Program PWSCF v.5.1.1 starts on 1Nov2015 at 9:33:23 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NbCu3S4.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 47 34 10 1720 1040 162 Max 49 35 11 1724 1067 165 Sum 2305 1649 481 82663 50541 7809 bravais-lattice index = 14 lattice parameter (alat) = 10.3935 a.u. unit-cell volume = 1122.7539 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 70.00 number of Kohn-Sham states= 84 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 267.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.393493 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Nb read from file: /home/autes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Nb 13.00 92.90640 Nb( 1.00) Cu 11.00 63.54600 Cu( 1.00) 24 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 17 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(17) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(17) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 18 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(18) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 19 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(19) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(19) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 20 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(20) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(20) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 21 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(21) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(21) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(22) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 23 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(23) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(23) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(24) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(24) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) double point group T_d (-43m) there are 8 classes and 3 irreducible representations the character table: E -E 8C3 -8C3 3C2 6s_d 6S4 -6S4 -3C2 -6s_d G_6 2.00 -2.00 1.00 -1.00 0.00 0.00 1.41 -1.41 G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.41 1.41 G_8 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2 -3C2 2 -2 3 -3 4 -4 8C3 5 7 8 6 12 9 10 11 6s_d -6s_d 13 -13 14 -14 17 -17 18 -18 21 -21 22 -22 6S4 15 16 20 19 23 24 -E -1 -8C3 -5 -7 -8 -6 -12 -9 -10 -11 -6S4 -15 -16 -20 -19 -23 -24 Cartesian axes number of k points= 225 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 2) = ( 0.0000000 0.0172414 -0.0000000), wk = 0.0044444 k( 3) = ( 0.0000000 0.0344828 -0.0000000), wk = 0.0044444 k( 4) = ( 0.0000000 0.0517241 -0.0000000), wk = 0.0044444 k( 5) = ( 0.0000000 0.0689655 -0.0000000), wk = 0.0044444 k( 6) = ( 0.0000000 0.0862069 -0.0000000), wk = 0.0044444 k( 7) = ( 0.0000000 0.1034483 -0.0000000), wk = 0.0044444 k( 8) = ( 0.0000000 0.1206897 -0.0000000), wk = 0.0044444 k( 9) = ( 0.0000000 0.1379310 -0.0000000), wk = 0.0044444 k( 10) = ( 0.0000000 0.1551724 -0.0000000), wk = 0.0044444 k( 11) = ( 0.0000000 0.1724138 -0.0000000), wk = 0.0044444 k( 12) = ( 0.0000000 0.1896552 -0.0000000), wk = 0.0044444 k( 13) = ( 0.0000000 0.2068966 -0.0000000), wk = 0.0044444 k( 14) = ( 0.0000000 0.2241379 -0.0000000), wk = 0.0044444 k( 15) = ( 0.0000000 0.2413793 -0.0000000), wk = 0.0044444 k( 16) = ( 0.0000000 0.2586207 -0.0000000), wk = 0.0044444 k( 17) = ( 0.0000000 0.2758621 -0.0000000), wk = 0.0044444 k( 18) = ( 0.0000000 0.2931034 -0.0000000), wk = 0.0044444 k( 19) = ( 0.0000000 0.3103448 -0.0000000), wk = 0.0044444 k( 20) = ( 0.0000000 0.3275862 -0.0000000), wk = 0.0044444 k( 21) = ( 0.0000000 0.3448276 -0.0000000), wk = 0.0044444 k( 22) = ( 0.0000000 0.3620690 -0.0000000), wk = 0.0044444 k( 23) = ( 0.0000000 0.3793103 -0.0000000), wk = 0.0044444 k( 24) = ( 0.0000000 0.3965517 -0.0000000), wk = 0.0044444 k( 25) = ( 0.0000000 0.4137931 -0.0000000), wk = 0.0044444 k( 26) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0044444 k( 27) = ( 0.0000000 0.4482759 -0.0000000), wk = 0.0044444 k( 28) = ( 0.0000000 0.4655172 -0.0000000), wk = 0.0044444 k( 29) = ( 0.0000000 0.4827586 -0.0000000), wk = 0.0044444 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 32) = ( 0.0172414 0.5000000 -0.0000000), wk = 0.0044444 k( 33) = ( 0.0344828 0.5000000 -0.0000000), wk = 0.0044444 k( 34) = ( 0.0517241 0.5000000 -0.0000000), wk = 0.0044444 k( 35) = ( 0.0689655 0.5000000 -0.0000000), wk = 0.0044444 k( 36) = ( 0.0862069 0.5000000 -0.0000000), wk = 0.0044444 k( 37) = ( 0.1034483 0.5000000 -0.0000000), wk = 0.0044444 k( 38) = ( 0.1206897 0.5000000 -0.0000000), wk = 0.0044444 k( 39) = ( 0.1379310 0.5000000 -0.0000000), wk = 0.0044444 k( 40) = ( 0.1551724 0.5000000 -0.0000000), wk = 0.0044444 k( 41) = ( 0.1724138 0.5000000 -0.0000000), wk = 0.0044444 k( 42) = ( 0.1896552 0.5000000 -0.0000000), wk = 0.0044444 k( 43) = ( 0.2068966 0.5000000 -0.0000000), wk = 0.0044444 k( 44) = ( 0.2241379 0.5000000 -0.0000000), wk = 0.0044444 k( 45) = ( 0.2413793 0.5000000 -0.0000000), wk = 0.0044444 k( 46) = ( 0.2586207 0.5000000 -0.0000000), wk = 0.0044444 k( 47) = ( 0.2758621 0.5000000 -0.0000000), wk = 0.0044444 k( 48) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0044444 k( 49) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0044444 k( 50) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0044444 k( 51) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0044444 k( 52) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0044444 k( 53) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0044444 k( 54) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0044444 k( 55) = ( 0.4137931 0.5000000 -0.0000000), wk = 0.0044444 k( 56) = ( 0.4310345 0.5000000 -0.0000000), wk = 0.0044444 k( 57) = ( 0.4482759 0.5000000 -0.0000000), wk = 0.0044444 k( 58) = ( 0.4655172 0.5000000 -0.0000000), wk = 0.0044444 k( 59) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0044444 k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 62) = ( 0.4878049 0.4878049 -0.0000000), wk = 0.0044444 k( 63) = ( 0.4756098 0.4756098 -0.0000000), wk = 0.0044444 k( 64) = ( 0.4634146 0.4634146 -0.0000000), wk = 0.0044444 k( 65) = ( 0.4512195 0.4512195 -0.0000000), wk = 0.0044444 k( 66) = ( 0.4390244 0.4390244 -0.0000000), wk = 0.0044444 k( 67) = ( 0.4268293 0.4268293 -0.0000000), wk = 0.0044444 k( 68) = ( 0.4146341 0.4146341 -0.0000000), wk = 0.0044444 k( 69) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0044444 k( 70) = ( 0.3902439 0.3902439 -0.0000000), wk = 0.0044444 k( 71) = ( 0.3780488 0.3780488 -0.0000000), wk = 0.0044444 k( 72) = ( 0.3658537 0.3658537 -0.0000000), wk = 0.0044444 k( 73) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0044444 k( 74) = ( 0.3414634 0.3414634 -0.0000000), wk = 0.0044444 k( 75) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0044444 k( 76) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0044444 k( 77) = ( 0.3048781 0.3048780 -0.0000000), wk = 0.0044444 k( 78) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0044444 k( 79) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0044444 k( 80) = ( 0.2682927 0.2682927 -0.0000000), wk = 0.0044444 k( 81) = ( 0.2560976 0.2560976 -0.0000000), wk = 0.0044444 k( 82) = ( 0.2439024 0.2439024 -0.0000000), wk = 0.0044444 k( 83) = ( 0.2317073 0.2317073 -0.0000000), wk = 0.0044444 k( 84) = ( 0.2195122 0.2195122 -0.0000000), wk = 0.0044444 k( 85) = ( 0.2073171 0.2073171 -0.0000000), wk = 0.0044444 k( 86) = ( 0.1951219 0.1951219 -0.0000000), wk = 0.0044444 k( 87) = ( 0.1829268 0.1829268 -0.0000000), wk = 0.0044444 k( 88) = ( 0.1707317 0.1707317 -0.0000000), wk = 0.0044444 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0044444 k( 90) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0044444 k( 91) = ( 0.1341463 0.1341463 -0.0000000), wk = 0.0044444 k( 92) = ( 0.1219512 0.1219512 -0.0000000), wk = 0.0044444 k( 93) = ( 0.1097561 0.1097561 -0.0000000), wk = 0.0044444 k( 94) = ( 0.0975610 0.0975610 -0.0000000), wk = 0.0044444 k( 95) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0044444 k( 96) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0044444 k( 97) = ( 0.0609756 0.0609756 -0.0000000), wk = 0.0044444 k( 98) = ( 0.0487805 0.0487805 -0.0000000), wk = 0.0044444 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0044444 k( 100) = ( 0.0243902 0.0243902 -0.0000000), wk = 0.0044444 k( 101) = ( 0.0121951 0.0121951 -0.0000000), wk = 0.0044444 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 104) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0044444 k( 105) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0044444 k( 106) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0044444 k( 107) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0044444 k( 108) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0044444 k( 109) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0044444 k( 110) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0044444 k( 111) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0044444 k( 112) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0044444 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0044444 k( 114) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0044444 k( 115) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0044444 k( 116) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0044444 k( 117) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0044444 k( 118) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0044444 k( 119) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0044444 k( 120) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0044444 k( 121) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0044444 k( 122) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0044444 k( 123) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0044444 k( 124) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0044444 k( 125) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0044444 k( 126) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0044444 k( 127) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0044444 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044444 k( 129) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0044444 k( 130) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0044444 k( 131) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0044444 k( 132) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0044444 k( 133) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0044444 k( 134) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0044444 k( 135) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0044444 k( 136) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0044444 k( 137) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0044444 k( 138) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0044444 k( 139) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0044444 k( 140) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0044444 k( 141) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0044444 k( 142) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0044444 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0044444 k( 144) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0044444 k( 145) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0044444 k( 146) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0044444 k( 147) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0044444 k( 148) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0044444 k( 149) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0044444 k( 150) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0044444 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0044444 k( 152) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0044444 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 155) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044444 k( 156) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044444 k( 157) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044444 k( 158) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044444 k( 159) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044444 k( 160) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044444 k( 161) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044444 k( 162) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044444 k( 163) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044444 k( 164) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044444 k( 165) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044444 k( 166) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044444 k( 167) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044444 k( 168) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044444 k( 169) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044444 k( 170) = ( 0.3048781 0.5000000 0.3048780), wk = 0.0044444 k( 171) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044444 k( 172) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044444 k( 173) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044444 k( 174) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044444 k( 175) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044444 k( 176) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044444 k( 177) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044444 k( 178) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044444 k( 179) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044444 k( 180) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044444 k( 181) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044444 k( 182) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044444 k( 183) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044444 k( 184) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044444 k( 185) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044444 k( 186) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044444 k( 187) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044444 k( 188) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044444 k( 189) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044444 k( 190) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044444 k( 191) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044444 k( 192) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044444 k( 193) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044444 