4789 5.5125 5.5230 5.5264 6.0217 6.0289 8.4568 8.4596 8.4721 8.4934 8.5727 8.5766 9.1445 9.1895 9.2066 9.2071 10.9366 10.9410 11.4399 11.4436 k = 0.4024 0.4024-0.0000 ( 6304 PWs) bands (ev): -48.5914 -48.5914 -26.2695 -26.2695 -24.2037 -24.2037 -24.2013 -24.2013 -6.6758 -6.6757 -6.3530 -6.3451 -6.3194 -6.3155 -6.1939 -6.1834 1.0315 1.0400 1.1982 1.2010 1.4067 1.4069 2.1923 2.2022 2.2168 2.2233 2.3075 2.3133 2.4437 2.4513 2.4654 2.4685 2.7042 2.7254 2.7374 2.7485 3.0679 3.0805 3.1522 3.1683 3.8012 3.8016 4.0332 4.0921 4.1003 4.1505 4.1618 4.1711 4.2676 4.2780 4.2796 4.3063 4.3556 4.4679 4.6007 4.6286 4.7058 4.7474 4.7557 4.7950 4.9013 4.9246 4.9540 5.0092 5.4794 5.5192 5.5296 5.5316 6.0005 6.0083 8.4444 8.4487 8.4623 8.4856 8.5745 8.5785 9.1224 9.1733 9.1954 9.1967 10.8741 10.8785 11.4988 11.5038 k = 0.3902 0.3902-0.0000 ( 6304 PWs) bands (ev): -48.5914 -48.5914 -26.2694 -26.2694 -24.2036 -24.2036 -24.2013 -24.2013 -6.6944 -6.6942 -6.3471 -6.3390 -6.3135 -6.3091 -6.1881 -6.1770 1.0130 1.0218 1.1792 1.1821 1.4319 1.4327 2.1893 2.1907 2.1977 2.2008 2.3074 2.3129 2.4527 2.4583 2.4592 2.4648 2.7276 2.7400 2.7509 2.7527 3.0778 3.0918 3.1753 3.1933 3.7994 3.7995 4.0281 4.0917 4.0972 4.1500 4.1589 4.1661 4.2659 4.2725 4.2731 4.3054 4.3685 4.4893 4.5871 4.6167 4.7004 4.7421 4.7551 4.7977 4.9097 4.9343 4.9715 5.0281 5.4795 5.5271 5.5355 5.5368 5.9791 5.9872 8.4312 8.4371 8.4515 8.4766 8.5771 8.5811 9.0988 9.1550 9.1827 9.1846 10.8088 10.8131 11.5601 11.5665 k = 0.3780 0.3780-0.0000 ( 6304 PWs) bands (ev): -48.5914 -48.5914 -26.2694 -26.2694 -24.2035 -24.2035 -24.2013 -24.2012 -6.7139 -6.7137 -6.3408 -6.3326 -6.3071 -6.3023 -6.1822 -6.1706 0.9940 1.0029 1.1583 1.1614 1.4581 1.4594 2.1647 2.1707 2.1874 2.1988 2.3074 2.3123 2.4536 2.4538 2.4630 2.4743 2.7375 2.7540 2.7581 2.7814 3.0883 3.1035 3.1988 3.2185 3.7968 3.7977 4.0231 4.0917 4.0945 4.1487 4.1550 4.1593 4.2647 4.2651 4.2687 4.3058 4.3835 4.5110 4.5738 4.6045 4.6958 4.7342 4.7565 4.7990 4.9186 4.9437 4.9900 5.0472 5.4785 5.5358 5.5380 5.5446 5.9583 5.9666 8.4174 8.4252 8.4402 8.4664 8.5802 8.5844 9.0738 9.1346 9.1684 9.1706 10.7410 10.7453 11.6220 11.6300 k = 0.3659 0.3659-0.0000 ( 6302 PWs) bands (ev): -48.5914 -48.5914 -26.2693 -26.2693 -24.2034 -24.2034 -24.2012 -24.2012 -6.7341 -6.7338 -6.3340 -6.3257 -6.3003 -6.2952 -6.1763 -6.1643 0.9743 0.9833 1.1358 1.1391 1.4852 1.4870 2.1385 2.1442 2.1845 2.1968 2.3072 2.3112 2.4491 2.4501 2.4739 2.4864 2.7398 2.7573 2.7854 2.8114 3.0994 3.1155 3.2223 3.2436 3.7939 3.7957 4.0183 4.0921 4.0921 4.1449 4.1499 4.1525 4.2572 4.2634 4.2668 4.3070 4.4001 4.5326 4.5613 4.5924 4.6917 4.7257 4.7581 4.7990 4.9279 4.9526 5.0097 5.0667 5.4758 5.5368 5.5470 5.5532 5.9390 5.9473 8.4030 8.4131 8.4286 8.4554 8.5838 8.5880 9.0476 9.1125 9.1523 9.1548 10.6711 10.6752 11.6826 11.6921 k = 0.3537 0.3537-0.0000 ( 6294 PWs) bands (ev): -48.5914 -48.5914 -26.2693 -26.2693 -24.2033 -24.2033 -24.2012 -24.2012 -6.7548 -6.7545 -6.3268 -6.3185 -6.2931 -6.2877 -6.1704 -6.1582 0.9541 0.9630 1.1119 1.1153 1.5129 1.5151 2.1122 2.1175 2.1818 2.1948 2.3066 2.3093 2.4465 2.4488 2.4858 2.4997 2.7419 2.7609 2.8141 2.8421 3.1108 3.1278 3.2455 3.2683 3.7907 3.7934 4.0138 4.0902 4.0931 4.1354 4.1431 4.1491 4.2509 4.2603 4.2683 4.3091 4.4179 4.5450 4.5582 4.5804 4.6880 4.7168 4.7598 4.7979 4.9373 4.9609 5.0305 5.0864 5.4705 5.5329 5.5587 5.5629 5.9221 5.9305 8.3883 8.4011 8.4170 8.4438 8.5875 8.5919 9.0205 9.0887 9.1346 9.1371 10.5992 10.6032 11.7399 11.7509 k = 0.3415 0.3415-0.0000 ( 6302 PWs) bands (ev): -48.5914 -48.5914 -26.2692 -26.2692 -24.2031 -24.2031 -24.2011 -24.2011 -6.7760 -6.7756 -6.3193 -6.3109 -6.2856 -6.2800 -6.1646 -6.1524 0.9333 0.9421 1.0866 1.0901 1.5411 1.5438 2.0859 2.0907 2.1790 2.1926 2.3052 2.3066 2.4466 2.4502 2.4984 2.5138 2.7443 2.7648 2.8436 2.8734 3.1226 3.1403 3.2682 3.2923 3.7871 3.7909 4.0095 4.0885 4.0947 4.1225 4.1346 4.1473 4.2462 4.2575 4.2712 4.3116 4.4365 4.5343 4.5686 4.5784 4.6844 4.7075 4.7614 4.7958 4.9466 4.9683 5.0524 5.1065 5.4618 5.5251 5.5719 5.5739 5.9081 5.9166 8.3735 8.3894 8.4057 8.4317 8.5914 8.5958 8.9926 9.0636 9.1150 9.1175 10.5256 10.5295 11.7922 11.8045 k = 0.3293 0.3293-0.0000 ( 6316 PWs) bands (ev): -48.5915 -48.5915 -26.2691 -26.2691 -24.2030 -24.2030 -24.2011 -24.2011 -6.7974 -6.7969 -6.3114 -6.3030 -6.2777 -6.2720 -6.1591 -6.1468 0.9120 0.9207 1.0601 1.0638 1.5696 1.5726 2.0599 2.0642 2.1763 2.1904 2.3026 2.3028 2.4497 2.4545 2.5119 2.5287 2.7471 2.7690 2.8737 2.9052 3.1346 3.1528 3.2902 3.3154 3.7832 3.7880 4.0055 4.0865 4.0970 4.1077 4.1251 4.1461 4.2434 4.2554 4.2751 4.3147 4.4553 4.5224 4.5573 4.5999 4.6808 4.6978 4.7632 4.7933 4.9556 4.9749 5.0756 5.1270 5.4494 5.5132 5.5862 5.5863 5.8976 5.9063 8.3586 8.3780 8.3948 8.4193 8.5950 8.5996 8.9639 9.0371 9.0937 9.0960 10.4505 10.4542 11.8383 11.8513 k = 0.3171 0.3171-0.0000 ( 6304 PWs) bands (ev): -48.5915 -48.5915 -26.2691 -26.2691 -24.2029 -24.2029 -24.2010 -24.2010 -6.8189 -6.8184 -6.3032 -6.2947 -6.2696 -6.2638 -6.1539 -6.1416 0.8903 0.8987 1.0327 1.0364 1.5983 1.6015 2.0344 2.0381 2.1736 2.1882 2.2981 2.2990 2.4561 2.4616 2.5262 2.5444 2.7502 2.7735 2.9042 2.9371 3.1467 3.1654 3.3113 3.3375 3.7790 3.7846 4.0022 4.0829 4.0913 4.1002 4.1160 4.1454 4.2427 4.2541 4.2800 4.3183 4.4740 4.5107 4.5467 4.6211 4.6768 4.6878 4.7654 4.7907 4.9642 4.9805 5.1000 5.1483 5.4333 5.4971 5.6001 5.6018 5.8907 5.8997 8.3440 8.3671 8.3845 8.4070 8.5984 8.6031 8.9347 9.0095 9.0707 9.0728 10.3740 10.3776 11.8772 11.8904 k = 0.3049 0.3049-0.0000 ( 6308 PWs) bands (ev): -48.5915 -48.5915 -26.2690 -26.2690 -24.2027 -24.2027 -24.2010 -24.2010 -6.8404 -6.8400 -6.2947 -6.2862 -6.2612 -6.2554 -6.1489 -6.1368 0.8682 0.8763 1.0045 1.0082 1.6268 1.6302 2.0096 2.0126 2.1710 2.1859 2.2925 2.2942 2.4655 2.4714 2.5411 2.5606 2.7537 2.7782 2.9349 2.9691 3.1589 3.1780 3.3314 3.3583 3.7744 3.7807 3.9995 4.0739 4.0755 4.1039 4.1098 4.1453 4.2438 4.2534 4.2856 4.3222 4.4913 4.4993 4.5378 4.6418 4.6723 4.6773 4.7679 4.7882 4.9720 4.9852 5.1258 5.1704 5.4137 5.4772 5.6152 5.6185 5.8870 5.8965 8.3297 8.3568 8.3749 8.3949 8.6014 8.6061 8.9051 8.9809 9.0462 9.0478 10.2964 10.2998 11.9087 11.9215 k = 0.2927 0.2927-0.0000 ( 6310 PWs) bands (ev): -48.5915 -48.5915 -26.2689 -26.2689 -24.2026 -24.2026 -24.2009 -24.2009 -6.8619 -6.8614 -6.2860 -6.2775 -6.2526 -6.2469 -6.1443 -6.1324 0.8458 0.8536 0.9756 0.9793 1.6548 1.6582 1.9859 1.9882 2.1684 2.1836 2.2862 2.2883 2.4777 2.4837 2.5566 2.5775 2.7575 2.7831 2.9659 3.0010 3.1711 3.1905 3.3504 3.3778 3.7695 3.7761 3.9975 4.0555 4.0638 4.1078 4.1084 4.1460 4.2466 4.2534 4.2920 4.3265 4.4884 4.5034 4.5342 4.6610 4.6670 4.6674 4.7709 4.7862 4.9791 4.9890 5.1528 5.1934 5.3912 5.4541 5.6315 5.6360 5.8862 5.8962 8.3158 8.3468 8.3661 8.3834 8.6037 8.6085 8.8752 8.9515 9.0201 9.0213 10.2177 10.2210 11.9334 11.9441 k = 0.2805 0.2805-0.0000 ( 6312 PWs) bands (ev): -48.5915 -48.5915 -26.2689 -26.2689 -24.2024 -24.2024 -24.2009 -24.2009 -6.8831 -6.8827 -6.2771 -6.2686 -6.2438 -6.2382 -6.1400 -6.1283 0.8232 0.8306 0.9461 0.9499 1.6819 1.6851 1.9637 1.9651 2.1659 2.1813 2.2793 2.2817 2.4924 2.4980 2.5726 2.5947 2.7616 2.7881 2.9969 3.0327 3.1833 3.2029 3.3682 3.3957 3.7642 3.7706 3.9954 4.0364 4.0501 4.1086 4.1134 4.1478 4.2508 4.2540 4.2991 4.3310 4.4779 4.5035 4.5428 4.6548 4.6610 4.6816 4.7745 4.7851 4.9854 4.9920 5.1812 5.2175 5.3665 5.4286 5.6488 5.6543 5.8877 5.8981 8.3025 8.3373 8.3582 8.3726 8.6052 8.6101 8.8450 8.9213 8.9928 8.9933 10.1380 10.1412 11.9518 11.9561 k = 0.2683 0.2683-0.0000 ( 6310 PWs) bands (ev): -48.5915 -48.5915 -26.2688 -26.2688 -24.2023 -24.2023 -24.2008 -24.2008 -6.9041 -6.9037 -6.2680 -6.2596 -6.2348 -6.2295 -6.1361 -6.1247 0.8005 0.8076 0.9164 0.9202 1.7074 1.7102 1.9438 1.9440 2.1635 2.1791 2.2719 2.2744 2.5091 2.5142 2.5891 2.6124 2.7660 2.7933 3.0279 3.0640 3.1955 3.2151 3.3846 3.4121 3.7585 3.7644 3.9914 4.0165 4.0380 4.1110 4.1189 4.1509 4.2552 4.2564 4.3067 4.3356 4.4680 4.4965 4.5581 4.6434 4.6543 4.6996 4.7789 4.7849 4.9908 4.9943 5.2110 5.2428 5.3405 5.4013 5.6668 5.6732 5.8909 5.9016 8.2900 8.3280 8.3512 8.3630 8.6058 8.6107 8.8148 8.8905 8.9641 8.9642 10.0575 10.0607 11.9628 11.9641 k = 0.2561 0.2561-0.0000 ( 6298 PWs) bands (ev): -48.5915 -48.5915 -26.2687 -26.2687 -24.2021 -24.2021 -24.2008 -24.2008 -6.9248 -6.9244 -6.2589 -6.2505 -6.2258 -6.2206 -6.1325 -6.1214 0.7779 0.7846 0.8866 0.8903 1.7302 1.7323 1.9261 1.9272 2.1611 2.1768 2.2643 2.2666 2.5275 2.5319 2.6060 2.6303 2.7708 2.7986 3.0586 3.0949 3.2075 3.2272 3.3996 3.4269 3.7524 3.7573 3.9822 3.9959 4.0315 4.1145 4.1245 4.1557 4.2571 4.2632 4.3147 4.3401 4.4588 4.4881 4.5739 4.6318 4.6475 4.7164 4.7842 4.7859 4.9954 4.9961 5.2420 5.2682 5.3147 5.3730 5.6853 5.6923 5.8954 5.9062 8.2782 8.3190 8.3450 8.3546 8.6053 8.6102 8.7847 8.8593 8.9338 8.9348 9.9763 9.9794 11.9692 11.9720 k = 0.2439 0.2439-0.0000 ( 6298 PWs) bands (ev): -48.5915 -48.5915 -26.2686 -26.2686 -24.2020 -24.2020 -24.2007 -24.2007 -6.9450 -6.9446 -6.2497 -6.2415 -6.2167 -6.2118 -6.1292 -6.1186 0.7555 0.7618 0.8568 0.8604 1.7485 1.7495 1.9129 1.9159 2.1589 2.1746 2.2564 2.2586 2.5473 2.5508 2.6231 2.6484 2.7757 2.8040 3.0891 3.1251 3.2196 3.2392 3.4132 3.4401 3.7459 3.7493 3.9668 3.9749 4.0322 4.1186 4.1301 4.1623 4.2594 4.2711 4.3232 4.3446 4.4505 4.4796 4.5877 4.6199 4.6420 4.7316 4.7879 4.7906 4.9974 4.9992 5.2737 5.2768 5.3067 5.3448 5.7040 5.7116 5.9005 5.9114 8.2674 8.3101 8.3399 8.3477 8.6036 8.6084 8.7547 8.8279 8.9028 8.9046 9.8945 9.8976 11.9766 11.9801 k = 0.2317 0.2317-0.0000 ( 6304 PWs) bands (ev): -48.5915 -48.5915 -26.2686 -26.2686 -24.2018 -24.2018 -24.2007 -24.2007 -6.9646 -6.9643 -6.2405 -6.2324 -6.2077 -6.2030 -6.1261 -6.1160 0.7333 0.7392 0.8271 0.8307 1.7595 1.7600 1.9069 1.9118 2.1567 2.1724 2.2484 2.2503 2.5681 2.5706 2.6404 2.6664 2.7809 2.8093 3.1191 3.1546 3.2316 3.2510 3.4254 3.4515 3.7388 3.7405 3.9475 3.9533 4.0378 4.1233 4.1354 4.1709 4.2623 4.2799 4.3319 4.3485 4.4432 4.4712 4.5956 4.6081 4.6414 4.7450 4.7910 4.7984 4.9983 5.0022 5.2529 5.2984 5.3247 5.3328 5.7227 5.7308 5.9061 5.9167 8.2576 8.3015 8.3356 8.3423 8.6006 8.6052 8.7252 8.7965 8.8711 8.8739 9.8121 9.8153 11.9852 11.9874 k = 0.2195 0.2195-0.0000 ( 6308 PWs) bands (ev): -48.5915 -48.5915 -26.2685 -26.2685 -24.2017 -24.2017 -24.2006 -24.2006 -6.9838 -6.9835 -6.2314 -6.2235 -6.1987 -6.1943 -6.1234 -6.1138 0.7115 0.7170 0.7979 0.8014 1.7611 1.7628 1.9097 1.9163 2.1547 2.1702 2.2403 2.2419 2.5896 2.5912 2.6578 2.6844 2.7862 2.8146 3.1485 3.1832 3.2436 3.2628 3.4361 3.4614 3.7309 3.7312 3.9261 3.9313 4.0466 4.1286 4.1406 4.1813 4.2657 4.2896 4.3408 4.3517 4.4372 4.4631 4.5943 4.5962 4.6491 4.7563 4.7951 4.8076 4.9991 5.0046 5.2257 5.2804 5.3487 5.3640 5.7411 5.7498 5.9117 5.9219 8.2489 8.2933 8.3322 8.3382 8.5961 8.6004 8.6964 8.7653 8.8391 8.8430 9.7294 9.7326 11.9926 11.9947 k = 0.2073 0.2073-0.0000 ( 6322 PWs) bands (ev): -48.5916 -48.5916 -26.2684 -26.2684 -24.2015 -24.2015 -24.2006 -24.2006 -7.0022 -7.0020 -6.2224 -6.2147 -6.1897 -6.1856 -6.1210 -6.1120 0.6902 0.6953 0.7691 0.7725 1.7554 1.7577 1.9207 1.9282 2.1527 2.1681 2.2322 2.2335 2.6115 2.6122 2.6752 2.7022 2.7917 2.8198 3.1773 3.2108 3.2557 3.2745 3.4455 3.4698 3.7206 3.7231 3.9035 3.9089 4.0577 4.1345 4.1457 4.1933 4.2695 4.2999 4.3497 4.3539 4.4329 4.4555 4.5845 4.5868 4.6624 4.7658 4.8001 4.8182 4.9998 5.0064 5.1985 5.2523 5.3844 5.3973 5.7590 5.7682 5.9171 5.9267 8.2414 8.2858 8.3296 8.3353 8.5901 8.5938 8.6685 8.7344 8.8070 8.8120 9.6464 9.6497 11.9972 11.9993 k = 0.1951 0.1951-0.0000 ( 6328 PWs) bands (ev): -48.5917 -48.5917 -26.2684 -26.2684 -24.2014 -24.2014 -24.2005 -24.2005 -7.0199 -7.0197 -6.2136 -6.2062 -6.1809 -6.1772 -6.1187 -6.1103 0.6696 0.6743 0.7410 0.7444 1.7450 1.7473 1.9369 1.9448 2.1509 2.1660 2.2243 2.2252 2.6334 2.6337 2.6924 2.7196 2.7974 2.8249 3.2051 3.2372 3.2679 3.2863 3.4536 3.4767 3.7097 3.7145 3.8802 3.8862 4.0704 4.1408 4.1509 4.2066 4.2738 4.3108 4.3547 4.3586 4.4305 4.4484 4.5729 4.5766 4.6780 4.7739 4.8057 4.8296 5.0005 5.0076 5.1722 5.2240 5.4220 5.4322 5.7762 5.7859 5.9221 5.9309 8.2353 8.2792 8.3280 8.3336 8.5825 8.5851 8.6421 8.7043 8.7751 8.7813 9.5632 9.5667 12.0020 12.0028 k = 0.1829 0.1829-0.0000 ( 6318 PWs) bands (ev): -48.5916 -48.5916 -26.2683 -26.2683 -24.2013 -24.2012 -24.2005 -24.2005 -7.0369 -7.0367 -6.2050 -6.1980 -6.1723 -6.1689 -6.1166 -6.1090 0.6496 0.6540 0.7138 0.7170 1.7321 1.7342 1.9559 1.9638 2.1491 2.1640 2.2166 2.2171 2.6546 2.6558 2.7094 2.7364 2.8031 2.8299 3.2321 3.2623 3.2804 3.2982 3.4605 3.4824 3.6984 3.7054 3.8566 3.8633 4.0843 4.1479 4.1562 4.2210 4.2786 4.3222 4.3540 4.3672 4.4301 4.4417 4.5615 4.5653 4.6945 4.7810 4.8120 4.8416 5.0012 5.0083 5.1469 5.1963 5.4609 5.4684 5.7924 5.8026 5.9267 5.9346 8.2305 8.2737 8.3271 8.3330 8.5732 8.5737 8.6178 8.6751 8.7436 8.7511 9.4801 9.4839 12.0068 12.0073 k = 0.1707 0.1707-0.0000 ( 6316 PWs) bands (ev): -48.5916 -48.5916 -26.2682 -26.2682 -24.2011 -24.2011 -24.2004 -24.2004 -7.0530 -7.0529 -6.1967 -6.1902 -6.1640 -6.1609 -6.1147 -6.1078 0.6305 0.6345 0.6876 0.6906 1.7182 1.7200 1.9759 1.9837 2.1475 2.1621 2.2090 2.2091 2.6755 2.6776 2.7261 2.7526 2.8089 2.8346 3.2579 3.2860 3.2931 3.3105 3.4664 3.4868 3.6868 3.6957 3.8326 3.8403 4.0989 4.1556 4.1615 4.2361 4.2838 4.3336 4.3519 4.3755 4.4316 4.4355 4.5503 4.5535 4.7115 4.7875 4.8188 4.8538 