k( 194) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044444 k( 195) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 196) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 197) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044444 k( 198) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044444 k( 199) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044444 k( 200) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044444 k( 201) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044444 k( 202) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044444 k( 203) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044444 k( 204) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044444 k( 205) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044444 k( 206) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044444 k( 207) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044444 k( 208) = ( 0.5000000 0.5000000 0.2068965), wk = 0.0044444 k( 209) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044444 k( 210) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044444 k( 211) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044444 k( 212) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044444 k( 213) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044444 k( 214) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044444 k( 215) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044444 k( 216) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044444 k( 217) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044444 k( 218) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044444 k( 219) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044444 k( 220) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044444 k( 221) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044444 k( 222) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044444 k( 223) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044444 k( 224) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044444 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 2) = ( 0.0000000 0.0172414 0.0000000), wk = 0.0044444 k( 3) = ( 0.0000000 0.0344828 0.0000000), wk = 0.0044444 k( 4) = ( 0.0000000 0.0517241 0.0000000), wk = 0.0044444 k( 5) = ( 0.0000000 0.0689655 0.0000000), wk = 0.0044444 k( 6) = ( 0.0000000 0.0862069 0.0000000), wk = 0.0044444 k( 7) = ( 0.0000000 0.1034483 0.0000000), wk = 0.0044444 k( 8) = ( 0.0000000 0.1206897 0.0000000), wk = 0.0044444 k( 9) = ( 0.0000000 0.1379310 0.0000000), wk = 0.0044444 k( 10) = ( 0.0000000 0.1551724 0.0000000), wk = 0.0044444 k( 11) = ( 0.0000000 0.1724138 0.0000000), wk = 0.0044444 k( 12) = ( 0.0000000 0.1896552 0.0000000), wk = 0.0044444 k( 13) = ( 0.0000000 0.2068966 0.0000000), wk = 0.0044444 k( 14) = ( 0.0000000 0.2241379 0.0000000), wk = 0.0044444 k( 15) = ( 0.0000000 0.2413793 0.0000000), wk = 0.0044444 k( 16) = ( 0.0000000 0.2586207 0.0000000), wk = 0.0044444 k( 17) = ( 0.0000000 0.2758621 0.0000000), wk = 0.0044444 k( 18) = ( 0.0000000 0.2931034 0.0000000), wk = 0.0044444 k( 19) = ( 0.0000000 0.3103448 0.0000000), wk = 0.0044444 k( 20) = ( 0.0000000 0.3275862 0.0000000), wk = 0.0044444 k( 21) = ( 0.0000000 0.3448276 0.0000000), wk = 0.0044444 k( 22) = ( 0.0000000 0.3620690 0.0000000), wk = 0.0044444 k( 23) = ( 0.0000000 0.3793103 0.0000000), wk = 0.0044444 k( 24) = ( 0.0000000 0.3965517 0.0000000), wk = 0.0044444 k( 25) = ( 0.0000000 0.4137931 0.0000000), wk = 0.0044444 k( 26) = ( 0.0000000 0.4310345 0.0000000), wk = 0.0044444 k( 27) = ( 0.0000000 0.4482759 0.0000000), wk = 0.0044444 k( 28) = ( 0.0000000 0.4655172 0.0000000), wk = 0.0044444 k( 29) = ( 0.0000000 0.4827586 0.0000000), wk = 0.0044444 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 32) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0044444 k( 33) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0044444 k( 34) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0044444 k( 35) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0044444 k( 36) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0044444 k( 37) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0044444 k( 38) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0044444 k( 39) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0044444 k( 40) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0044444 k( 41) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0044444 k( 42) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0044444 k( 43) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0044444 k( 44) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0044444 k( 45) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0044444 k( 46) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0044444 k( 47) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0044444 k( 48) = ( 0.2931034 0.5000000 0.0000000), wk = 0.0044444 k( 49) = ( 0.3103448 0.5000000 0.0000000), wk = 0.0044444 k( 50) = ( 0.3275862 0.5000000 0.0000000), wk = 0.0044444 k( 51) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0044444 k( 52) = ( 0.3620690 0.5000000 0.0000000), wk = 0.0044444 k( 53) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0044444 k( 54) = ( 0.3965517 0.5000000 0.0000000), wk = 0.0044444 k( 55) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0044444 k( 56) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0044444 k( 57) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0044444 k( 58) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0044444 k( 59) = ( 0.4827586 0.5000000 0.0000000), wk = 0.0044444 k( 60) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 61) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 62) = ( 0.4878049 0.4878049 0.0000000), wk = 0.0044444 k( 63) = ( 0.4756098 0.4756098 0.0000000), wk = 0.0044444 k( 64) = ( 0.4634146 0.4634146 0.0000000), wk = 0.0044444 k( 65) = ( 0.4512195 0.4512195 0.0000000), wk = 0.0044444 k( 66) = ( 0.4390244 0.4390244 0.0000000), wk = 0.0044444 k( 67) = ( 0.4268293 0.4268293 0.0000000), wk = 0.0044444 k( 68) = ( 0.4146341 0.4146341 0.0000000), wk = 0.0044444 k( 69) = ( 0.4024390 0.4024390 0.0000000), wk = 0.0044444 k( 70) = ( 0.3902439 0.3902439 0.0000000), wk = 0.0044444 k( 71) = ( 0.3780488 0.3780488 0.0000000), wk = 0.0044444 k( 72) = ( 0.3658537 0.3658537 0.0000000), wk = 0.0044444 k( 73) = ( 0.3536585 0.3536585 0.0000000), wk = 0.0044444 k( 74) = ( 0.3414634 0.3414634 -0.0000000), wk = 0.0044444 k( 75) = ( 0.3292683 0.3292683 0.0000000), wk = 0.0044444 k( 76) = ( 0.3170732 0.3170732 0.0000000), wk = 0.0044444 k( 77) = ( 0.3048781 0.3048781 0.0000000), wk = 0.0044444 k( 78) = ( 0.2926829 0.2926829 0.0000000), wk = 0.0044444 k( 79) = ( 0.2804878 0.2804878 0.0000000), wk = 0.0044444 k( 80) = ( 0.2682927 0.2682927 0.0000000), wk = 0.0044444 k( 81) = ( 0.2560976 0.2560976 0.0000000), wk = 0.0044444 k( 82) = ( 0.2439024 0.2439024 0.0000000), wk = 0.0044444 k( 83) = ( 0.2317073 0.2317073 0.0000000), wk = 0.0044444 k( 84) = ( 0.2195122 0.2195122 0.0000000), wk = 0.0044444 k( 85) = ( 0.2073171 0.2073171 0.0000000), wk = 0.0044444 k( 86) = ( 0.1951219 0.1951219 0.0000000), wk = 0.0044444 k( 87) = ( 0.1829268 0.1829268 0.0000000), wk = 0.0044444 k( 88) = ( 0.1707317 0.1707317 0.0000000), wk = 0.0044444 k( 89) = ( 0.1585366 0.1585366 0.0000000), wk = 0.0044444 k( 90) = ( 0.1463415 0.1463415 0.0000000), wk = 0.0044444 k( 91) = ( 0.1341463 0.1341463 0.0000000), wk = 0.0044444 k( 92) = ( 0.1219512 0.1219512 0.0000000), wk = 0.0044444 k( 93) = ( 0.1097561 0.1097561 0.0000000), wk = 0.0044444 k( 94) = ( 0.0975610 0.0975610 0.0000000), wk = 0.0044444 k( 95) = ( 0.0853658 0.0853658 0.0000000), wk = 0.0044444 k( 96) = ( 0.0731707 0.0731707 0.0000000), wk = 0.0044444 k( 97) = ( 0.0609756 0.0609756 0.0000000), wk = 0.0044444 k( 98) = ( 0.0487805 0.0487805 0.0000000), wk = 0.0044444 k( 99) = ( 0.0365854 0.0365854 0.0000000), wk = 0.0044444 k( 100) = ( 0.0243902 0.0243902 0.0000000), wk = 0.0044444 k( 101) = ( 0.0121951 0.0121951 0.0000000), wk = 0.0044444 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 104) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0044444 k( 105) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0044444 k( 106) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0044444 k( 107) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0044444 k( 108) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0044444 k( 109) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0044444 k( 110) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0044444 k( 111) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0044444 k( 112) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0044444 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0044444 k( 114) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0044444 k( 115) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0044444 k( 116) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0044444 k( 117) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0044444 k( 118) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0044444 k( 119) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0044444 k( 120) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0044444 k( 121) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0044444 k( 122) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0044444 k( 123) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0044444 k( 124) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0044444 k( 125) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0044444 k( 126) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0044444 k( 127) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0044444 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044444 k( 129) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0044444 k( 130) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0044444 k( 131) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0044444 k( 132) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0044444 k( 133) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0044444 k( 134) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0044444 k( 135) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0044444 k( 136) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0044444 k( 137) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0044444 k( 138) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0044444 k( 139) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0044444 k( 140) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0044444 k( 141) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0044444 k( 142) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0044444 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0044444 k( 144) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0044444 k( 145) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0044444 k( 146) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0044444 k( 147) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0044444 k( 148) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0044444 k( 149) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0044444 k( 150) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0044444 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0044444 k( 152) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0044444 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 155) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044444 k( 156) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044444 k( 157) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044444 k( 158) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044444 k( 159) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044444 k( 160) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044444 k( 161) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044444 k( 162) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044444 k( 163) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044444 k( 164) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044444 k( 165) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044444 k( 166) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044444 k( 167) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044444 k( 168) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044444 k( 169) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044444 k( 170) = ( 0.3048781 0.5000000 0.3048781), wk = 0.0044444 k( 171) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044444 k( 172) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044444 k( 173) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044444 k( 174) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044444 k( 175) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044444 k( 176) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044444 k( 177) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044444 k( 178) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044444 k( 179) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044444 k( 180) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044444 k( 181) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044444 k( 182) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044444 k( 183) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044444 k( 184) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044444 k( 185) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044444 k( 186) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044444 k( 187) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044444 k( 188) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044444 k( 189) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044444 k( 190) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044444 k( 191) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044444 k( 192) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044444 k( 193) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044444 k( 194) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044444 k( 195) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 196) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 197) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044444 k( 198) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044444 k( 199) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044444 k( 200) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044444 k( 201) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044444 k( 202) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044444 k( 203) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044444 k( 204) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044444 k( 205) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044444 k( 206) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044444 k( 207) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044444 k( 208) = ( 0.5000000 0.5000000 0.2068966), wk = 0.0044444 k( 209) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044444 k( 210) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044444 k( 211) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044444 k( 212) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044444 k( 213) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044444 k( 214) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044444 k( 215) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044444 k( 216) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044444 k( 217) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044444 k( 218) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044444 k( 219) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044444 k( 220) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044444 k( 221) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044444 k( 222) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044444 k( 223) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044444 k( 224) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044444 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 Dense grid: 82663 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 50541 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.36 Mb ( 278, 84) NL pseudopotentials 0.58 Mb ( 139, 272) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1722) G-vector shells 0.00 Mb ( 425) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.43 Mb ( 278, 336) Each subspace H/S matrix 1.72 Mb ( 336, 336) Each matrix 0.70 Mb ( 272, 2, 84) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./NbCu3S4.save/charge-density.dat Starting wfc are 112 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 51.5 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 61.8 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 71.9 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 82.2 secs Computing kpt #: 5 total cpu time spent up to now is 92.0 secs Computing kpt #: 6 total cpu time spent up to now is 100.4 secs Computing kpt #: 7 total cpu time spent up to now is 107.3 secs Computing kpt #: 8 total cpu time spent up to now is 113.5 secs Computing kpt #: 9 total cpu time spent up to now is 119.7 secs Computing kpt #: 10 total cpu time spent up to now is 125.4 secs Computing kpt #: 11 total cpu time spent up to now is 131.1 secs Computing kpt #: 12 total cpu time spent up to now is 137.6 secs Computing kpt #: 13 total cpu time spent up to now is 143.4 secs Computing kpt #: 14 total cpu time spent up to now is 148.7 secs Computing kpt #: 15 total cpu time spent up to now is 153.7 secs Computing kpt #: 16 total cpu time spent up to now is 159.0 secs Computing kpt #: 17 total cpu time spent up to now is 164.1 secs Computing kpt #: 18 total cpu time spent up to now is 169.3 secs Computing kpt #: 19 total cpu time spent up to now is 174.4 secs Computing kpt #: 20 total cpu time spent up to now is 179.6 secs Computing kpt #: 21 total cpu time spent up to now is 184.9 secs Computing kpt #: 22 total cpu time spent up to now is 190.2 secs Computing kpt #: 23 total cpu time spent up to now is 195.5 secs Computing kpt #: 24 total cpu time spent up to now is 201.2 secs Computing kpt #: 25 total cpu time spent up to now is 206.5 secs Computing kpt #: 26 total cpu time spent up to now is 211.6 secs Computing kpt #: 27 total cpu time spent up to now is 216.6 secs Computing kpt #: 28 total cpu time spent up to now is 221.7 secs Computing kpt #: 29 total cpu time spent up to now is 226.6 secs Computing kpt #: 30 total cpu time spent up to now is 231.8 secs Computing kpt #: 31 total cpu time spent up to now is 236.9 secs Computing kpt #: 32 total cpu time spent up to now is 242.0 secs Computing kpt #: 33 total cpu time spent up to now is 247.2 secs Computing kpt #: 34 total cpu time spent up to now is 252.4 secs Computing kpt #: 35 total cpu time spent up to now is 257.7 secs Computing kpt #: 36 total cpu time spent up to now is 263.0 secs Computing kpt #: 37 total cpu time spent up to now is 268.5 secs Computing kpt #: 38 total cpu time spent up to now is 273.8 secs Computing kpt #: 39 total cpu time spent up to now is 279.1 secs Computing kpt #: 40 total cpu time spent up to now is 284.4 secs Computing kpt #: 41 total cpu time spent up to now is 289.7 secs Computing kpt #: 42 total cpu time spent up to now is 294.8 secs Computing kpt #: 43 total cpu time spent up to now is 300.0 secs Computing kpt #: 44 total cpu time spent up to now is 305.1 secs Computing kpt #: 45 total cpu time spent up to now is 310.3 secs Computing kpt #: 46 total cpu time spent up to now is 315.3 secs Computing kpt #: 47 total cpu time spent up to now is 320.3 secs Computing kpt #: 48 total cpu time spent up to now is 325.1 secs Computing kpt #: 49 total cpu time spent up to now is 329.9 secs Computing kpt #: 50 total cpu time spent up to now is 334.6 secs Computing kpt #: 51 total cpu time spent up to now is 339.2 secs Computing kpt #: 52 total cpu time spent up to now is 344.0 secs Computing kpt #: 53 total cpu time spent up to now is 350.2 secs Computing kpt #: 54 total cpu time spent up to now is 354.9 secs Computing kpt #: 55 total cpu time spent up to now is 359.5 secs Computing kpt #: 56 total cpu time spent up to now is 364.1 secs Computing kpt #: 57 total cpu time spent up to now is 369.0 secs Computing kpt #: 58 total cpu time spent up to now is 373.8 secs Computing kpt #: 59 total cpu time spent up to now is 378.7 secs Computing kpt #: 60 total cpu time spent up to now is 383.2 secs Computing kpt #: 61 total cpu time spent up to now is 387.7 secs Computing kpt #: 62 total cpu time spent up to now is 392.5 secs Computing kpt #: 63 total cpu time spent up to now is 397.3 secs Computing kpt #: 64 total cpu time spent up to now is 402.0 secs Computing kpt #: 65 total cpu time spent up to now is 406.7 secs Computing kpt #: 66 total cpu time spent up to now is 411.2 secs Computing kpt #: 67 total cpu time spent up to now is 415.8 secs Computing kpt #: 68 total cpu time spent up to now is 420.4 secs Computing kpt #: 69 total cpu time spent up to now is 425.0 secs Computing kpt #: 70 total cpu time spent up to now is 429.8 secs Computing kpt #: 71 total cpu time spent up to now is 434.5 secs Computing kpt #: 72 total cpu time spent up to now is 439.2 secs Computing kpt #: 73 total cpu time spent up to now is 443.9 secs Computing kpt #: 74 total cpu time spent up to now is 448.8 secs Computing kpt #: 75 total cpu time spent up to now is 453.6 secs Computing kpt #: 76 total cpu time spent up to now is 458.9 secs Computing kpt #: 77 total cpu time spent up to now is 464.1 secs Computing kpt #: 78 total cpu time spent up to now is 470.2 secs Computing kpt #: 79 total cpu time spent up to now is 476.3 secs Computing kpt #: 80 total cpu time spent up to now is 482.9 secs Computing kpt #: 81 total cpu time spent up to now is 489.2 secs Computing kpt #: 82 total cpu time spent up to now is 495.4 secs Computing kpt #: 83 total cpu time spent up to now is 503.3 secs Computing kpt #: 84 total cpu time spent up to now is 512.1 secs Computing kpt #: 85 total cpu time spent up to now is 517.6 secs Computing kpt #: 86 total cpu time spent up to now is 522.7 secs Computing kpt #: 87 total cpu time spent up to now is 527.9 secs Computing kpt #: 88 total cpu time spent up to now is 534.3 secs Computing kpt #: 89 total cpu time spent up to now is 540.4 secs Computing kpt #: 90 total cpu time spent up to now is 549.4 secs Computing kpt #: 91 total cpu time spent up to now is 557.3 secs Computing kpt #: 92 total cpu time spent up to now is 566.1 secs Computing kpt #: 93 total cpu time spent up to now is 574.9 secs Computing kpt #: 94 total cpu time spent up to now is 583.8 secs Computing kpt #: 95 total cpu time spent up to now is 593.0 secs Computing kpt #: 96 total cpu time spent up to now is 603.5 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 614.3 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 625.2 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 636.0 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 647.3 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 658.1 secs Computing kpt #: 102 total cpu time spent up to now is 663.3 secs Computing kpt #: 103 total cpu time spent up to now is 668.5 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 679.0 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 689.5 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 700.1 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 710.5 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 721.1 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 731.6 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 742.1 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 752.6 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 763.0 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 773.6 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 785.3 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 795.8 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 806.6 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 817.2 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 827.7 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 838.7 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 849.5 secs Computing kpt #: 121 total cpu time spent up to now is 855.6 secs Computing kpt #: 122 total cpu time spent up to now is 861.7 secs Computing kpt #: 123 total cpu time spent up to now is 867.2 secs Computing kpt #: 124 total cpu time spent up to now is 872.5 secs Computing kpt #: 125 total cpu time spent up to now is 878.6 secs Computing kpt #: 126 total cpu time spent up to now is 884.0 secs Computing kpt #: 127 total cpu time spent up to now is 889.4 secs Computing kpt #: 128 total cpu time spent up to now is 894.6 secs Computing kpt #: 129 total cpu time spent up to now is 899.8 secs Computing kpt #: 130 total cpu time spent up to now is 905.0 secs Computing kpt #: 131 total cpu time spent up to now is 910.1 secs Computing kpt #: 132 total cpu time spent up to now is 915.4 secs Computing kpt #: 133 total cpu time spent up to now is 920.6 secs Computing kpt #: 134 total cpu time spent up to now is 925.7 secs Computing kpt #: 135 total cpu time spent up to now is 930.9 secs Computing kpt #: 136 total cpu time spent up to now is 936.0 secs Computing kpt #: 137 total cpu time spent up to now is 941.0 secs Computing kpt #: 138 total cpu time spent up to now is 946.7 secs Computing kpt #: 139 total cpu time spent up to now is 953.0 secs Computing kpt #: 140 total cpu time spent up to now is 958.1 secs Computing kpt #: 141 total cpu time spent up to now is 963.2 secs Computing kpt #: 142 total cpu time spent up to now is 968.3 secs Computing kpt #: 143 total cpu time spent up to now is 973.3 secs Computing kpt #: 144 total cpu time spent up to now is 978.3 secs Computing kpt #: 145 total cpu time spent up to now is 983.3 secs Computing kpt #: 146 total cpu time spent up to now is 988.3 secs Computing kpt #: 147 total cpu time spent up to now is 993.3 secs Computing kpt #: 148 total cpu time spent up to now is 998.3 secs Computing kpt #: 149 total cpu time spent up to now is 1003.2 secs Computing kpt #: 150 total cpu time spent up to now is 1008.1 secs Computing kpt #: 151 total cpu time spent up to now is 1013.0 secs Computing kpt #: 152 total cpu time spent up to now is 1017.9 secs Computing kpt #: 153 total cpu time spent up to now is 1022.6 secs Computing kpt #: 154 total cpu time spent up to now is 1027.3 secs Computing kpt #: 155 total cpu time spent up to now is 1032.3 secs Computing kpt #: 156 total cpu time spent up to now is 1037.2 secs Computing kpt #: 157 total cpu time spent up to now is 1042.1 secs Computing kpt #: 158 total cpu time spent up to now is 1047.2 secs Computing kpt #: 159 total cpu time spent up to now is 1052.0 secs Computing kpt #: 160 total cpu time spent up to now is 1056.9 secs Computing kpt #: 161 total cpu time spent up to now is 1061.7 secs Computing kpt #: 162 total cpu time spent up to now is 1066.5 secs Computing kpt #: 163 total cpu time spent up to now is 1071.2 secs Computing kpt #: 164 total cpu time spent up to now is 1075.8 secs Computing kpt #: 165 total cpu time spent up to now is 1080.5 secs Computing kpt #: 166 total cpu time spent up to now is 1085.2 secs Computing kpt #: 167 total cpu time spent up to now is 1090.4 secs Computing kpt #: 168 total cpu time spent up to now is 1095.5 secs Computing kpt #: 169 total cpu time spent up to now is 1100.2 secs Computing kpt #: 170 total cpu time spent up to now is 1104.8 secs Computing kpt #: 171 total cpu time spent up to now is 1109.6 secs Computing kpt #: 172 total cpu time spent up to now is 1114.2 secs Computing kpt #: 173 total cpu time spent up to now is 1118.9 secs Computing kpt #: 174 total cpu time spent up to now is 1123.5 secs Computing kpt #: 175 total cpu time spent up to now is 1128.1 secs Computing kpt #: 176 total cpu time spent up to now is 1132.9 secs Computing kpt #: 177 total cpu time spent up to now is 1137.6 secs Computing kpt #: 178 total cpu time spent up to now is 1142.2 secs Computing kpt #: 179 total cpu time spent up to now is 1147.0 secs Computing kpt #: 180 total cpu time spent up to now is 1152.0 secs Computing kpt #: 181 total cpu time spent up to now is 1157.1 secs Computing kpt #: 182 total cpu time spent up to now is 1162.1 secs Computing kpt #: 183 total cpu time spent up to now is 1167.3 secs Computing kpt #: 184 total cpu time spent up to now is 1173.8 secs Computing kpt #: 185 total cpu time spent up to now is 1179.1 secs Computing kpt #: 186 total cpu time spent up to now is 1184.5 secs Computing kpt #: 187 total cpu time spent up to now is 1189.8 secs Computing kpt #: 188 total cpu time spent up to now is 1195.1 