5.0019 5.0084 5.1231 5.1695 5.5007 5.5058 5.8076 5.8184 5.9309 5.9376 8.2274 8.2693 8.3270 8.3332 8.5592 8.5623 8.5965 8.6472 8.7127 8.7215 9.3974 9.4013 12.0118 12.0134 k = 0.1585 0.1585-0.0000 ( 6312 PWs) bands (ev): -48.5916 -48.5916 -26.2682 -26.2682 -24.2010 -24.2010 -24.2004 -24.2004 -7.0683 -7.0681 -6.1888 -6.1828 -6.1560 -6.1532 -6.1130 -6.1068 0.6123 0.6160 0.6625 0.6653 1.7041 1.7056 1.9960 2.0036 2.1460 2.1602 2.2015 2.2019 2.6959 2.6988 2.7424 2.7681 2.8148 2.8391 3.2823 3.3065 3.3077 3.3236 3.4712 3.4903 3.6749 3.6856 3.8086 3.8171 4.1137 4.1641 4.1669 4.2516 4.2892 4.3450 4.3488 4.3831 4.4299 4.4345 4.5394 4.5415 4.7287 4.7934 4.8260 4.8659 5.0025 5.0076 5.1012 5.1439 5.5411 5.5441 5.8215 5.8328 5.9345 5.9400 8.2259 8.2665 8.3276 8.3343 8.5415 8.5497 8.5784 8.6207 8.6826 8.6929 9.3152 9.3192 12.0179 12.0205 k = 0.1463 0.1463-0.0000 ( 6302 PWs) bands (ev): -48.5915 -48.5915 -26.2681 -26.2681 -24.2009 -24.2008 -24.2003 -24.2003 -7.0826 -7.0825 -6.1813 -6.1758 -6.1483 -6.1458 -6.1113 -6.1060 0.5951 0.5984 0.6386 0.6413 1.6903 1.6915 2.0156 2.0229 2.1446 2.1583 2.1943 2.1951 2.7156 2.7193 2.7582 2.7825 2.8208 2.8434 3.3050 3.3208 3.3264 3.3387 3.4752 3.4929 3.6628 3.6751 3.7845 3.7938 4.1282 4.1722 4.1738 4.2672 4.2951 4.3449 4.3562 4.3898 4.4249 4.4386 4.5287 4.5298 4.7458 4.7991 4.8335 4.8777 5.0030 5.0058 5.0817 5.1197 5.5817 5.5829 5.8341 5.8458 5.9377 5.9419 8.2262 8.2652 8.3289 8.3361 8.5221 8.5356 8.5624 8.5959 8.6535 8.6653 9.2338 9.2381 12.0251 12.0287 k = 0.1341 0.1341-0.0000 ( 6306 PWs) bands (ev): -48.5916 -48.5916 -26.2681 -26.2681 -24.2007 -24.2007 -24.2003 -24.2003 -7.0959 -7.0958 -6.1742 -6.1694 -6.1410 -6.1388 -6.1097 -6.1052 0.5790 0.5820 0.6162 0.6187 1.6770 1.6780 2.0343 2.0412 2.1433 2.1565 2.1875 2.1887 2.7344 2.7387 2.7734 2.7960 2.8269 2.8474 3.3248 3.3372 3.3416 3.3561 3.4785 3.4947 3.6507 3.6641 3.7605 3.7705 4.1419 4.1775 4.1847 4.2826 4.3011 4.3408 4.3669 4.3953 4.4207 4.4432 4.5183 4.5185 4.7625 4.8044 4.8414 4.8892 5.0021 5.0031 5.0655 5.0974 5.6218 5.6221 5.8450 5.8572 5.9406 5.9434 8.2285 8.2658 8.3308 8.3386 8.5025 8.5202 8.5474 8.5728 8.6257 8.6390 9.1537 9.1580 12.0335 12.0378 k = 0.1220 0.1220-0.0000 ( 6314 PWs) bands (ev): -48.5916 -48.5916 -26.2680 -26.2680 -24.2006 -24.2006 -24.2003 -24.2003 -7.1082 -7.1081 -6.1677 -6.1636 -6.1341 -6.1322 -6.1082 -6.1045 0.5641 0.5668 0.5953 0.5976 1.6646 1.6653 2.0519 2.0584 2.1420 2.1547 2.1813 2.1829 2.7521 2.7569 2.7880 2.8082 2.8331 2.8512 3.3418 3.3554 3.3557 3.3741 3.4811 3.4958 3.6386 3.6528 3.7367 3.7472 4.1544 4.1827 4.1968 4.2973 4.3072 4.3365 4.3770 4.3990 4.4176 4.4482 4.5079 4.5081 4.7784 4.8094 4.8496 4.9001 4.9962 5.0024 5.0533 5.0776 5.6603 5.6619 5.8544 5.8668 5.9432 5.9448 8.2330 8.2684 8.3334 8.3416 8.4837 8.5039 8.5327 8.5515 8.5991 8.6141 9.0752 9.0796 12.0430 12.0478 k = 0.1098 0.1098-0.0000 ( 6310 PWs) bands (ev): -48.5916 -48.5916 -26.2680 -26.2680 -24.2005 -24.2005 -24.2002 -24.2002 -7.1194 -7.1194 -6.1618 -6.1584 -6.1278 -6.1261 -6.1067 -6.1039 0.5504 0.5528 0.5760 0.5781 1.6531 1.6536 2.0681 2.0741 2.1409 2.1529 2.1758 2.1777 2.7684 2.7735 2.8019 2.8193 2.8395 2.8547 3.3574 3.3689 3.3749 3.3914 3.4833 3.4965 3.6266 3.6413 3.7133 3.7241 4.1657 4.1878 4.2101 4.3110 4.3139 4.3325 4.3863 4.4006 4.4158 4.4533 4.4982 4.4985 4.7929 4.8141 4.8584 4.9104 4.9882 5.0001 5.0453 5.0611 5.6980 5.7004 5.8621 5.8746 5.9458 5.9463 8.2398 8.2732 8.3365 8.3452 8.4661 8.4875 8.5183 8.5316 8.5740 8.5906 8.9987 9.0030 12.0533 12.0585 k = 0.0976 0.0976-0.0000 ( 6303 PWs) bands (ev): -48.5916 -48.5916 -26.2679 -26.2679 -24.2004 -24.2004 -24.2002 -24.2002 -7.1296 -7.1296 -6.1565 -6.1538 -6.1219 -6.1205 -6.1053 -6.1032 0.5380 0.5400 0.5584 0.5604 1.6426 1.6430 2.0828 2.0883 2.1398 2.1509 2.1711 2.1732 2.7831 2.7882 2.8150 2.8293 2.8460 2.8579 3.3729 3.3825 3.3935 3.4077 3.4851 3.4967 3.6148 3.6296 3.6902 3.7012 4.1758 4.1926 4.2240 4.3190 4.3247 4.3289 4.3946 4.4003 4.4148 4.4582 4.4885 4.4906 4.8053 4.8183 4.8681 4.9199 4.9789 4.9954 5.0407 5.0490 5.7341 5.7371 5.8683 5.8804 5.9481 5.9485 8.2492 8.2804 8.3403 8.3493 8.4502 8.4715 8.5042 8.5131 8.5505 8.5688 8.9247 8.9288 12.0643 12.0697 k = 0.0854 0.0854-0.0000 ( 6309 PWs) bands (ev): -48.5916 -48.5916 -26.2679 -26.2679 -24.2003 -24.2003 -24.2002 -24.2002 -7.1386 -7.1386 -6.1518 -6.1499 -6.1167 -6.1155 -6.1039 -6.1025 0.5269 0.5287 0.5427 0.5445 1.6332 1.6335 2.0959 2.1008 2.1387 2.1488 2.1674 2.1695 2.7961 2.8008 2.8272 2.8384 2.8524 2.8608 3.3885 3.3964 3.4112 3.4230 3.4865 3.4967 3.6032 3.6177 3.6675 3.6786 4.1849 4.1972 4.2383 4.3246 4.3258 4.3359 4.3995 4.4019 4.4133 4.4626 4.4792 4.4845 4.8150 4.8219 4.8788 4.9284 4.9697 4.9880 5.0383 5.0418 5.7678 5.7711 5.8731 5.8845 5.9504 5.9513 8.2612 8.2903 8.3446 8.3538 8.4360 8.4564 8.4908 8.4959 8.5287 8.5486 8.8537 8.8574 12.0756 12.0811 k = 0.0732 0.0732-0.0000 ( 6323 PWs) bands (ev): -48.5917 -48.5917 -26.2679 -26.2679 -24.2003 -24.2003 -24.2002 -24.2001 -7.1465 -7.1465 -6.1479 -6.1466 -6.1121 -6.1111 -6.1026 -6.1018 0.5172 0.5187 0.5290 0.5305 1.6250 1.6252 2.1071 2.1113 2.1377 2.1466 2.1646 2.1665 2.8073 2.8112 2.8385 2.8468 2.8582 2.8636 3.4045 3.4106 3.4280 3.4372 3.4878 3.4965 3.5919 3.6058 3.6455 3.6563 4.1929 4.2014 4.2525 4.3234 4.3294 4.3450 4.3990 4.4080 4.4110 4.4654 4.4711 4.4805 4.8217 4.8248 4.8903 4.9357 4.9617 4.9789 5.0373 5.0383 5.7985 5.8017 5.8766 5.8869 5.9534 5.9544 8.2761 8.3031 8.3496 8.3586 8.4237 8.4426 8.4784 8.4801 8.5088 8.5300 8.7861 8.7894 12.0870 12.0923 k = 0.0610 0.0610-0.0000 ( 6321 PWs) bands (ev): -48.5917 -48.5917 -26.2678 -26.2678 -24.2002 -24.2002 -24.2001 -24.2001 -7.1532 -7.1532 -6.1446 -6.1438 -6.1081 -6.1073 -6.1014 -6.1011 0.5090 0.5102 0.5172 0.5185 1.6180 1.6181 2.1165 2.1200 2.1368 2.1442 2.1630 2.1644 2.8165 2.8193 2.8485 2.8546 2.8634 2.8661 3.4206 3.4251 3.4437 3.4504 3.4891 3.4963 3.5810 3.5940 3.6241 3.6344 4.1999 4.2053 4.2665 4.3220 4.3329 4.3513 4.3993 4.4087 4.4128 4.4595 4.4714 4.4783 4.8259 4.8268 4.9021 4.9417 4.9552 4.9698 5.0371 5.0372 5.8252 5.8282 5.8792 5.8880 5.9571 5.9581 8.2938 8.3188 8.3551 8.3637 8.4133 8.4305 8.4661 8.4672 8.4910 8.5131 8.7224 8.7250 12.0979 12.1028 k = 0.0488 0.0488-0.0000 ( 6313 PWs) bands (ev): -48.5916 -48.5916 -26.2678 -26.2678 -24.2002 -24.2002 -24.2001 -24.2001 -7.1587 -7.1587 -6.1421 -6.1416 -6.1048 -6.1041 -6.1004 -6.1004 0.5022 0.5032 0.5075 0.5085 1.6122 1.6122 2.1239 2.1266 2.1361 2.1419 2.1624 2.1633 2.8238 2.8255 2.8571 2.8615 2.8677 2.8685 3.4367 3.4395 3.4585 3.4625 3.4905 3.4962 3.5707 3.5823 3.6035 3.6132 4.2057 4.2088 4.2801 4.3215 4.3348 4.3540 4.4002 4.4079 4.4164 4.4509 4.4740 4.4775 4.8280 4.8281 4.9135 4.9461 4.9505 4.9619 5.0371 5.0373 5.8473 5.8498 5.8810 5.8883 5.9615 5.9622 8.3143 8.3375 8.3611 8.3689 8.4048 8.4201 8.4543 8.4575 8.4760 8.4981 8.6631 8.6649 12.1079 12.1123 k = 0.0366 0.0366-0.0000 ( 6323 PWs) bands (ev): -48.5917 -48.5917 -26.2678 -26.2678 -24.2001 -24.2001 -24.2001 -24.2001 -7.1631 -7.1631 -6.1402 -6.1400 -6.1021 -6.1017 -6.0997 -6.0995 0.4970 0.4977 0.5000 0.5007 1.6076 1.6076 2.1293 2.1312 2.1355 2.1398 2.1624 2.1629 2.8293 2.8301 2.8641 2.8672 2.8706 2.8709 3.4519 3.4534 3.4722 3.4737 3.4923 3.4965 3.5614 3.5711 3.5841 3.5927 4.2103 4.2117 4.2932 4.3221 4.3350 4.3523 4.4020 4.4096 4.4186 4.4422 4.4761 4.4776 4.8287 4.8288 4.9240 4.9473 4.9487 4.9555 5.0376 5.0377 5.8643 5.8661 5.8824 5.8879 5.9661 5.9665 8.3369 8.3587 8.3674 8.3741 8.3981 8.4116 8.4458 8.4492 8.4647 8.4849 8.6086 8.6095 12.1166 12.1201 k = 0.0244 0.0244-0.0000 ( 6323 PWs) bands (ev): -48.5917 -48.5917 -26.2678 -26.2678 -24.2001 -24.2001 -24.2001 -24.2001 -7.1661 -7.1661 -6.1389 -6.1388 -6.1002 -6.0999 -6.0992 -6.0990 0.4932 0.4937 0.4946 0.4951 1.6044 1.6044 2.1329 2.1341 2.1353 2.1381 2.1629 2.1630 2.8329 2.8332 2.8694 2.8714 2.8724 2.8731 3.4646 3.4652 3.4842 3.4849 3.4948 3.4976 3.5535 3.5609 3.5665 3.5737 4.2135 4.2139 4.3057 4.3236 4.3337 4.3468 4.4057 4.4126 4.4197 4.4337 4.4775 4.4780 4.8288 4.8289 4.9329 4.9454 4.9492 4.9510 5.0381 5.0381 5.8760 5.8772 5.8834 5.8871 5.9704 5.9705 8.3598 8.3739 8.3787 8.3809 8.3929 8.4052 8.4426 8.4436 8.4584 8.4739 8.5595 8.5596 12.1235 12.1259 k = 0.0122 0.0122-0.0000 ( 6351 PWs) bands (ev): -48.5918 -48.5918 -26.2678 -26.2678 -24.2001 -24.2001 -24.2001 -24.2001 -7.1680 -7.1680 -6.1381 -6.1381 -6.0991 -6.0989 -6.0988 -6.0987 0.4910 0.4913 0.4914 0.4916 1.6024 1.6024 2.1348 2.1353 2.1354 2.1366 2.1633 2.1633 2.8350 2.8351 2.8728 2.8737 2.8738 2.8742 3.4727 3.4728 3.4940 3.4957 3.4980 3.4994 3.5483 3.5526 3.5529 3.5575 4.2153 4.2154 4.3174 4.3258 4.3313 4.3385 4.4112 4.4156 4.4194 4.4255 4.4784 4.4784 4.8287 4.8287 4.9401 4.9449 4.9471 4.9487 5.0384 5.0384 5.8828 5.8834 5.8843 5.8862 5.9734 5.9734 8.3778 8.3798 8.3830 8.3887 8.3968 8.4010 8.4473 8.4488 8.4569 8.4652 8.5172 8.5173 12.1279 12.1292 k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -48.5919 -48.5919 -26.2678 -26.2678 -24.2001 -24.2001 -24.2001 -24.2001 -7.1686 -7.1686 -6.1379 -6.1379 -6.0986 -6.0986 -6.0986 -6.0986 0.4904 0.4904 0.4904 0.4904 1.6017 1.6017 2.1357 2.1357 2.1357 2.1357 2.1634 2.1634 2.8357 2.8357 2.8743 2.8743 2.8743 2.8743 3.4752 3.4752 3.5000 3.5000 3.5000 3.5000 3.5482 3.5482 3.5482 3.5482 4.2159 4.2159 4.3285 4.3285 4.3285 4.3285 4.4180 4.4180 4.4180 4.4180 4.4786 4.4786 4.8287 4.8287 4.9454 4.9454 4.9454 4.9454 5.0385 5.0385 5.8852 5.8852 5.8852 5.8852 5.9745 5.9745 8.3847 8.3847 8.3847 8.3847 8.4002 8.4002 8.4594 8.4594 8.4594 8.4594 8.4934 8.4934 12.1299 12.1299 k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -48.5919 -48.5919 -26.2678 -26.2678 -24.2001 -24.2001 -24.2001 -24.2001 -7.1686 -7.1686 -6.1379 -6.1379 -6.0986 -6.0986 -6.0986 -6.0986 0.4904 0.4904 0.4904 0.4904 1.6017 1.6017 2.1357 2.1357 2.1357 2.1357 2.1634 2.1634 2.8357 2.8357 2.8743 2.8743 2.8743 2.8743 3.4752 3.4752 3.5000 3.5000 3.5000 3.5000 3.5482 3.5482 3.5482 3.5482 4.2159 4.2159 4.3285 4.3285 4.3285 4.3285 4.4180 4.4180 4.4180 4.4180 4.4786 4.4786 4.8287 4.8287 4.9454 4.9454 4.9454 4.9454 5.0385 5.0385 5.8852 5.8852 5.8852 5.8852 5.9745 5.9745 8.3847 8.3847 8.3847 8.3847 8.4002 8.4002 8.4594 8.4594 8.4594 8.4594 8.4934 8.4934 12.1299 12.1299 k = 0.0100 0.0100 0.0100 ( 6352 PWs) bands (ev): -48.5918 -48.5918 -26.2678 -26.2678 -24.2001 -24.2001 -24.2001 -24.2001 -7.1680 -7.1680 -6.1381 -6.1381 -6.0990 -6.0988 -6.0988 -6.0987 0.4911 0.4913 0.4913 0.4915 1.6024 1.6024 2.1350 2.1352 2.1352 2.1366 2.1633 2.1633 2.8350 2.8350 2.8728 2.8738 2.8738 2.8740 3.4728 3.4728 3.4943 3.4966 3.4978 3.4978 3.5498 3.5525 3.5525 3.5569 4.2153 4.2153 4.3170 4.3286 4.3286 4.3388 4.4110 4.4174 4.4174 4.4259 4.4784 4.4784 4.8287 4.8287 4.9399 4.9461 4.9461 4.9487 5.0384 5.0384 5.8830 5.8830 5.8843 5.8863 5.9734 5.9734 8.3801 8.3803 8.3803 8.3888 8.3987 8.3987 8.4480 8.4480 8.4567 8.4657 8.5174 8.5174 12.1285 12.1296 k = 0.0200 0.0200 0.0200 ( 6322 PWs) bands (ev): -48.5917 -48.5917 -26.2678 -26.2678 -24.2001 -24.2001 -24.2001 -24.2001 -7.1661 -7.1661 -6.1388 -6.1388 -6.0999 -6.0995 -6.0995 -6.0994 0.4938 0.4942 0.4942 0.4946 1.6044 1.6044 2.1337 2.1337 2.1349 2.1380 2.1629 2.1629 2.8331 2.8331 2.8696 2.8720 2.8723 2.8723 3.4660 3.4660 3.4842 3.4861 3.4932 3.4932 3.5598 3.5631 3.5631 3.5712 4.2137 4.2137 4.3048 4.3288 4.3288 4.3472 4.4060 4.4157 4.4157 4.4344 4.4777 4.4777 4.8288 4.8288 4.9321 4.9484 4.9484 4.9499 5.0381 5.0381 5.8761 5.8761 5.8836 5.8876 5.9705 5.9705 8.3675 8.3675 8.3756 8.3918 8.3926 8.3926 8.4441 8.4441 8.4586 8.4752 8.5598 8.5598 12.1266 12.1288 k = 0.0300 0.0300 0.0300 ( 6319 PWs) bands (ev): -48.5917 -48.5917 -26.2678 -26.2678 -24.2001 -24.2001 -24.2001 -24.2001 -7.1630 -7.1630 -6.1400 -6.1400 -6.1013 -6.1007 -6.1007 -6.1006 0.4983 0.4989 0.4989 0.4996 1.6077 1.6077 2.1309 2.1309 2.1349 2.1396 2.1624 2.1624 2.8298 2.8298 2.8647 2.8682 2.8697 2.8697 3.4562 3.4562 3.4729 3.4729 3.4877 3.4877 3.5738 3.5770 3.5770 3.5879 4.2110 4.2110 4.2919 4.3290 4.3290 4.3521 4.4040 4.4130 4.4130 4.4432 4.4767 4.4767 4.8287 4.8287 4.9223 4.9489 4.9522 4.9522 5.0377 5.0377 5.8639 5.8639 5.8829 5.8889 5.9665 5.9665 8.3492 8.3492 8.3717 8.3864 8.3864 8.3931 8.4516 8.4516 8.4652 8.4873 8.6095 8.6095 12.1243 12.1275 k = 0.0400 0.0400 0.0400 ( 6325 PWs) bands (ev): -48.5917 -48.5917 -26.2678 -26.2678 -24.2001 -24.2001 -24.2001 -24.2001 -7.1587 -7.1587 -6.1417 -6.1417 -6.1032 -6.1023 -6.1023 -6.1023 0.5047 0.5054 0.5054 0.5064 1.6123 1.6123 2.1264 2.1264 2.1352 2.1415 2.1621 2.1621 2.8251 2.8251 2.8581 2.8626 2.8663 2.8663 3.4448 3.4448 3.4591 3.4614 3.4815 3.4815 3.5896 3.5926 3.5926 3.6057 4.2073 4.2073 4.2785 4.3289 4.3289 4.3524 4.4064 4.4093 4.4093 4.4521 4.4755 4.4755 4.8279 4.8279 4.9106 4.9459 4.9579 4.9579 5.0374 5.0374 5.8458 5.8458 5.8822 5.8902 5.9624 5.9624 8.3305 8.3305 8.3686 8.3818 8.3818 8.3932 8.4643 8.4643 8.4760 8.5016 8.6647 8.6647 12.1213 12.1258 k = 0.0500 0.0500 0.0500 ( 6319 PWs) bands (ev): -48.5917 -48.5917 -26.2678 -26.2678 -24.2002 -24.2002 -24.2002 -24.2002 -7.1531 -7.1531 -6.1439 -6.1439 -6.1056 -6.1045 -6.1044 -6.1044 0.5130 0.5138 0.5138 0.5151 1.6181 1.6181 2.1201 2.1201 2.1359 2.1437 2.1623 2.1623 2.8190 2.8190 2.8500 2.8552 2.8620 2.8620 3.4329 3.4329 3.4454 3.4502 3.4741 3.4741 3.6067 3.6093 3.6093 3.6242 4.2028 4.2028 4.2646 4.3285 4.3285 4.3489 4.4047 4.4047 4.4125 4.4611 4.4740 4.4740 4.8262 4.8262 4.8973 4.9413 4.9654 4.9654 5.0378 5.0378 5.8218 5.8218 5.8815 5.8915 5.9587 5.9587 8.3142 8.3142 8.3662 8.3786 8.3786 8.3927 8.4803 8.4803 8.4904 8.5182 8.7246 8.7246 12.1179 12.1235 k = 0.0600 0.0600 0.0600 ( 6313 PWs) bands (ev): -48.5916 -48.5916 -26.2678 -26.2678 -24.2002 -24.2002 -24.2002 -24.2002 -7.1463 -7.1463 -6.1465 -6.1465 -6.1086 -6.1072 -6.1068 -6.1068 0.5230 0.5240 0.5240 0.5255 1.6252 1.6252 2.1120 2.1120 2.1369 2.1463 2.1631 2.1631 2.8116 2.8116 2.8403 2.8462 2.8570 2.8570 3.4207 3.4207 3.4321 3.4393 3.4654 3.4654 3.6247 3.6266 3.6266 3.6432 4.1975 4.1975 4.2504 4.3276 4.3276 4.3429 4.3995 4.3995 4.4208 4.4700 4.4725 4.4725 4.8234 4.8234 4.8827 4.9353 4.9743 4.9743 5.0393 5.0393 5.7923 5.7923 5.8806 5.8926 5.9555 5.9555 8.3010 8.3010 8.3645 8.3765 8.3765 8.3920 8.4986 8.4986 8.5077 8.5367 8.7885 8.7885 12.1140 12.1210 k = 0.0700 0.0700 0.0700 ( 6301 PWs) bands (ev): -48.5916 -48.5916 -26.2679 -26.2679 -24.2003 -24.2003 -24.2003 -24.2003 -7.1383 -7.1383 -6.1495 -6.1495 -6.1119 -6.1104 -6.1097 -6.1097 0.5348 0.5358 0.5358 0.5377 1.6334 1.6334 2.1021 2.1021 2.1383 2.1491 2.1643 2.1643 2.8027 2.8027 2.8293 2.8357 2.8514 2.8514 3.4087 3.4087 3.4192 3.4288 3.4552 3.4552 3.6433 3.6443 3.6443 3.6624 4.1916 4.1916 4.2358 4.3259 4.3259 4.3356 4.3938 4.3938 4.4301 4.4711 4.4711 4.4789 4.8195 4.8195 4.8673 4.9283 4.9836 4.9836 5.0433 5.0433 5.7579 5.7579 5.8795 5.8934 5.9527 5.9527 8.2912 8.2912 8.3636 8.3752 8.3752 8.3915 8.5190 8.5190 8.5273 8.5570 8.8559 8.8559 12.1099 12.1183 k = 0.0800 0.0800 0.0800 ( 6313 PWs) bands (ev): -48.5916 -48.5916 -26.2679 -26.2679 -24.2003 -24.2003 -24.2003 -24.2003 -7.1292 -7.1292 -6.1530 -6.1530 -6.1158 -6.1140 -6.1130 -6.1130 0.5483 0.5494 0.5494 0.5516 1.6428 1.6428 2.0904 2.0904 2.1399 2.1521 2.1660 2.1660 2.7924 2.7924 2.8169 2.8236 2.8452 2.8452 3.3968 3.3968 3.4067 3.4187 3.4435 3.4435 3.6622 3.6622 3.6626 3.6817 4.1851 4.1851 4.2209 4.3232 4.3232 4.3276 4.3879 4.3879 4.4398 4.4697 4.4697 4.4875 4.8147 4.8147 4.8512 4.9204 4.9915 4.9915 5.0512 5.0512 5.7194 5.7194 5.8779 5.8937 5.9500 5.9500 8.2847 8.2847 8.3632 8.3747 8.3747 8.3913 8.5412 8.5412 8.5489 8.5791 8.9260 8.9260 12.1054 12.1148 k = 0.0900 0.0900 0.0900 ( 6307 PWs) bands (ev): -48.5916 -48.5916 -26.2680 -26.2680 -24.2004 -24.2004 -24.2004 -24.2004 -7.1189 -7.1189 -6.1569 -6.1569 -6.1201 -6.1181 -6.1167 -6.1167 0.5633 0.5645 0.5645 0.5671 1.6532 1.6532 2.0771 2.0771 2.1419 2.1555 2.1681 2.1681 2.7808 2.7808 2.8033 2.8101 2.8386 2.8386 3.3852 3.3852 3.3947 3.4089 3.4303 3.4303 3.6802 3.6802 3.6823 3.7011 4.1782 4.1782 4.2058 4.3193 4.3194 4.3194 4.3820 4.3820 4.4495 4.4686 4.4686 4.4959 4.8091 4.8091 4.8351 4.9122 4.9968 4.9968 5.0643 5.0643 5.6776 5.6776 5.8759 5.8936 5.9473 5.9473 8.2814 8.2814 8.3633 8.3748 8.3748 8.3913 8.5651 8.5651 8.5723 8.6027 8.9983 8.9983 12.1004 12.1110 k = 0.1000 0.1000 0.1000 ( 6313 PWs) bands (ev): -48.5916 -48.5916 -26.2680 -26.2680 -24.2005 -24.2005 -24.2005 -24.2005 -7.1075 -7.1075 -6.1612 -6.1612 -6.1248 -6.1226 -6.1208 -6.1208 0.5799 0.5811 0.5811 0.5841 1.6646 1.6646 2.0622 2.0622 2.1442 2.1591 2.1705 2.1705 2.7680 2.7680 2.7886 2.7953 2.8315 2.8315 3.3736 3.3736 3.3832 3.3993 3.4156 3.4156 3.6982 3.6982 3.7025 3.7204 4.1709 4.1709 4.1905 4.3109 4.3144 4.3144 4.3764 4.3764 4.4589 4.4677 4.4677 4.5039 4.8032 4.8032 4.8193 4.9039 4.9994 4.9994 5.0824 5.0824 5.6332 5.6332 5.8734 5.8929 5.9443 5.9443 8.2812 8.2812 8.3638 8.3755 8.3755 8.3917 8.5905 8.5905 8.5972 8.6278 9.0721 9.0721 12.0946 12.1056 k = 0.1100 0.1100 0.1100 ( 6298 PWs) bands (ev): -48.5915 -48.5915 -26.2681 -26.2681 -24.2005 -24.2005 -24.2005 -24.2005 -7.0950 -7.0950 -6.1659 -6.1659 -6.1298 -6.1275 -6.1251 -6.1251 0.5979 0.5991 0.5991 0.6026 1.6769 1.6769 2.0459 2.0459 2.1468 2.1630 2.1733 2.1733 2.7541 2.7541 2.7730 2.7794 2.8240 2.8240 3.3621 3.3621 3.3721 3.3900 3.3996 3.3996 3.7161 3.7161 3.7230 3.7395 4.1636 4.1636 4.1752 4.3026 4.3081 4.3081 4.3712 4.3712 4.4670 4.4670 4.4679 4.5115 4.7972 4.7972 4.8041 4.8959 5.0000 5.0000 5.1046 5.1046 5.5868 5.5868 5.8703 5.8916 5.9409 5.9409 8.2838 8.2838 8.3646 8.3768 8.3768 8.3924 8.6172 8.6172 8.6233 8.6542 9.1466 9.1466 12.0879 12.1000 k = 0.1200 0.1200 0.1200 ( 6313 PWs) bands (ev): -48.5916 -48.5916 -26.2681 -26.2681 -24.2006 -24.2006 -24.2006 -24.2006 -7.0815 -7.0815 -6.1710 -6.1710 -6.1353 -6.1328 -6.1298 -6.1298 0.6172 0.6184 0.6184 0.6224 1.6898 1.6898 2.0283 2.0283 2.1497 2.1671 2.1764 2.1764 2.7392 2.7392 2.7565 2.7624 2.8162 2.8162 3.3501 3.3501 3.3612 3.3808 3.3824 3.3824 3.7336 3.7336 3.7436 3.7582 4.1561 4.1561 4.1599 4.2944 4.3007 4.3007 4.3665 4.3665 4.4666 4.4666 4.4762 4.5185 4.7901 4.7913 4.7913 4.8884 4.9992 4.9992 5.1298 5.1298 5.5390 5.5390 5.8667 5.8895 5.9372 5.9372 8.2892 8.2892 8.3656 8.3785 8.3785 8.3933 8.6450 8.6450 8.6505 8.6816 9.2213 9.2213 12.0801 12.0916 k = 0.1300 0.1300 0.1300 ( 6319 PWs) bands (ev): -48.5916 -48.5916 -26.2682 -26.2682 -24.2007 -24.2007 -24.2007 -24.2007 -7.0670 -7.0670 -6.1763 -6.1763 -6.1411 -6.1384 -6.1348 -6.1348 0.6378 0.6389 0.6389 0.6434 1.7033 1.7033 2.0096 2.0096 2.1529 2.1715 2.1798 2.1798 2.7234 2.7234 2.7393 2.7446 2.8081 2.8081 3.3371 3.3371 3.3506 3.3648 3.3648 3.3716 3.7507 3.7507 3.7644 3.7765 4.1449 4.1488 4.1488 4.2866 4.2926 4.2926 4.3621 4.3621 4.4665 4.4665 4.4835 4.5249 4.7775 4.7859 4.7859 4.8817 4.9975 4.9975 5.1575 5.1575 5.4904 5.4904 5.8624 5.8868 5.9330 5.9330 8.2971 8.2971 8.3667 8.3809 8.3809 8.3944 8.6738 8.6738 8.6786 8.7100 9.2954 9.2954 12.0710 12.0822 k = 0.1400 0.1400 0.1400 ( 6325 PWs) bands (ev): -48.5916 -48.5916 -26.2683 -26.2683 -24.2008 -24.2008 -24.2008 -24.2008 -7.0515 -7.0515 -6.1820 -6.1820 -6.1472 -6.1444 -6.1400 -6.1400 0.6594 0.6605 0.6605 0.6655 1.7170 1.7170 1.9900 1.9900 2.1564 2.1760 2.1834 2.1834 2.7070 2.7070 2.7215 2.7262 2.7996 2.7996 3.3218 3.3218 3.3401 3.3480 3.3480 3.3625 3.7672 3.7672 3.7852 3.7943 4.1302 4.1416 4.1416 4.2792 4.2838 4.2838 4.3581 4.3581 4.4665 4.4665 4.4898 4.5307 4.7668 4.7811 4.7811 4.8761 4.9950 4.9950 5.1872 5.1872 5.4413 5.4413 5.8577 5.8834 5.9284 5.9284 8.3071 8.3071 8.3678 8.3841 8.3841 8.3956 8.7035 8.7035 8.7075 8.7392 9.3682 9.3682 12.0603 12.0695 k = 0.1500 0.1500 0.1500 ( 6316 PWs) bands (ev): -48.5916 -48.5916 -26.2683 -26.2683 -24.2009 -24.2009 -24.2009 -24.2009 -7.0351 -7.0351 -6.1880 -6.1880 -6.1535 -6.1506 -6.1455 -6.1455 0.6820 0.6830 0.6830 0.6886 1.7305 1.7305 1.9700 1.9700 2.1602 2.1807 2.1873 2.1873 2.6901 2.6901 2.7034 2.7072 2.7910 2.7910 3.3030 3.3030 3.3297 3.3333 3.3333 3.3532 3.7829 3.7829 3.8059 3.8114 4.1161 4.1348 4.1348 4.2724 4.2749 4.2749 4.3544 4.3544 4.4668 4.4668 4.4948 4.5357 4.7582 4.7770 4.7770 4.8715 4.9918 4.9918 5.2186 5.2186 5.3922 5.3922 5.8524 5.8794 5.9234 5.9234 8.3188 8.3188 8.3690 8.3885 8.3885 8.3969 8.7339 8.7339 8.7370 8.7692 9.4393 9.4393 12.0476 12.0555 k = 0.1600 0.1600 0.1600 ( 6319 PWs) bands (ev): -48.5916 -48.5916 -26.2684 -26.2684 -24.2010 -24.2010 -24.2010 -24.2010 -7.0178 -7.0178 -6.1942 -6.1942 -6.1601 -6.1571 -6.1512 -6.1512 0.7055 0.7063 0.7063 0.7125 1.7431 1.7431 1.9502 1.9502 2.1642 2.1856 2.1913 2.1913 2.6729 2.6729 2.6850 2.6880 2.7822 2.7822 3.2809 3.2809 3.3194 3.3205 3.3205 3.3438 3.7978 3.7978 3.8262 3.8278 4.1027 4.1284 4.1284 4.2661 4.2661 4.2664 4.3510 4.3510 4.4673 4.4673 4.4984 4.5399 4.7519 4.7736 4.7736 4.8683 4.9878 4.9878 5.2513 5.2513 5.3436 5.3436 5.8468 5.8749 5.9180 5.9180 8.3311 8.3311 8.3700 8.3948 8.3948 8.3982 8.7648 8.7648 8.7670 8.7996 9.5078 9.5078 12.0329 12.0391 k = 0.1700 0.1700 0.1700 ( 6310 PWs) bands (ev): -48.5916 -48.5916 -26.2685 -26.2685 -24.2011 -24.2011 -24.2011 -24.2011 -6.9997 -6.9997 -6.2007 -6.2007 -6.1670 -6.1639 -6.1571 -6.1571 0.7296 0.7303 0.7303 0.7372 1.7537 1.7537 1.9316 1.9316 2.1684 2.1905 2.1954 2.1954 2.6555 2.6555 2.6665 2.6686 2.7732 2.7732 3.2564 3.2564 3.3089 3.3089 3.3090 3.3342 3.8117 3.8117 3.8433 3.8460 4.0904 4.1227 4.1227 4.2575 4.2575 4.2613 4.3477 4.3477 4.4679 4.4679 4.5004 4.5433 4.7481 4.7710 4.7710 4.8663 4.9831 4.9831 5.2815 5.2815 5.2995 5.2995 5.8410 5.8700 5.9125 5.9125 8.3429 8.3429 8.3710 8.3994 8.4044 8.4044 8.7962 8.7962 8.7974 8.8305 9.5735 9.5735 12.0157 12.0203 k = 0.1800 0.1800 0.1800 ( 6319 PWs) bands (ev): -48.5916 -48.5916 -26.2686 -26.2686 -24.2012 -24.2012 -24.2012 -24.2012 -6.9808 -6.9808 -6.2074 -6.2074 -6.1740 -6.1708 -6.1631 -6.1631 0.7543 0.7548 0.7548 0.7623 1.7605 1.7605 1.9161 1.9161 2.1728 2.1956 2.1997 2.1997 2.6382 2.6382 2.6482 2.6493 2.7641 2.7641 3.2302 3.2302 3.2977 3.2977 3.2985 3.3243 3.8244 3.8244 3.8579 3.8650 4.0794 4.1176 4.1176 4.2495 4.2495 4.2572 4.3446 4.3446 4.4685 4.4685 4.5008 4.5459 4.7467 4.7691 4.7691 4.8657 4.9774 4.9774 5.2464 5.2464 5.3227 5.3227 5.8351 5.8647 5.9069 5.9069 8.3525 8.3525 8.3717 8.4005 8.4184 8.4184 8.8280 8.8280 8.8281 8.8617 9.6357 9.6357 11.9958 11.9987 k = 0.1900 0.1900 0.1900 ( 6301 PWs) bands (ev): -48.5915 -48.5915 -26.2686 -26.2686 -24.2013 -24.2013 -24.2013 -24.2013 -6.9612 -6.9612 -6.2142 -6.2142 -6.1812 -6.1779 -6.1692 -6.1692 0.7793 0.7796 0.7796 0.7879 1.7611 1.7611 1.9061 1.9061 2.1774 2.2007 2.2041 2.2041 2.6212 2.6212 2.6301 2.6303 2.7550 2.7550 3.2028 3.2028 3.2868 3.2868 3.2878 3.3141 3.8360 3.8360 3.8716 3.8830 4.0701 4.1134 4.1134 4.2422 4.2422 4.2542 4.3417 4.3417 4.4694 4.4694 4.4998 4.5476 4.7475 4.7677 4.7677 4.8663 4.9708 4.9708 5.2008 5.2008 5.3589 5.3589 5.8293 5.8594 5.9014 5.9014 8.3595 8.3595 8.3723 8.4014 8.4374 8.4374 8.8589 8.8599 8.8599 8.8932 9.6941 9.6941 11.9729 11.9741 k = 0.2000 0.2000 0.2000 ( 6322 PWs) bands (ev): -48.5916 -48.5916 -26.2687 -26.2687 -24.2015 -24.2015 -24.2015 -24.2015 -6.9409 -6.9409 -6.2212 -6.2212 -6.1885 -6.1852 -6.1755 -6.1755 0.8045 0.8045 0.8045 0.8136 1.7536 1.7536 1.9032 1.9032 2.1821 2.2058 2.2084 2.2084 2.6046 2.6046 2.6118 2.6126 2.7457 2.7457 3.1745 3.1745 3.2758 3.2758 3.2769 3.3036 3.8462 3.8462 3.8843 3.8993 4.0630 4.1098 4.1098 4.2356 4.2356 4.2524 4.3389 4.3389 4.4702 4.4702 4.4973 4.5485 4.7502 4.7666 4.7666 4.8679 4.9630 4.9630 5.1565 5.1565 5.3962 5.3962 5.8238 5.8541 5.8960 5.8960 8.3643 8.3643 8.3726 8.4022 8.4607 8.4607 8.8899 8.8919 8.8919 8.9247 9.7486 9.7486 11.9463 11.9468 k = 0.2100 0.2100 0.2100 ( 6322 PWs) bands (ev): -48.5916 -48.5916 -26.2688 -26.2688 -24.2016 -24.2016 -24.2016 -24.2016 -6.9201 -6.9201 -6.2283 -6.2283 -6.1959 -6.1925 -6.1818 -6.1818 0.8295 0.8295 0.8298 0.8394 1.7382 1.7382 1.9074 1.9074 2.1870 2.2108 2.2128 2.2128 2.5888 2.5888 2.5941 2.5957 2.7365 2.7365 3.1458 3.1458 3.2648 3.2648 3.2657 3.2927 3.8553 3.8553 3.8961 3.9137 4.0585 4.1071 4.1071 4.2299 4.2299 4.2518 4.3363 4.3363 4.4711 4.4711 4.4938 4.5486 4.7545 4.7656 4.7656 4.8705 4.9539 4.9539 5.1142 5.1142 5.4344 5.4344 5.8188 5.8491 5.8912 5.8912 8.3675 8.3675 8.3727 8.4027 8.4874 8.4874 8.9209 8.9240 8.9240 8.9563 9.7990 9.7990 11.9149 11.9170 k = 0.2200 0.2200 0.2200 ( 6313 PWs) bands (ev): -48.5915 -48.5915 -26.2689 -26.2689 -24.2017 -24.2017 -24.2017 -24.2017 -6.8988 -6.8988 -6.2355 -6.2355 -6.2034 -6.1999 -6.1883 -6.1883 0.8542 0.8542 0.8549 0.8651 1.7169 1.7169 1.9165 1.9165 2.1919 2.2158 2.2172 2.2172 2.5739 2.5739 2.5773 2.5796 2.7274 2.7274 3.1170 3.1170 3.2536 3.2536 3.2544 3.2815 3.8632 3.8632 3.9071 3.9255 4.0573 4.1052 4.1052 4.2251 4.2251 4.2523 4.3338 4.3338 4.4721 4.4721 4.4894 4.5480 4.7599 4.7642 4.7642 4.8738 4.9432 4.9432 5.0747 5.0747 5.4732 5.4732 5.8147 5.8447 5.8871 5.8871 8.3697 8.3697 8.3726 8.4030 8.5170 8.5170 8.9518 8.9560 8.9560 8.9877 9.8453 9.8453 11.8798 11.8834 k = 0.2300 0.2300 0.2300 ( 6313 PWs) bands (ev): -48.5915 -48.5915 -26.2690 -26.2690 -24.2018 -24.2018 -24.2018 -24.2018 -6.8770 -6.8770 -6.2428 -6.2428 -6.2109 -6.2074 -6.1947 -6.1947 0.8785 0.8785 0.8796 0.8904 1.6917 1.6917 1.9285 1.9285 2.1969 2.2206 2.2214 2.2214 2.5602 2.5602 2.5617 2.5646 2.7183 2.7183 3.0883 3.0883 3.2423 3.2423 3.2427 3.2698 3.8700 3.8700 3.9174 3.9344 4.0596 4.1040 4.1040 4.2211 4.2211 4.2540 4.3315 4.3315 4.4730 4.4730 4.4842 4.5468 4.7619 4.7619 4.7659 4.8774 4.9307 4.9307 5.0386 5.0386 5.5125 5.5125 5.8116 5.8411 5.8840 5.8840 8.3712 8.3712 8.3722 8.4031 8.5489 8.5489 8.9826 8.9878 8.9878 9.0190 9.8877 9.8877 11.8405 11.8455 k = 0.2400 0.2400 0.2400 ( 6319 PWs) bands (ev): -48.5915 -48.5915 -26.2691 -26.2691 -24.2020 -24.2020 -24.2020 -24.2019 -6.8548 -6.8548 -6.2501 -6.2501 -6.2184 -6.2149 -6.2012 -6.2012 0.9023 0.9023 0.9039 0.9152 1.6640 1.6640 1.9418 1.9418 2.2019 2.2253 2.2256 2.2256 2.5474 2.5477 2.5477 2.5509 2.7092 2.7092 3.0601 3.0601 3.2308 3.2308 3.2308 3.2579 3.8759 3.8759 3.9271 3.9405 4.0653 4.1033 4.1033 4.2180 4.2180 4.2566 4.3292 4.3292 4.4738 4.4738 4.4783 4.5450 4.7580 4.7580 4.7722 4.8813 4.9161 4.9161 5.0069 5.0069 5.5522 5.5522 5.8099 5.8386 5.8820 5.8820 8.3717 8.3723 8.3723 8.4029 8.5826 8.5826 9.0131 9.0192 9.0192 9.0500 9.9264 9.9264 11.7971 11.8032 k = 0.2500 0.2500 0.2500 ( 6331 PWs) bands (ev): -48.5916 -48.5916 -26.2692 -26.2692 -24.2021 -24.2021 -24.2021 -24.2021 -6.8324 -6.8324 -6.2573 -6.2573 -6.2259 -6.2224 -6.2076 -6.2076 0.9253 0.9253 0.9274 0.9392 1.6348 1.6348 1.9553 1.9553 2.2069 2.2296 2.2296 2.2297 2.5347 2.5368 2.5368 2.5385 2.7003 2.7003 3.0329 3.0329 3.2187 3.2191 3.2191 3.2456 3.8810 3.8810 3.9364 3.9445 4.0738 4.1032 4.1032 4.2156 4.2156 4.2600 4.3271 4.3271 4.4721 4.4745 4.4745 4.5426 4.7515 