secs Computing kpt #: 189 total cpu time spent up to now is 1200.4 secs Computing kpt #: 190 total cpu time spent up to now is 1205.8 secs Computing kpt #: 191 total cpu time spent up to now is 1211.0 secs Computing kpt #: 192 total cpu time spent up to now is 1216.2 secs Computing kpt #: 193 total cpu time spent up to now is 1221.4 secs Computing kpt #: 194 total cpu time spent up to now is 1226.5 secs Computing kpt #: 195 total cpu time spent up to now is 1231.9 secs Computing kpt #: 196 total cpu time spent up to now is 1236.5 secs Computing kpt #: 197 total cpu time spent up to now is 1241.0 secs Computing kpt #: 198 total cpu time spent up to now is 1246.4 secs Computing kpt #: 199 total cpu time spent up to now is 1252.2 secs Computing kpt #: 200 total cpu time spent up to now is 1256.7 secs Computing kpt #: 201 total cpu time spent up to now is 1261.3 secs Computing kpt #: 202 total cpu time spent up to now is 1265.9 secs Computing kpt #: 203 total cpu time spent up to now is 1270.4 secs Computing kpt #: 204 total cpu time spent up to now is 1275.0 secs Computing kpt #: 205 total cpu time spent up to now is 1279.7 secs Computing kpt #: 206 total cpu time spent up to now is 1284.3 secs Computing kpt #: 207 total cpu time spent up to now is 1289.0 secs Computing kpt #: 208 total cpu time spent up to now is 1293.6 secs Computing kpt #: 209 total cpu time spent up to now is 1298.5 secs Computing kpt #: 210 total cpu time spent up to now is 1303.2 secs Computing kpt #: 211 total cpu time spent up to now is 1308.0 secs Computing kpt #: 212 total cpu time spent up to now is 1312.7 secs Computing kpt #: 213 total cpu time spent up to now is 1317.6 secs Computing kpt #: 214 total cpu time spent up to now is 1322.6 secs Computing kpt #: 215 total cpu time spent up to now is 1327.5 secs Computing kpt #: 216 total cpu time spent up to now is 1332.3 secs Computing kpt #: 217 total cpu time spent up to now is 1337.2 secs Computing kpt #: 218 total cpu time spent up to now is 1342.1 secs Computing kpt #: 219 total cpu time spent up to now is 1347.0 secs Computing kpt #: 220 total cpu time spent up to now is 1351.9 secs Computing kpt #: 221 total cpu time spent up to now is 1356.8 secs Computing kpt #: 222 total cpu time spent up to now is 1361.7 secs Computing kpt #: 223 total cpu time spent up to now is 1366.6 secs Computing kpt #: 224 total cpu time spent up to now is 1371.4 secs Computing kpt #: 225 total cpu time spent up to now is 1376.1 secs ethr = 1.43E-11, avg # of iterations = 43.4 total cpu time spent up to now is 1376.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -48.6011 -48.6011 -26.2736 -26.2736 -24.2049 -24.2049 -24.2049 -24.2049 -7.1604 -7.1604 -6.1313 -6.1313 -6.0926 -6.0926 -6.0926 -6.0926 0.5027 0.5027 0.5027 0.5027 1.6022 1.6022 2.1460 2.1460 2.1460 2.1460 2.1742 2.1742 2.8433 2.8433 2.8820 2.8820 2.8820 2.8820 3.4756 3.4756 3.5001 3.5001 3.5001 3.5001 3.5491 3.5491 3.5491 3.5491 4.2209 4.2209 4.3318 4.3318 4.3318 4.3318 4.4226 4.4226 4.4226 4.4226 4.4818 4.4818 4.8282 4.8282 4.9465 4.9465 4.9465 4.9465 5.0350 5.0350 5.8927 5.8927 5.8927 5.8927 5.9818 5.9818 8.3768 8.3768 8.3768 8.3768 8.3886 8.3886 8.4484 8.4484 8.4484 8.4484 8.4928 8.4928 12.1276 12.1276 k = 0.0000 0.0172-0.0000 ( 6347 PWs) bands (ev): -48.6011 -48.6011 -26.2736 -26.2736 -24.2049 -24.2049 -24.2049 -24.2049 -7.1597 -7.1597 -6.1316 -6.1316 -6.0931 -6.0931 -6.0926 -6.0926 0.5032 0.5032 0.5040 0.5040 1.6029 1.6029 2.1451 2.1451 2.1466 2.1466 2.1740 2.1740 2.8427 2.8427 2.8806 2.8806 2.8819 2.8819 3.4728 3.4728 3.4944 3.4944 3.5003 3.5003 3.5488 3.5488 3.5581 3.5581 4.2203 4.2203 4.3239 4.3239 4.3392 4.3392 4.4173 4.4173 4.4278 4.4278 4.4815 4.4815 4.8283 4.8283 4.9431 4.9431 4.9494 4.9494 5.0349 5.0349 5.8905 5.8905 5.8927 5.8927 5.9807 5.9807 8.3686 8.3686 8.3790 8.3790 8.3893 8.3893 8.4385 8.4385 8.4503 8.4503 8.5144 8.5144 12.1251 12.1252 k = 0.0000 0.0345-0.0000 ( 6323 PWs) bands (ev): -48.6010 -48.6010 -26.2735 -26.2735 -24.2049 -24.2049 -24.2049 -24.2049 -7.1579 -7.1579 -6.1323 -6.1323 -6.0945 -6.0945 -6.0926 -6.0926 0.5051 0.5051 0.5078 0.5078 1.6049 1.6049 2.1428 2.1428 2.1479 2.1479 2.1739 2.1739 2.8406 2.8406 2.8773 2.8773 2.8812 2.8812 3.4615 3.4615 3.4878 3.4878 3.5004 3.5004 3.5503 3.5503 3.5753 3.5753 4.2186 4.2186 4.3158 4.3158 4.3457 4.3457 4.4119 4.4119 4.4330 4.4330 4.4810 4.4810 4.8285 4.8285 4.9392 4.9392 4.9522 4.9522 5.0345 5.0345 5.8849 5.8849 5.8920 5.8920 5.9776 5.9776 8.3483 8.3483 8.3820 8.3820 8.3923 8.3923 8.4325 8.4325 8.4538 8.4538 8.5557 8.5557 12.1180 12.1180 k = 0.0000 0.0517-0.0000 ( 6331 PWs) bands (ev): -48.6010 -48.6010 -26.2736 -26.2736 -24.2050 -24.2050 -24.2049 -24.2049 -7.1548 -7.1548 -6.1337 -6.1337 -6.0967 -6.0967 -6.0926 -6.0926 0.5081 0.5081 0.5142 0.5142 1.6082 1.6082 2.1384 2.1384 2.1497 2.1497 2.1739 2.1739 2.8367 2.8367 2.8723 2.8723 2.8800 2.8800 3.4427 3.4427 3.4853 3.4853 3.5005 3.5005 3.5529 3.5529 3.5956 3.5956 4.2156 4.2156 4.3077 4.3077 4.3507 4.3507 4.4067 4.4067 4.4381 4.4381 4.4802 4.4802 4.8287 4.8287 4.9345 4.9345 4.9550 4.9550 5.0339 5.0339 5.8752 5.8752 5.8906 5.8906 5.9727 5.9727 8.3214 8.3214 8.3864 8.3864 8.3978 8.3978 8.4348 8.4348 8.4597 8.4597 8.6047 8.6047 12.1065 12.1065 k = 0.0000 0.0690-0.0000 ( 6319 PWs) bands (ev): -48.6009 -48.6009 -26.2736 -26.2736 -24.2050 -24.2050 -24.2049 -24.2049 -7.1505 -7.1505 -6.1360 -6.1360 -6.0995 -6.0995 -6.0926 -6.0926 0.5124 0.5124 0.5230 0.5230 1.6128 1.6128 2.1314 2.1314 2.1522 2.1522 2.1748 2.1748 2.8302 2.8302 2.8664 2.8664 2.8784 2.8784 3.4206 3.4206 3.4844 3.4844 3.5007 3.5007 3.5565 3.5565 3.6170 3.6170 4.2114 4.2114 4.3001 4.3001 4.3537 4.3537 4.4019 4.4019 4.4432 4.4432 4.4794 4.4794 4.8286 4.8286 4.9291 4.9291 4.9580 4.9580 5.0331 5.0331 5.8614 5.8614 5.8889 5.8889 5.9667 5.9667 8.2932 8.2932 8.3923 8.3923 8.4057 8.4057 8.4422 8.4422 8.4678 8.4678 8.6592 8.6592 12.0908 12.0908 k = 0.0000 0.0862-0.0000 ( 6323 PWs) bands (ev): -48.6010 -48.6010 -26.2736 -26.2736 -24.2051 -24.2051 -24.2049 -24.2049 -7.1450 -7.1450 -6.1394 -6.1394 -6.1026 -6.1026 -6.0926 -6.0926 0.5177 0.5177 0.5344 0.5344 1.6188 1.6188 2.1218 2.1218 2.1553 2.1553 2.1767 2.1767 2.8206 2.8206 2.8606 2.8606 2.8764 2.8764 3.3967 3.3967 3.4840 3.4840 3.5010 3.5010 3.5609 3.5609 3.6391 3.6391 4.2058 4.2058 4.2931 4.2931 4.3539 4.3539 4.3982 4.3982 4.4480 4.4480 4.4790 4.4790 4.8281 4.8281 4.9228 4.9228 4.9613 4.9613 5.0322 5.0322 5.8434 5.8434 5.8867 5.8867 5.9600 5.9600 8.2655 8.2655 8.3994 8.3994 8.4159 8.4159 8.4530 8.4530 8.4782 8.4782 8.7186 8.7186 12.0715 12.0715 k = 0.0000 0.1034-0.0000 ( 6327 PWs) bands (ev): -48.6010 -48.6010 -26.2736 -26.2736 -24.2052 -24.2052 -24.2049 -24.2049 -7.1383 -7.1383 -6.1443 -6.1443 -6.1055 -6.1055 -6.0927 -6.0927 0.5243 0.5243 0.5481 0.5481 1.6261 1.6261 2.1097 2.1097 2.1591 2.1591 2.1795 2.1795 2.8074 2.8074 2.8553 2.8553 2.8739 2.8739 3.3716 3.3716 3.4838 3.4838 3.5014 3.5014 3.5659 3.5659 3.6616 3.6616 4.1989 4.1989 4.2867 4.2867 4.3509 4.3509 4.3960 4.3960 4.4520 4.4520 4.4793 4.4793 4.8269 4.8269 4.9158 4.9158 4.9651 4.9651 5.0311 5.0311 5.8214 5.8214 5.8841 5.8841 5.9530 5.9530 8.2390 8.2390 8.4074 8.4074 8.4281 8.4281 8.4664 8.4664 8.4907 8.4907 8.7826 8.7826 12.0491 12.0491 k = 0.0000 0.1207-0.0000 ( 6315 PWs) bands (ev): -48.6009 -48.6009 -26.2737 -26.2737 -24.2053 -24.2053 -24.2049 -24.2049 -7.1304 -7.1304 -6.1509 -6.1509 -6.1080 -6.1080 -6.0927 -6.0927 0.5319 0.5319 0.5643 0.5643 1.6347 1.6347 2.0952 2.0952 2.1635 2.1635 2.1832 2.1832 2.7909 2.7909 2.8505 2.8505 2.8710 2.8710 3.3452 3.3452 3.4836 3.4836 3.5018 3.5018 3.5716 3.5716 3.6846 3.6846 4.1908 4.1908 4.2812 4.2812 4.3448 4.3448 4.3953 4.3953 4.4550 4.4550 4.4809 4.4809 4.8249 4.8249 4.9081 4.9081 4.9694 4.9694 5.0299 5.0299 5.7959 5.7959 5.8812 5.8812 5.9459 5.9459 8.2138 8.2138 8.4163 8.4163 8.4422 8.4422 8.4820 8.4820 8.5052 8.5052 8.8508 8.8508 12.0241 12.0241 k = 0.0000 0.1379-0.0000 ( 6331 PWs) bands (ev): -48.6010 -48.6010 -26.2737 -26.2737 -24.2054 -24.2054 -24.2049 -24.2049 -7.1215 -7.1215 -6.1594 -6.1594 -6.1100 -6.1100 -6.0927 -6.0927 0.5405 0.5405 0.5828 0.5828 1.6446 1.6446 2.0786 2.0786 2.1685 2.1685 2.1876 2.1876 2.7716 2.7716 2.8460 2.8460 2.8678 2.8678 3.3175 3.3175 3.4834 3.4834 3.5024 3.5024 3.5777 3.5777 3.7079 3.7079 4.1817 4.1817 4.2763 4.2763 4.3363 4.3363 4.3953 4.3953 4.4566 4.4566 4.4838 4.4838 4.8220 4.8220 4.8997 4.8997 4.9743 4.9743 5.0287 5.0287 5.7674 5.7674 5.8781 5.8781 5.9388 5.9388 8.1897 8.1897 8.4258 8.4258 8.4579 8.4579 8.4995 8.4995 8.5215 8.5215 8.9229 8.9229 11.9973 11.9973 k = 0.0000 0.1552-0.0000 ( 6331 PWs) bands (ev): -48.6010 -48.6010 -26.2737 -26.2737 -24.2055 -24.2055 -24.2049 -24.2049 -7.1114 -7.1114 -6.1695 -6.1695 -6.1116 -6.1116 -6.0928 -6.0928 0.5502 0.5502 0.6035 0.6035 1.6557 1.6557 2.0600 2.0600 2.1740 2.1740 2.1926 2.1926 2.7500 2.7500 2.8417 2.8417 2.8642 2.8642 3.2885 3.2885 3.4833 3.4833 3.5030 3.5030 3.5842 3.5842 3.7316 3.7316 4.1718 4.1718 4.2720 4.2720 4.3264 4.3264 4.3957 4.3957 4.4570 4.4570 4.4878 4.4878 4.8182 4.8182 4.8908 4.8908 4.9796 4.9796 5.0276 5.0276 5.7364 5.7364 5.8747 5.8747 5.9317 5.9317 8.1669 8.1669 8.4358 8.4358 8.4749 8.4749 8.5186 8.5186 8.5394 8.5394 8.9986 8.9986 11.9693 11.9693 k = 0.0000 0.1724-0.0000 ( 6311 PWs) bands (ev): -48.6009 -48.6009 -26.2738 -26.2738 -24.2056 -24.2056 -24.2049 -24.2049 -7.1003 -7.1003 -6.1813 -6.1813 -6.1127 -6.1127 -6.0928 -6.0928 0.5607 0.5607 0.6264 0.6264 1.6681 1.6681 2.0397 2.0397 2.1800 2.1800 2.1982 2.1982 2.7264 2.7264 2.8373 2.8373 2.8604 2.8604 3.2581 3.2581 3.4833 3.4833 3.5038 3.5038 3.5910 3.5910 3.7555 3.7555 4.1615 4.1615 4.2681 4.2681 4.3156 4.3156 4.3960 4.3960 4.4567 4.4567 4.4921 4.4921 4.8135 4.8135 4.8815 4.8815 4.9852 4.9852 5.0267 5.0267 5.7037 5.7037 5.8712 5.8712 5.9247 5.9247 8.1453 8.1453 8.4461 8.4461 8.4930 8.4930 8.5391 8.5391 8.5587 8.5587 9.0777 9.0777 11.9405 11.9405 k = 0.0000 0.1897-0.0000 ( 6311 PWs) bands (ev): -48.6009 -48.6009 -26.2738 -26.2738 -24.2057 -24.2057 -24.2049 -24.2049 -7.0882 -7.0882 -6.1944 -6.1944 -6.1135 -6.1135 -6.0929 -6.0929 0.5720 0.5720 0.6513 0.6513 1.6815 1.6815 2.0179 2.0179 2.1864 2.1864 2.2043 2.2043 2.7013 2.7013 2.8329 2.8329 2.8562 2.8562 3.2263 3.2263 3.4832 3.4832 3.5046 3.5046 3.5978 3.5978 3.7798 3.7798 4.1509 4.1509 4.2645 4.2645 4.3041 4.3041 4.3959 4.3959 4.4560 4.4560 4.4964 4.4964 4.8080 4.8080 4.8720 4.8720 4.9910 4.9910 5.0260 5.0260 5.6696 5.6696 5.8677 5.8677 5.9178 5.9178 8.1247 8.1247 8.4567 8.4567 8.5119 8.5119 8.5605 8.5605 8.5790 8.5790 9.1596 9.1596 11.9116 11.9116 k = 0.0000 0.2069-0.0000 ( 6323 PWs) bands (ev): -48.6009 -48.6009 -26.2739 -26.2739 -24.2059 -24.2059 -24.2049 -24.2049 -7.0751 -7.0751 -6.2088 -6.2088 -6.1141 -6.1141 -6.0929 -6.0929 0.5841 0.5841 0.6782 0.6782 1.6958 1.6958 1.9949 1.9949 2.1932 2.1932 2.2107 2.2107 2.6750 2.6750 2.8283 2.8283 2.8519 2.8519 3.1930 3.1930 3.4832 3.4832 3.5054 3.5054 3.6048 3.6048 3.8043 3.8043 4.1403 4.1403 4.2609 4.2609 4.2924 4.2924 4.3953 4.3953 4.4550 4.4550 4.5000 4.5000 4.8019 4.8019 4.8623 4.8623 4.9968 4.9968 5.0257 5.0257 5.6348 5.6348 5.8641 5.8641 5.9111 5.9111 8.1052 8.1052 8.4673 8.4673 8.5314 8.5314 8.5827 8.5827 8.6001 8.6001 9.2440 9.2440 11.8828 11.8828 k = 0.0000 0.2241-0.0000 ( 6327 PWs) bands (ev): -48.6009 -48.6009 -26.2739 -26.2739 -24.2060 -24.2060 -24.2049 -24.2049 -7.0612 -7.0612 -6.2242 -6.2242 -6.1145 -6.1145 -6.0930 -6.0930 0.5968 0.5968 0.7069 0.7069 1.7107 1.7107 1.9712 1.9712 2.2004 2.2004 2.2175 2.2175 2.6478 2.6478 2.8236 2.8236 2.8473 2.8473 3.1582 3.1582 3.4832 3.4832 3.5063 3.5063 3.6117 3.6117 3.8291 3.8291 4.1297 4.1297 4.2574 4.2574 4.2808 4.2808 4.3943 4.3943 4.4539 4.4539 4.5028 4.5028 4.7953 4.7953 4.8527 4.8527 5.0024 5.0024 5.0261 5.0261 5.5996 5.5996 5.8604 5.8604 5.9045 5.9045 8.0867 8.0867 8.4779 8.4779 8.5513 8.5513 8.6054 8.6054 8.6217 8.6217 9.3303 9.3303 11.8546 11.8546 k = 0.0000 0.2414-0.0000 ( 6319 PWs) bands (ev): -48.6009 -48.6009 -26.2740 -26.2740 -24.2062 -24.2062 -24.2049 -24.2049 -7.0465 -7.0465 -6.2406 -6.2406 -6.1148 -6.1148 -6.0930 -6.0930 0.6100 0.6100 0.7374 0.7374 1.7253 1.7253 1.9477 1.9477 2.2077 2.2077 2.2244 2.2244 2.6200 2.6200 2.8189 2.8189 2.8426 2.8426 3.1221 3.1221 3.4832 3.4832 3.5073 3.5073 3.6187 3.6187 3.8541 3.8541 4.1194 4.1194 4.2538 4.2538 4.2695 4.2695 4.3929 4.3929 4.4529 4.4529 4.5045 4.5045 4.7884 4.7884 4.8432 4.8432 5.0077 5.0077 5.0273 5.0273 5.5645 5.5645 5.8569 5.8569 5.8983 5.8983 8.0693 8.0693 8.4885 8.4885 8.5713 8.5713 8.6282 8.6282 8.6433 8.6433 9.4182 9.4182 11.8272 11.8272 k = 0.0000 0.2586-0.0000 ( 6319 PWs) bands (ev): -48.6009 -48.6009 -26.2740 -26.2740 -24.2063 -24.2063 -24.2049 -24.2049 -7.0310 -7.0310 -6.2579 -6.2579 -6.1151 -6.1151 -6.0931 -6.0931 0.6235 0.6235 0.7694 0.7694 1.7386 1.7386 1.9256 1.9256 2.2152 2.2152 2.2316 2.2316 2.5920 2.5920 2.8141 2.8141 2.8379 2.8379 3.0846 3.0846 3.4832 3.4832 3.5083 3.5083 3.6254 3.6254 3.8793 3.8793 4.1095 4.1095 4.2495 4.2495 4.2592 4.2592 4.3909 4.3909 4.4517 4.4517 4.5050 4.5050 4.7814 4.7814 4.8339 4.8339 5.0123 5.0123 5.0296 5.0296 5.5298 5.5298 5.8534 5.8534 5.8924 5.8924 8.0528 8.0528 8.4989 8.4989 8.5911 8.5911 8.6510 8.6510 8.6649 8.6649 9.5071 9.5071 11.8007 11.8007 k = 0.0000 0.2759-0.0000 ( 6323 PWs) bands (ev): -48.6009 -48.6009 -26.2741 -26.2741 -24.2064 -24.2064 -24.2049 -24.2049 -7.0149 -7.0149 -6.2758 -6.2758 -6.1152 -6.1152 -6.0931 -6.0931 0.6373 0.6373 0.8029 0.8029 1.7479 1.7479 1.9076 1.9076 2.2228 2.2228 2.2388 2.2388 2.5639 2.5639 2.8093 2.8093 2.8331 2.8331 3.0459 3.0459 3.4833 3.4833 3.5094 3.5094 3.6319 3.6319 3.9045 3.9045 4.1000 4.1000 4.2430 4.2430 4.2515 4.2515 4.3883 4.3883 4.4505 4.4505 4.5039 4.5039 4.7745 4.7745 4.8250 4.8250 5.0164 5.0164 5.0330 5.0330 5.4958 5.4958 5.8500 5.8500 5.8868 5.8868 8.0374 8.0374 8.5090 8.5090 8.6106 8.6106 8.6733 8.6733 8.6861 8.6861 9.5963 9.5963 11.7753 11.7753 k = 0.0000 0.2931-0.0000 ( 6311 PWs) bands (ev): -48.6008 -48.6008 -26.2741 -26.2741 -24.2066 -24.2066 -24.2049 -24.2049 -6.9983 -6.9983 -6.2942 -6.2942 -6.1153 -6.1153 -6.0932 -6.0932 0.6512 0.6512 0.8378 0.8378 1.7496 1.7496 1.8974 1.8974 2.2304 2.2304 2.2460 2.2460 2.5363 2.5363 2.8045 2.8045 2.8283 2.8283 3.0062 3.0062 3.4834 3.4834 3.5105 3.5105 3.6381 3.6381 3.9298 3.9298 4.0911 4.0911 4.2341 4.2341 4.2468 4.2468 4.3853 4.3853 4.4492 4.4492 4.5013 4.5013 4.7677 4.7677 4.8165 4.8165 5.0202 5.0202 5.0373 5.0373 5.4627 5.4627 5.8468 5.8468 5.8817 5.8817 8.0231 8.0231 8.5188 8.5188 8.6296 8.6296 