4.7515 4.7783 4.8849 4.8998 4.8998 4.9799 4.9799 5.5921 5.5921 5.8099 5.8376 5.8816 5.8816 8.3709 8.3729 8.3729 8.4026 8.6179 8.6179 9.0432 9.0502 9.0502 9.0805 9.9618 9.9618 11.7492 11.7563 k = 0.2600 0.2600 0.2600 ( 6319 PWs) bands (ev): -48.5915 -48.5915 -26.2693 -26.2693 -24.2022 -24.2022 -24.2022 -24.2022 -6.8097 -6.8097 -6.2646 -6.2646 -6.2333 -6.2298 -6.2141 -6.2141 0.9474 0.9474 0.9501 0.9624 1.6047 1.6047 1.9684 1.9684 2.2119 2.2335 2.2335 2.2340 2.5237 2.5275 2.5275 2.5278 2.6916 2.6916 3.0070 3.0070 3.2063 3.2072 3.2072 3.2330 3.8857 3.8857 3.9455 3.9470 4.0844 4.1035 4.1035 4.2138 4.2138 4.2642 4.3253 4.3253 4.4655 4.4750 4.4750 4.5398 4.7414 4.7414 4.7838 4.8831 4.8831 4.8880 4.9574 4.9574 5.6321 5.6321 5.8119 5.8383 5.8830 5.8830 8.3701 8.3734 8.3734 8.4020 8.6543 8.6543 9.0728 9.0805 9.0805 9.1104 9.9942 9.9942 11.6969 11.7048 k = 0.2700 0.2700 0.2700 ( 6316 PWs) bands (ev): -48.5915 -48.5915 -26.2693 -26.2693 -24.2023 -24.2023 -24.2023 -24.2023 -6.7869 -6.7869 -6.2718 -6.2718 -6.2406 -6.2372 -6.2205 -6.2205 0.9683 0.9683 0.9718 0.9845 1.5740 1.5740 1.9804 1.9804 2.2169 2.2373 2.2373 2.2381 2.5146 2.5186 2.5199 2.5199 2.6831 2.6831 2.9829 2.9829 3.1938 3.1953 3.1953 3.2202 3.8899 3.8899 3.9489 3.9545 4.0962 4.1041 4.1041 4.2125 4.2125 4.2688 4.3234 4.3234 4.4587 4.4754 4.4754 4.5365 4.7270 4.7270 4.7883 4.8675 4.8675 4.8902 4.9383 4.9383 5.6720 5.6720 5.8160 5.8410 5.8864 5.8864 8.3692 8.3736 8.3736 8.4013 8.6917 8.6917 9.1017 9.1101 9.1101 9.1395 10.0242 10.0242 11.6402 11.6488 k = 0.2800 0.2800 0.2800 ( 6310 PWs) bands (ev): -48.5915 -48.5915 -26.2694 -26.2694 -24.2025 -24.2025 -24.2025 -24.2024 -6.7640 -6.7640 -6.2789 -6.2789 -6.2479 -6.2445 -6.2268 -6.2268 0.9881 0.9881 0.9923 1.0053 1.5431 1.5431 1.9909 1.9909 2.2219 2.2411 2.2411 2.2420 2.5072 2.5112 2.5141 2.5141 2.6748 2.6748 2.9608 2.9608 3.1811 3.1832 3.1832 3.2072 3.8939 3.8939 3.9506 3.9635 4.1051 4.1051 4.1087 4.2116 4.2116 4.2738 4.3217 4.3217 4.4517 4.4755 4.4755 4.5329 4.7083 4.7083 4.7915 4.8542 4.8542 4.8913 4.9214 4.9214 5.7116 5.7116 5.8227 5.8460 5.8921 5.8921 8.3682 8.3738 8.3738 8.4004 8.7296 8.7296 9.1298 9.1387 9.1387 9.1677 10.0522 10.0522 11.5794 11.5884 k = 0.2900 0.2900 0.2900 ( 6310 PWs) bands (ev): -48.5915 -48.5915 -26.2695 -26.2695 -24.2026 -24.2026 -24.2026 -24.2026 -6.7412 -6.7412 -6.2858 -6.2858 -6.2549 -6.2516 -6.2331 -6.2331 1.0064 1.0064 1.0115 1.0249 1.5122 1.5122 1.9996 1.9996 2.2269 2.2448 2.2448 2.2458 2.5018 2.5055 2.5101 2.5101 2.6668 2.6668 2.9413 2.9413 3.1684 3.1710 3.1710 3.1940 3.8977 3.8977 3.9527 3.9728 4.1063 4.1063 4.1213 4.2110 4.2110 4.2789 4.3201 4.3201 4.4445 4.4753 4.4753 4.5289 4.6864 4.6864 4.7932 4.8428 4.8428 4.8909 4.9058 4.9058 5.7509 5.7509 5.8319 5.8535 5.9003 5.9003 8.3673 8.3739 8.3739 8.3995 8.7677 8.7677 9.1569 9.1662 9.1662 9.1947 10.0786 10.0786 11.5149 11.5240 k = 0.3000 0.3000 0.3000 ( 6310 PWs) bands (ev): -48.5915 -48.5915 -26.2696 -26.2696 -24.2027 -24.2027 -24.2027 -24.2027 -6.7184 -6.7184 -6.2927 -6.2927 -6.2619 -6.2586 -6.2393 -6.2393 1.0233 1.0233 1.0293 1.0429 1.4816 1.4816 2.0060 2.0060 2.2320 2.2487 2.2487 2.2496 2.4982 2.5016 2.5077 2.5077 2.6591 2.6591 2.9245 2.9245 3.1556 3.1588 3.1588 3.1808 3.9016 3.9016 3.9554 3.9824 4.1077 4.1077 4.1339 4.2105 4.2105 4.2842 4.3185 4.3185 4.4373 4.4747 4.4747 4.5247 4.6627 4.6627 4.7932 4.8327 4.8327 4.8888 4.8909 4.8909 5.7894 5.7894 5.8439 5.8636 5.9114 5.9114 8.3665 8.3740 8.3740 8.3986 8.8058 8.8058 9.1826 9.1922 9.1922 9.2204 10.1041 10.1041 11.4472 11.4563 k = 0.3100 0.3100 0.3100 ( 6319 PWs) bands (ev): -48.5915 -48.5915 -26.2697 -26.2697 -24.2028 -24.2028 -24.2028 -24.2028 -6.6958 -6.6958 -6.2993 -6.2993 -6.2686 -6.2654 -6.2455 -6.2455 1.0386 1.0386 1.0456 1.0593 1.4515 1.4515 2.0100 2.0100 2.2372 2.2527 2.2527 2.2536 2.4963 2.4993 2.5070 2.5070 2.6517 2.6517 2.9108 2.9108 3.1429 3.1467 3.1467 3.1675 3.9054 3.9054 3.9588 3.9924 4.1093 4.1093 4.1462 4.2101 4.2101 4.2894 4.3168 4.3168 4.4299 4.4736 4.4736 4.5201 4.6384 4.6384 4.7912 4.8226 4.8226 4.8766 4.8766 4.8848 5.8270 5.8270 5.8587 5.8765 5.9253 5.9253 8.3659 8.3742 8.3742 8.3978 8.8434 8.8434 9.2069 9.2167 9.2167 9.2443 10.1289 10.1289 11.3769 11.3858 k = 0.3200 0.3200 0.3200 ( 6313 PWs) bands (ev): -48.5915 -48.5915 -26.2698 -26.2698 -24.2029 -24.2029 -24.2029 -24.2029 -6.6736 -6.6736 -6.3058 -6.3058 -6.2751 -6.2720 -6.2515 -6.2515 1.0523 1.0523 1.0603 1.0741 1.4220 1.4220 2.0114 2.0114 2.2427 2.2570 2.2570 2.2578 2.4959 2.4986 2.5078 2.5078 2.6446 2.6446 2.9004 2.9004 3.1303 3.1345 3.1345 3.1542 3.9093 3.9093 3.9631 4.0029 4.1112 4.1112 4.1581 4.2097 4.2097 4.2945 4.3152 4.3152 4.4226 4.4720 4.4720 4.5154 4.6147 4.6147 4.7873 4.8121 4.8121 4.8627 4.8627 4.8789 5.8634 5.8634 5.8762 5.8921 5.9425 5.9425 8.3655 8.3747 8.3747 8.3971 8.8804 8.8804 9.2293 9.2392 9.2392 9.2663 10.1534 10.1534 11.3048 11.3134 k = 0.3300 0.3300 0.3300 ( 6322 PWs) bands (ev): -48.5915 -48.5915 -26.2699 -26.2699 -24.2031 -24.2030 -24.2030 -24.2030 -6.6516 -6.6516 -6.3121 -6.3121 -6.2814 -6.2784 -6.2575 -6.2575 1.0644 1.0644 1.0735 1.0872 1.3933 1.3933 2.0102 2.0102 2.2484 2.2618 2.2618 2.2624 2.4969 2.4993 2.5098 2.5098 2.6380 2.6380 2.8933 2.8933 3.1178 3.1225 3.1225 3.1411 3.9132 3.9132 3.9683 4.0139 4.1132 4.1132 4.1696 4.2092 4.2092 4.2993 4.3134 4.3134 4.4153 4.4698 4.4698 4.5105 4.5922 4.5922 4.7815 4.8005 4.8005 4.8491 4.8491 4.8709 5.8962 5.8981 5.8981 5.9103 5.9628 5.9628 8.3656 8.3754 8.3754 8.3967 8.9164 8.9164 9.2497 9.2594 9.2594 9.2861 10.1780 10.1780 11.2318 11.2400 k = 0.3400 0.3400 0.3400 ( 6292 PWs) bands (ev): -48.5913 -48.5913 -26.2699 -26.2699 -24.2031 -24.2031 -24.2031 -24.2031 -6.6301 -6.6301 -6.3181 -6.3181 -6.2874 -6.2846 -6.2633 -6.2633 1.0749 1.0749 1.0851 1.0987 1.3655 1.3655 2.0065 2.0065 2.2544 2.2669 2.2669 2.2674 2.4992 2.5013 2.5129 2.5129 2.6318 2.6318 2.8895 2.8895 3.1055 3.1106 3.1106 3.1281 3.9172 3.9172 3.9746 4.0254 4.1156 4.1156 4.1805 4.2086 4.2086 4.3038 4.3115 4.3115 4.4083 4.4668 4.4668 4.5055 4.5719 4.5719 4.7738 4.7879 4.7879 4.8356 4.8356 4.8610 5.9187 5.9310 5.9311 5.9311 5.9864 5.9864 8.3660 8.3764 8.3764 8.3966 8.9511 8.9511 9.2678 9.2772 9.2772 9.3034 10.2029 10.2029 11.1588 11.1665 k = 0.3500 0.3500 0.3500 ( 6286 PWs) bands (ev): -48.5913 -48.5913 -26.2700 -26.2700 -24.2032 -24.2032 -24.2032 -24.2032 -6.6091 -6.6091 -6.3239 -6.3239 -6.2932 -6.2905 -6.2691 -6.2691 1.0838 1.0838 1.0952 1.1086 1.3389 1.3389 2.0004 2.0004 2.2608 2.2725 2.2725 2.2729 2.5023 2.5043 2.5169 2.5169 2.6260 2.6260 2.8888 2.8888 3.0936 3.0989 3.0989 3.1153 3.9212 3.9212 3.9817 4.0375 4.1181 4.1181 4.1909 4.2078 4.2078 4.3077 4.3092 4.3092 4.4015 4.4629 4.4629 4.5004 4.5541 4.5541 4.7645 4.7743 4.7743 4.8220 4.8220 4.8491 5.9432 5.9539 5.9622 5.9622 6.0128 6.0128 8.3670 8.3779 8.3779 8.3969 8.9842 8.9842 9.2831 9.2922 9.2922 9.3178 10.2283 10.2283 11.0867 11.0940 k = 0.3600 0.3600 0.3600 ( 6292 PWs) bands (ev): -48.5913 -48.5913 -26.2701 -26.2701 -24.2033 -24.2033 -24.2033 -24.2033 -6.5887 -6.5887 -6.3294 -6.3294 -6.2987 -6.2961 -6.2748 -6.2748 1.0912 1.0912 1.1039 1.1168 1.3135 1.3135 1.9922 1.9922 2.2675 2.2785 2.2785 2.2789 2.5062 2.5081 2.5216 2.5216 2.6207 2.6207 2.8910 2.8910 3.0819 3.0875 3.0875 3.1028 3.9249 3.9249 3.9898 4.0500 4.1209 4.1209 4.2006 4.2068 4.2068 4.3066 4.3066 4.3108 4.3951 4.4580 4.4580 4.4951 4.5393 4.5393 4.7536 4.7600 4.7600 4.8080 4.8080 4.8354 5.9695 5.9787 5.9919 5.9919 6.0410 6.0410 8.3686 8.3798 8.3798 8.3976 9.0157 9.0157 9.2954 9.3041 9.3041 9.3291 10.2542 10.2542 11.0164 11.0232 k = 0.3700 0.3700 0.3700 ( 6292 PWs) bands (ev): -48.5913 -48.5913 -26.2701 -26.2701 -24.2034 -24.2034 -24.2034 -24.2034 -6.5689 -6.5689 -6.3347 -6.3347 -6.3038 -6.3013 -6.2804 -6.2804 1.0973 1.0973 1.1112 1.1237 1.2894 1.2894 1.9823 1.9823 2.2746 2.2849 2.2849 2.2854 2.5107 2.5126 2.5267 2.5267 2.6159 2.6159 2.8956 2.8956 3.0708 3.0764 3.0764 3.0906 3.9285 3.9285 3.9988 4.0629 4.1239 4.1239 4.2055 4.2055 4.2097 4.3036 4.3036 4.3130 4.3896 4.4524 4.4524 4.4899 4.5276 4.5276 4.7415 4.7452 4.7452 4.7935 4.7935 4.8202 5.9971 6.0049 6.0208 6.0208 6.0700 6.0700 8.3709 8.3823 8.3823 8.3989 9.0452 9.0452 9.3045 9.3126 9.3126 9.3369 10.2807 10.2807 10.9490 10.9553 k = 0.3800 0.3800 0.3800 ( 6292 PWs) bands (ev): -48.5913 -48.5913 -26.2702 -26.2702 -24.2035 -24.2035 -24.2035 -24.2035 -6.5498 -6.5498 -6.3396 -6.3396 -6.3086 -6.3063 -6.2859 -6.2859 1.1020 1.1020 1.1173 1.1291 1.2668 1.2668 1.9711 1.9711 2.2819 2.2917 2.2917 2.2922 2.5155 2.5175 2.5319 2.5319 2.6118 2.6118 2.9023 2.9023 3.0601 3.0657 3.0657 3.0789 3.9318 3.9318 4.0087 4.0762 4.1272 4.1272 4.2040 4.2040 4.2182 4.3002 4.3002 4.3138 4.3851 4.4464 4.4464 4.4847 4.5189 4.5189 4.7284 4.7302 4.7302 4.7786 4.7786 4.8036 6.0255 6.0321 6.0491 6.0491 6.0990 6.0990 8.3739 8.3853 8.3853 8.4008 9.0726 9.0726 9.3102 9.3176 9.3176 9.3410 10.3077 10.3077 10.8852 10.8910 k = 0.3900 0.3900 0.3900 ( 6299 PWs) bands (ev): -48.5913 -48.5913 -26.2702 -26.2702 -24.2036 -24.2036 -24.2036 -24.2036 -6.5316 -6.5316 -6.3443 -6.3443 -6.3131 -6.3110 -6.2914 -6.2914 1.1056 1.1056 1.1223 1.1334 1.2458 1.2458 1.9590 1.9590 2.2895 2.2986 2.2986 2.2993 2.5205 2.5227 2.5371 2.5371 2.6083 2.6083 2.9107 2.9107 3.0501 3.0555 3.0555 3.0677 3.9347 3.9347 4.0195 4.0898 4.1307 4.1307 4.2022 4.2022 4.2261 4.2965 4.2965 4.3131 4.3820 4.4405 4.4405 4.4795 4.5125 4.5125 4.7145 4.7152 4.7152 4.7632 4.7632 4.7859 6.0543 6.0598 6.0770 6.0770 6.1272 6.1272 8.3777 8.3890 8.3890 8.4033 9.0978 9.0978 9.3123 9.3190 9.3190 9.3415 10.3349 10.3349 10.8257 10.8312 k = 0.4000 0.4000 0.4000 ( 6299 PWs) bands (ev): -48.5913 -48.5913 -26.2703 -26.2703 -24.2037 -24.2037 -24.2037 -24.2037 -6.5142 -6.5142 -6.3486 -6.3486 -6.3173 -6.3153 -6.2968 -6.2968 1.1081 1.1081 1.1262 1.1366 1.2264 1.2264 1.9464 1.9464 2.2972 2.3056 2.3056 2.3066 2.5255 2.5279 2.5420 2.5420 2.6056 2.6056 2.9203 2.9203 3.0407 3.0458 3.0458 3.0571 3.9372 3.9372 4.0310 4.1034 4.1345 4.1345 4.2003 4.2003 4.2334 4.2925 4.2925 4.3107 4.3805 4.4353 4.4353 4.4744 4.5082 4.5082 4.7004 4.7006 4.7006 4.7475 4.7475 4.7674 6.0831 6.0876 6.1042 6.1042 6.1543 6.1543 8.3822 8.3932 8.3932 8.4064 9.1208 9.1208 9.3108 9.3167 9.3167 9.3382 10.3621 10.3621 10.7713 10.7764 k = 0.4100 0.4100 0.4100 ( 6272 PWs) bands (ev): -48.5912 -48.5912 -26.2703 -26.2703 -24.2038 -24.2038 -24.2038 -24.2037 -6.4976 -6.4976 -6.3527 -6.3527 -6.3210 -6.3192 -6.3021 -6.3021 1.1097 1.1097 1.1294 1.1389 1.2089 1.2089 1.9338 1.9338 2.3048 2.3126 2.3126 2.3138 2.5305 2.5331 2.5464 2.5464 2.6038 2.6038 2.9306 2.9306 3.0320 3.0367 3.0367 3.0471 3.9391 3.9391 4.0433 4.1169 4.1385 4.1385 4.1983 4.1983 4.2400 4.2884 4.2884 4.3066 4.3808 4.4311 4.4311 4.4695 4.5054 4.5054 4.6862 4.6865 4.6865 4.7317 4.7317 4.7484 6.1112 6.1149 6.1303 6.1303 6.1799 6.1799 8.3875 8.3981 8.3981 8.4101 9.1415 9.1415 9.3061 9.3111 9.3111 9.3314 10.3890 10.3890 10.7225 10.7271 k = 0.4200 0.4200 0.4200 ( 6266 PWs) bands (ev): -48.5912 -48.5912 -26.2704 -26.2704 -24.2038 -24.2038 -24.2038 -24.2038 -6.4821 -6.4821 -6.3564 -6.3564 -6.3244 -6.3228 -6.3073 -6.3073 1.1104 1.1104 1.1318 1.1404 1.1932 1.1932 1.9214 1.9214 2.3123 2.3194 2.3194 2.3208 2.5353 2.5379 2.5500 2.5500 2.6029 2.6029 2.9412 2.9412 3.0241 3.0282 3.0282 3.0378 3.9405 3.9405 4.0561 4.1299 4.1425 4.1425 4.1964 4.1964 4.2459 4.2844 4.2844 4.3011 4.3825 4.4279 4.4279 4.4646 4.5037 4.5037 4.6724 4.6732 4.6732 4.7159 4.7159 4.7292 6.1381 6.1411 6.1550 6.1550 6.2039 6.2039 8.3934 8.4034 8.4034 8.4143 9.1599 9.1599 9.2984 9.3026 9.3026 9.3215 10.4151 10.4151 10.6794 10.6837 k = 0.4300 0.4300 0.4300 ( 6278 PWs) bands (ev): -48.5912 -48.5912 -26.2704 -26.2704 -24.2039 -24.2039 -24.2039 -24.2039 -6.4675 -6.4675 -6.3599 -6.3599 -6.3274 -6.3260 -6.3125 -6.3125 1.1105 1.1105 1.1337 1.1413 1.1796 1.1796 1.9098 1.9098 2.3196 2.3258 2.3258 2.3274 2.5397 2.5424 2.5528 2.5528 2.6028 2.6028 2.9517 2.9517 3.0171 3.0205 3.0205 3.0293 3.9413 3.9413 4.0694 4.1422 4.1464 4.1464 4.1946 4.1946 4.2510 4.2804 4.2804 4.2946 4.3854 4.4257 4.4257 4.4598 4.5030 4.5030 4.6592 4.6607 4.6607 4.7003 4.7003 4.7102 6.1634 6.1657 6.1777 6.1777 6.2259 6.2259 8.3998 8.4091 8.4091 8.4188 9.1760 9.1760 9.2884 9.2917 9.2917 9.3092 10.4400 10.4400 10.6422 10.6462 k = 0.4400 0.4400 0.4400 ( 6266 PWs) bands (ev): -48.5912 -48.5912 -26.2705 -26.2705 -24.2039 -24.2039 -24.2039 -24.2039 -6.4539 -6.4539 -6.3632 -6.3632 -6.3300 -6.3288 -6.3176 -6.3176 1.1099 1.1099 1.1351 1.1418 1.1680 1.1680 1.8990 1.8990 2.3263 2.3317 2.3317 2.3335 2.5437 2.5464 2.5546 2.5546 2.6035 2.6035 2.9616 2.9616 3.0111 3.0137 3.0137 3.0216 3.9416 3.9416 4.0831 4.1501 4.1501 4.1532 4.1933 4.1933 4.2554 4.2769 4.2769 4.2877 4.3893 4.4245 4.4245 4.4550 4.5031 4.5031 4.6471 4.6496 4.6496 4.6854 4.6854 4.6919 6.1865 6.1883 6.1981 6.1981 6.2458 6.2458 8.4066 8.4150 8.4150 8.4234 9.1898 9.1898 9.2770 9.2793 9.2793 9.2952 10.4631 10.4631 10.6110 10.6145 k = 0.4500 0.4500 0.4500 ( 6263 PWs) bands (ev): -48.5911 -48.5911 -26.2705 -26.2705 -24.2040 -24.2040 -24.2040 -24.2040 -6.4415 -6.4415 -6.3662 -6.3662 -6.3322 -6.3312 -6.3224 -6.3224 1.1087 1.1087 1.1362 1.1418 1.1585 1.1585 1.8895 1.8895 2.3325 2.3370 2.3370 2.3388 2.5473 2.5498 2.5558 2.5558 2.6048 2.6048 2.9706 2.9706 3.0060 3.0079 3.0079 3.0149 3.9416 3.9416 4.0969 4.1532 4.1532 4.1623 4.1926 4.1926 4.2589 4.2736 4.2736 