8.6950 8.6950 8.7066 8.7066 9.6855 9.6855 11.7511 11.7511 k = 0.0000 0.3103-0.0000 ( 6323 PWs) bands (ev): -48.6009 -48.6009 -26.2742 -26.2742 -24.2067 -24.2067 -24.2049 -24.2049 -6.9814 -6.9814 -6.3130 -6.3130 -6.1154 -6.1154 -6.0932 -6.0932 0.6650 0.6650 0.8737 0.8737 1.7405 1.7405 1.8982 1.8982 2.2379 2.2379 2.2531 2.2531 2.5093 2.5093 2.7997 2.7997 2.8236 2.8236 2.9656 2.9656 3.4835 3.4835 3.5115 3.5115 3.6441 3.6441 3.9549 3.9549 4.0828 4.0828 4.2248 4.2248 4.2430 4.2430 4.3817 4.3817 4.4480 4.4480 4.4972 4.4972 4.7612 4.7612 4.8085 4.8085 5.0242 5.0242 5.0420 5.0420 5.4307 5.4307 5.8437 5.8437 5.8770 5.8770 8.0098 8.0098 8.5281 8.5281 8.6477 8.6477 8.7158 8.7158 8.7262 8.7262 9.7737 9.7737 11.7281 11.7281 k = 0.0000 0.3276-0.0000 ( 6311 PWs) bands (ev): -48.6008 -48.6008 -26.2742 -26.2742 -24.2068 -24.2068 -24.2049 -24.2049 -6.9642 -6.9642 -6.3320 -6.3320 -6.1155 -6.1155 -6.0933 -6.0933 0.6785 0.6785 0.9106 0.9106 1.7213 1.7213 1.9094 1.9094 2.2452 2.2452 2.2600 2.2600 2.4832 2.4832 2.7950 2.7950 2.8190 2.8190 2.9247 2.9247 3.4836 3.4836 3.5126 3.5126 3.6497 3.6497 3.9799 3.9799 4.0751 4.0751 4.2160 4.2160 4.2396 4.2396 4.3777 4.3777 4.4468 4.4468 4.4916 4.4916 4.7550 4.7550 4.8010 4.8010 5.0286 5.0286 5.0471 5.0471 5.4000 5.4000 5.8408 5.8408 5.8728 5.8728 7.9976 7.9976 8.5370 8.5370 8.6649 8.6649 8.7355 8.7355 8.7448 8.7448 9.8605 9.8605 11.7062 11.7062 k = 0.0000 0.3448-0.0000 ( 6311 PWs) bands (ev): -48.6008 -48.6008 -26.2743 -26.2743 -24.2070 -24.2070 -24.2049 -24.2049 -6.9470 -6.9470 -6.3509 -6.3509 -6.1155 -6.1155 -6.0933 -6.0933 0.6916 0.6916 0.9483 0.9483 1.6953 1.6953 1.9275 1.9275 2.2522 2.2522 2.2666 2.2666 2.4584 2.4584 2.7902 2.7902 2.8146 2.8146 2.8838 2.8838 3.4837 3.4837 3.5136 3.5136 3.6549 3.6549 4.0046 4.0046 4.0681 4.0681 4.2078 4.2078 4.2363 4.2363 4.3732 4.3732 4.4456 4.4456 4.4847 4.4847 4.7493 4.7493 4.7940 4.7940 5.0334 5.0334 5.0526 5.0526 5.3706 5.3706 5.8381 5.8381 5.8691 5.8691 7.9865 7.9865 8.5453 8.5453 8.6810 8.6810 8.7539 8.7539 8.7620 8.7620 9.9448 9.9448 11.6853 11.6853 k = 0.0000 0.3621-0.0000 ( 6323 PWs) bands (ev): -48.6009 -48.6009 -26.2743 -26.2743 -24.2071 -24.2071 -24.2049 -24.2049 -6.9299 -6.9299 -6.3695 -6.3695 -6.1155 -6.1155 -6.0934 -6.0934 0.7040 0.7040 0.9864 0.9864 1.6651 1.6651 1.9498 1.9498 2.2588 2.2588 2.2728 2.2728 2.4352 2.4352 2.7851 2.7851 2.8104 2.8104 2.8438 2.8438 3.4839 3.4839 3.5146 3.5146 3.6597 3.6597 4.0287 4.0287 4.0619 4.0619 4.2004 4.2004 4.2331 4.2331 4.3682 4.3682 4.4444 4.4444 4.4767 4.4767 4.7441 4.7441 4.7877 4.7877 5.0384 5.0384 5.0585 5.0585 5.3427 5.3427 5.8356 5.8356 5.8658 5.8658 7.9766 7.9766 8.5530 8.5530 8.6958 8.6958 8.7708 8.7708 8.7778 8.7778 10.0258 10.0258 11.6655 11.6655 k = 0.0000 0.3793-0.0000 ( 6319 PWs) bands (ev): -48.6009 -48.6009 -26.2743 -26.2743 -24.2072 -24.2072 -24.2049 -24.2049 -6.9134 -6.9134 -6.3875 -6.3875 -6.1155 -6.1155 -6.0934 -6.0934 0.7156 0.7156 1.0249 1.0249 1.6326 1.6326 1.9742 1.9742 2.2650 2.2650 2.2785 2.2785 2.4139 2.4139 2.7775 2.7775 2.8045 2.8045 2.8095 2.8095 3.4840 3.4840 3.5155 3.5155 3.6641 3.6641 4.0509 4.0509 4.0576 4.0576 4.1940 4.1940 4.2302 4.2302 4.3628 4.3628 4.4430 4.4430 4.4681 4.4681 4.7395 4.7395 4.7819 4.7819 5.0434 5.0434 5.0652 5.0652 5.3162 5.3162 5.8334 5.8334 5.8629 5.8629 7.9677 7.9677 8.5599 8.5599 8.7092 8.7092 8.7860 8.7860 8.7920 8.7920 10.1025 10.1025 11.6467 11.6467 k = 0.0000 0.3966-0.0000 ( 6311 PWs) bands (ev): -48.6008 -48.6008 -26.2744 -26.2744 -24.2073 -24.2073 -24.2049 -24.2049 -6.8976 -6.8976 -6.4046 -6.4046 -6.1155 -6.1155 -6.0935 -6.0935 0.7262 0.7262 1.0633 1.0633 1.5988 1.5988 1.9996 1.9996 2.2706 2.2706 2.2837 2.2837 2.3947 2.3947 2.7557 2.7557 2.7867 2.7867 2.8035 2.8035 3.4842 3.4842 3.5164 3.5164 3.6679 3.6679 4.0508 4.0508 4.0751 4.0751 4.1886 4.1886 4.2277 4.2277 4.3569 4.3569 4.4414 4.4414 4.4596 4.4596 4.7355 4.7355 4.7769 4.7769 5.0479 5.0479 5.0730 5.0730 5.2913 5.2913 5.8314 5.8314 5.8606 5.8606 7.9601 7.9601 8.5661 8.5661 8.7210 8.7210 8.7995 8.7995 8.8045 8.8045 10.1736 10.1736 11.6289 11.6289 k = 0.0000 0.4138-0.0000 ( 6323 PWs) bands (ev): -48.6009 -48.6009 -26.2744 -26.2744 -24.2074 -24.2074 -24.2050 -24.2050 -6.8829 -6.8829 -6.4203 -6.4203 -6.1155 -6.1155 -6.0935 -6.0935 0.7355 0.7355 1.1011 1.1011 1.5645 1.5645 2.0247 2.0247 2.2754 2.2754 2.2882 2.2882 2.3780 2.3780 2.7226 2.7226 2.7805 2.7805 2.8004 2.8004 3.4843 3.4843 3.5171 3.5171 3.6712 3.6712 4.0468 4.0468 4.0957 4.0957 4.1845 4.1845 4.2254 4.2254 4.3505 4.3505 4.4388 4.4388 4.4521 4.4521 4.7320 4.7320 4.7724 4.7724 5.0517 5.0517 5.0821 5.0821 5.2680 5.2680 5.8297 5.8297 5.8586 5.8586 7.9535 7.9535 8.5715 8.5715 8.7312 8.7312 8.8112 8.8112 8.8152 8.8152 10.2379 10.2379 11.6123 11.6123 k = 0.0000 0.4310-0.0000 ( 6319 PWs) bands (ev): -48.6009 -48.6009 -26.2744 -26.2744 -24.2074 -24.2074 -24.2050 -24.2050 -6.8699 -6.8699 -6.4343 -6.4343 -6.1155 -6.1155 -6.0935 -6.0935 0.7434 0.7434 1.1377 1.1377 1.5307 1.5307 2.0484 2.0484 2.2796 2.2796 2.2920 2.2920 2.3640 2.3640 2.6906 2.6906 2.7771 2.7771 2.7978 2.7978 3.4844 3.4844 3.5178 3.5178 3.6740 3.6740 4.0434 4.0434 4.1141 4.1141 4.1819 4.1819 4.2235 4.2235 4.3437 4.3437 4.4344 4.4344 4.4474 4.4474 4.7291 4.7291 4.7688 4.7688 5.0547 5.0547 5.0922 5.0922 5.2464 5.2464 5.8282 5.8282 5.8570 5.8570 7.9482 7.9482 8.5759 8.5759 8.7397 8.7397 8.8208 8.8208 8.8240 8.8240 10.2937 10.2937 11.5972 11.5972 k = 0.0000 0.4483-0.0000 ( 6343 PWs) bands (ev): -48.6010 -48.6010 -26.2745 -26.2745 -24.2075 -24.2075 -24.2050 -24.2050 -6.8590 -6.8590 -6.4459 -6.4459 -6.1155 -6.1155 -6.0936 -6.0936 0.7497 0.7497 1.1719 1.1719 1.4985 1.4985 2.0693 2.0693 2.2828 2.2828 2.2950 2.2950 2.3528 2.3528 2.6628 2.6628 2.7746 2.7746 2.7957 2.7957 3.4845 3.4845 3.5183 3.5183 3.6761 3.6761 4.0407 4.0407 4.1289 4.1289 4.1811 4.1811 4.2222 4.2222 4.3368 4.3368 4.4290 4.4290 4.4450 4.4450 4.7269 4.7269 4.7659 4.7659 5.0570 5.0570 5.1030 5.1030 5.2268 5.2268 5.8270 5.8270 5.8557 5.8557 7.9440 7.9440 8.5795 8.5795 8.7463 8.7463 8.8285 8.8285 8.8308 8.8308 10.3394 10.3394 11.5843 11.5843 k = 0.0000 0.4655-0.0000 ( 6342 PWs) bands (ev): -48.6010 -48.6010 -26.2745 -26.2745 -24.2075 -24.2075 -24.2050 -24.2050 -6.8507 -6.8507 -6.4547 -6.4547 -6.1155 -6.1155 -6.0936 -6.0936 0.7544 0.7544 1.2016 1.2016 1.4703 1.4703 2.0859 2.0859 2.2853 2.2853 2.2972 2.2972 2.3448 2.3448 2.6412 2.6412 2.7730 2.7730 2.7942 2.7942 3.4846 3.4846 3.5187 3.5187 3.6777 3.6777 4.0388 4.0388 4.1391 4.1391 4.1824 4.1824 4.2213 4.2213 4.3306 4.3306 4.4242 4.4242 4.4439 4.4439 4.7253 4.7253 4.7638 4.7638 5.0586 5.0586 5.1138 5.1138 5.2100 5.2100 5.8262 5.8262 5.8549 5.8549 7.9411 7.9411 8.5820 8.5820 8.7511 8.7511 8.8341 8.8341 8.8357 8.8357 10.3736 10.3736 11.5741 11.5741 k = 0.0000 0.4828-0.0000 ( 6358 PWs) bands (ev): -48.6011 -48.6011 -26.2745 -26.2745 -24.2075 -24.2075 -24.2050 -24.2050 -6.8455 -6.8455 -6.4602 -6.4602 -6.1155 -6.1155 -6.0936 -6.0936 0.7572 0.7572 1.2231 1.2231 1.4496 1.4496 2.0967 2.0967 2.2868 2.2868 2.2985 2.2985 2.3399 2.3399 2.6274 2.6274 2.7720 2.7720 2.7932 2.7932 3.4846 3.4846 3.5189 3.5189 3.6786 3.6786 4.0376 4.0376 4.1444 4.1444 4.1846 4.1846 4.2210 4.2210 4.3260 4.3260 4.4211 4.4211 4.4434 4.4434 4.7244 4.7244 4.7625 4.7625 5.0594 5.0594 5.1226 5.1226 5.1975 5.1975 5.8257 5.8257 5.8544 5.8544 7.9392 7.9392 8.5835 8.5835 8.7539 8.7539 8.8375 8.8375 8.8385 8.8385 10.3947 10.3947 11.5677 11.5677 k = 0.0000 0.5000-0.0000 ( 6382 PWs) bands (ev): -48.6012 -48.6012 -26.2745 -26.2745 -24.2076 -24.2076 -24.2050 -24.2050 -6.8438 -6.8438 -6.4621 -6.4621 -6.1155 -6.1155 -6.0936 -6.0936 0.7581 0.7581 1.2313 1.2313 1.4418 1.4418 2.1004 2.1004 2.2873 2.2873 2.2990 2.2990 2.3382 2.3382 2.6226 2.6226 2.7716 2.7716 2.7929 2.7929 3.4846 3.4846 3.5190 3.5190 3.6789 3.6789 4.0372 4.0372 4.1459 4.1459 4.1856 4.1856 4.2208 4.2208 4.3242 4.3242 4.4199 4.4199 4.4431 4.4431 4.7240 4.7240 4.7620 4.7620 5.0597 5.0597 5.1262 5.1262 5.1926 5.1926 5.8256 5.8256 5.8542 5.8542 7.9386 7.9386 8.5840 8.5840 8.7549 8.7549 8.8388 8.8388 8.8393 8.8393 10.4018 10.4018 11.5654 11.5654 k = 0.0000 0.5000-0.0000 ( 6382 PWs) bands (ev): -48.6012 -48.6012 -26.2745 -26.2745 -24.2076 -24.2076 -24.2050 -24.2050 -6.8438 -6.8438 -6.4621 -6.4621 -6.1155 -6.1155 -6.0936 -6.0936 0.7581 0.7581 1.2313 1.2313 1.4418 1.4418 2.1004 2.1004 2.2873 2.2873 2.2990 2.2990 2.3382 2.3382 2.6226 2.6226 2.7716 2.7716 2.7929 2.7929 3.4846 3.4846 3.5190 3.5190 3.6789 3.6789 4.0372 4.0372 4.1459 4.1459 4.1856 4.1856 4.2208 4.2208 4.3242 4.3242 4.4199 4.4199 4.4431 4.4431 4.7240 4.7240 4.7620 4.7620 5.0597 5.0597 5.1262 5.1262 5.1926 5.1926 5.8256 5.8256 5.8542 5.8542 7.9386 7.9386 8.5840 8.5840 8.7549 8.7549 8.8388 8.8388 8.8393 8.8393 10.4018 10.4018 11.5654 11.5654 k = 0.0172 0.5000-0.0000 ( 6350 PWs) bands (ev): -48.6010 -48.6010 -26.2745 -26.2745 -24.2076 -24.2076 -24.2050 -24.2050 -6.8433 -6.8432 -6.4623 -6.4615 -6.1163 -6.1153 -6.0940 -6.0939 0.7587 0.7593 1.2314 1.2315 1.4417 1.4418 2.1000 2.1010 2.2864 2.2879 2.2985 2.2991 2.3375 2.3391 2.6217 2.6234 2.7711 2.7715 2.7922 2.7930 3.4830 3.4834 3.5163 3.5185 3.6798 3.6803 4.0356 4.0381 4.1394 4.1512 4.1826 4.1854 4.2143 4.2329 4.3230 4.3255 4.4160 4.4226 4.4367 4.4550 4.7183 4.7267 4.7546 4.7681 5.0566 5.0678 5.1238 5.1281 5.1882 5.1981 5.8212 5.8281 5.8528 5.8538 7.9390 7.9412 8.5841 8.5871 8.7427 8.7587 8.8310 8.8363 8.8413 8.8552 10.4030 10.4037 11.5664 11.5684 k = 0.0345 0.5000-0.0000 ( 6346 PWs) bands (ev): -48.6010 -48.6010 -26.2745 -26.2745 -24.2076 -24.2076 -24.2050 -24.2050 -6.8418 -6.8417 -6.4620 -6.4605 -6.1178 -6.1159 -6.0950 -6.0949 0.7609 0.7621 1.2320 1.2320 1.4416 1.4417 2.0997 2.1018 2.2851 2.2880 2.2978 2.2990 2.3369 2.3401 2.6207 2.6240 2.7699 2.7705 2.7908 2.7925 3.4787 3.4792 3.5106 3.5148 3.6828 3.6836 4.0332 4.0382 4.1322 4.1542 4.1756 4.1843 4.2142 4.2472 4.3215 4.3273 4.4130 4.4177 4.4413 4.4689 4.7083 4.7273 4.7482 4.7708 5.0590 5.0790 5.1209 5.1294 5.1847 5.2049 5.8151 5.8289 5.8496 5.8515 7.9423 7.9467 8.5871 8.5932 8.7273 8.7514 8.8286 8.8320 8.8484 8.8754 10.4072 10.4087 11.5713 11.5752 k = 0.0517 0.5000-0.0000 ( 6350 PWs) bands (ev): -48.6010 -48.6010 -26.2745 -26.2745 -24.2076 -24.2076 -24.2050 -24.2050 -6.8393 -6.8391 -6.4613 -6.4591 -6.1200 -6.1172 -6.0967 -6.0966 0.7649 0.7666 1.2329 1.2329 1.4413 1.4414 2.0996 2.1028 2.2833 2.2874 2.2974 2.2989 2.3364 2.3413 2.6196 2.6244 2.7680 2.7686 2.7888 2.7915 3.4718 3.4722 3.5022 3.5080 3.6877 3.6888 4.0303 4.0375 4.1251 4.1534 4.1691 4.1834 4.2172 4.2615 4.3201 4.3305 4.4106 4.4113 4.4516 4.4843 4.6938 4.7261 4.7440 4.7699 5.0656 5.0907 5.1187 5.1309 5.1823 5.2139 5.8074 5.8278 5.8447 5.8475 7.9485 7.9551 8.5925 8.6022 8.7118 8.7375 8.8246 8.8258 8.8630 8.8977 10.4144 10.4166 11.5802 11.5858 k = 0.0690 0.5000-0.0000 ( 6340 PWs) bands (ev): -48.6010 -48.6010 -26.2745 -26.2745 -24.2076 -24.2076 -24.2050 -24.2050 -6.8358 -6.8356 -6.4601 -6.4572 -6.1229 -6.1193 -6.0990 -6.0989 0.7704 0.7727 1.2341 1.2342 1.4409 1.4411 2.0998 2.1041 2.2808 2.2855 2.2976 2.2990 2.3361 2.3425 2.6184 2.6247 2.7655 2.7655 2.7861 2.7904 3.4624 3.4626 3.4916 3.4983 3.6941 3.6953 4.0269 4.0362 4.1186 4.1475 4.1670 4.1830 4.2204 4.2736 4.3205 4.3353 4.4044 4.4107 4.4644 4.5010 4.6765 4.7228 4.7415 4.7664 5.0727 5.0993 5.1193 5.1341 5.1819 5.2260 5.7982 5.8251 5.8382 5.8420 7.9574 7.9663 8.5991 8.6132 8.6982 8.7219 8.8178 8.8182 8.8819 8.9208 10.4247 10.4276 11.5928 11.6000 k = 0.0862 0.5000-0.0000 ( 6328 PWs) bands (ev): -48.6009 -48.6009 -26.2745 -26.2745 -24.2076 -24.2076 -24.2051 -24.2051 -6.8313 -6.8310 -6.4586 -6.4549 -6.1265 -6.1223 -6.1018 -6.1017 0.7776 0.7804 1.2358 1.2358 1.4403 1.4405 2.1004 2.1056 2.2775 2.2825 2.2985 2.2994 2.3360 2.3439 2.6171 2.6249 2.7614 2.7623 2.7829 2.7891 3.4500 3.4514 3.4791 3.4860 3.7016 3.7029 4.0233 4.0344 4.1131 4.1399 4.1671 4.1830 4.2228 4.2809 4.3246 4.3414 4.3997 4.4114 4.4788 4.5185 4.6577 4.7166 4.7401 4.7621 5.0751 5.1019 5.1244 5.1399 5.1859 5.2420 5.7877 5.8208 5.8305 5.8351 7.9692 7.9801 8.6047 8.6249 8.6890 8.7078 8.8084 8.8100 8.9026 8.9444 10.4379 10.4414 11.6090 11.6176 k = 0.1034 0.5000-0.0000 ( 6322 PWs) bands (ev): -48.6009 -48.6009 -26.2746 -26.2746 -24.2076 -24.2076 -24.2051 -24.2051 -6.8258 -6.8255 -6.4566 -6.4522 -6.1309 -6.1262 -6.1053 -6.1048 0.7863 0.7897 1.2377 1.2377 1.4395 1.4398 2.1013 2.1076 2.2734 2.2785 2.2999 2.3003 2.3362 2.3455 2.6159 2.6250 2.7560 2.7581 2.7794 2.7876 3.4352 3.4382 3.4650 3.4714 3.7098 3.7111 4.0198 4.0323 4.1088 4.1328 4.1675 4.1833 4.2242 4.2827 4.3323 4.3480 4.3973 4.4137 4.4943 4.5366 4.6384 4.7073 4.7396 4.7583 5.0715 5.0996 5.1298 5.1461 5.1979 5.2623 5.7760 5.8146 5.8218 5.8277 7.9835 7.9966 8.6061 8.6338 8.6869 8.6986 8.7981 8.8011 8.9241 8.9679 10.4541 10.4582 11.6286 11.6381 k = 0.1207 0.5000-0.0000 ( 6314 PWs) bands (ev): -48.6008 -48.6008 -26.2746 -26.2746 -24.2076 -24.2076 -24.2052 -24.2052 -6.8194 -6.8191 -6.4542 -6.4492 -6.1361 -6.1311 -6.1093 -6.1083 0.7965 0.8004 1.2398 1.2399 1.4384 1.4387 2.1028 2.1100 2.2686 2.2739 2.3014 2.3014 2.3368 2.3472 2.6147 2.6251 2.7494 2.7528 2.7759 2.7861 3.4182 3.4233 3.4497 3.4548 3.7186 3.7197 4.0165 4.0300 4.1056 4.1269 4.1680 4.1838 4.2249 4.2810 4.3400 4.3536 4.3988 4.4180 4.5105 4.5548 4.6195 4.6953 4.7397 4.7556 5.0644 5.0942 5.1309 5.1508 5.2193 5.2860 5.7634 5.8060 5.8129 5.8206 8.0004 8.0156 8.6018 8.6350 8.6925 8.6982 8.7881 8.7929 8.9457 8.9913 10.4731 10.4778 11.6510 11.6607 k = 0.1379 0.5000-0.0000 ( 6314 PWs) bands (ev): -48.6008 -48.6008 -26.2746 -26.2746 -24.2077 -24.2077 -24.2053 -24.2053 -6.8120 -6.8117 -6.4514 -6.4457 -6.1421 -6.1369 -6.1137 -6.1120 0.8081 0.8125 1.2423 1.2423 1.4369 1.4372 2.1049 2.1129 2.2633 2.2688 2.3029 2.3029 2.3378 2.3490 2.6136 2.6251 2.7418 2.7463 2.7724 2.7845 3.3992 3.4067 3.4333 3.4365 3.7275 3.7284 4.0137 4.0278 4.1037 4.1224 4.1682 4.1844 4.2253 4.2778 4.3442 4.3574 4.4054 4.4244 4.5268 4.5725 4.6018 4.6816 4.7404 4.7538 5.0552 5.0868 5.1278 5.1532 5.2472 5.3122 5.7498 5.7946 5.8044 5.8150 8.0196 8.0368 8.5933 8.6279 8.7018 8.7042 8.7812 8.7886 8.9673 9.0142 10.4949 10.5001 11.6751 11.6837 k = 0.1552 0.5000-0.0000 ( 6310 PWs) bands (ev): -48.6008 -48.6008 -26.2747 -26.2747 -24.2077 -24.2077 -24.2054 -24.2054 -6.8038 -6.8034 -6.4482 -6.4419 -6.1489 -6.1437 -6.1184 -6.1160 0.8210 0.8260 1.2449 1.2449 1.4351 1.4354 2.1077 2.1166 2.2577 2.2635 2.3044 2.3045 2.3394 2.3511 2.6127 2.6251 2.7331 2.7386 2.7692 2.7828 3.3785 3.3886 3.4160 3.4170 3.7364 3.7370 4.0115 4.0261 4.1030 4.1192 4.1684 4.1852 4.2257 4.2743 