4.2809 4.3940 4.4238 4.4238 4.4503 4.5038 4.5038 4.6365 4.6399 4.6399 4.6713 4.6713 4.6745 6.2069 6.2084 6.2157 6.2157 6.2633 6.2633 8.4135 8.4207 8.4207 8.4280 9.2014 9.2014 9.2650 9.2663 9.2663 9.2805 10.4838 10.4838 10.5853 10.5884 k = 0.4600 0.4600 0.4600 ( 6251 PWs) bands (ev): -48.5911 -48.5911 -26.2705 -26.2705 -24.2040 -24.2040 -24.2040 -24.2040 -6.4303 -6.4303 -6.3692 -6.3692 -6.3340 -6.3331 -6.3269 -6.3269 1.1072 1.1072 1.1371 1.1416 1.1512 1.1512 1.8814 1.8814 2.3380 2.3415 2.3415 2.3432 2.5503 2.5526 2.5564 2.5564 2.6063 2.6063 2.9784 2.9784 3.0019 3.0030 3.0030 3.0092 3.9413 3.9413 4.1108 4.1557 4.1557 4.1689 4.1926 4.1926 4.2616 4.2707 4.2707 4.2748 4.3994 4.4236 4.4236 4.4456 4.5051 4.5051 4.6278 4.6319 4.6319 4.6585 4.6585 4.6586 6.2243 6.2254 6.2305 6.2305 6.2782 6.2782 8.4201 8.4261 8.4261 8.4320 9.2106 9.2106 9.2535 9.2538 9.2538 9.2661 10.5016 10.5016 10.5651 10.5676 k = 0.4700 0.4700 0.4700 ( 6245 PWs) bands (ev): -48.5910 -48.5910 -26.2705 -26.2705 -24.2040 -24.2040 -24.2040 -24.2040 -6.4205 -6.4205 -6.3720 -6.3720 -6.3353 -6.3347 -6.3309 -6.3309 1.1056 1.1056 1.1378 1.1412 1.1459 1.1459 1.8749 1.8749 2.3426 2.3451 2.3451 2.3467 2.5529 2.5547 2.5567 2.5567 2.6077 2.6077 2.9846 2.9846 2.9990 2.9993 2.9993 3.0044 3.9409 3.9409 4.1243 4.1574 4.1574 4.1720 4.1931 4.1931 4.2634 4.2684 4.2684 4.2701 4.4053 4.4236 4.4236 4.4406 4.5066 4.5066 4.6214 4.6257 4.6257 4.6447 4.6474 4.6474 6.2383 6.2391 6.2420 6.2420 6.2902 6.2902 8.4262 8.4308 8.4308 8.4353 9.2176 9.2176 9.2430 9.2430 9.2435 9.2532 10.5158 10.5158 10.5499 10.5518 k = 0.4800 0.4800 0.4800 ( 6257 PWs) bands (ev): -48.5911 -48.5911 -26.2705 -26.2705 -24.2040 -24.2040 -24.2040 -24.2040 -6.4124 -6.4124 -6.3748 -6.3748 -6.3363 -6.3359 -6.3341 -6.3341 1.1041 1.1041 1.1384 1.1407 1.1423 1.1423 1.8702 1.8702 2.3462 2.3478 2.3478 2.3490 2.5548 2.5560 2.5567 2.5567 2.6089 2.6089 2.9887 2.9887 2.9971 2.9971 2.9971 3.0007 3.9404 3.9404 4.1371 4.1583 4.1583 4.1713 4.1939 4.1939 4.2644 4.2666 4.2666 4.2670 4.4114 4.4237 4.4237 4.4354 4.5081 4.5081 4.6176 4.6217 4.6217 4.6332 4.6385 4.6385 6.2486 6.2490 6.2503 6.2503 6.2990 6.2990 8.4313 8.4344 8.4344 8.4375 9.2217 9.2217 9.2353 9.2353 9.2361 9.2426 10.5257 10.5257 10.5394 10.5407 k = 0.4900 0.4900 0.4900 ( 6272 PWs) bands (ev): -48.5912 -48.5912 -26.2706 -26.2706 -24.2041 -24.2041 -24.2041 -24.2041 -6.4067 -6.4067 -6.3772 -6.3772 -6.3368 -6.3366 -6.3362 -6.3362 1.1031 1.1031 1.1390 1.1402 1.1403 1.1403 1.8673 1.8673 2.3486 2.3494 2.3494 2.3501 2.5560 2.5567 2.5567 2.5567 2.6096 2.6096 2.9905 2.9905 2.9963 2.9965 2.9965 2.9981 3.9401 3.9401 4.1489 4.1588 4.1588 4.1667 4.1945 4.1945 4.2648 4.2654 4.2654 4.2655 4.4177 4.4238 4.4238 4.4298 4.5091 4.5091 4.6167 4.6195 4.6195 4.6245 4.6324 4.6324 6.2548 6.2550 6.2553 6.2553 6.3044 6.3044 8.4351 8.4367 8.4367 8.4383 9.2224 9.2224 9.2320 9.2320 9.2320 9.2353 10.5305 10.5305 10.5333 10.5340 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -48.5912 -48.5912 -26.2706 -26.2706 -24.2041 -24.2041 -24.2041 -24.2041 -6.4045 -6.4045 -6.3782 -6.3782 -6.3369 -6.3369 -6.3369 -6.3369 1.1027 1.1027 1.1396 1.1396 1.1396 1.1396 1.8663 1.8663 2.3499 2.3499 2.3499 2.3499 2.5567 2.5567 2.5567 2.5567 2.6099 2.6099 2.9907 2.9907 2.9966 2.9966 2.9966 2.9966 3.9400 3.9400 4.1590 4.1590 4.1590 4.1590 4.1948 4.1948 4.2650 4.2650 4.2650 4.2650 4.4238 4.4238 4.4238 4.4238 4.5095 4.5095 4.6190 4.6190 4.6190 4.6190 4.6302 4.6302 6.2570 6.2570 6.2570 6.2570 6.3062 6.3062 8.4375 8.4375 8.4375 8.4375 9.2219 9.2219 9.2317 9.2317 9.2317 9.2317 10.5316 10.5316 10.5316 10.5316 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -48.5912 -48.5912 -26.2706 -26.2706 -24.2041 -24.2041 -24.2041 -24.2041 -6.4045 -6.4045 -6.3782 -6.3782 -6.3369 -6.3369 -6.3369 -6.3369 1.1027 1.1027 1.1396 1.1396 1.1396 1.1396 1.8663 1.8663 2.3499 2.3499 2.3499 2.3499 2.5567 2.5567 2.5567 2.5567 2.6099 2.6099 2.9907 2.9907 2.9966 2.9966 2.9966 2.9966 3.9400 3.9400 4.1590 4.1590 4.1590 4.1590 4.1948 4.1948 4.2650 4.2650 4.2650 4.2650 4.4238 4.4238 4.4238 4.4238 4.5095 4.5095 4.6190 4.6190 4.6190 4.6190 4.6302 4.6302 6.2570 6.2570 6.2570 6.2570 6.3062 6.3062 8.4375 8.4375 8.4375 8.4375 9.2219 9.2219 9.2317 9.2317 9.2317 9.2317 10.5316 10.5316 10.5316 10.5316 k = 0.4878 0.5000 0.4878 ( 6272 PWs) bands (ev): -48.5912 -48.5912 -26.2706 -26.2706 -24.2041 -24.2041 -24.2041 -24.2041 -6.4067 -6.4067 -6.3773 -6.3772 -6.3369 -6.3367 -6.3362 -6.3361 1.1031 1.1031 1.1391 1.1401 1.1402 1.1404 1.8673 1.8673 2.3487 2.3492 2.3496 2.3500 2.5560 2.5565 2.5567 2.5570 2.6096 2.6096 2.9903 2.9907 2.9959 2.9964 2.9969 2.9980 3.9401 3.9401 4.1492 4.1565 4.1610 4.1665 4.1945 4.1945 4.2647 4.2650 4.2655 4.2659 4.4179 4.4223 4.4253 4.4295 4.5091 4.5092 4.6164 4.6188 4.6207 4.6245 4.6322 4.6326 6.2547 6.2548 6.2555 6.2556 6.3044 6.3044 8.4350 8.4365 8.4369 8.4384 9.2222 9.2227 9.2319 9.2319 9.2322 9.2352 10.5308 10.5309 10.5330 10.5337 k = 0.4756 0.5000 0.4756 ( 6260 PWs) bands (ev): -48.5911 -48.5911 -26.2705 -26.2705 -24.2041 -24.2041 -24.2040 -24.2040 -6.4124 -6.4122 -6.3752 -6.3747 -6.3366 -6.3362 -6.3340 -6.3337 1.1041 1.1042 1.1387 1.1409 1.1417 1.1424 1.8701 1.8702 2.3462 2.3475 2.3481 2.3490 2.5545 2.5555 2.5569 2.5574 2.6089 2.6089 2.9881 2.9906 2.9944 2.9975 2.9983 3.0004 3.9404 3.9404 4.1378 4.1538 4.1622 4.1715 4.1938 4.1939 4.2639 4.2651 4.2669 4.2685 4.4118 4.4209 4.4265 4.4349 4.5081 4.5084 4.6147 4.6214 4.6247 4.6334 4.6372 4.6392 6.2478 6.2482 6.2510 6.2513 6.2991 6.2992 8.4302 8.4340 8.4349 8.4387 9.2211 9.2248 9.2327 9.2345 9.2366 9.2428 10.5278 10.5280 10.5372 10.5384 k = 0.4634 0.5000 0.4634 ( 6242 PWs) bands (ev): -48.5910 -48.5910 -26.2705 -26.2705 -24.2040 -24.2040 -24.2040 -24.2040 -6.4204 -6.4199 -6.3730 -6.3718 -6.3360 -6.3352 -6.3307 -6.3300 1.1055 1.1058 1.1386 1.1417 1.1445 1.1457 1.8748 1.8749 2.3425 2.3449 2.3454 2.3470 2.5521 2.5536 2.5571 2.5579 2.6078 2.6079 2.9838 2.9891 2.9930 3.0001 3.0011 3.0039 3.9408 3.9410 4.1253 4.1509 4.1616 4.1739 4.1930 4.1932 4.2627 4.2654 4.2688 4.2729 4.4057 4.4200 4.4271 4.4399 4.5069 4.5079 4.6137 4.6273 4.6315 4.6428 4.6466 4.6490 6.2366 6.2373 6.2436 6.2440 6.2905 6.2908 8.4233 8.4289 8.4327 8.4383 9.2174 9.2259 9.2347 9.2395 9.2460 9.2541 10.5216 10.5217 10.5425 10.5440 k = 0.4512 0.5000 0.4512 ( 6252 PWs) bands (ev): -48.5911 -48.5911 -26.2705 -26.2705 -24.2040 -24.2040 -24.2040 -24.2040 -6.4298 -6.4291 -6.3711 -6.3688 -6.3352 -6.3339 -6.3265 -6.3253 1.1071 1.1075 1.1391 1.1429 1.1484 1.1504 1.8813 1.8815 2.3378 2.3414 2.3415 2.3440 2.5487 2.5507 2.5573 2.5582 2.6067 2.6067 2.9775 2.9847 2.9935 3.0042 3.0046 3.0087 3.9411 3.9415 4.1121 4.1479 4.1585 4.1736 4.1921 4.1935 4.2608 4.2660 4.2709 4.2787 4.3996 4.4197 4.4271 4.4444 4.5063 4.5081 4.6134 4.6359 4.6409 4.6512 4.6610 4.6611 6.2210 6.2221 6.2331 6.2337 6.2790 6.2796 8.4149 8.4222 8.4300 8.4374 9.2116 9.2239 9.2397 9.2463 9.2585 9.2684 10.5126 10.5128 10.5490 10.5507 k = 0.4390 0.5000 0.4390 ( 6256 PWs) bands (ev): -48.5911 -48.5911 -26.2705 -26.2705 -24.2040 -24.2040 -24.2039 -24.2039 -6.4405 -6.4395 -6.3697 -6.3660 -6.3342 -6.3321 -6.3218 -6.3199 1.1085 1.1089 1.1404 1.1446 1.1535 1.1565 1.8893 1.8897 2.3322 2.3367 2.3372 2.3403 2.5445 2.5468 2.5571 2.5584 2.6058 2.6058 2.9697 2.9783 2.9950 3.0088 3.0097 3.0149 3.9413 3.9418 4.0987 4.1449 4.1527 4.1711 4.1912 4.1954 4.2584 4.2671 4.2731 4.2854 4.3936 4.4204 4.4263 4.4487 4.5067 4.5095 4.6143 4.6466 4.6518 4.6618 4.6747 4.6774 6.2013 6.2028 6.2197 6.2205 6.2650 6.2660 8.4055 8.4145 8.4269 8.4360 9.2040 9.2195 9.2464 9.2542 9.2728 9.2844 10.5017 10.5022 10.5575 10.5594 k = 0.4268 0.5000 0.4268 ( 6266 PWs) bands (ev): -48.5912 -48.5912 -26.2705 -26.2705 -24.2040 -24.2040 -24.2039 -24.2039 -6.4520 -6.4508 -6.3687 -6.3635 -6.3327 -6.3297 -6.3166 -6.3140 1.1093 1.1093 1.1431 1.1470 1.1598 1.1639 1.8988 1.8995 2.3257 2.3309 2.3324 2.3359 2.5392 2.5420 2.5564 2.5580 2.6053 2.6055 2.9603 2.9703 2.9974 3.0137 3.0165 3.0223 3.9411 3.9418 4.0856 4.1417 4.1448 4.1671 4.1906 4.1985 4.2556 4.2689 4.2753 4.2924 4.3880 4.4221 4.4249 4.4527 4.5084 4.5121 4.6164 4.6590 4.6627 4.6757 4.6895 4.6948 6.1780 6.1800 6.2035 6.2044 6.2488 6.2502 8.3958 8.4063 8.4232 8.4340 9.1943 9.2128 9.2539 9.2628 9.2875 9.3009 10.4898 10.4908 10.5685 10.5705 k = 0.4146 0.5000 0.4146 ( 6270 PWs) bands (ev): -48.5912 -48.5912 -26.2704 -26.2704 -24.2040 -24.2040 -24.2038 -24.2038 -6.4643 -6.4630 -6.3681 -6.3613 -6.3307 -6.3267 -6.3110 -6.3079 1.1085 1.1091 1.1472 1.1502 1.1674 1.1727 1.9097 1.9107 2.3185 2.3244 2.3272 2.3309 2.5330 2.5362 2.5552 2.5572 2.6057 2.6061 2.9496 2.9609 3.0006 3.0193 3.0244 3.0306 3.9404 3.9411 4.0732 4.1356 4.1385 4.1620 4.1902 4.2024 4.2526 4.2712 4.2775 4.2991 4.3827 4.4231 4.4251 4.4569 4.5112 4.5158 4.6199 4.6726 4.6733 4.6929 4.7050 4.7129 6.1516 6.1540 6.1845 6.1856 6.2306 6.2325 8.3862 8.3982 8.4192 8.4314 9.1824 9.2036 9.2613 9.2714 9.3016 9.3167 10.4776 10.4793 10.5824 10.5846 k = 0.4024 0.5000 0.4024 ( 6262 PWs) bands (ev): -48.5911 -48.5911 -26.2704 -26.2704 -24.2039 -24.2039 -24.2037 -24.2037 -6.4773 -6.4758 -6.3680 -6.3597 -6.3281 -6.3231 -6.3052 -6.3014 1.1062 1.1078 1.1524 1.1544 1.1763 1.1828 1.9216 1.9232 2.3109 2.3173 2.3217 2.3256 2.5259 2.5295 2.5533 2.5559 2.6069 2.6079 2.9377 2.9502 3.0049 3.0258 3.0333 3.0399 3.9389 3.9392 4.0621 4.1260 4.1353 4.1564 4.1900 4.2066 4.2494 4.2739 4.2795 4.3053 4.3780 4.4211 4.4292 4.4613 4.5151 4.5206 4.6250 4.6840 4.6870 4.7123 4.7209 4.7311 6.1226 6.1254 6.1633 6.1644 6.2107 6.2129 8.3773 8.3906 8.4148 8.4283 9.1682 9.1919 9.2682 9.2793 9.3142 9.3308 10.4661 10.4685 10.5997 10.6021 k = 0.3902 0.5000 0.3902 ( 6262 PWs) bands (ev): -48.5911 -48.5911 -26.2703 -26.2703 -24.2039 -24.2039 -24.2036 -24.2036 -6.4909 -6.4893 -6.3685 -6.3588 -6.3247 -6.3187 -6.2992 -6.2948 1.1028 1.1054 1.1586 1.1594 1.1863 1.1940 1.9344 1.9365 2.3028 2.3098 2.3161 2.3201 2.5179 2.5221 2.5511 2.5544 2.6089 2.6105 2.9246 2.9383 3.0101 3.0331 3.0432 3.0500 3.9358 3.9362 4.0527 4.1166 4.1321 4.1505 4.1899 4.2108 4.2462 4.2770 4.2814 4.3109 4.3740 4.4194 4.4345 4.4660 4.5195 4.5260 4.6317 4.6951 4.7016 4.7329 4.7372 4.7495 6.0918 6.0949 6.1400 6.1410 6.1891 6.1915 8.3694 8.3840 8.4100 8.4247 9.1514 9.1773 9.2736 9.2858 9.3244 9.3426 10.4559 10.4590 10.6208 10.6233 k = 0.3780 0.5000 0.3780 ( 6282 PWs) bands (ev): -48.5913 -48.5913 -26.2703 -26.2703 -24.2039 -24.2039 -24.2035 -24.2035 -6.5050 -6.5034 -6.3694 -6.3586 -6.3205 -6.3138 -6.2929 -6.2880 1.0982 1.1018 1.1650 1.1653 1.1975 1.2061 1.9478 1.9506 2.2946 2.3020 2.3104 2.3144 2.5092 2.5139 2.5489 2.5530 2.6117 2.6142 2.9104 2.9254 3.0163 3.0413 3.0539 3.0607 3.9305 3.9323 4.0453 4.1078 4.1288 4.1445 4.1898 4.2146 4.2431 4.2800 4.2829 4.3157 4.3710 4.4182 4.4407 4.4712 4.5242 4.5318 4.6400 4.7066 4.7159 4.7532 4.7536 4.7687 6.0598 6.0631 6.1151 6.1159 6.1659 6.1682 8.3628 8.3786 8.4048 8.4205 9.1319 9.1598 9.2771 9.2902 9.3317 9.3514 10.4476 10.4514 10.6461 10.6487 k = 0.3659 0.5000 0.3659 ( 6294 PWs) bands (ev): -48.5913 -48.5913 -26.2703 -26.2703 -24.2038 -24.2038 -24.2034 -24.2034 -6.5196 -6.5179 -6.3708 -6.3592 -6.3156 -6.3082 -6.2863 -6.2811 1.0926 1.0970 1.1712 1.1723 1.2097 1.2190 1.9615 1.9652 2.2862 2.2941 2.3049 2.3089 2.4997 2.5051 2.5469 2.5519 2.6151 2.6185 2.8954 2.9114 3.0236 3.0504 3.0653 3.0721 3.9233 3.9269 4.0400 4.1002 4.1256 4.1387 4.1894 4.2181 4.2406 4.2829 4.2843 4.3196 4.3695 4.4178 4.4479 4.4769 4.5291 4.5376 4.6501 4.7185 4.7294 4.7705 4.7711 4.7901 6.0272 6.0306 6.0890 6.0894 6.1411 6.1431 8.3575 8.3745 8.3993 8.4157 9.1100 9.1393 9.2782 9.2920 9.3359 9.3570 10.4415 10.4461 10.6759 10.6786 k = 0.3537 0.5000 0.3537 ( 6294 PWs) bands (ev): -48.5913 -48.5913 -26.2702 -26.2702 -24.2038 -24.2038 -24.2033 -24.2033 -6.5345 -6.5328 -6.3727 -6.3605 -6.3099 -6.3020 -6.2795 -6.2739 1.0859 1.0912 1.1777 1.1795 1.2228 1.2326 1.9753 1.9798 2.2780 2.2863 2.2996 2.3035 2.4898 2.4959 2.5457 2.5516 2.6192 2.6236 2.8796 2.8967 3.0321 3.0604 3.0775 3.0841 3.9144 3.9201 4.0366 4.0939 4.1226 4.1334 4.1885 4.2211 4.2387 4.2853 4.2854 4.3223 4.3701 4.4184 4.4559 4.4832 4.5339 4.5433 4.6617 4.7307 4.7416 4.7859 4.7879 4.8142 5.9946 5.9980 6.0619 6.0621 6.1149 6.1163 8.3537 8.3718 8.3935 8.4105 9.0856 9.1159 9.2762 9.2908 9.3370 9.3593 10.4380 10.4432 10.7104 10.7132 k = 0.3415 0.5000 0.3415 ( 6302 PWs) bands (ev): -48.5914 -48.5914 -26.2701 -26.2701 -24.2038 -24.2038 -24.2032 -24.2032 -6.5498 -6.5481 -6.3750 -6.3624 -6.3035 -6.2954 -6.2725 -6.2666 1.0782 1.0842 1.1843 1.1867 1.2365 1.2466 1.9888 1.9942 2.2699 2.2787 2.2947 2.2984 2.4795 2.4863 2.5456 2.5523 2.6237 2.6291 2.8632 2.8813 3.0417 3.0713 3.0903 3.0966 3.9042 3.9119 4.0346 4.0887 4.1196 4.1287 4.1868 4.2236 4.2379 4.2862 4.2872 4.3234 4.3734 4.4201 4.4646 4.4899 4.5386 4.5487 4.6746 4.7432 4.7520 4.7978 4.8060 4.8398 5.9624 5.9656 6.0337 6.0349 6.0874 6.0878 8.3515 8.3706 8.3873 8.4046 9.0592 9.0899 9.2710 9.2861 9.3349 9.3584 10.4371 10.4428 10.7498 10.7526 k = 0.3293 0.5000 0.3293 ( 6290 PWs) bands (ev): -48.5913 -48.5913 -26.2701 -26.2701 -24.2037 -24.2037 -24.2030 -24.2030 -6.5654 -6.5637 -6.3778 -6.3649 -6.2966 -6.2882 -6.2652 -6.2591 1.0694 1.0760 1.1911 1.1938 1.2507 1.2610 2.0018 2.0082 2.2621 2.2715 2.2902 2.2937 2.4690 2.4765 2.5467 2.5544 2.6286 2.6350 2.8464 2.8654 3.0524 3.0832 3.1037 3.1095 3.8932 3.9025 4.0337 4.0845 