4.3444 4.3590 4.4167 4.4323 4.5426 4.5803 4.5948 4.6674 4.7419 4.7526 5.0449 5.0778 5.1219 5.1534 5.2785 5.3393 5.7352 5.7811 5.7973 5.8109 8.0410 8.0602 8.5829 8.6171 8.7073 8.7074 8.7824 8.7929 8.9885 9.0366 10.5193 10.5251 11.6989 11.7046 k = 0.1724 0.5000-0.0000 ( 6318 PWs) bands (ev): -48.6008 -48.6008 -26.2747 -26.2747 -24.2078 -24.2078 -24.2054 -24.2054 -6.7947 -6.7943 -6.4446 -6.4377 -6.1566 -6.1515 -6.1234 -6.1202 0.8351 0.8406 1.2476 1.2477 1.4328 1.4330 2.1113 2.1210 2.2519 2.2580 2.3056 2.3062 2.3415 2.3535 2.6119 2.6251 2.7235 2.7297 2.7662 2.7809 3.3566 3.3690 3.3965 3.3976 3.7450 3.7453 4.0100 4.0250 4.1034 4.1172 4.1685 4.1858 4.2263 4.2708 4.3419 4.3586 4.4308 4.4402 4.5569 4.5677 4.6096 4.6541 4.7443 4.7517 5.0337 5.0676 5.1141 5.1513 5.3109 5.3659 5.7196 5.7658 5.7928 5.8087 8.0644 8.0854 8.5721 8.6052 8.7026 8.7038 8.7954 8.8084 9.0092 9.0581 10.5464 10.5525 11.7188 11.7190 k = 0.1897 0.5000-0.0000 ( 6308 PWs) bands (ev): -48.6008 -48.6008 -26.2748 -26.2748 -24.2078 -24.2078 -24.2055 -24.2055 -6.7849 -6.7844 -6.4407 -6.4332 -6.1651 -6.1602 -6.1288 -6.1247 0.8504 0.8563 1.2505 1.2506 1.4299 1.4301 2.1160 2.1264 2.2462 2.2526 2.3067 2.3080 2.3443 2.3561 2.6113 2.6253 2.7129 2.7197 2.7634 2.7789 3.3336 3.3482 3.3751 3.3783 3.7533 3.7533 4.0091 4.0248 4.1049 4.1162 4.1686 4.1864 4.2271 4.2676 4.3383 4.3569 4.4462 4.4464 4.5567 4.5675 4.6251 4.6442 4.7477 4.7511 5.0220 5.0563 5.1048 5.1472 5.3428 5.3908 5.7030 5.7492 5.7921 5.8090 8.0897 8.1124 8.5617 8.5936 8.6920 8.6935 8.8176 8.8317 9.0292 9.0789 10.5759 10.5824 11.7230 11.7292 k = 0.2069 0.5000-0.0000 ( 6304 PWs) bands (ev): -48.6007 -48.6007 -26.2748 -26.2748 -24.2079 -24.2079 -24.2056 -24.2056 -6.7742 -6.7737 -6.4365 -6.4285 -6.1744 -6.1696 -6.1343 -6.1294 0.8666 0.8730 1.2535 1.2536 1.4264 1.4265 2.1217 2.1327 2.2407 2.2474 2.3075 2.3097 2.3476 2.3590 2.6110 2.6255 2.7016 2.7088 2.7607 2.7768 3.3099 3.3263 3.3531 3.3581 3.7608 3.7610 4.0090 4.0256 4.1075 4.1161 4.1687 4.1868 4.2282 4.2647 4.3341 4.3540 4.4490 4.4620 4.5504 4.5708 4.6394 4.6410 4.7506 4.7522 5.0099 5.0442 5.0941 5.1411 5.3731 5.4129 5.6856 5.7315 5.7961 5.8124 8.1164 8.1407 8.5519 8.5826 8.6783 8.6800 8.8446 8.8595 9.0485 9.0986 10.6078 10.6145 11.7157 11.7266 k = 0.2241 0.5000-0.0000 ( 6300 PWs) bands (ev): -48.6007 -48.6007 -26.2749 -26.2749 -24.2079 -24.2079 -24.2057 -24.2057 -6.7629 -6.7624 -6.4320 -6.4234 -6.1844 -6.1799 -6.1401 -6.1344 0.8837 0.8905 1.2565 1.2567 1.4222 1.4222 2.1286 2.1401 2.2356 2.2426 2.3082 2.3114 2.3515 2.3622 2.6109 2.6258 2.6895 2.6970 2.7583 2.7747 3.2859 3.3036 3.3304 3.3371 3.7678 3.7681 4.0095 4.0274 4.1111 4.1167 4.1689 4.1869 4.2297 4.2624 4.3298 4.3504 4.4467 4.4778 4.5500 4.5655 4.6463 4.6519 4.7503 4.7578 4.9976 5.0314 5.0823 5.1330 5.4006 5.4314 5.6674 5.7130 5.8053 5.8194 8.1445 8.1702 8.5428 8.5723 8.6635 8.6654 8.8743 8.8896 9.0670 9.1171 10.6418 10.6487 11.6986 11.7116 k = 0.2414 0.5000-0.0000 ( 6296 PWs) bands (ev): -48.6007 -48.6007 -26.2749 -26.2749 -24.2080 -24.2080 -24.2057 -24.2057 -6.7508 -6.7503 -6.4272 -6.4181 -6.1951 -6.1908 -6.1460 -6.1396 0.9016 0.9087 1.2596 1.2597 1.4171 1.4173 2.1367 2.1487 2.2310 2.2382 2.3087 2.3129 2.3558 2.3658 2.6110 2.6261 2.6768 2.6844 2.7560 2.7724 3.2616 3.2805 3.3072 3.3153 3.7742 3.7744 4.0108 4.0303 4.1154 4.1179 4.1692 4.1865 4.2315 4.2607 4.3258 4.3462 4.4401 4.4930 4.5547 4.5549 4.6570 4.6627 4.7501 4.7644 4.9851 5.0180 5.0693 5.1230 5.4245 5.4459 5.6490 5.6940 5.8198 5.8306 8.1735 8.2005 8.5346 8.5629 8.6485 8.6507 8.9054 8.9209 9.0845 9.1345 10.6777 10.6847 11.6736 11.6870 k = 0.2586 0.5000-0.0000 ( 6292 PWs) bands (ev): -48.6007 -48.6007 -26.2750 -26.2750 -24.2081 -24.2081 -24.2058 -24.2058 -6.7382 -6.7377 -6.4221 -6.4127 -6.2065 -6.2023 -6.1520 -6.1451 0.9201 0.9275 1.2625 1.2627 1.4111 1.4116 2.1462 2.1586 2.2271 2.2345 2.3092 2.3144 2.3605 2.3696 2.6114 2.6265 2.6634 2.6712 2.7539 2.7701 3.2374 3.2570 3.2835 3.2927 3.7799 3.7800 4.0127 4.0342 4.1195 4.1204 4.1697 4.1857 4.2337 4.2597 4.3221 4.3415 4.4308 4.5063 4.5428 4.5633 4.6699 4.6718 4.7501 4.7716 4.9727 5.0042 5.0554 5.1112 5.4444 5.4567 5.6305 5.6747 5.8391 5.8459 8.2033 8.2314 8.5273 8.5543 8.6340 8.6365 8.9371 8.9527 9.1010 9.1505 10.7155 10.7225 11.6426 11.6553 k = 0.2759 0.5000-0.0000 ( 6296 PWs) bands (ev): -48.6007 -48.6007 -26.2750 -26.2750 -24.2081 -24.2081 -24.2059 -24.2059 -6.7251 -6.7245 -6.4169 -6.4070 -6.2184 -6.2144 -6.1582 -6.1507 0.9390 0.9468 1.2654 1.2657 1.4043 1.4050 2.1569 2.1696 2.2241 2.2316 2.3097 2.3157 2.3655 2.3737 2.6121 2.6268 2.6494 2.6575 2.7519 2.7678 3.2136 3.2336 3.2595 3.2696 3.7850 3.7850 4.0151 4.0389 4.1213 4.1257 4.1704 4.1844 4.2363 4.2596 4.3189 4.3364 4.4203 4.5110 4.5381 4.5739 4.6796 4.6832 4.7503 4.7789 4.9604 4.9901 5.0406 5.0977 5.4602 5.4643 5.6123 5.6553 5.8623 5.8651 8.2335 8.2623 8.5208 8.5465 8.6203 8.6232 8.9688 8.9843 9.1165 9.1652 10.7548 10.7618 11.6069 11.6185 k = 0.2931 0.5000-0.0000 ( 6296 PWs) bands (ev): -48.6007 -48.6007 -26.2751 -26.2751 -24.2082 -24.2082 -24.2060 -24.2059 -6.7116 -6.7110 -6.4115 -6.4013 -6.2308 -6.2269 -6.1644 -6.1565 0.9584 0.9664 1.2682 1.2685 1.3967 1.3976 2.1687 2.1816 2.2222 2.2296 2.3102 2.3168 2.3707 2.3780 2.6130 2.6260 2.6349 2.6443 2.7502 2.7654 3.1902 3.2104 3.2352 3.2460 3.7893 3.7896 4.0182 4.0444 4.1231 4.1311 4.1712 4.1826 4.2393 4.2604 4.3162 4.3311 4.4096 4.5010 4.5473 4.5857 4.6864 4.6961 4.7508 4.7858 4.9483 4.9759 5.0251 5.0828 5.4694 5.4722 5.5947 5.6362 5.8875 5.8881 8.2638 8.2931 8.5151 8.5394 8.6078 8.6111 9.0001 9.0153 9.1309 9.1784 10.7954 10.8023 11.5677 11.5780 k = 0.3103 0.5000-0.0000 ( 6296 PWs) bands (ev): -48.6007 -48.6007 -26.2751 -26.2751 -24.2083 -24.2083 -24.2060 -24.2060 -6.6977 -6.6971 -6.4059 -6.3956 -6.2436 -6.2398 -6.1707 -6.1624 0.9780 0.9861 1.2708 1.2711 1.3882 1.3894 2.1812 2.1942 2.2219 2.2291 2.3108 2.3179 2.3760 2.3825 2.6139 2.6201 2.6204 2.6354 2.7487 2.7631 3.1675 3.1875 3.2111 3.2223 3.7930 3.7935 4.0218 4.0505 4.1247 4.1364 4.1723 4.1802 4.2427 4.2624 4.3141 4.3256 4.3995 4.4864 4.5610 4.5980 4.6926 4.7080 4.7518 4.7918 4.9365 4.9618 5.0091 5.0667 5.4727 5.4809 5.5780 5.6176 5.9121 5.9153 8.2938 8.3232 8.5101 8.5330 8.5966 8.6004 9.0306 9.0452 9.1443 9.1901 10.8371 10.8439 11.5263 11.5353 k = 0.3276 0.5000-0.0000 ( 6298 PWs) bands (ev): -48.6007 -48.6007 -26.2752 -26.2752 -24.2084 -24.2084 -24.2061 -24.2061 -6.6836 -6.6829 -6.4004 -6.3899 -6.2566 -6.2529 -6.1769 -6.1684 0.9976 1.0058 1.2733 1.2736 1.3788 1.3804 2.1931 2.2058 2.2245 2.2316 2.3115 2.3188 2.3814 2.3871 2.6039 2.6073 2.6160 2.6334 2.7474 2.7608 3.1457 3.1651 3.1873 3.1986 3.7961 3.7970 4.0260 4.0569 4.1261 4.1412 4.1735 4.1775 4.2466 4.2654 4.3125 4.3200 4.3902 4.4707 4.5754 4.6105 4.6986 4.7183 4.7537 4.7963 4.9253 4.9481 4.9928 5.0496 5.4748 5.4869 5.5625 5.5997 5.9379 5.9431 8.3231 8.3523 8.5059 8.5271 8.5870 8.5911 9.0599 9.0736 9.1566 9.2002 10.8797 10.8861 11.4840 11.4915 k = 0.3448 0.5000-0.0000 ( 6292 PWs) bands (ev): -48.6006 -48.6006 -26.2752 -26.2752 -24.2085 -24.2084 -24.2061 -24.2061 -6.6694 -6.6687 -6.3949 -6.3843 -6.2697 -6.2661 -6.1829 -6.1744 1.0172 1.0254 1.2756 1.2758 1.3687 1.3706 2.2017 2.2132 2.2324 2.2403 2.3123 2.3196 2.3867 2.3916 2.5880 2.5916 2.6174 2.6335 2.7463 2.7587 3.1251 3.1433 3.1644 3.1753 3.7988 3.8000 4.0307 4.0635 4.1269 4.1452 4.1746 4.1748 4.2510 4.2694 4.3114 4.3146 4.3819 4.4549 4.5900 4.6231 4.7046 4.7265 4.7570 4.7990 4.9146 4.9349 4.9763 5.0320 5.4762 5.4910 5.5485 5.5827 5.9641 5.9703 8.3514 8.3798 8.5023 8.5219 8.5791 8.5834 9.0876 9.1003 9.1678 9.2089 10.9227 10.9289 11.4417 11.4480 k = 0.3621 0.5000-0.0000 ( 6294 PWs) bands (ev): -48.6007 -48.6007 -26.2752 -26.2752 -24.2085 -24.2085 -24.2061 -24.2061 -6.6553 -6.6546 -6.3895 -6.3790 -6.2827 -6.2791 -6.1888 -6.1804 1.0366 1.0446 1.2776 1.2778 1.3579 1.3602 2.2063 2.2162 2.2464 2.2549 2.3132 2.3202 2.3918 2.3961 2.5715 2.5749 2.6191 2.6340 2.7455 2.7566 3.1057 3.1221 3.1428 3.1528 3.8011 3.8025 4.0359 4.0701 4.1271 4.1481 4.1719 4.1760 4.2560 4.2741 4.3096 4.3109 4.3747 4.4392 4.6046 4.6354 4.7108 4.7320 4.7619 4.7995 4.9047 4.9225 4.9600 5.0140 5.4771 5.4935 5.5361 5.5668 5.9896 5.9963 8.3781 8.4053 8.4993 8.5172 8.5727 8.5773 9.1133 9.1249 9.1781 9.2160 10.9658 10.9717 11.4007 11.4058 k = 0.3793 0.5000-0.0000 ( 6294 PWs) bands (ev): -48.6006 -48.6006 -26.2753 -26.2753 -24.2086 -24.2086 -24.2062 -24.2062 -6.6414 -6.6408 -6.3843 -6.3741 -6.2953 -6.2918 -6.1943 -6.1862 1.0556 1.0634 1.2794 1.2796 1.3467 1.3493 2.2090 2.2177 2.2641 2.2726 2.3142 2.3208 2.3968 2.4003 2.5545 2.5575 2.6208 2.6345 2.7449 2.7547 3.0878 3.1018 3.1230 3.1314 3.8031 3.8046 4.0416 4.0764 4.1266 4.1494 4.1700 4.1769 4.2617 4.2792 4.3053 4.3110 4.3685 4.4237 4.6191 4.6472 4.7176 4.7351 4.7683 4.7975 4.8958 4.9113 4.9440 4.9960 5.4778 5.4949 5.5254 5.5522 6.0137 6.0204 8.4029 8.4283 8.4970 8.5131 8.5680 8.5726 9.1369 9.1470 9.1873 9.2216 11.0087 11.0142 11.3619 11.3660 k = 0.3966 0.5000-0.0000 ( 6290 PWs) bands (ev): -48.6006 -48.6006 -26.2753 -26.2753 -24.2087 -24.2087 -24.2062 -24.2062 -6.6281 -6.6275 -6.3797 -6.3699 -6.3072 -6.3038 -6.1995 -6.1918 1.0739 1.0814 1.2809 1.2810 1.3352 1.3381 2.2110 2.2186 2.2840 2.2921 2.3152 2.3212 2.4013 2.4043 2.5369 2.5396 2.6227 2.6349 2.7446 2.7530 3.0715 3.0827 3.1053 3.1117 3.8048 3.8063 4.0476 4.0823 4.1255 4.1487 4.1692 4.1776 4.2680 4.2841 4.3019 4.3120 4.3631 4.4085 4.6335 4.6585 4.7251 4.7362 4.7751 4.7930 4.8881 4.9014 4.9287 4.9782 5.4783 5.4955 5.5166 5.5390 6.0358 6.0421 8.4253 8.4481 8.4952 8.5098 8.5649 8.5694 9.1581 9.1665 9.1958 9.2258 11.0508 11.0558 11.3263 11.3294 k = 0.4138 0.5000-0.0000 ( 6290 PWs) bands (ev): -48.6006 -48.6006 -26.2753 -26.2753 -24.2087 -24.2087 -24.2062 -24.2062 -6.6155 -6.6150 -6.3757 -6.3667 -6.3180 -6.3147 -6.2040 -6.1971 1.0914 1.0984 1.2821 1.2821 1.3238 1.3268 2.2128 2.2194 2.3051 2.3123 2.3165 2.3216 2.4055 2.4079 2.5187 2.5211 2.6246 2.6352 2.7445 2.7514 3.0570 3.0652 3.0899 3.0941 3.8062 3.8076 4.0539 4.0875 4.1240 4.1464 4.1695 4.1778 4.2749 4.2883 4.2996 4.3140 4.3583 4.3937 4.6477 4.6691 4.7333 4.7360 4.7817 4.7860 4.8816 4.8931 4.9147 4.9610 5.4789 5.4955 5.5096 5.5273 6.0554 6.0610 8.4450 8.4643 8.4941 8.5072 8.5632 8.5674 9.1766 9.1831 9.2034 9.2286 11.0914 11.0959 11.2947 11.2971 k = 0.4310 0.5000-0.0000 ( 6286 PWs) bands (ev): -48.6006 -48.6006 -26.2754 -26.2754 -24.2088 -24.2088 -24.2062 -24.2062 -6.6042 -6.6038 -6.3727 -6.3649 -6.3268 -6.3240 -6.2079 -6.2019 1.1077 1.1139 1.2828 1.2828 1.3129 1.3161 2.2145 2.2200 2.3172 2.3212 2.3276 2.3339 2.4091 2.4110 2.4999 2.5021 2.6264 2.6352 2.7446 2.7501 3.0446 3.0500 3.0769 3.0792 3.8074 3.8086 4.0605 4.0915 4.1224 4.1431 4.1703 4.1776 4.2821 4.2912 4.2987 4.3172 4.3539 4.3793 4.6618 4.6789 4.7348 4.7423 4.7770 4.7873 4.8766 4.8861 4.9027 4.9446 5.4796 5.4952 5.5043 5.5171 6.0721 6.0768 8.4614 8.4763 8.4936 8.5055 8.5629 8.5664 9.1922 9.1965 9.2103 9.2301 11.1295 11.1334 11.2678 11.2695 k = 0.4483 0.5000-0.0000 ( 6276 PWs) bands (ev): -48.6005 -48.6005 -26.2754 -26.2754 -24.2088 -24.2088 -24.2062 -24.2062 -6.5946 -6.5942 -6.3710 -6.3650 -6.3330 -6.3310 -6.2109 -6.2061 1.1222 1.1274 1.2827 1.2827 1.3036 1.3065 2.2162 2.2204 2.3182 2.3215 2.3498 2.3555 2.4121 2.4134 2.4803 2.4825 2.6282 2.6349 2.7448 2.7489 3.0344 3.0376 3.0665 3.0674 3.8084 3.8094 4.0671 4.0938 4.1214 4.1392 4.1714 4.1772 4.2882 4.2929 4.3005 4.3214 4.3497 4.3655 4.6756 4.6877 4.7327 4.7516 4.7669 4.7910 4.8729 4.8805 4.8939 4.9294 5.4806 5.4944 5.5008 5.5086 6.0855 6.0892 8.4742 8.4839 8.4940 8.5048 8.5637 8.5664 9.2048 9.2069 9.2164 9.2303 11.1636 11.1668 11.2463 11.2474 k = 0.4655 0.5000-0.0000 ( 6280 PWs) bands (ev): -48.6006 -48.6006 -26.2754 -26.2754 -24.2088 -24.2088 -24.2063 -24.2063 -6.5871 -6.5868 -6.3705 -6.3667 -6.3364 -6.3354 -6.2128 -6.2095 1.1341 1.1380 1.2815 1.2817 1.2971 1.2991 2.2177 2.2206 2.3191 2.3213 2.3724 2.3772 2.4143 2.4152 2.4600 2.4625 2.6298 2.6344 2.7452 2.7479 3.0267 3.0283 3.0588 3.0590 3.8091 3.8098 4.0737 4.0934 4.1219 4.1352 4.1725 4.1764 4.2914 4.2936 4.3066 4.3259 4.3456 4.3525 4.6884 4.6952 4.7303 4.7526 4.7643 4.7915 4.8704 4.8759 4.8895 4.9158 5.4821 5.4930 5.4985 5.5023 6.0954 6.0979 8.4826 8.4875 8.4959 8.5047 8.5650 8.5667 9.2143 9.2145 9.2211 9.2294 11.1915 11.1938 11.2306 11.2313 k = 0.4828 0.5000-0.0000 ( 6268 PWs) bands (ev): -48.6005 -48.6005 -26.2754 -26.2754 -24.2088 -24.2088 -24.2063 -24.2063 -6.5823 -6.5822 -6.3706 -6.3688 -6.3379 -6.3375 -6.2137 -6.2120 1.1424 1.1445 1.2795 1.2798 1.2940 1.2950 2.2189 2.2204 2.3199 2.3210 2.3949 2.3988 2.4159 2.4161 2.4391 2.4419 2.6313 2.6336 2.7457 2.7471 3.0220 3.0226 3.0540 3.0541 3.8096 3.8100 4.0801 4.0906 4.1241 4.1312 4.1736 4.1756 4.2927 4.2937 4.3158 4.3298 4.3409 4.3415 4.6988 4.7010 4.7293 4.7421 4.7733 4.7884 4.8695 4.8725 4.8902 4.9042 5.4842 5.4905 5.4975 5.4986 6.1017 6.1030 8.4867 8.4886 8.4992 8.5042 8.5662 8.5670 9.2201 9.2205 9.2238 9.2274 11.2103 11.2113 11.2216 11.2216 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -48.6004 -48.6004 -26.2754 -26.2754 -24.2088 -24.2088 -24.2063 -24.2063 -6.5807 -6.5807 -6.3702 -6.3702 -6.3382 -6.3382 -6.2134 -6.2134 1.1461 1.1461 1.2787 1.2787 1.2935 1.2935 2.2199 2.2199 2.3205 2.3205 2.4156 2.4156 2.4164 2.4164 2.4223 2.4223 2.6326 2.6326 2.7464 2.7464 3.0205 3.0205 3.0524 3.0524 3.8099 3.8099 4.0859 4.0859 4.1274 4.1274 4.1747 4.1747 4.2934 4.2934 4.3258 4.3258 4.3379 4.3379 4.7033 4.7033 4.7330 4.7330 4.7819 4.7819 4.8703 4.8703 4.8954 4.8954 5.4872 5.4872 5.4974 5.4974 6.1043 6.1043 8.4882 8.4882 8.5024 8.5024 8.5670 8.5670 9.2235 9.2235 9.2245 9.2245 11.2157 11.2157 11.2200 11.2200 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -48.6004 -48.6004 -26.2754 -26.2754 -24.2088 -24.2088 -24.2063 -24.2063 -6.5807 -6.5807 -6.3702 -6.3702 -6.3382 -6.3382 -6.2134 -6.2134 1.1461 1.1461 1.2787 1.2787 1.2935 1.2935 2.2199 2.2199 2.3205 2.3205 2.4156 2.4156 2.4164 2.4164 2.4223 2.4223 2.6326 2.6326 2.7464 2.7464 3.0205 3.0205 3.0524 3.0524 3.8099 3.8099 4.0859 4.0859 4.1274 4.1274 4.1747 4.1747 4.2934 4.2934 4.3258 4.3258 4.3379 4.3379 4.7033 4.7033 4.7330 4.7330 4.7819 4.7819 4.8703 4.8703 4.8954 4.8954 5.4872 5.4872 5.4974 5.4974 6.1043 6.1043 8.4882 8.4882 8.5024 8.5024 8.5670 8.5670 9.2235 9.2235 9.2245 9.2245 11.2157 11.2157 11.2200 11.2200 k = 0.4878 0.4878-0.0000 ( 6272 PWs) bands (ev): -48.6005 -48.6005 -26.2754 -26.2754 -24.2088 -24.2088 -24.2063 -24.2063 -6.5824 -6.5822 -6.3706 -6.3688 -6.3379 -6.3376 -6.2137 -6.2120 1.1424 1.1445 1.2791 1.2797 1.2942 1.2952 