4.1166 4.1248 4.1843 4.2254 4.2382 4.2868 4.2886 4.3229 4.3794 4.4230 4.4738 4.4972 4.5430 4.5540 4.6882 4.7559 4.7608 4.8074 4.8248 4.8664 5.9312 5.9338 6.0051 6.0076 6.0577 6.0591 8.3509 8.3708 8.3809 8.3983 9.0311 9.0617 9.2623 9.2779 9.3299 9.3544 10.4389 10.4448 10.7939 10.7967 k = 0.3171 0.5000 0.3171 ( 6292 PWs) bands (ev): -48.5913 -48.5913 -26.2700 -26.2700 -24.2037 -24.2037 -24.2029 -24.2029 -6.5811 -6.5795 -6.3809 -6.3679 -6.2893 -6.2806 -6.2577 -6.2515 1.0596 1.0668 1.1977 1.2007 1.2652 1.2754 2.0141 2.0214 2.2548 2.2647 2.2862 2.2896 2.4584 2.4666 2.5494 2.5580 2.6338 2.6413 2.8292 2.8490 3.0642 3.0959 3.1176 3.1229 3.8817 3.8922 4.0333 4.0809 4.1137 4.1220 4.1809 4.2266 4.2396 4.2870 4.2895 4.3212 4.3875 4.4271 4.4832 4.5051 4.5469 4.5590 4.7019 4.7682 4.7686 4.8147 4.8441 4.8936 5.9010 5.9028 5.9762 5.9809 6.0264 6.0304 8.3516 8.3719 8.3742 8.3918 9.0018 9.0316 9.2502 9.2660 9.3221 9.3476 10.4430 10.4491 10.8426 10.8455 k = 0.3049 0.5000 0.3049 ( 6288 PWs) bands (ev): -48.5913 -48.5913 -26.2699 -26.2699 -24.2036 -24.2036 -24.2028 -24.2028 -6.5970 -6.5954 -6.3845 -6.3714 -6.2816 -6.2727 -6.2499 -6.2437 1.0488 1.0564 1.2041 1.2072 1.2797 1.2897 2.0255 2.0336 2.2481 2.2585 2.2828 2.2860 2.4478 2.4567 2.5537 2.5632 2.6394 2.6479 2.8118 2.8325 3.0772 3.1096 3.1320 3.1367 3.8701 3.8813 4.0332 4.0776 4.1108 4.1205 4.1766 4.2271 4.2421 4.2869 4.2899 4.3189 4.3971 4.4323 4.4925 4.5135 4.5505 4.5641 4.7144 4.7752 4.7810 4.8200 4.8638 4.9211 5.8719 5.8725 5.9475 5.9550 5.9940 6.0017 8.3531 8.3678 8.3719 8.3868 8.9720 9.0004 9.2346 9.2505 9.3117 9.3382 10.4492 10.4553 10.8956 10.8985 k = 0.2927 0.5000 0.2927 ( 6288 PWs) bands (ev): -48.5913 -48.5913 -26.2699 -26.2699 -24.2036 -24.2036 -24.2026 -24.2026 -6.6129 -6.6114 -6.3883 -6.3753 -6.2735 -6.2645 -6.2420 -6.2358 1.0370 1.0449 1.2103 1.2134 1.2942 1.3038 2.0358 2.0448 2.2420 2.2530 2.2799 2.2830 2.4373 2.4469 2.5598 2.5701 2.6452 2.6547 2.7945 2.8159 3.0914 3.1241 3.1469 3.1509 3.8586 3.8700 4.0331 4.0742 4.1078 4.1203 4.1717 4.2269 4.2455 4.2867 4.2900 4.3164 4.4078 4.4383 4.5013 4.5224 4.5536 4.5696 4.7237 4.7837 4.7922 4.8242 4.8838 4.9487 5.8423 5.8436 5.9192 5.9304 5.9610 5.9740 8.3521 8.3648 8.3666 8.3875 8.9422 8.9685 9.2157 9.2318 9.2992 9.3266 10.4571 10.4630 10.9524 10.9555 k = 0.2805 0.5000 0.2805 ( 6298 PWs) bands (ev): -48.5914 -48.5914 -26.2698 -26.2698 -24.2035 -24.2035 -24.2025 -24.2025 -6.6288 -6.6273 -6.3924 -6.3795 -6.2652 -6.2560 -6.2339 -6.2278 1.0243 1.0324 1.2159 1.2190 1.3084 1.3175 2.0451 2.0547 2.2367 2.2483 2.2776 2.2806 2.4270 2.4373 2.5675 2.5786 2.6512 2.6617 2.7773 2.7995 3.1066 3.1395 3.1622 3.1654 3.8474 3.8585 4.0328 4.0707 4.1048 4.1213 4.1664 4.2259 4.2496 4.2862 4.2900 4.3140 4.4191 4.4450 4.5091 4.5318 4.5563 4.5756 4.7280 4.7956 4.8000 4.8294 4.9040 4.9762 5.8115 5.8157 5.8919 5.9075 5.9280 5.9477 8.3452 8.3567 8.3682 8.3930 8.9133 8.9367 9.1939 9.2099 9.2848 9.3130 10.4663 10.4718 11.0126 11.0158 k = 0.2683 0.5000 0.2683 ( 6294 PWs) bands (ev): -48.5914 -48.5914 -26.2697 -26.2697 -24.2035 -24.2035 -24.2023 -24.2023 -6.6446 -6.6432 -6.3967 -6.3840 -6.2567 -6.2474 -6.2257 -6.2198 1.0106 1.0189 1.2211 1.2240 1.3222 1.3307 2.0533 2.0634 2.2322 2.2444 2.2759 2.2789 2.4170 2.4279 2.5767 2.5886 2.6576 2.6689 2.7605 2.7833 3.1230 3.1557 3.1780 3.1802 3.8367 3.8471 4.0322 4.0671 4.1018 4.1232 4.1609 4.2241 4.2543 4.2856 4.2900 4.3118 4.4309 4.4521 4.5153 4.5416 4.5587 4.5825 4.7269 4.8019 4.8114 4.8385 4.9242 5.0035 5.7793 5.7874 5.8664 5.8863 5.8963 5.9237 8.3353 8.3442 8.3750 8.4007 8.8859 8.9057 9.1693 9.1854 9.2688 9.2978 10.4762 10.4812 11.0755 11.0790 k = 0.2561 0.5000 0.2561 ( 6290 PWs) bands (ev): -48.5913 -48.5913 -26.2697 -26.2697 -24.2034 -24.2034 -24.2022 -24.2022 -6.6602 -6.6590 -6.4011 -6.3888 -6.2480 -6.2386 -6.2175 -6.2117 0.9961 1.0045 1.2257 1.2284 1.3353 1.3432 2.0605 2.0709 2.2288 2.2413 2.2748 2.2778 2.4074 2.4189 2.5871 2.5997 2.6641 2.6761 2.7441 2.7677 3.1405 3.1728 3.1942 3.1954 3.8264 3.8359 4.0312 4.0634 4.0987 4.1259 4.1553 4.2214 4.2593 4.2848 4.2900 4.3100 4.4428 4.4593 4.5198 4.5513 4.5615 4.5902 4.7214 4.7984 4.8303 4.8510 4.9444 5.0304 5.7449 5.7578 5.8432 5.8620 5.8719 5.9024 8.3235 8.3294 8.3835 8.4102 8.8606 8.8764 9.1425 9.1584 9.2513 9.2812 10.4865 10.4908 11.1405 11.1443 k = 0.2439 0.5000 0.2439 ( 6312 PWs) bands (ev): -48.5915 -48.5915 -26.2696 -26.2696 -24.2034 -24.2034 -24.2020 -24.2020 -6.6757 -6.6745 -6.4058 -6.3937 -6.2393 -6.2297 -6.2091 -6.2036 0.9809 0.9893 1.2296 1.2321 1.3478 1.3550 2.0667 2.0774 2.2263 2.2392 2.2740 2.2773 2.3981 2.4101 2.5984 2.6117 2.6708 2.6834 2.7285 2.7528 3.1590 3.1905 3.2109 3.2109 3.8167 3.8249 4.0296 4.0598 4.0957 4.1291 4.1498 4.2180 4.2646 4.2838 4.2903 4.3086 4.4545 4.4660 4.5225 4.5585 4.5672 4.5984 4.7128 4.7912 4.8512 4.8653 4.9643 5.0567 5.7080 5.7259 5.8224 5.8342 5.8563 5.8841 8.3098 8.3125 8.3936 8.4212 8.8381 8.8492 9.1137 9.1294 9.2328 9.2634 10.4965 10.5000 11.2069 11.2112 k = 0.2317 0.5000 0.2317 ( 6312 PWs) bands (ev): -48.5915 -48.5915 -26.2695 -26.2695 -24.2033 -24.2033 -24.2019 -24.2019 -6.6908 -6.6897 -6.4105 -6.3988 -6.2305 -6.2209 -6.2008 -6.1956 0.9651 0.9734 1.2328 1.2351 1.3594 1.3659 2.0721 2.0829 2.2248 2.2380 2.2738 2.2773 2.3893 2.4019 2.6100 2.6241 2.6776 2.6908 2.7140 2.7390 3.1784 3.2090 3.2268 3.2280 3.8077 3.8144 4.0275 4.0563 4.0930 4.1325 4.1445 4.2139 4.2702 4.2827 4.2908 4.3078 4.4659 4.4722 4.5239 4.5618 4.5775 4.6065 4.7022 4.7815 4.8737 4.8807 4.9840 5.0823 5.6689 5.6915 5.8041 5.8086 5.8443 5.8690 8.2934 8.2943 8.4051 8.4335 8.8187 8.8249 9.0834 9.0989 9.2134 9.2446 10.5059 10.5085 11.2739 11.2787 k = 0.2195 0.5000 0.2195 ( 6312 PWs) bands (ev): -48.5915 -48.5915 -26.2695 -26.2695 -24.2033 -24.2033 -24.2017 -24.2017 -6.7056 -6.7046 -6.4152 -6.4039 -6.2217 -6.2121 -6.1925 -6.1876 0.9488 0.9570 1.2352 1.2373 1.3702 1.3758 2.0767 2.0876 2.2244 2.2378 2.2740 2.2778 2.3810 2.3941 2.6214 2.6364 2.6843 2.6980 2.7011 2.7267 3.1987 3.2280 3.2430 3.2455 3.7991 3.8043 4.0249 4.0531 4.0906 4.1360 4.1397 4.2092 4.2757 4.2814 4.2917 4.3074 4.4761 4.4772 4.5247 4.5643 4.5892 4.6136 4.6907 4.7698 4.8969 4.8973 5.0034 5.1068 5.6278 5.6546 5.7862 5.7880 5.8353 5.8570 8.2721 8.2766 8.4177 8.4469 8.8026 8.8040 9.0520 9.0671 9.1932 9.2252 10.5141 10.5158 11.3406 11.3462 k = 0.2073 0.5000 0.2073 ( 6304 PWs) bands (ev): -48.5914 -48.5914 -26.2694 -26.2694 -24.2032 -24.2032 -24.2016 -24.2016 -6.7200 -6.7191 -6.4200 -6.4091 -6.2130 -6.2034 -6.1842 -6.1798 0.9322 0.9402 1.2370 1.2388 1.3800 1.3848 2.0806 2.0915 2.2250 2.2384 2.2744 2.2787 2.3733 2.3868 2.6320 2.6474 2.6872 2.6946 2.7043 2.7172 3.2197 3.2475 3.2598 3.2635 3.7912 3.7947 4.0216 4.0501 4.0888 4.1354 4.1394 4.2042 4.2799 4.2812 4.2929 4.3075 4.4808 4.4839 4.5265 4.5673 4.6016 4.6182 4.6801 4.7566 4.9136 4.9213 5.0224 5.1301 5.5853 5.6157 5.7670 5.7743 5.8288 5.8478 8.2491 8.2569 8.4315 8.4616 8.7865 8.7899 9.0198 9.0346 9.1725 9.2050 10.5207 10.5214 11.4061 11.4127 k = 0.1951 0.5000 0.1951 ( 6304 PWs) bands (ev): -48.5914 -48.5914 -26.2693 -26.2693 -24.2032 -24.2032 -24.2014 -24.2014 -6.7339 -6.7331 -6.4247 -6.4142 -6.2044 -6.1948 -6.1761 -6.1721 0.9153 0.9231 1.2381 1.2396 1.3887 1.3929 2.0840 2.0948 2.2266 2.2398 2.2751 2.2798 2.3662 2.3800 2.6407 2.6541 2.6831 2.7005 2.7048 2.7162 3.2411 3.2670 3.2771 3.2819 3.7836 3.7855 4.0179 4.0473 4.0876 4.1315 4.1427 4.1991 4.2781 4.2865 4.2944 4.3080 4.4827 4.4873 4.5313 4.5710 4.6143 4.6173 4.6734 4.7422 4.9306 4.9454 5.0410 5.1517 5.5419 5.5753 5.7510 5.7629 5.8245 5.8411 8.2246 8.2354 8.4464 8.4772 8.7727 8.7804 8.9875 9.0017 9.1513 9.1844 10.5251 10.5254 11.4695 11.4772 k = 0.1829 0.5000 0.1829 ( 6308 PWs) bands (ev): -48.5915 -48.5915 -26.2692 -26.2692 -24.2031 -24.2031 -24.2013 -24.2013 -6.7473 -6.7465 -6.4293 -6.4194 -6.1961 -6.1865 -6.1682 -6.1645 0.8985 0.9059 1.2385 1.2398 1.3965 1.3999 2.0868 2.0975 2.2290 2.2420 2.2760 2.2811 2.3596 2.3738 2.6460 2.6523 2.6867 2.7022 2.7079 2.7222 3.2629 3.2862 3.2953 3.3007 3.7764 3.7767 4.0140 4.0447 4.0872 4.1282 4.1455 4.1941 4.2760 4.2915 4.2961 4.3088 4.4829 4.4858 4.5397 4.5756 4.6092 4.6268 4.6726 4.7272 4.9477 4.9689 5.0591 5.1714 5.4980 5.5341 5.7382 5.7542 5.8220 5.8365 8.1989 8.2122 8.4621 8.4938 8.7622 8.7738 8.9554 8.9689 9.1298 9.1635 10.5266 10.5279 11.5295 11.5385 k = 0.1707 0.5000 0.1707 ( 6300 PWs) bands (ev): -48.5914 -48.5914 -26.2692 -26.2692 -24.2031 -24.2031 -24.2011 -24.2011 -6.7601 -6.7594 -6.4338 -6.4244 -6.1879 -6.1785 -6.1604 -6.1572 0.8817 0.8888 1.2383 1.2393 1.4032 1.4060 2.0892 2.0997 2.2322 2.2448 2.2769 2.2826 2.3538 2.3681 2.6459 2.6473 2.6952 2.7032 2.7156 2.7292 3.2847 3.3047 3.3145 3.3200 3.7683 3.7695 4.0100 4.0425 4.0876 4.1254 4.1479 4.1895 4.2736 4.2961 4.2980 4.3100 4.4807 4.4816 4.5507 4.5812 4.5957 4.6388 4.6764 4.7122 4.9649 4.9914 5.0765 5.1887 5.4540 5.4925 5.7287 5.7484 5.8210 5.8335 8.1727 8.1879 8.4788 8.5112 8.7548 8.7695 8.9240 8.9369 9.1081 9.1422 10.5257 10.5279 11.5850 11.5953 k = 0.1585 0.5000 0.1585 ( 6300 PWs) bands (ev): -48.5914 -48.5914 -26.2691 -26.2691 -24.2030 -24.2030 -24.2010 -24.2010 -6.7723 -6.7716 -6.4382 -6.4293 -6.1801 -6.1709 -6.1530 -6.1502 0.8653 0.8720 1.2376 1.2384 1.4090 1.4112 2.0912 2.1015 2.2359 2.2481 2.2779 2.2840 2.3486 2.3630 2.6390 2.6454 2.7046 2.7077 2.7235 2.7361 3.3063 3.3226 3.3345 3.3396 3.7602 3.7626 4.0065 4.0406 4.0888 4.1233 4.1497 4.1856 4.2707 4.3000 4.3002 4.3114 4.4730 4.4789 4.5624 4.5800 4.5874 4.6489 4.6824 4.6990 4.9819 5.0123 5.0931 5.2032 5.4103 5.4510 5.7227 5.7456 5.8211 5.8318 8.1463 8.1628 8.4961 8.5292 8.7495 8.7667 8.8942 8.9062 9.0862 9.1206 10.5224 10.5253 11.6342 11.6460 k = 0.1463 0.5000 0.1463 ( 6308 PWs) bands (ev): -48.5915 -48.5915 -26.2691 -26.2691 -24.2030 -24.2030 -24.2009 -24.2009 -6.7837 -6.7831 -6.4423 -6.4340 -6.1726 -6.1636 -6.1458 -6.1434 0.8493 0.8557 1.2365 1.2371 1.4139 1.4156 2.0928 2.1027 2.2401 2.2518 2.2789 2.2853 2.3441 2.3584 2.6329 2.6419 2.7136 2.7140 2.7315 2.7429 3.3275 3.3400 3.3547 3.3595 3.7523 3.7557 4.0036 4.0389 4.0905 4.1220 4.1509 4.1826 4.2674 4.3022 4.3037 4.3127 4.4638 4.4752 4.5587 4.5790 4.5937 4.6530 4.6893 4.6918 4.9985 5.0314 5.1087 5.2147 5.3675 5.4099 5.7202 5.7460 5.8222 5.8311 8.1203 8.1374 8.5139 8.5478 8.7455 8.7642 8.8670 8.8782 9.0642 9.0989 10.5166 10.5201 11.6751 11.6880 k = 0.1341 0.5000 0.1341 ( 6312 PWs) bands (ev): -48.5915 -48.5915 -26.2690 -26.2690 -24.2029 -24.2029 -24.2008 -24.2008 -6.7944 -6.7939 -6.4462 -6.4385 -6.1654 -6.1569 -6.1390 -6.1370 0.8340 0.8399 1.2350 1.2355 1.4180 1.4192 2.0940 2.1035 2.2446 2.2557 2.2798 2.2863 2.3403 2.3544 2.6277 2.6381 2.7210 2.7219 2.7393 2.7494 3.3480 3.3572 3.3748 3.3794 3.7446 3.7487 4.0018 4.0376 4.0928 4.1214 4.1515 4.1807 4.2635 4.3045 4.3067 4.3138 4.4534 4.4707 4.5408 4.5923 4.5987 4.6480 4.6952 4.6966 5.0145 5.0484 5.1226 5.2227 5.3259 5.3697 5.7212 5.7497 5.8239 5.8312 8.0950 8.1123 8.5322 8.5668 8.7409 8.7602 8.8439 8.8545 9.0422 9.0771 10.5084 10.5125 11.7042 11.7159 k = 0.1220 0.5000 0.1220 ( 6318 PWs) bands (ev): -48.5916 -48.5916 -26.2690 -26.2690 -24.2029 -24.2029 -24.2007 -24.2007 -6.8044 -6.8039 -6.4498 -6.4428 -6.1587 -6.1506 -6.1327 -6.1310 0.8195 0.8249 1.2333 1.2336 1.4213 1.4221 2.0949 2.1039 2.2492 2.2597 2.2806 2.2872 2.3372 2.3509 2.6238 2.6346 2.7279 2.7293 2.7468 2.7555 3.3677 3.3741 3.3944 3.3992 3.7371 3.7414 4.0012 4.0366 4.0955 4.1220 4.1517 4.1798 4.2591 4.3069 4.3093 4.3142 4.4426 4.4657 4.5222 4.5990 4.6068 4.6417 4.7039 4.7047 5.0296 5.0633 5.1347 5.2267 5.2867 5.3307 5.7257 5.7563 5.8262 5.8317 8.0708 8.0878 8.5506 8.5859 8.7339 8.7523 8.8269 8.8376 9.0201 9.0552 10.4983 10.5026 11.7155 11.7209 k = 0.1098 0.5000 0.1098 ( 6318 PWs) bands (ev): -48.5916 -48.5916 -26.2689 -26.2689 -24.2029 -24.2029 -24.2006 -24.2006 -6.8135 -6.8130 -6.4532 -6.4468 -6.1524 -6.1448 -6.1267 -6.1254 0.8058 0.8107 1.2313 1.2316 1.4239 1.4244 2.0955 2.1039 2.2538 2.2636 2.2814 2.2877 2.3349 2.3478 2.6209 2.6317 2.7344 2.7360 2.7538 2.7612 3.3865 3.3906 3.4134 3.4185 3.7296 3.7338 4.0021 4.0358 4.0982 4.1239 4.1517 4.1796 4.2541 4.3094 4.3113 4.3136 4.4317 4.4604 4.5039 4.5907 4.6217 4.6422 4.7109 4.7160 5.0438 5.0760 5.1447 5.2239 5.2532 5.2934 5.7333 5.7654 5.8289 5.8326 8.0481 8.0644 8.5688 8.6046 8.7230 8.7393 8.8175 8.8289 8.9982 9.0332 10.4865 10.4910 11.7036 11.7064 k = 0.0976 0.5000 0.0976 ( 6324 PWs) bands (ev): -48.5916 -48.5916 -26.2689 -26.2689 -24.2028 -24.2028 -24.2005 -24.2005 -6.8217 -6.8213 -6.4562 -6.4505 -6.1466 -6.1397 -6.1213 -6.1202 0.7933 0.7977 1.2293 1.2295 1.4259 1.4262 2.0959 2.1036 2.2582 2.2673 2.2822 2.2880 2.3332 2.3452 2.6191 2.6295 2.7402 2.7419 2.7601 2.7664 3.4043 3.4066 3.4314 3.4370 3.7222 3.7259 4.0044 4.0354 4.1011 4.1273 4.1518 4.1800 4.2485 4.3106 4.3128 4.3128 4.4214 4.4549 4.4865 4.5759 4.6369 4.6485 4.7175 4.7275 5.0566 5.0866 5.1525 5.2031 5.2375 5.2582 5.7434 5.7763 5.8318 5.8337 8.0271 8.0423 8.5861 8.6220 8.7097 8.7238 8.8148 8.8266 8.9764 9.0112 10.4736 10.4780 11.6775 11.6849 k = 0.0854 0.5000 0.0854 ( 6324 PWs) bands (ev): -48.5916 -48.5916 -26.2688 -26.2688 -24.2028 -24.2028 -24.2004 -24.2004 -6.8291 -6.8288 -6.4589 -6.4538 -6.1414 -6.1351 -6.1164 -6.1155 0.7819 0.7858 1.2274 1.2274 1.4275 1.4276 2.0960 2.1030 2.2624 2.2707 2.2830 2.2882 2.3320 2.3429 2.6181 2.6278 2.7455 2.7472 2.7658 2.7710 3.4208 3.4218 3.4483 3.4544 3.7148 3.7177 4.0079 4.0352 4.1040 4.1323 4.1522 4.1808 4.2426 4.3061 4.3141 4.3152 4.4127 4.4495 4.4706 4.5585 4.6522 4.6574 4.7236 4.7384 5.0678 5.0952 5.1579 5.1735 5.2257 5.2317 5.7555 5.7883 5.8348 5.8349 8.0082 8.0220 8.6012 8.6356 8.6972 8.7108 8.8166 8.8280 8.9548 8.9892 10.4602 10.4644 11.6509 11.6599 k = 0.0732 0.5000 0.0732 ( 6324 PWs) bands (ev): -48.5916 -48.5916 -26.2688 -26.2688 -24.2028 -24.2028 -24.2003 -24.2003 -6.8355 -6.8352 -6.4612 -6.4568 -6.1367 -6.1312 -6.1121 -6.1114 0.7719 0.7752 1.2255 1.2255 1.4286 1.4287 2.0961 2.1022 2.2662 2.2736 2.2838 2.2882 2.3314 2.3409 2.6179 2.6266 2.7501 2.7518 2.7707 2.7750 3.4359 3.4360 3.4639 3.4703 3.7075 3.7096 4.0124 4.0353 4.1074 4.1388 4.1528 4.1816 4.2363 4.2986 4.3151 4.3178 4.4061 4.4441 4.4566 4.5399 4.6675 4.6675 4.7288 4.7483 5.0764 5.1015 5.1465 5.1602 5.1977 5.2261 5.7685 5.8004 5.8362 5.8380 7.9915 8.0037 8.6113 8.6405 8.6901 8.7069 8.8209 8.8311 8.9336 8.9673 10.4469 10.4507 11.6267 11.6358 k = 0.0610 0.5000 0.0610 ( 6332 PWs) bands (ev): -48.5916 -48.5916 -26.2688 -26.2688 -24.2028 -24.2028 -24.2003 -24.2003 -6.8410 -6.8408 -6.4631 -6.4595 -6.1327 -6.1279 -6.1084 -6.1078 0.7632 0.7660 1.2237 1.2237 1.4294 1.4295 2.0961 2.1013 2.2694 2.2759 2.2848 2.2883 2.3312 2.3392 2.6182 2.6258 2.7541 2.7557 2.7748 2.7783 3.4490 3.4494 3.4779 3.4844 3.7005 3.7016 4.0174 4.0354 4.1116 4.1464 4.1534 4.1825 4.2298 4.2880 4.3159 4.3202 4.4023 4.4389 4.4452 4.5210 4.6778 4.6825 4.7330 4.7566 5.0803 5.1047 5.1265 5.1553 5.1798 5.2197 5.7816 5.8114 5.8377 5.8412 7.9772 7.9876 8.6137 8.6348 8.6922 8.7149 8.8263 8.8345 8.9130 8.9455 10.4343 10.4376 11.6060 11.6144 k = 0.0488 0.5000 0.0488 ( 6336 PWs) bands (ev): -48.5917 -48.5917 -26.2687 -26.2687 -24.2028 -24.2028 -24.2002 -24.2002 -6.8455 -6.8453 -6.4647 -6.4617 -6.1292 -6.1254 -6.1053 -6.1049 0.7561 0.7583 1.2222 1.2223 1.4299 1.4301 2.0961 2.1003 2.2720 2.2774 2.2858 2.2885 2.3313 2.3378 2.6189 2.6252 2.7573 2.7588 2.7782 2.7810 3.4603 3.4610 3.4903 3.4964 3.6939 3.6941 4.0223 4.0357 4.1167 4.1538 4.1552 4.1834 4.2236 4.2749 4.3167 4.3219 4.4014 4.4340 4.4368 4.5024 4.6880 4.6968 4.7363 4.7627 5.0760 5.1029 5.1181 5.1423 5.1762 5.2128 5.7938 5.8202 5.8399 5.8444 7.9654 7.9740 8.6099 8.6243 8.7028 8.7294 8.8319 8.8375 8.8935 8.9240 10.4230 10.4258 11.5891 11.5962 k = 0.0366 0.5000 0.0366 ( 6348 PWs) bands (ev): -48.5917 -48.5917 -26.2687 -26.2687 -24.2027 -24.2027 -24.2002 -24.2002 -6.8490 -6.8489 -6.4658 -6.4636 -6.1264 -6.1234 -6.1029 -6.1026 0.7505 0.7522 1.2210 1.2210 1.4303 1.4304 2.0961 2.0993 2.2740 2.2782 2.2868 2.2888 2.3316 2.3365 2.6198 2.6247 2.7599 2.7611 2.7808 2.7829 3.4696 3.4703 3.5006 3.5060 3.6877 3.6879 4.0268 4.0359 4.1229 4.1535 4.1648 4.1843 4.2179 4.2602 4.3175 4.3227 4.4032 4.4293 4.4317 4.4845 4.6977 4.7094 4.7391 4.7661 5.0667 5.0935 5.1186 5.1340 5.1771 5.2057 5.8044 5.8255 5.8434 5.8474 7.9564 7.9629 8.6039 8.6137 8.7179 8.7452 8.8374 8.8395 8.8761 8.9030 10.4138 10.4159 11.5762 11.5818 k = 0.0244 0.5000 0.0244 ( 6346 PWs) bands (ev): -48.5917 -48.5917 -26.2687 -26.2687 -24.2027 -24.2027 -24.2001 -24.2001 -6.8515 -6.8514 -6.4665 -6.4650 -6.1242 -6.1222 -6.1011 -6.1009 0.7466 0.7477 1.2201 1.2201 1.4306 1.4307 2.0963 2.0985 2.2756 2.2784 2.2878 2.2891 2.3321 2.3353 2.6208 2.6241 2.7619 2.7628 2.7828 2.7842 3.4767 3.4772 3.5088 3.5128 3.6827 3.6832 4.0304 4.0360 4.1298 4.1519 4.1747 4.1855 4.2136 4.2450 4.3185 4.3226 4.4073 4.4250 4.4303 4.4678 4.7064 4.7182 4.7429 4.7661 5.0595 5.0803 5.1218 5.1310 5.1795 5.1988 5.8130 5.8271 5.8476 5.8500 7.9502 7.9546 8.5988 8.6049 8.7343 8.7588 8.8402 8.8422 8.8626 8.8829 10.4069 10.4083 11.5673 11.5711 k = 0.0122 0.5000 0.0122 ( 6350 PWs) bands (ev): -48.5917 -48.5917 -26.2687 -26.2687 -24.2027 -24.2027 -24.2001 -24.2001 -6.8530 -6.8530 -6.4668 -6.4660 -6.1227 -6.1217 -6.1000 -6.0999 0.7443 0.7449 1.2195 1.2195 1.4307 1.4308 2.0966 2.0977 2.2768 2.2782 2.2886 2.2892 2.3327 2.3343 2.6218 2.6235 2.7632 2.7636 2.7842 2.7849 3.4810 3.4813 3.5144 3.5166 3.6796 3.6799 4.0330 4.0356 4.1369 4.1485 4.1831 4.1868 4.2128 4.2304 4.3195 4.3219 4.4123 4.4210 4.4332 4.4530 4.7136 4.7211 4.7494 4.7629 5.0571 5.0684 5.1250 5.1294 5.1828 5.1926 5.8195 5.8264 5.8507 5.8518 7.9469 7.9491 8.5959 8.5989 8.7500 8.7655 8.8420 8.8463 8.8545 8.8645 10.4028 10.4035 11.5623 11.5643 k = 0.0000 0.5000-0.0000 ( 6382 PWs) bands (ev): -48.5919 -48.5919 -26.2687 -26.2687 -24.2027 -24.2027 -24.2001 -24.2001 -6.8535 -6.8535 -6.4666 -6.4666 -6.1218 -6.1218 -6.0996 -6.0996 0.7437 0.7437 1.2193 1.2193 1.4308 1.4308 2.0970 2.0970 2.2776 2.2776 2.2891 2.2891 2.3334 2.3334 2.6227 2.6227 2.7637 2.7637 2.7848 2.7848 3.4826 3.4826 3.5171 3.5171 3.6786 3.6786 4.0346 4.0346 4.1433 4.1433 4.1869 4.1869 4.2185 4.2185 4.3206 4.3206 4.4168 4.4168 4.4410 4.4410 4.7188 4.7188 4.7568 4.7568 5.0601 5.0601 5.1275 5.1275 5.1872 5.1872 5.8238 5.8238 5.8522 5.8522 7.9465 7.9465 8.5958 8.5958 8.7618 8.7618 8.8499 8.8499 8.8501 8.8501 10.4016 10.4016 11.5613 11.5613 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -48.5912 -48.5912 -26.2696 -26.2696 -24.2040 -24.2040 -24.2014 -24.2014 -6.5908 -6.5908 -6.3764 -6.3764 -6.3439 -6.3439 -6.2180 -6.2180 1.1354 1.1354 1.2675 1.2675 1.2824 1.2824 2.2068 2.2068 2.3125 2.3125 2.4090 2.4090 2.4098 2.4098 2.4164 2.4164 2.6348 2.6348 2.7376 2.7376 3.0162 3.0162 3.0486 3.0486 3.8086 3.8086 4.0818 4.0818 4.1257 4.1257 4.1731 4.1731 4.2913 4.2913 4.3236 4.3236 4.3382 4.3382 4.6982 4.6982 4.7268 4.7268 4.7773 4.7773 4.8717 4.8717 4.8907 4.8907 5.4862 5.4862 5.4969 5.4969 6.1081 6.1081 8.4992 8.4992 8.5092 8.5092 8.5778 8.5778 9.2368 9.2368 9.2381 9.2381 11.2123 11.2123 11.2168 11.2168 k = 0.5000 0.5000 0.0172 ( 6264 PWs) bands (ev): -48.5912 -48.5912 -26.2696 -26.2696 -24.2040 -24.2040 -24.2014 -24.2014 -6.5905 -6.5905 -6.3763 -6.3763 -6.3439 -6.3439 -6.2182 -6.2182 1.1355 1.1355 1.2670 1.2670 1.2820 1.2820 2.2071 2.2071 2.3118 2.3118 2.4086 2.4086 2.4095 2.4095 2.4137 2.4137 2.6389 2.6389 2.7372 2.7372 3.0162 3.0162 3.0486 3.0486 3.8091 3.8091 4.0821 4.0821 4.1248 4.1248 4.1738 4.1738 4.2910 4.2910 4.3230 4.3230 4.3385 4.3385 4.6962 4.6962 4.7272 4.7272 4.7768 4.7768 4.8698 4.8698 4.8921 4.8921 5.4872 5.4872 5.5004 5.5004 6.1086 6.1086 8.4815 8.4815 8.5190 8.5190 8.5870 8.5870 9.2372 9.2372 9.2389 9.2389 11.2094 11.2094 11.2139 11.2139 k = 0.5000 0.5000 0.0345 ( 6272 PWs) bands (ev): -48.5913 -48.5913 -26.2696 -26.2696 -24.2040 -24.2040 -24.2015 -24.2015 -6.5894 -6.5894 -6.3763 -6.3763 -6.3438 -6.3438 -6.2188 -6.2188 1.1358 1.1358 1.2657 1.2657 1.2807 1.2807 2.2080 2.2080 2.3095 2.3095 2.3995 2.3995 2.4096 2.4096 2.4134 2.4134 2.6501 2.6501 2.7361 2.7361 3.0162 3.0162 3.0486 3.0486 3.8109 3.8109 4.0828 4.0828 4.1223 4.1223 4.1758 4.1758 4.2899 4.2899 4.3214 4.3214 4.3392 4.3392 4.6909 4.6909 4.7279 4.7279 4.7755 4.7755 4.8651 4.8651 4.8952 4.8952 5.4910 5.4910 5.5098 5.5098 6.1101 6.1101 8.4566 8.4566 8.5244 8.5244 8.6103 8.6103 9.2385 9.2385 9.2411 9.2411 11.2008 11.2008 11.2051 11.2051 k = 0.5000 0.5000 0.0517 ( 6264 PWs) bands (ev): -48.5912 -48.5912 -26.2696 -26.2696 -24.2040 -24.2040 -24.2015 -24.2015 -6.5877 -6.5877 -6.3761 -6.3761 -6.3437 -6.3437 -6.2197 -6.2197 1.1364 1.1364 1.2635 1.2635 1.2786 1.2786 2.2095 2.2095 2.3053 2.3053 2.3839 2.3839 2.4107 2.4107 2.4155 2.4155 2.6665 2.6665 2.7344 2.7344 3.0162 3.0162 3.0485 3.0485 3.8138 3.8138 4.0840 4.0840 4.1186 4.1186 4.1787 4.1787 4.2882 4.2882 4.3192 4.3192 4.3400 4.3400 4.6832 4.6832 4.7280 4.7280 4.7732 4.7732 4.8589 4.8589 4.8986 4.8986 5.4990 5.4990 5.5238 5.5238 6.1125 6.1125 8.4313 8.4313 8.5257 8.5257 8.6410 8.6410 9.2408 9.2408 9.2445 9.2445 11.1867 11.1867 11.1908 11.1908 k = 0.5000 0.5000 0.0690 ( 6280 PWs) bands (ev): -48.5913 -48.5913 -26.2697 -26.2697 -24.2040 -24.2040 -24.2016 -24.2016 -6.5853 -6.5853 -6.3759 -6.3759 -6.3436 -6.3436 -6.2209 -6.2209 1.1371 1.1371 1.2604 1.2604 1.2757 1.2757 2.2115 2.2115 2.2983 2.2983 2.3664 2.3664 2.4124 2.4124 2.4185 2.4185 2.6862 2.6862 2.7320 2.7320 3.0162 3.0162 3.0484 3.0484 3.8177 3.8177 4.0855 4.0855 4.1142 4.1142 4.1821 4.1821 4.2855 4.2855 4.3169 4.3169 4.3408 4.3408 4.6737 4.6737 4.7268 4.7268 4.7699 4.7699 4.8517 4.8517 4.9016 4.9016 5.5113 5.5113 5.5418 5.5418 6.1159 6.1159 8.4069 8.4069 8.5251 8.5251 8.6753 8.6753 9.2442 9.2442 9.2490 9.2490 11.1672 11.1672 11.1711 11.1711 k = 0.5000 0.5000 0.0862 ( 6288 PWs) bands (ev): -48.5913 -48.5913 -26.2697 -26.2697 -24.2040 -24.2040 -24.2016 -24.2016 -6.5823 -6.5823 -6.3757 -6.3757 -6.3434 -6.3434 -6.2226 -6.2226 1.1379 1.1379 1.2565 1.2565 1.2720 1.2720 2.2141 2.2141 2.2869 2.2869 2.3501 2.3501 2.4147 2.4147 2.4221 2.4221 2.7076 2.7076 2.7289 2.7289 3.0161 3.0161 3.0481 3.0481 3.8228 3.8228 4.0868 4.0868 4.1097 4.1097 4.1859 4.1859 4.2820 4.2820 4.3147 4.3147 4.3416 4.3416 4.6631 4.6631 4.7243 4.7243 4.7656 4.7656 4.8439 4.8439 4.9039 4.9039 5.5280 5.5280 5.5634 5.5634 6.1202 6.1202 8.3841 8.3841 8.5234 8.5234 8.7117 8.7117 9.2484 9.2484 9.2543 9.2543 11.1429 11.1429 11.1465 11.1465 k = 0.5000 0.5000 0.1034 ( 6300 PWs) bands (ev): -48.5914 -48.5914 -26.2697 -26.2697 -24.2040 -24.2040 -24.2017 -24.2017 -6.5786 -6.5786 -6.3754 -6.3754 -6.3432 -6.3432 -6.2246 -6.2246 1.1387 1.1387 1.2519 1.2519 1.2676 1.2676 2.2172 2.2172 2.2701 2.2701 2.3375 2.3375 2.4178 2.4178 2.4264 2.4264 2.7250 2.7250 2.7300 2.7300 3.0160 3.0160 3.0479 3.0479 3.8289 3.8289 4.0874 4.0874 4.1061 4.1061 4.1898 4.1898 4.2776 4.2776 4.3128 4.3128 4.3422 4.3422 4.6514 4.6514 4.7204 4.7204 4.7600 4.7600 4.8355 4.8355 4.9053 4.9053 5.5489 5.5489 5.5884 5.5884 6.1253 6.1253 8.3631 8.3631 8.5210 8.5210 8.7495 8.7495 9.2535 9.2535 9.2603 9.2603 11.1142 11.1142 11.1175 11.1175 k = 0.5000 0.5000 0.1207 ( 6292 PWs) bands (ev): -48.5913 -48.5913 -26.2698 -26.2698 -24.2040 -24.2040 -24.2018 -24.2018 -6.5743 -6.5743 -6.3751 -6.3751 -6.3430 -6.3430 -6.2270 -6.2270 1.1397 1.1397 1.2466 1.2466 1.2626 1.2626 2.2208 2.2208 2.2484 2.2484 2.3287 2.3287 2.4216 2.4216 2.4314 2.4314 2.7208 2.7208 2.7522 2.7522 3.0158 3.0158 3.0475 3.0475 3.8359 3.8359 4.0858 4.0858 4.1050 4.1050 4.1937 4.1937 4.2725 4.2725 4.3115 4.3115 4.3430 4.3430 4.6390 4.6390 4.7153 4.7153 4.7531 4.7531 4.8267 4.8267 4.9056 4.9056 5.5738 5.5738 5.6165 5.6165 6.1312 6.1312 8.3443 8.3443 8.5181 8.5181 8.7884 8.7884 9.2591 9.2591 9.2669 9.2669 11.0817 11.0817 11.0847 11.0847 k = 0.5000 0.5000 0.1379 ( 6292 PWs) bands (ev): -48.5913 -48.5913 -26.2698 -26.2698 -24.2040 -24.2040 -24.2019 -24.2019 -6.5693 -6.5693 -6.3747 -6.3747 -6.3427 -6.3427 -6.2297 -6.2297 1.1405 1.1405 1.2407 1.2407 1.2569 1.2569 2.2230 2.2230 2.2259 2.2259 2.3225 2.3225 2.4260 2.4260 2.4370 2.4370 2.7159 2.7159 2.7742 2.7742 3.0155 3.0155 3.0469 3.0469 3.8438 3.8438 4.0817 4.0817 4.1065 4.1065 4.1975 4.1975 4.2669 4.2669 4.3105 4.3105 4.3437 4.3437 4.6259 4.6259 4.7090 4.7090 4.7449 4.7449 4.8176 4.8176 4.9047 4.9047 5.6024 5.6024 5.6474 5.6474 6.1378 6.1378 8.3279 8.3279 8.5147 8.5147 8.8281 8.8281 9.2651 9.2651 9.2739 9.2739 11.0458 11.0458 11.0487 11.0487 k = 0.5000 0.5000 0.1552 ( 6300 PWs) bands (ev): -48.5914 -48.5914 -26.2698 -26.2698 -24.2040 -24.2040 -24.2020 -24.2020 -6.5638 -6.5638 -6.3743 -6.3743 -6.3424 -6.3424 -6.2328 -6.2328 1.1413 1.1413 1.2342 1.2342 1.2507 1.2507 2.1974 2.1974 2.2299 2.2299 2.3180 2.3180 2.4311 2.4311 2.4432 2.4432 2.7104 2.7104 2.7957 2.7957 3.0151 3.0151 3.0462 3.0462 3.8525 3.8525 4.0763 4.0763 4.1098 4.1098 4.2011 4.2011 4.2609 4.2609 4.3100 4.3100 4.3447 4.3447 4.6121 4.6121 4.7018 4.7018 4.7354 4.7354 4.8081 4.8081 4.9024 4.9024 5.6342 5.6342 5.6807 5.6807 6.1450 6.1450 8.3138 8.3138 8.5109 8.5109 8.8681 8.8681 9.2713 9.2713 9.2809 9.2809 11.0075 11.0075 11.0104 11.0104 k = 0.5000 0.5000 0.1724 ( 6312 PWs) bands (ev): -48.5914 -48.5914 -26.2699 -26.2699 -24.2040 -24.2040 -24.2021 -24.2021 -6.5577 -6.5577 -6.3739 -6.3739 -6.3421 -6.3421 -6.2363 -6.2363 1.1418 1.1418 1.2272 1.2272 1.2440 1.2440 2.1707 2.1707 2.2350 2.2350 2.3146 2.3146 2.4367 2.4367 2.4499 2.4499 2.7044 2.7044 2.8163 2.8163 3.0146 3.0146 3.0453 3.0453 3.8619 3.8619 4.0705 4.0705 4.1140 4.1140 4.2043 4.2043 4.2547 4.2547 4.3098 4.3098 4.3458 4.3458 4.5979 4.5979 4.6936 4.6936 4.7247 4.7247 4.7984 4.7984 4.8985 4.8985 5.6689 5.6689 5.7161 5.7161 6.1528 6.1528 8.3024 8.3024 8.5068 8.5068 8.9081 8.9081 9.2773 9.2773 9.2877 9.2877 10.9672 10.9672 10.9703 10.9703 k = 0.5000 0.5000 0.1897 ( 6304 PWs) bands (ev): -48.5914 -48.5914 -26.2699 -26.2699 -24.2041 -24.2041 -24.2023 -24.2023 -6.5512 -6.5512 -6.3734 -6.3734 -6.3417 -6.3417 -6.2401 -6.2401 1.1422 1.1422 1.2199 1.2199 1.2370 1.2370 2.1439 2.1439 2.2407 2.2407 2.3121 2.3121 2.4430 2.4430 2.4573 2.4573 2.6979 2.6979 2.8359 2.8359 3.0140 3.0140 3.0441 3.0441 3.8717 3.8717 4.0649 4.0649 4.1189 4.1189 4.2071 4.2071 4.2488 4.2488 4.3099 4.3099 4.3474 4.3474 4.5833 4.5833 4.6846 4.6846 4.7132 4.7132 4.7885 4.7885 4.8930 4.8930 5.7060 5.7060 5.7534 5.7534 6.1611 6.1611 8.2938 8.2938 8.5024 8.5024 8.9479 8.9479 9.2830 9.2830 9.2941 9.2941 10.9259 10.9259 10.9293 10.9293 k = 0.5000 0.5000 0.2069 ( 6312 PWs) bands (ev): -48.5914 -48.5914 -26.2700 -26.2700 -24.2041 -24.2041 -24.2024 -24.2024 -6.5441 -6.5441 -6.3730 -6.3730 -6.3414 -6.3414 -6.2443 -6.2443 1.1422 1.1422 1.2123 1.2123 1.2296 1.2296 2.1174 2.1174 2.2468 2.2468 2.3105 2.3105 2.4498 2.4498 2.4651 2.4651 2.6910 2.6910 2.8545 2.8545 3.0131 3.0131 3.0427 3.0427 3.8819 3.8819 4.0596 4.0596 4.1242 4.1242 4.2093 4.2093 4.2433 4.2433 4.3102 4.3102 4.3492 4.3492 4.5684 4.5684 4.6745 4.6745 4.7012 4.7012 4.7785 4.7785 4.8857 4.8857 5.7451 5.7451 5.7921 5.7921 6.1698 6.1698 8.2878 8.2878 8.4978 8.4978 8.9870 8.9870 9.2880 9.2880 9.2997 9.2997 10.8842 10.8842 10.8882 10.8882 k = 0.5000 0.5000 0.2241 ( 6312 PWs) bands (ev): -48.5914 -48.5914 -26.2700 -26.2700 -24.2041 -24.2041 -24.2026 -24.2026 -6.5366 -6.5366 -6.3725 -6.3725 -6.3410 -6.3410 -6.2488 -6.2488 1.1419 1.1419 1.2046 1.2046 1.2221 1.2221 2.0916 2.0916 2.2532 2.2532 2.3098 2.3098 2.4571 2.4571 2.4734 2.4734 2.6837 2.6837 2.8719 2.8719 3.0121 3.0121 3.0411 3.0411 3.8923 3.8923 4.0550 4.0550 4.1298 4.1298 4.2104 4.2104 4.2387 4.2387 4.3106 4.3106 4.3514 4.3514 4.5534 4.5534 4.6633 4.6633 4.6894 4.6894 4.7684 4.7684 4.8767 4.8767 5.7857 5.7857 5.8320 5.8320 6.1787 6.1787 8.2848 8.2848 8.4929 8.4929 9.0249 9.0249 9.2921 9.2921 9.3043 9.3043 10.8430 10.8430 10.8475 10.8475 k = 0.5000 0.5000 0.2414 ( 6296 PWs) bands (ev): -48.5913 -48.5913 -26.2701 -26.2701 -24.2041 -24.2041 -24.2027 -24.2027 -6.5286 -6.5286 -6.3720 -6.3720 -6.3406 -6.3406 -6.2537 -6.2537 1.1412 1.1412 1.1969 1.1969 1.2144 1.2144 2.0666 2.0666 2.2600 2.2600 2.3098 2.3098 2.4648 2.4648 2.4820 2.4820 2.6761 2.6761 2.8881 2.8881 3.0110 3.0110 3.0391 3.0391 3.9025 3.9025 4.0515 4.0515 4.1356 4.1356 4.2103 4.2103 4.2356 4.2356 4.3110 4.3110 4.3542 4.3542 4.5386 4.5386 4.6507 4.6507 4.6783 4.6783 4.7583 4.7583 4.8658 4.8658 5.8273 5.8273 5.8725 5.8725 6.1878 6.1878 8.2845 8.2845 8.4880 8.4880 9.0611 9.0611 9.2950 9.2950 9.3076 9.3076 10.8029 10.8029 10.8080 10.8080 k = 0.5000 0.5000 0.2586 ( 6296 PWs) bands (ev): -48.5913 -48.5913 -26.2701 -26.2701 -24.2041 -24.2041 -24.2028 -24.2028 -6.5203 -6.5203 -6.3716 -6.3716 -6.3402 -6.3402 -6.2590 -6.2590 1.1400 1.1400 1.1894 1.1894 1.2067 1.2067 2.0426 2.0426 2.2672 2.2672 2.3106 2.3106 2.4729 2.4729 2.4910 2.4910 2.6682 2.6682 2.9031 2.9031 3.0096 3.0096 3.0369 3.0369 3.9121 3.9121 4.0493 4.0493 4.1416 4.1416 4.2086 4.2086 4.2341 4.2341 4.3112 4.3112 4.3574 4.3574 4.5239 4.5239 4.6367 4.6367 4.6680 4.6680 4.7480 4.7480 4.8530 4.8530 5.8695 5.8695 5.9134 5.9134 6.1970 6.1970 8.2871 8.2871 8.4830 8.4830 9.0951 9.0951 9.2965 9.2965 9.3093 9.3093 10.7645 10.7645 10.7702 10.7702 k = 0.5000 0.5000 0.2759 ( 6300 PWs) bands (ev): -48.5914 -48.5914 -26.2702 -26.2702 -24.2041 -24.2041 -24.2030 -24.2030 -6.5116 -6.5116 -6.3711 -6.3711 -6.3399 -6.3399 -6.2645 -6.2645 1.1383 1.1383 1.1821 1.1821 1.1991 1.1991 2.0197 2.0197 2.2745 2.2745 2.3123 2.3123 2.4811 2.4811 2.5001 2.5001 2.6601 2.6601 2.9168 2.9168 3.0081 3.0081 3.0343 3.0343 3.9209 3.9209 4.0489 4.0489 4.1476 4.1476 4.2056 4.2056 4.2342 4.2342 4.3110 4.3110 4.3611 4.3611 4.5098 4.5098 4.6219 4.6219 4.6586 4.6586 4.7376 4.7376 4.8386 4.8386 5.9117 5.9117 5.9542 5.9542 6.2061 6.2061 8.2923 8.2923 8.4780 8.4780 9.1263 9.1263 9.2964 9.2964 9.3094 9.3094 10.7285 10.7285 10.7346 10.7346 k = 0.5000 0.5000 0.2931 ( 6300 PWs) bands (ev): -48.5914 -48.5914 -26.2702 -26.2702 -24.2041 -24.2041 -24.2031 -24.2031 -6.5027 -6.5027 -6.3707 -6.3707 -6.3395 -6.3395 -6.2704 -6.2704 1.1361 1.1361 1.1752 1.1752 1.1917 1.1917 1.9981 1.9981 2.2821 2.2821 2.3146 2.3146 2.4895 2.4895 2.5093 2.5093 2.6521 2.6521 2.9293 2.9293 3.0065 3.0065 3.0315 3.0315 3.9283 3.9283 4.0504 4.0504 4.1536 4.1536 4.2020 4.2020 4.2353 4.2353 4.3104 4.3104 4.3652 4.3652 4.4964 4.4964 4.6066 4.6066 4.6501 4.6501 4.7272 4.7272 4.8224 4.8224 5.9536 5.9536 5.9944 5.9944 6.2152 6.2152 8.3000 8.3000 8.4731 8.4731 9.1542 9.1542 9.2947 9.2947 9.3077 9.3077 10.6952 10.6952 10.7017 10.7017 k = 0.5000 0.5000 0.3103 ( 6284 PWs) bands (ev): -48.5913 -48.5913 -26.2703 -26.2703 -24.2041 -24.2041 -24.2032 -24.2032 -6.4935 -6.4935 -6.3703 -6.3703 -6.3391 -6.3391 -6.2766 -6.2766 1.1334 1.1334 1.1688 1.1688 1.1844 1.1844 1.9779 1.9779 2.2898 2.2898 2.3175 2.3175 2.4979 2.4979 2.5184 2.5184 2.6440 2.6440 2.9406 2.9406 3.0047 3.0047 3.0285 3.0285 3.9342 3.9342 4.0544 4.0544 4.1596 4.1596 4.1982 4.1982 4.2370 4.2370 4.3092 4.3092 4.3698 4.3698 4.4840 4.4840 4.5914 4.5914 4.6424 4.6424 4.7169 4.7169 4.8048 4.8048 5.9945 5.9945 6.0336 6.0336 6.2241 6.2241 8.3101 8.3101 8.4683 8.4683 9.1782 9.1782 9.2914 9.2914 9.3043 9.3043 10.6651 10.6651 10.6716 10.6716 k = 0.5000 0.5000 0.3276 ( 6284 PWs) bands (ev): -48.5913 -48.5913 -26.2703 -26.2703 -24.2041 -24.2041 -24.2034 -24.2034 -6.4841 -6.4841 -6.3700 -6.3700 -6.3388 -6.3388 -6.2830 -6.2830 1.1302 1.1302 1.1632 1.1632 1.1775 1.1775 1.9592 1.9592 2.2975 2.2975 2.3210 2.3210 2.5063 2.5063 2.5273 2.5273 2.6363 2.6363 2.9506 2.9506 3.0029 3.0029 3.0252 3.0252 3.9383 3.9383 4.0605 4.0605 4.1654 4.1654 4.1945 4.1945 4.2392 4.2392 4.3072 4.3072 4.3748 4.3748 4.4729 4.4729 4.5763 4.5763 4.6355 4.6355 4.7066 4.7066 4.7859 4.7859 6.0342 6.0342 6.0714 6.0714 6.2328 6.2328 8.3221 8.3221 8.4636 8.4636 9.1980 9.1980 9.2865 9.2865 9.2991 9.2991 10.6382 10.6382 10.6440 10.6440 k = 0.5000 0.5000 0.3448 ( 6284 PWs) bands (ev): -48.5913 -48.5913 -26.2704 -26.2704 -24.2041 -24.2041 -24.2035 -24.2035 -6.4746 -6.4746 -6.3698 -6.3698 -6.3385 -6.3385 -6.2897 -6.2897 1.1266 1.1266 1.1582 1.1582 1.1710 1.1710 1.9420 1.9420 2.3052 2.3052 2.3248 2.3248 2.5144 2.5144 2.5356 2.5356 2.6288 2.6288 2.9595 2.9595 3.0010 3.0010 3.0217 3.0217 3.9409 3.9409 4.0687 4.0687 4.1708 4.1708 4.1910 4.1910 4.2418 4.2418 4.3043 4.3043 4.3800 4.3800 4.4632 4.4632 4.5619 4.5619 4.6293 4.6293 4.6964 4.6964 4.7659 4.7659 6.0720 6.0720 6.1071 6.1071 6.2413 6.2413 8.3357 8.3357 8.4592 8.4592 9.2133 9.2133 9.2803 9.2803 9.2925 9.2925 10.6146 10.6146 10.6183 10.6183 k = 0.5000 0.5000 0.3621 ( 6284 PWs) bands (ev): -48.5913 -48.5913 -26.2704 -26.2704 -24.2041 -24.2041 -24.2036 -24.2036 -6.4650 -6.4650 -6.3697 -6.3697 -6.3382 -6.3382 -6.2966 -6.2966 1.1227 1.1227 1.1539 1.1539 1.1650 1.1650 1.9265 1.9265 2.3127 2.3127 2.3289 2.3289 2.5222 2.5222 2.5431 2.5431 2.6220 2.6220 2.9672 2.9672 2.9992 2.9992 3.0181 3.0181 3.9423 3.9423 4.0784 4.0784 4.1759 4.1759 4.1877 4.1877 4.2447 4.2447 4.3005 4.3005 4.3853 4.3853 4.4552 4.4552 4.5486 4.5486 4.6241 4.6241 4.6864 4.6864 4.7453 4.7453 6.1075 6.1075 6.1403 6.1403 6.2494 6.2494 8.3505 8.3505 8.4551 8.4551 9.2241 9.2241 9.2731 9.2731 9.2848 9.2848 10.5934 10.5934 10.5959 10.5959 k = 0.5000 0.5000 0.3793 ( 6276 PWs) bands (ev): -48.5912 -48.5912 -26.2704 -26.2704 -24.2041 -24.2041 -24.2037 -24.2037 -6.4554 -6.4554 -6.3698 -6.3698 -6.3379 -6.3379 -6.3035 -6.3035 1.1188 1.1188 1.1502 1.1502 1.1595 1.1595 1.9126 1.9126 2.3200 2.3200 2.3331 2.3331 2.5295 2.5295 2.5496 2.5496 2.6163 2.6163 2.9738 2.9738 2.9975 2.9975 3.0145 3.0145 3.9427 3.9427 4.0893 4.0893 4.1804 4.1804 4.1847 4.1847 4.2478 4.2478 4.2958 4.2958 4.3907 4.3907 4.4490 4.4490 4.5365 4.5365 4.6198 4.6198 4.6768 4.6768 4.7243 4.7243 6.1401 6.1401 6.1703 6.1703 6.2575 6.2575 8.3658 8.3658 8.4513 8.4513 9.2306 9.2306 9.2652 9.2652 9.2763 9.2763 10.5744 10.5744 10.5786 10.5786 k = 0.5000 0.5000 0.3966 ( 6268 PWs) bands (ev): -48.5912 -48.5912 -26.2705 -26.2705 -24.2041 -24.2041 -24.2038 -24.2038 -6.4459 -6.4459 -6.3701 -6.3701 -6.3376 -6.3376 -6.3104 -6.3104 1.1150 1.1150 1.1472 1.1472 1.1546 1.1546 1.9005 1.9005 2.3268 2.3268 2.3371 2.3371 2.5362 2.5362 2.5544 2.5544 2.6119 2.6119 2.9794 2.9794 2.9961 2.9961 3.0110 3.0110 3.9426 3.9426 4.1007 4.1007 4.1818 4.1818 4.1844 4.1844 4.2512 4.2512 4.2905 4.2905 4.3960 4.3960 4.4443 4.4443 4.5262 4.5262 4.6166 4.6166 4.6675 4.6675 4.7034 4.7034 6.1696 6.1696 6.1965 6.1965 6.2656 6.2656 8.3813 8.3813 8.4480 8.4480 9.2334 9.2334 9.2573 9.2573 9.2676 9.2676 10.5595 10.5595 10.5648 10.5648 k = 0.5000 0.5000 0.4138 ( 6260 PWs) bands (ev): -48.5911 -48.5911 -26.2705 -26.2705 -24.2041 -24.2041 -24.2039 -24.2039 -6.4367 -6.4367 -6.3706 -6.3706 -6.3374 -6.3374 -6.3171 -6.3171 1.1115 1.1115 1.1446 1.1446 1.1503 1.1503 1.8901 1.8901 2.3331 2.3331 2.3409 2.3409 2.5421 2.5421 2.5575 2.5575 2.6092 2.6092 2.9838 2.9838 2.9949 2.9949 3.0075 3.0075 3.9421 3.9421 4.1122 4.1122 4.1791 4.1791 4.1877 4.1877 4.2546 4.2546 4.2847 4.2847 4.4011 4.4011 4.4408 4.4408 4.5181 4.5181 4.6145 4.6145 4.6586 4.6586 4.6832 4.6832 6.1954 6.1954 6.2179 6.2179 6.2740 6.2740 8.3960 8.3960 8.4450 8.4450 9.2331 9.2331 9.2496 9.2496 9.2589 9.2589 10.5487 10.5487 10.5539 10.5539 k = 0.5000 0.5000 0.4310 ( 6240 PWs) bands (ev): -48.5910 -48.5910 -26.2705 -26.2705 -24.2040 -24.2040 -24.2039 -24.2039 -6.4277 -6.4277 -6.3716 -6.3716 -6.3373 -6.3373 -6.3234 -6.3234 1.1085 1.1085 1.1426 1.1426 1.1467 1.1467 1.8816 1.8816 2.3386 2.3386 2.3442 2.3442 2.5472 2.5472 2.5587 2.5587 2.6082 2.6082 2.9872 2.9872 2.9943 2.9943 3.0044 3.0044 3.9415 3.9415 4.1234 4.1234 4.1763 4.1763 4.1903 4.1903 4.2579 4.2579 4.2788 4.2788 4.4060 4.4060 4.4380 4.4380 4.5125 4.5125 4.6136 4.6136 4.6503 4.6503 4.6643 4.6643 6.2171 6.2171 6.2342 6.2342 6.2829 6.2829 8.4095 8.4095 8.4426 8.4426 9.2309 9.2309 9.2429 9.2429 9.2509 9.2509 10.5413 10.5413 10.5455 10.5455 k = 0.5000 0.5000 0.4483 ( 6244 PWs) bands (ev): -48.5910 -48.5910 -26.2705 -26.2705 -24.2041 -24.2041 -24.2040 -24.2040 -6.4194 -6.4194 -6.3731 -6.3731 -6.3371 -6.3371 -6.3289 -6.3289 1.1060 1.1060 1.1411 1.1411 1.1439 1.1439 1.8749 1.8749 2.3431 2.3431 2.3469 2.3469 2.5513 2.5513 2.5585 2.5585 2.6083 2.6083 2.9892 2.9892 2.9945 2.9945 3.0015 3.0015 3.9409 3.9409 4.1340 4.1340 4.1731 4.1731 4.1923 4.1923 4.2608 4.2608 4.2734 4.2734 4.4106 4.4106 4.4351 4.4351 4.5095 4.5095 4.6137 4.6137 4.6423 4.6423 4.6480 4.6480 6.2343 6.2343 6.2453 6.2453 6.2918 6.2918 8.4209 8.4209 8.4406 8.4406 9.2278 9.2278 9.2374 9.2374 9.2438 9.2438 10.5365 10.5365 10.5392 10.5392 k = 0.5000 0.5000 0.4655 ( 6260 PWs) bands (ev): -48.5911 -48.5911 -26.2705 -26.2705 -24.2041 -24.2041 -24.2040 -24.2040 -6.4121 -6.4121 -6.3752 -6.3752 -6.3370 -6.3370 -6.3332 -6.3332 1.1042 1.1042 1.1400 1.1400 1.1418 1.1418 1.8702 1.8702 2.3466 2.3466 2.3488 2.3488 2.5542 2.5542 2.5578 2.5578 2.6090 2.6090 2.9902 2.9902 2.9952 2.9952 2.9992 2.9992 3.9404 3.9404 4.1436 4.1436 4.1693 4.1693 4.1937 4.1937 4.2631 4.2631 4.2690 4.2690 4.4151 4.4151 4.4318 4.4318 4.5087 4.5087 4.6148 4.6148 4.6324 4.6324 4.6377 4.6377 6.2468 6.2468 6.2521 6.2521 6.2994 6.2994 8.4297 8.4297 8.4392 8.4392 9.2247 9.2247 9.2335 9.2335 9.2380 9.2380 10.5335 10.5335 10.5350 10.5350 k = 0.5000 0.5000 0.4828 ( 6272 PWs) bands (ev): -48.5912 -48.5912 -26.2706 -26.2706 -24.2041 -24.2041 -24.2041 -24.2041 -6.4067 -6.4067 -6.3772 -6.3772 -6.3370 -6.3370 -6.3360 -6.3360 1.1031 1.1031 1.1395 1.1395 1.1403 1.1403 1.8673 1.8673 2.3489 2.3489 2.3499 2.3499 2.5560 2.5560 2.5570 2.5570 2.6096 2.6096 2.9906 2.9906 2.9960 2.9960 2.9975 2.9975 3.9401 3.9401 4.1519 4.1519 4.1647 4.1647 4.1945 4.1945 4.2645 4.2645 4.2660 4.2660 4.4195 4.4195 4.4280 4.4280 4.5092 4.5092 4.6167 4.6167 4.6235 4.6235 4.6323 4.6323 6.2544 6.2544 6.2558 6.2558 6.3044 6.3044 8.4352 8.4352 8.4383 8.4383 9.2226 9.2226 9.2316 9.2316 9.2339 9.2339 10.5319 10.5319 10.5325 10.5325 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -48.5912 -48.5912 -26.2706 -26.2706 -24.2041 -24.2041 -24.2041 -24.2041 -6.4045 -6.4045 -6.3782 -6.3782 -6.3369 -6.3369 -6.3369 -6.3369 1.1027 1.1027 1.1396 1.1396 1.1396 1.1396 1.8663 1.8663 2.3499 2.3499 2.3499 2.3499 2.5567 2.5567 2.5567 2.5567 2.6099 2.6099 2.9907 2.9907 2.9966 2.9966 2.9966 2.9966 3.9400 3.9400 4.1590 4.1590 4.1590 4.1590 4.1948 4.1948 4.2650 4.2650 4.2650 4.2650 4.4238 4.4238 4.4238 4.4238 4.5095 4.5095 4.6190 4.6190 4.6190 4.6190 4.6302 4.6302 6.2570 6.2570 6.2570 6.2570 6.3062 6.3062 8.4375 8.4375 8.4375 8.4375 9.2219 9.2219 9.2317 9.2317 9.2317 9.2317 10.5316 10.5316 10.5316 10.5316 Writing output data file NbCu3S4.save init_run : 3.89s CPU 13.94s WALL ( 1 calls) electrons : 1302.11s CPU 1314.18s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.29s CPU 1.36s WALL ( 1 calls) Called by electrons: c_bands : 1302.07s CPU 1313.70s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.92s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.06s CPU 0.58s WALL ( 1 calls) newd : 0.74s CPU 0.86s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.14s WALL ( 225 calls) cegterg : 1241.01s CPU 1250.04s WALL ( 596 calls) Called by sum_band: Called by *egterg: h_psi : 402.36s CPU 409.93s WALL ( 10534 calls) s_psi : 82.52s CPU 82.85s WALL ( 10534 calls) g_psi : 1.07s CPU 1.12s WALL ( 9713 calls) cdiaghg : 584.42s CPU 583.10s WALL ( 9938 calls) cegterg:over : 102.71s CPU 100.24s WALL ( 9713 calls) cegterg:upda : 33.50s CPU 35.64s WALL ( 9713 calls) cegterg:last : 23.41s CPU 23.79s WALL ( 1324 calls) Called by h_psi: h_psi:vloc : 252.87s CPU 257.98s WALL ( 10534 calls) h_psi:vnl : 148.94s CPU 150.79s WALL ( 10534 calls) add_vuspsi : 61.72s CPU 65.03s WALL ( 10534 calls) General routines calbec : 87.16s CPU 85.64s WALL ( 10534 calls) fft : 0.14s CPU 0.84s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 239.84s CPU 242.93s WALL ( 1348252 calls) interpolate : 0.04s CPU 0.11s WALL ( 4 calls) davcio : 0.03s CPU 1.46s WALL ( 450 calls) Parallel routines fft_scatter : 161.92s CPU 162.52s WALL ( 1348275 calls) PWSCF : 22m52.19s CPU 25m 3.92s WALL This run was terminated on: 12: 7:46 29Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=