2.2189 2.2204 2.3199 2.3210 2.3945 2.3982 2.4168 2.4173 2.4385 2.4414 2.6313 2.6337 2.7457 2.7471 3.0220 3.0225 3.0540 3.0541 3.8096 3.8100 4.0801 4.0906 4.1240 4.1312 4.1736 4.1756 4.2927 4.2937 4.3157 4.3315 4.3363 4.3445 4.6998 4.6998 4.7296 4.7419 4.7733 4.7884 4.8694 4.8726 4.8902 4.9042 5.4842 5.4906 5.4976 5.4984 6.1017 6.1030 8.4868 8.4885 8.4991 8.5042 8.5662 8.5670 9.2188 9.2225 9.2237 9.2269 11.2084 11.2097 11.2233 11.2234 k = 0.4756 0.4756-0.0000 ( 6276 PWs) bands (ev): -48.6005 -48.6005 -26.2754 -26.2754 -24.2088 -24.2088 -24.2063 -24.2063 -6.5872 -6.5870 -6.3697 -6.3664 -6.3367 -6.3360 -6.2128 -6.2094 1.1343 1.1381 1.2780 1.2794 1.2999 1.3018 2.2177 2.2206 2.3191 2.3213 2.3711 2.3754 2.4181 2.4196 2.4568 2.4596 2.6304 2.6353 2.7452 2.7479 3.0270 3.0271 3.0588 3.0597 3.8091 3.8098 4.0736 4.0940 4.1210 4.1356 4.1725 4.1765 4.2915 4.2938 4.3065 4.3309 4.3351 4.3579 4.6896 4.6933 4.7319 4.7518 4.7643 4.7915 4.8700 4.8764 4.8896 4.9157 5.4819 5.4938 5.4996 5.5005 6.0955 6.0980 8.4841 8.4877 8.4943 8.5047 8.5650 8.5665 9.2105 9.2199 9.2223 9.2266 11.1843 11.1869 11.2382 11.2386 k = 0.4634 0.4634-0.0000 ( 6276 PWs) bands (ev): -48.6005 -48.6005 -26.2754 -26.2754 -24.2088 -24.2088 -24.2062 -24.2062 -6.5950 -6.5947 -6.3679 -6.3631 -6.3346 -6.3336 -6.2109 -6.2059 1.1228 1.1281 1.2732 1.2749 1.3120 1.3141 2.2161 2.2204 2.3181 2.3216 2.3470 2.3519 2.4206 2.4231 2.4711 2.4742 2.6314 2.6391 2.7449 2.7489 3.0331 3.0346 3.0669 3.0699 3.8084 3.8094 4.0670 4.0961 4.1181 4.1402 4.1714 4.1772 4.2893 4.2936 4.2995 4.3282 4.3341 4.3737 4.6766 4.6854 4.7362 4.7510 4.7655 4.7909 4.8720 4.8817 4.8938 4.9291 5.4803 5.4965 5.5036 5.5038 6.0857 6.0894 8.4801 8.4855 8.4881 8.5038 8.5635 8.5657 9.1995 9.2157 9.2195 9.2238 11.1482 11.1517 11.2631 11.2637 k = 0.4512 0.4512-0.0000 ( 6286 PWs) bands (ev): -48.6006 -48.6006 -26.2754 -26.2754 -24.2088 -24.2088 -24.2062 -24.2062 -6.6053 -6.6050 -6.3651 -6.3592 -6.3318 -6.3302 -6.2080 -6.2015 1.1092 1.1155 1.2652 1.2671 1.3285 1.3303 2.2142 2.2199 2.3164 2.3217 2.3234 2.3279 2.4244 2.4278 2.4801 2.4837 2.6363 2.6469 2.7446 2.7501 3.0396 3.0437 3.0787 3.0846 3.8075 3.8086 4.0603 4.0970 4.1151 4.1445 4.1700 4.1778 4.2852 4.2931 4.2952 4.3241 4.3338 4.3911 4.6626 4.6764 4.7408 4.7418 4.7747 4.7871 4.8753 4.8883 4.9021 4.9441 5.4794 5.4994 5.5075 5.5093 6.0726 6.0774 8.4745 8.4801 8.4822 8.5015 8.5620 8.5649 9.1859 9.2096 9.2153 9.2186 11.1037 11.1077 11.2970 11.2982 k = 0.4390 0.4390-0.0000 ( 6288 PWs) bands (ev): -48.6006 -48.6006 -26.2753 -26.2753 -24.2087 -24.2087 -24.2062 -24.2062 -6.6180 -6.6177 -6.3614 -6.3548 -6.3282 -6.3261 -6.2041 -6.1964 1.0942 1.1013 1.2547 1.2568 1.3479 1.3493 2.2121 2.2190 2.2970 2.3034 2.3171 2.3217 2.4292 2.4337 2.4833 2.4873 2.6465 2.6600 2.7446 2.7514 3.0466 3.0534 3.0942 3.1031 3.8064 3.8076 4.0539 4.0971 4.1120 4.1481 4.1687 4.1779 4.2805 4.2920 4.2921 4.3193 4.3355 4.4096 4.6482 4.6666 4.7327 4.7451 4.7811 4.7832 4.8798 4.8960 4.9136 4.9604 5.4791 5.5029 5.5122 5.5154 6.0567 6.0625 8.4674 8.4712 8.4769 8.4979 8.5612 8.5645 9.1699 9.2013 9.2097 9.2116 11.0529 11.0572 11.3391 11.3409 k = 0.4268 0.4268-0.0000 ( 6290 PWs) bands (ev): -48.6006 -48.6006 -26.2753 -26.2753 -24.2087 -24.2087 -24.2062 -24.2062 -6.6325 -6.6324 -6.3572 -6.3499 -6.3239 -6.3212 -6.1995 -6.1907 1.0781 1.0858 1.2419 1.2442 1.3694 1.3703 2.2098 2.2179 2.2720 2.2785 2.3162 2.3216 2.4352 2.4407 2.4816 2.4856 2.6622 2.6783 2.7447 2.7531 3.0543 3.0635 3.1127 3.1243 3.8051 3.8063 4.0478 4.0968 4.1088 4.1506 4.1671 4.1773 4.2761 4.2887 4.2899 4.3145 4.3399 4.4292 4.6339 4.6560 4.7245 4.7488 4.7741 4.7904 4.8854 4.9046 4.9271 4.9775 5.4793 5.5075 5.5177 5.5216 6.0385 6.0451 8.4589 8.4609 8.4699 8.4928 8.5611 8.5648 9.1517 9.1903 9.2026 9.2032 10.9973 11.0017 11.3881 11.3908 k = 0.4146 0.4146-0.0000 ( 6296 PWs) bands (ev): -48.6007 -48.6007 -26.2753 -26.2753 -24.2086 -24.2086 -24.2062 -24.2062 -6.6487 -6.6487 -6.3523 -6.3446 -6.3190 -6.3157 -6.1943 -6.1846 1.0612 1.0694 1.2268 1.2294 1.3926 1.3929 2.2073 2.2164 2.2466 2.2532 2.3157 2.3216 2.4422 2.4489 2.4767 2.4804 2.6822 2.7007 2.7451 2.7550 3.0627 3.0738 3.1334 3.1474 3.8037 3.8047 4.0420 4.0961 4.1056 4.1520 4.1652 4.1754 4.2726 4.2844 4.2863 4.3105 4.3475 4.4495 4.6197 4.6448 4.7173 4.7518 4.7666 4.7961 4.8920 4.9138 4.9423 4.9955 5.4798 5.5131 5.5237 5.5276 6.0185 6.0259 8.4491 8.4494 8.4615 8.4862 8.5620 8.5659 9.1315 9.1768 9.1935 9.1940 10.9378 10.9423 11.4428 11.4466 k = 0.4024 0.4024-0.0000 ( 6304 PWs) bands (ev): -48.6007 -48.6007 -26.2752 -26.2752 -24.2085 -24.2085 -24.2062 -24.2062 -6.6663 -6.6662 -6.3469 -6.3390 -6.3136 -6.3098 -6.1887 -6.1782 1.0436 1.0522 1.2097 1.2125 1.4169 1.4171 2.2046 2.2146 2.2210 2.2275 2.3155 2.3215 2.4503 2.4580 2.4704 2.4737 2.7052 2.7261 2.7459 2.7572 3.0719 3.0847 3.1556 3.1717 3.8021 3.8027 4.0364 4.0955 4.1024 4.1523 4.1628 4.1720 4.2700 4.2795 4.2807 4.3081 4.3582 4.4706 4.6057 4.6331 4.7111 4.7528 4.7602 4.8002 4.8995 4.9234 4.9587 5.0140 5.4803 5.5198 5.5304 5.5329 5.9976 6.0055 8.4370 8.4383 8.4517 8.4783 8.5638 8.5678 9.1095 9.1608 9.1824 9.1836 10.8750 10.8795 11.5016 11.5067 k = 0.3902 0.3902-0.0000 ( 6304 PWs) bands (ev): -48.6007 -48.6007 -26.2752 -26.2752 -24.2084 -24.2084 -24.2061 -24.2061 -6.6850 -6.6849 -6.3410 -6.3329 -6.3077 -6.3034 -6.1828 -6.1717 1.0254 1.0342 1.1907 1.1937 1.4420 1.4429 2.1946 2.1994 2.2037 2.2131 2.3155 2.3212 2.4592 2.4640 2.4641 2.4708 2.7298 2.7476 2.7536 2.7598 3.0818 3.0959 3.1786 3.1966 3.8003 3.8004 4.0312 4.0950 4.0995 4.1519 4.1597 4.1668 4.2684 4.2737 4.2746 4.3074 4.3714 4.4920 4.5920 4.6211 4.7057 4.7478 4.7591 4.8028 4.9078 4.9331 4.9761 5.0329 5.4805 5.5277 5.5369 5.5375 5.9765 5.9847 8.4237 8.4269 8.4411 8.4691 8.5664 8.5705 9.0860 9.1426 9.1698 9.1716 10.8095 10.8140 11.5629 11.5694 k = 0.3780 0.3780-0.0000 ( 6304 PWs) bands (ev): -48.6007 -48.6007 -26.2751 -26.2751 -24.2083 -24.2083 -24.2061 -24.2061 -6.7046 -6.7044 -6.3346 -6.3264 -6.3013 -6.2966 -6.1768 -6.1652 1.0065 1.0154 1.1700 1.1731 1.4682 1.4696 2.1683 2.1742 2.1994 2.2111 2.3156 2.3207 2.4584 2.4588 2.4696 2.4808 2.7455 2.7600 2.7626 2.7827 3.0923 3.1076 3.2020 3.2218 3.7978 3.7984 4.0260 4.0949 4.0968 4.1504 4.1557 4.1598 4.2661 4.2679 4.2702 4.3079 4.3866 4.5138 4.5787 4.6089 4.7011 4.7398 4.7605 4.8038 4.9167 4.9427 4.9946 5.0521 5.4795 5.5366 5.5392 5.5454 5.9560 5.9645 8.4097 8.4151 8.4298 8.4589 8.5695 8.5737 9.0612 9.1225 9.1555 9.1577 10.7416 10.7459 11.6247 11.6328 k = 0.3659 0.3659-0.0000 ( 6302 PWs) bands (ev): -48.6007 -48.6007 -26.2751 -26.2751 -24.2082 -24.2082 -24.2060 -24.2060 -6.7249 -6.7246 -6.3278 -6.3196 -6.2945 -6.2894 -6.1707 -6.1588 0.9870 0.9960 1.1476 1.1509 1.4952 1.4971 2.1417 2.1474 2.1965 2.2090 2.3155 2.3197 2.4540 2.4547 2.4805 2.4931 2.7483 2.7658 2.7870 2.8128 3.1032 3.1196 3.2254 3.2468 3.7949 3.7963 4.0211 4.0946 4.0953 4.1459 4.1503 4.1535 4.2589 4.2656 4.2691 4.3092 4.4035 4.5353 4.5661 4.5966 4.6971 4.7311 4.7620 4.8036 4.9260 4.9517 5.0142 5.0716 5.4768 5.5380 5.5478 5.5540 5.9372 5.9457 8.3953 8.4031 8.4183 8.4478 8.5731 8.5774 9.0353 9.1006 9.1396 9.1420 10.6715 10.6757 11.6851 11.6948 k = 0.3537 0.3537-0.0000 ( 6294 PWs) bands (ev): -48.6007 -48.6007 -26.2750 -26.2750 -24.2081 -24.2081 -24.2060 -24.2060 -6.7457 -6.7454 -6.3206 -6.3123 -6.2874 -6.2820 -6.1648 -6.1526 0.9668 0.9758 1.1237 1.1271 1.5229 1.5252 2.1151 2.1204 2.1937 2.2068 2.3151 2.3180 2.4513 2.4535 2.4924 2.5064 2.7504 2.7694 2.8157 2.8436 3.1147 3.1318 3.2485 3.2713 3.7916 3.7940 4.0164 4.0928 4.0963 4.1357 4.1433 4.1507 4.2529 4.2623 4.2709 4.3113 4.4215 4.5486 4.5621 4.5846 4.6934 4.7222 4.7635 4.8022 4.9354 4.9601 5.0349 5.0914 5.4714 5.5340 5.5596 5.5637 5.9208 5.9293 8.3805 8.3912 8.4069 8.4360 8.5768 8.5813 9.0084 9.0771 9.1220 9.1245 10.5994 10.6035 11.7423 11.7535 k = 0.3415 0.3415-0.0000 ( 6302 PWs) bands (ev): -48.6007 -48.6007 -26.2750 -26.2750 -24.2080 -24.2080 -24.2060 -24.2060 -6.7669 -6.7665 -6.3131 -6.3047 -6.2798 -6.2743 -6.1589 -6.1467 0.9462 0.9550 1.0985 1.1020 1.5511 1.5538 2.0886 2.0934 2.1908 2.2045 2.3138 2.3154 2.4514 2.4549 2.5051 2.5205 2.7528 2.7732 2.8453 2.8750 3.1264 3.1442 3.2711 3.2952 3.7879 3.7913 4.0119 4.0912 4.0979 4.1226 4.1347 4.1491 4.2485 4.2596 4.2739 4.3139 4.4402 4.5387 4.5727 4.5815 4.6898 4.7128 4.7650 4.8000 4.9447 4.9677 5.0568 5.1115 5.4626 5.5260 5.5728 5.5748 5.9074 5.9161 8.3656 8.3796 8.3957 8.4238 8.5807 8.5852 8.9807 9.0522 9.1025 9.1050 10.5256 10.5296 11.7945 11.8070 k = 0.3293 0.3293-0.0000 ( 6316 PWs) bands (ev): -48.6008 -48.6008 -26.2749 -26.2749 -24.2078 -24.2078 -24.2059 -24.2059 -6.7884 -6.7880 -6.3052 -6.2968 -6.2720 -6.2663 -6.1534 -6.1411 0.9249 0.9336 1.0721 1.0757 1.5796 1.5827 2.0623 2.0666 2.1879 2.2022 2.3115 2.3118 2.4546 2.4592 2.5186 2.5354 2.7555 2.7774 2.8753 2.9067 3.1383 3.1567 3.2929 3.3182 3.7839 3.7883 4.0079 4.0891 4.1001 4.1078 4.1252 4.1479 4.2460 4.2576 4.2779 4.3171 4.4592 4.5268 4.5613 4.6030 4.6861 4.7030 4.7667 4.7973 4.9537 4.9742 5.0798 5.1320 5.4500 5.5138 5.5873 5.5874 5.8975 5.9064 8.3507 8.3684 8.3849 8.4113 8.5843 8.5890 8.9524 9.0260 9.0814 9.0837 10.4504 10.4542 11.8405 11.8537 k = 0.3171 0.3171-0.0000 ( 6304 PWs) bands (ev): -48.6007 -48.6007 -26.2749 -26.2749 -24.2077 -24.2077 -24.2059 -24.2059 -6.8100 -6.8095 -6.2970 -6.2886 -6.2638 -6.2581 -6.1481 -6.1358 0.9033 0.9117 1.0448 1.0484 1.6083 1.6116 2.0366 2.0403 2.1851 2.1999 2.3072 2.3081 2.4610 2.4665 2.5329 2.5511 2.7586 2.7818 2.9058 2.9386 3.1504 3.1693 3.3140 3.3402 3.7796 3.7848 4.0045 4.0851 4.0912 4.1034 4.1165 4.1472 4.2455 4.2564 4.2829 4.3207 4.4780 4.5151 4.5505 4.6242 4.6821 4.6928 4.7688 4.7944 4.9622 4.9799 5.1042 5.1532 5.4338 5.4975 5.6012 5.6031 5.8911 5.9004 8.3360 8.3577 8.3747 8.3989 8.5877 8.5925 8.9234 8.9987 9.0586 9.0606 10.3737 10.3774 11.8793 11.8927 k = 0.3049 0.3049-0.0000 ( 6308 PWs) bands (ev): -48.6008 -48.6008 -26.2748 -26.2748 -24.2076 -24.2076 -24.2058 -24.2058 -6.8316 -6.8311 -6.2885 -6.2801 -6.2554 -6.2497 -6.1431 -6.1309 0.8812 0.8893 1.0166 1.0203 1.6368 1.6402 2.0116 2.0146 2.1824 2.1975 2.3018 2.3034 2.4705 2.4764 2.5478 2.5674 2.7620 2.7865 2.9366 2.9706 3.1625 3.1817 3.3340 3.3608 3.7750 3.7808 4.0017 4.0738 4.0770 4.1071 4.1112 4.1472 4.2468 4.2558 4.2886 4.3246 4.4956 4.5037 4.5413 4.6449 4.6776 4.6823 4.7712 4.7918 4.9700 4.9845 5.1300 5.1752 5.4140 5.4775 5.6166 5.6199 5.8880 5.8978 8.3216 8.3475 8.3652 8.3867 8.5907 8.5956 8.8941 8.9703 9.0342 9.0358 10.2959 10.2994 11.9107 11.9236 k = 0.2927 0.2927-0.0000 ( 6310 PWs) bands (ev): -48.6008 -48.6008 -26.2747 -26.2747 -24.2074 -24.2074 -24.2058 -24.2058 -6.8531 -6.8526 -6.2798 -6.2713 -6.2468 -6.2411 -6.1384 -6.1265 0.8588 0.8666 0.9877 0.9915 1.6648 1.6683 1.9878 1.9900 2.1797 2.1951 2.2956 2.2977 2.4828 2.4887 2.5634 2.5843 2.7657 2.7913 2.9675 3.0024 3.1746 3.1941 3.3528 3.3802 3.7700 3.7761 3.9995 4.0554 4.0646 4.1099 4.1116 4.1479 4.2497 4.2559 4.2950 4.3289 4.4927 4.5083 4.5372 4.6646 4.6717 4.6723 4.7741 4.7896 4.9771 4.9882 5.1570 5.1982 5.3914 5.4543 5.6331 5.6377 5.8877 5.8980 8.3077 8.3377 8.3565 8.3750 8.5930 8.5980 8.8644 8.9411 9.0083 9.0094 10.2170 10.2204 11.9352 11.9462 k = 0.2805 0.2805-0.0000 ( 6312 PWs) bands (ev): -48.6008 -48.6008 -26.2747 -26.2747 -24.2073 -24.2073 -24.2057 -24.2057 -6.8744 -6.8740 -6.2708 -6.2624 -6.2380 -6.2325 -6.1341 -6.1224 0.8363 0.8437 0.9583 0.9621 1.6918 1.6951 1.9655 1.9668 2.1771 2.1927 2.2887 2.2912 2.4976 2.5032 2.5795 2.6017 2.7698 2.7963 2.9984 3.0341 3.1867 3.2064 3.3704 3.3980 3.7646 3.7706 3.9972 4.0363 4.0508 4.1111 4.1167 4.1497 4.2540 4.2565 4.3021 4.3335 4.4823 4.5084 4.5457 4.6597 4.6661 4.6844 4.7776 4.7883 4.9833 4.9911 5.1855 5.2223 5.3666 5.4286 5.6506 5.6562 5.8897 5.9005 8.2944 8.3284 8.3486 8.3642 8.5945 8.5996 8.8345 8.9112 8.9811 8.9815 10.1372 10.1405 11.9534 11.9586 k = 0.2683 0.2683-0.0000 ( 6310 PWs) bands (ev): -48.6008 -48.6008 -26.2746 -26.2746 -24.2071 -24.2071 -24.2057 -24.2057 -6.8954 -6.8950 -6.2618 -6.2534 -6.2291 -6.2237 -6.1301 -6.1187 0.8136 0.8207 0.9287 0.9324 1.7172 1.7201 1.9456 1.9458 2.1746 2.1904 2.2815 2.2840 2.5145 2.5195 2.5960 2.6193 2.7741 2.8015 3.0293 3.0654 3.1987 3.2185 3.3867 3.4143 3.7589 3.7644 3.9928 4.0164 4.0389 4.1137 4.1222 4.1528 4.2579 4.2597 4.3098 4.3381 4.4724 4.5013 4.5611 4.6482 4.6594 4.7025 4.7818 4.7880 4.9887 4.9933 5.2153 5.2475 5.3405 5.4013 5.6689 5.6753 5.8934 5.9045 8.2818 8.3193 8.3417 8.3544 8.5951 8.6003 8.8045 8.8807 8.9525 8.9527 10.0565 10.0597 11.9656 11.9660 k = 0.2561 0.2561-0.0000 ( 6298 PWs) bands (ev): -48.6007 -48.6007 -26.2745 -26.2745 -24.2070 -24.2070 -24.2056 -24.2056 -6.9161 -6.9157 -6.2526 -6.2443 -6.2200 -6.2149 -6.1264 -6.1154 0.7910 0.7977 0.8989 0.9026 1.7397 1.7417 1.9280 1.9293 2.1721 2.1880 2.2739 2.2763 2.5331 2.5374 2.6129 2.6373 2.7789 2.8068 3.0600 3.0962 3.2107 3.2305 3.4016 3.4289 3.7528 3.7572 3.9829 3.9958 4.0331 4.1173 4.1279 4.1576 4.2598 4.2667 4.3179 4.3427 4.4632 4.4928 4.5770 4.6365 4.6525 4.7193 4.7870 4.7888 4.9932 4.9949 5.2464 5.2727 5.3150 5.3731 5.6877 5.6947 5.8983 5.9095 8.2701 8.3104 8.3357 8.3459 8.5947 8.5998 8.7746 8.8497 8.9223 8.9234 9.9751 9.9783 11.9721 11.9745 k = 0.2439 0.2439-0.0000 ( 6298 PWs) bands (ev): -48.6007 -48.6007 -26.2744 -26.2744 -24.2068 -24.2068 -24.2056 -24.2056 -6.9364 -6.9360 -6.2434 -6.2352 -6.2109 -6.2060 -6.1231 -6.1125 0.7685 0.7748 0.8691 0.8727 1.7574 1.7581 1.9154 1.9186 2.1698 2.1857 2.2661 2.2683 2.5530 2.5564 2.6301 2.6554 2.7838 2.8120 3.0904 3.1263 3.2226 3.2424 3.4150 3.4419 3.7462 3.7492 3.9670 3.9748 4.0341 4.1215 4.1335 4.1643 4.2622 4.2746 4.3264 4.3472 4.4548 4.4842 4.5908 4.6246 4.6468 4.7345 4.7908 4.7932 4.9960 4.9969 5.2779 5.2781 5.3105 5.3450 5.7066 5.7143 5.9039 5.9150 8.2593 8.3017 8.3306 8.3390 8.5930 8.5981 8.7448 8.8185 8.8914 8.8934 9.8931 9.8963 11.9795 11.9821 k = 0.2317 0.2317-0.0000 ( 6304 PWs) bands (ev): -48.6008 -48.6008 -26.2744 -26.2744 -24.2067 -24.2067 -24.2055 -24.2055 -6.9561 -6.9558 -6.2342 -6.2262 -6.2019 -6.1972 -6.1201 -6.1100 0.7463 0.7522 0.8394 0.8430 1.7669 1.7677 1.9105 1.9158 2.1676 2.1834 2.2582 2.2602 2.5740 2.5765 2.6474 2.6736 2.7888 2.8173 3.1204 3.1557 3.2345 3.2541 3.4270 3.4532 3.7391 3.7404 3.9475 3.9532 4.0400 4.1263 4.1390 4.1729 4.2651 4.2835 4.3352 4.3513 4.4475 4.4758 4.5990 4.6126 4.6457 4.7479 4.7937 4.8008 4.9967 4.9998 5.2531 5.3006 5.3273 5.3375 5.7256 5.7338 5.9098 5.9207 8.2495 8.2932 8.3264 8.3335 8.5901 8.5950 8.7155 8.7873 8.8599 8.8628 9.8106 9.8137 11.9880 11.9883 k = 0.2195 0.2195-0.0000 ( 6308 PWs) bands (ev): -48.6008 -48.6008 -26.2743 -26.2743 -24.2065 -24.2065 -24.2055 -24.2055 -6.9752 -6.9749 -6.2251 -6.2172 -6.1928 -6.1884 -6.1174 -6.1078 0.7245 0.7300 0.8102 0.8137 1.7669 1.7688 1.9149 1.9218 2.1654 2.1812 2.2502 2.2519 2.5956 2.5972 2.6649 2.6916 2.7942 2.8226 3.1498 3.1843 3.2464 3.2657 3.4377 3.4629 3.7308 3.7316 3.9260 3.9312 4.0489 4.1316 4.1442 4.1834 4.2685 4.2933 4.3441 4.3546 4.4414 4.4677 4.5982 4.6008 4.6527 4.7592 4.7977 4.8099 4.9973 5.0021 5.2258 5.2805 5.3536 5.3689 5.7443 5.7530 5.9157 5.9261 8.2408 8.2852 8.3231 8.3294 8.5857 8.5904 8.6867 8.7562 8.8280 8.8320 9.7276 9.7309 11.9930 11.9962 k = 0.2073 0.2073-0.0000 ( 6322 PWs) bands (ev): -48.6009 -48.6009 -26.2742 -26.2742 -24.2064 -24.2064 -24.2054 -24.2054 -6.9937 -6.9935 -6.2161 -6.2085 -6.1839 -6.1798 -6.1149 -6.1059 0.7031 0.7083 0.7815 0.7849 1.7598 1.7622 1.9273 1.9350 2.1634 2.1790 2.2423 2.2436 2.6177 2.6183 2.6822 2.7094 2.7996 2.8277 3.1785 3.2118 3.2583 3.2773 3.4469 3.4711 3.7206 3.7235 3.9033 3.9088 4.0601 4.1374 4.1494 4.1954 4.2724 4.3037 4.3531 4.3569 4.4370 4.4601 4.5890 4.5910 4.6655 4.7686 4.8025 4.8203 4.9978 5.0038 5.1987 5.2525 5.3895 5.4023 5.7625 5.7717 5.9214 5.9312 8.2334 8.2777 8.3206 8.3266 8.5797 8.5840 8.6588 8.7254 8.7960 8.8012 9.6444 9.6477 11.9972 11.9997 k = 0.1951 0.1951-0.0000 ( 6320 PWs) bands (ev): -48.6009 -48.6009 -26.2742 -26.2742 -24.2062 -24.2062 -24.2054 -24.2054 -7.0115 -7.0112 -6.2072 -6.1999 -6.1751 -6.1713 -6.1126 -6.1043 0.6824 0.6872 0.7534 0.7567 1.7484 1.7508 1.9446 1.9526 2.1615 2.1769 2.2344 2.2353 2.6397 2.6400 2.6995 2.7268 2.8052 2.8328 3.2063 3.2382 3.2704 3.2889 3.4549 3.4779 3.7097 3.7149 3.8801 3.8862 4.0729 4.1438 4.1547 4.2089 4.2768 4.3147 4.3578 4.3620 4.4345 4.4529 4.5774 4.5808 4.6808 4.7766 4.8080 4.8317 4.9982 5.0050 5.1724 5.2243 5.4273 5.4373 5.7800 5.7897 5.9268 5.9357 8.2272 8.2712 8.3190 8.3249 8.5722 8.5756 8.6322 8.6954 8.7642 8.7706 9.5610 9.5645 12.0017 12.0028 k = 0.1829 0.1829-0.0000 ( 6318 PWs) bands (ev): -48.6009 -48.6009 -26.2741 -26.2741 -24.2061 -24.2061 -24.2053 -24.2053 -7.0284 -7.0283 -6.1987 -6.1917 -6.1665 -6.1630 -6.1106 -6.1029 0.6624 0.6668 0.7262 0.7294 1.7348 1.7370 1.9642 1.9722 2.1598 2.1749 2.2267 2.2272 2.6610 2.6623 2.7166 2.7438 2.8109 2.8377 3.2332 3.2633 3.2827 3.3006 3.4617 3.4835 3.6985 3.7057 3.8564 3.8633 4.0869 4.1509 4.1601 4.2233 4.2816 4.3260 4.3573 4.3707 4.4339 4.4463 4.5660 4.5695 4.6971 4.7835 4.8142 4.8436 4.9987 5.0056 5.1471 5.1966 5.4664 5.4737 5.7966 5.8068 5.9317 5.9397 8.2225 8.2657 8.3182 8.3243 8.5631 8.5648 8.6076 8.6662 8.7328 8.7405 9.4777 9.4814 12.0066 12.0068 k = 0.1707 0.1707-0.0000 ( 6316 PWs) bands (ev): -48.6009 -48.6009 -26.2740 -26.2740 -24.2060 -24.2059 -24.2053 -24.2053 -7.0446 -7.0444 -6.1903 -6.1838 -6.1581 -6.1550 -6.1087 -6.1017 0.6433 0.6473 0.6999 0.7030 1.7204 1.7223 1.9847 1.9926 2.1581 2.1729 2.2193 2.2193 2.6820 2.6842 2.7333 2.7600 2.8167 2.8424 3.2590 3.2870 3.2953 3.3127 3.4674 3.4878 3.6869 3.6961 3.8324 3.8402 4.1017 4.1586 4.1655 4.2385 4.2868 4.3375 4.3554 4.3791 4.4353 4.4401 4.5548 4.5576 4.7139 4.7897 4.8208 4.8557 4.9992 5.0056 5.1233 5.1699 5.5063 5.5112 5.8121 5.8228 5.9361 5.9429 8.2194 8.2614 8.3181 8.3246 8.5510 8.5523 8.5858 8.6382 8.7019 8.7110 9.3948 9.3986 12.0113 12.0127 k = 0.1585 0.1585-0.0000 ( 6312 PWs) bands (ev): -48.6009 -48.6009 -26.2740 -26.2740 -24.2058 -24.2058 -24.2052 -24.2052 -7.0598 -7.0597 -6.1824 -6.1764 -6.1501 -6.1473 -6.1069 -6.1007 0.6250 0.6287 0.6748 0.6777 1.7059 1.7075 2.0052 2.0128 2.1565 2.1709 2.2118 2.2122 2.7026 2.7056 2.7496 2.7755 2.8225 2.8469 3.2835 3.3084 3.3088 3.3255 3.4721 3.4912 3.6750 3.6860 3.8084 3.8171 4.1167 4.1671 4.1709 4.2541 4.2923 4.3486 4.3528 4.3867 4.4345 4.4381 4.5438 4.5457 4.7308 4.7954 4.8278 4.8677 4.9998 5.0049 5.1013 5.1442 5.5469 5.5497 5.8264 5.8376 5.9400 5.9456 8.2179 8.2586 8.3188 8.3257 8.5339 8.5400 8.5673 8.6116 8.6719 8.6824 9.3123 9.3164 12.0172 12.0195 k = 0.1463 0.1463-0.0000 ( 6302 PWs) bands (ev): -48.6008 -48.6008 -26.2739 -26.2739 -24.2057 -24.2057 -24.2052 -24.2052 -7.0742 -7.0741 -6.1749 -6.1694 -6.1423 -6.1399 -6.1053 -6.0999 0.6078 0.6111 0.6510 0.6537 1.6919 1.6931 2.0250 2.0323 2.1551 2.1690 2.2046 2.2054 2.7225 2.7262 2.7655 2.7900 2.8285 2.8512 3.3062 3.3225 3.3277 3.3400 3.4760 3.4936 3.6630 3.6755 3.7843 3.7938 4.1314 4.1764 4.1768 4.2698 4.2981 4.3485 4.3604 4.3935 4.4296 4.4420 4.5332 4.5339 4.7476 4.8008 4.8352 4.8795 5.0002 5.0032 5.0816 5.1201 5.5877 5.5886 5.8392 5.8509 5.9434 5.9477 8.2183 8.2573 8.3201 8.3275 8.5148 8.5261 8.5512 8.5866 8.6429 8.6549 9.2308 9.2350 12.0242 12.0274 k = 0.1341 0.1341-0.0000 ( 6306 PWs) bands (ev): -48.6008 -48.6008 -26.2738 -26.2738 -24.2056 -24.2056 -24.2051 -24.2051 -7.0875 -7.0874 -6.1678 -6.1630 -6.1350 -6.1329 -6.1037 -6.0991 0.5916 0.5946 0.6285 0.6311 1.6784 1.6794 2.0439 2.0509 2.1537 2.1672 2.1979 2.1991 2.7414 2.7457 2.7807 2.8035 2.8346 2.8552 3.3263 3.3384 3.3432 3.3570 3.4792 3.4953 3.6509 3.6646 3.7604 3.7705 4.1453 4.1817 4.1876 4.2853 4.3042 4.3444 4.3711 4.3990 4.4255 4.4466 4.5225 4.5228 4.7641 4.8059 4.8429 4.8909 5.0000 5.0004 5.0650 5.0977 5.6277 5.6283 5.8504 5.8626 5.9465 5.9494 8.2206 8.2579 8.3221 8.3301 8.4953 8.5110 8.5361 8.5633 8.6150 8.6287 9.1504 9.1547 12.0324 12.0363 k = 0.1220 0.1220-0.0000 ( 6310 PWs) bands (ev): -48.6009 -48.6009 -26.2738 -26.2738 -24.2055 -24.2055 -24.2051 -24.2051 -7.0998 -7.0998 -6.1613 -6.1572 -6.1282 -6.1263 -6.1022 -6.0985 0.5766 0.5793 0.6076 0.6100 1.6658 1.6665 2.0617 2.0682 2.1525 2.1653 2.1917 2.1934 2.7592 2.7640 2.7953 2.8158 2.8408 2.8589 3.3433 3.3567 3.3569 3.3748 3.4818 3.4964 3.6388 3.6534 3.7366 3.7473 4.1581 4.1870 4.1997 4.3002 4.3104 4.3402 4.3812 4.4028 4.4224 4.4515 4.5119 4.5126 4.7798 4.8107 4.8510 4.9018 4.9948 4.9999 5.0521 5.0776 5.6665 5.6682 5.8601 5.8725 5.9494 5.9510 8.2251 8.2606 8.3246 8.3331 8.4765 8.4951 8.5215 8.5417 8.5885 8.6038 9.0717 9.0760 12.0416 12.0462 k = 0.1098 0.1098-0.0000 ( 6310 PWs) bands (ev): -48.6009 -48.6009 -26.2737 -26.2737 -24.2054 -24.2054 -24.2051 -24.2051 -7.1111 -7.1111 -6.1553 -6.1519 -6.1218 -6.1202 -6.1007 -6.0978 0.5629 0.5653 0.5883 0.5905 1.6541 1.6547 2.0780 2.0841 2.1513 2.1634 2.1863 2.1882 2.7756 2.7807 2.8093 2.8269 2.8472 2.8623 3.3589 3.3703 3.3757 3.3920 3.4838 3.4970 3.6268 3.6418 3.7132 3.7243 4.1696 4.1922 4.2130 4.3141 4.3167 4.3362 4.3905 4.4045 4.4206 4.4565 4.5023 4.5027 4.7940 4.8151 4.8597 4.9120 4.9875 4.9981 5.0434 5.0606 5.7043 5.7069 5.8682 5.8806 5.9521 5.9526 8.2320 8.2654 8.3278 8.3367 8.4590 8.4790 8.5071 8.5217 8.5634 8.5804 8.9950 8.9992 12.0518 12.0567 k = 0.0976 0.0976-0.0000 ( 6303 PWs) bands (ev): -48.6008 -48.6008 -26.2737 -26.2737 -24.2053 -24.2053 -24.2050 -24.2050 -7.1213 -7.1212 -6.1500 -6.1473 -6.1160 -6.1146 -6.0992 -6.0972 0.5504 0.5525 0.5708 0.5727 1.6435 1.6439 2.0928 2.0983 2.1502 2.1614 2.1816 2.1837 2.7905 2.7956 2.8224 2.8369 2.8537 2.8655 3.3742 3.3838 3.3943 3.4083 3.4855 3.4972 3.6150 3.6302 3.6902 3.7014 4.1799 4.1971 4.2270 4.3223 4.3274 4.3326 4.3989 4.4045 4.4195 4.4614 4.4930 4.4943 4.8061 4.8190 4.8694 4.9214 4.9789 4.9942 5.0382 5.0477 5.7406 5.7437 5.8746 5.8868 5.9546 5.9550 8.2413 8.2727 8.3316 8.3408 8.4431 8.4631 8.4931 8.5031 8.5399 8.5586 8.9208 8.9249 12.0627 12.0678 k = 0.0854 0.0854-0.0000 ( 6309 PWs) bands (ev): -48.6009 -48.6009 -26.2737 -26.2737 -24.2052 -24.2052 -24.2050 -24.2050 -7.1303 -7.1303 -6.1453 -6.1434 -6.1107 -6.1095 -6.0979 -6.0965 0.5393 0.5411 0.5551 0.5568 1.6340 1.6343 2.1060 2.1109 2.1491 2.1593 2.1779 2.1800 2.8035 2.8083 2.8347 2.8460 2.8600 2.8685 3.3898 3.3976 3.4120 3.4235 3.4870 3.4971 3.6035 3.6183 3.6676 3.6788 4.1891 4.2018 4.2413 4.3279 4.3295 4.3387 4.4039 4.4062 4.4181 4.4658 4.4837 4.4880 4.8154 4.8223 4.8800 4.9298 4.9702 4.9876 5.0354 5.0396 5.7745 5.7779 5.8796 5.8911 5.9571 5.9580 8.2533 8.2826 8.3359 8.3453 8.4289 8.4481 8.4798 8.4858 8.5180 8.5384 8.8496 8.8533 12.0739 12.0791 k = 0.0732 0.0732-0.0000 ( 6323 PWs) bands (ev): -48.6009 -48.6009 -26.2736 -26.2736 -24.2051 -24.2051 -24.2050 -24.2050 -7.1382 -7.1382 -6.1414 -6.1400 -6.1061 -6.1051 -6.0966 -6.0958 0.5296 0.5311 0.5413 0.5428 1.6257 1.6259 2.1173 2.1216 2.1481 2.1570 2.1753 2.1771 2.8148 2.8187 2.8459 2.8544 2.8658 2.8712 3.4056 3.4117 3.4287 3.4377 3.4882 3.4969 3.5922 3.6064 3.6456 3.6566 4.1973 4.2061 4.2556 4.3270 4.3326 4.3478 4.4037 4.4123 4.4158 4.4689 4.4753 4.4839 4.8219 4.8249 4.8914 4.9371 4.9624 4.9792 5.0341 5.0355 5.8053 5.8087 5.8834 5.8937 5.9602 5.9613 8.2681 8.2953 8.3409 8.3501 8.4165 8.4344 8.4675 8.4700 8.4980 8.5198 8.7819 8.7851 12.0851 12.0902 k = 0.0610 0.0610-0.0000 ( 6321 PWs) bands (ev): -48.6009 -48.6009 -26.2736 -26.2736 -24.2051 -24.2051 -24.2050 -24.2050 -7.1449 -7.1449 -6.1381 -6.1373 -6.1021 -6.1013 -6.0954 -6.0951 0.5213 0.5226 0.5295 0.5308 1.6186 1.6187 2.1267 2.1302 2.1472 2.1546 2.1737 2.1751 2.8241 2.8269 2.8559 2.8622 2.8710 2.8737 3.4216 3.4260 3.4444 3.4508 3.4894 3.4966 3.5814 3.5946 3.6242 3.6348 4.2045 4.2101 4.2697 4.3255 4.3361 4.3541 4.4042 4.4133 4.4172 4.4639 4.4747 4.4817 4.8258 4.8268 4.9032 4.9430 4.9561 4.9705 5.0337 5.0340 5.8322 5.8353 5.8861 5.8951 5.9641 5.9651 8.2858 8.3109 8.3464 8.3552 8.4061 8.4222 8.4561 8.4565 8.4801 8.5029 8.7181 8.7206 12.0959 12.1007 k = 0.0488 0.0488-0.0000 ( 6313 PWs) bands (ev): -48.6009 -48.6009 -26.2736 -26.2736 -24.2050 -24.2050 -24.2049 -24.2049 -7.1505 -7.1505 -6.1356 -6.1351 -6.0987 -6.0981 -6.0944 -6.0943 0.5145 0.5156 0.5198 0.5208 1.6127 1.6128 2.1342 2.1369 2.1465 2.1523 2.1730 2.1739 2.8314 2.8331 2.8646 2.8691 2.8753 2.8761 3.4375 3.4403 3.4591 3.4629 3.4907 3.4965 3.5712 3.5830 3.6038 3.6136 4.2105 4.2136 4.2834 4.3250 4.3381 4.3568 4.4053 4.4125 4.4208 4.4553 4.4772 4.4808 4.8278 4.8279 4.9146 4.9473 4.9515 4.9628 5.0338 5.0338 5.8545 5.8570 5.8882 5.8955 5.9686 5.9693 8.3061 8.3295 8.3524 8.3603 8.3976 8.4117 8.4445 8.4471 8.4649 8.4878 8.6587 8.6604 12.1059 12.1100 k = 0.0366 0.0366-0.0000 ( 6323 PWs) bands (ev): -48.6010 -48.6010 -26.2736 -26.2736 -24.2050 -24.2050 -24.2049 -24.2049 -7.1548 -7.1548 -6.1336 -6.1334 -6.0961 -6.0957 -6.0937 -6.0935 0.5093 0.5100 0.5123 0.5130 1.6082 1.6082 2.1396 2.1415 2.1459 2.1502 2.1731 2.1736 2.8369 2.8377 2.8717 2.8748 2.8782 2.8785 3.4526 3.4541 3.4727 3.4740 3.4925 3.4968 3.5619 3.5719 3.5845 3.5933 4.2151 4.2165 4.2965 4.3254 4.3382 4.3552 4.4071 4.4142 4.4232 4.4467 4.4793 4.4808 4.8284 4.8284 4.9250 4.9483 4.9499 4.9565 5.0341 5.0342 5.8715 5.8734 5.8896 5.8952 5.9733 5.9737 8.3285 8.3504 8.3589 8.3655 8.3907 8.4029 8.4364 8.4393 8.4534 8.4745 8.6042 8.6051 12.1144 12.1178 k = 0.0244 0.0244-0.0000 ( 6323 PWs) bands (ev): -48.6010 -48.6010 -26.2735 -26.2735 -24.2049 -24.2049 -24.2049 -24.2049 -7.1579 -7.1579 -6.1323 -6.1323 -6.0942 -6.0939 -6.0932 -6.0930 0.5055 0.5060 0.5069 0.5074 1.6049 1.6049 2.1432 2.1444 2.1456 2.1484 2.1736 2.1738 2.8406 2.8408 2.8770 2.8790 2.8800 2.8807 3.4652 3.4658 3.4844 3.4853 3.4950 3.4978 3.5541 3.5617 3.5671 3.5744 4.2184 4.2189 4.3090 4.3269 4.3370 4.3499 4.4106 4.4172 4.4242 4.4382 4.4807 4.4812 4.8284 4.8285 4.9340 4.9465 4.9503 4.9521 5.0345 5.0346 5.8834 5.8846 5.8908 5.8945 5.9777 5.9778 8.3511 8.3655 8.3704 8.3716 8.3855 8.3958 8.4338 8.4342 8.4470 8.4634 8.5554 8.5556 12.1212 12.1235 k = 0.0122 0.0122-0.0000 ( 6351 PWs) bands (ev): -48.6011 -48.6011 -26.2736 -26.2736 -24.2049 -24.2049 -24.2049 -24.2049 -7.1597 -7.1597 -6.1316 -6.1316 -6.0930 -6.0929 -6.0928 -6.0926 0.5033 0.5036 0.5037 0.5039 1.6029 1.6029 2.1451 2.1456 2.1457 2.1470 2.1740 2.1740 2.8427 2.8427 2.8804 2.8813 2.8814 2.8819 3.4731 3.4732 3.4942 3.4960 3.4981 3.4996 3.5491 3.5534 3.5536 3.5583 4.2203 4.2204 4.3207 4.3291 4.3345 4.3417 4.4159 4.4202 4.4240 4.4301 4.4815 4.4816 4.8283 4.8283 4.9412 4.9459 4.9482 4.9498 5.0349 5.0349 5.8902 5.8908 5.8917 5.8936 5.9807 5.9807 8.3692 8.3716 8.3748 8.3809 8.3862 8.3905 8.4380 8.4399 8.4457 8.4545 8.5142 8.5144 12.1256 12.1269 k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -48.6011 -48.6011 -26.2736 -26.2736 -24.2049 -24.2049 -24.2049 -24.2049 -7.1604 -7.1604 -6.1313 -6.1313 -6.0926 -6.0926 -6.0926 -6.0926 0.5027 0.5027 0.5027 0.5027 1.6022 1.6022 2.1460 2.1460 2.1460 2.1460 2.1742 2.1742 2.8433 2.8433 2.8820 2.8820 2.8820 2.8820 3.4756 3.4756 3.5001 3.5001 3.5001 3.5001 3.5491 3.5491 3.5491 3.5491 4.2209 4.2209 4.3318 4.3318 4.3318 4.3318 4.4226 4.4226 4.4226 4.4226 4.4818 4.4818 4.8282 4.8282 4.9465 4.9465 4.9465 4.9465 5.0350 5.0350 5.8927 5.8927 5.8927 5.8927 5.9818 5.9818 8.3768 8.3768 8.3768 8.3768 8.3886 8.3886 8.4484 8.4484 8.4484 8.4484 8.4928 8.4928 12.1276 12.1276 k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -48.6011 -48.6011 -26.2736 -26.2736 -24.2049 -24.2049 -24.2049 -24.2049 -7.1604 -7.1604 -6.1313 -6.1313 -6.0926 -6.0926 -6.0926 -6.0926 0.5027 0.5027 0.5027 0.5027 1.6022 1.6022 2.1460 2.1460 2.1460 2.1460 2.1742 2.1742 2.8433 2.8433 2.8820 2.8820 2.8820 2.8820 3.4756 3.4756 3.5001 3.5001 3.5001 3.5001 3.5491 3.5491 3.5491 3.5491 4.2209 4.2209 4.3318 4.3318 4.3318 4.3318 4.4226 4.4226 4.4226 4.4226 4.4818 4.4818 4.8282 4.8282 4.9465 4.9465 4.9465 4.9465 5.0350 5.0350 5.8927 5.8927 5.8927 5.8927 5.9818 5.9818 8.3768 8.3768 8.3768 8.3768 8.3886 8.3886 8.4484 8.4484 8.4484 8.4484 8.4928 8.4928 12.1276 12.1276 k = 0.0100 0.0100 0.0100 ( 6352 PWs) bands (ev): -48.6011 -48.6011 -26.2736 -26.2736 -24.2049 -24.2049 -24.2049 -24.2049 -7.1597 -7.1597 -6.1316 -6.1316 -6.0930 -6.0928 -6.0928 -6.0927 0.5034 0.5036 0.5036 0.5038 1.6029 1.6029 2.1454 2.1456 2.1456 2.1470 2.1740 2.1740 2.8427 2.8427 2.8804 2.8814 2.8814 2.8817 3.4732 3.4732 3.4944 3.4969 3.4980 3.4980 3.5505 3.5533 3.5533 3.5578 4.2203 4.2203 4.3203 4.3318 4.3318 4.3420 4.4157 4.4220 4.4220 4.4304 4.4815 4.4815 4.8283 4.8283 4.9409 4.9472 4.9472 4.9498 5.0349 5.0349 5.8904 5.8904 5.8917 5.8937 5.9807 5.9807 8.3718 8.3718 8.3719 8.3812 8.3882 8.3882 8.4389 8.4389 8.4455 8.4550 8.5144 8.5144 12.1267 12.1274 k = 0.0200 0.0200 0.0200 ( 6322 PWs) bands (ev): -48.6010 -48.6010 -26.2735 -26.2735 -24.2049 -24.2049 -24.2049 -24.2049 -7.1578 -7.1578 -6.1323 -6.1323 -6.0939 -6.0935 -6.0935 -6.0934 0.5061 0.5065 0.5065 0.5069 1.6049 1.6049 2.1441 2.1441 2.1452 2.1484 2.1736 2.1736 2.8407 2.8407 2.8772 2.8796 2.8799 2.8799 3.4666 3.4666 3.4845 3.4866 3.4933 3.4933 3.5603 3.5638 3.5638 3.5720 4.2186 4.2186 4.3081 4.3321 4.3321 4.3503 4.4108 4.4203 4.4203 4.4389 4.4809 4.4809 4.8284 4.8284 4.9331 4.9494 4.9494 4.9510 5.0346 5.0346 5.8835 5.8835 5.8910 5.8950 5.9778 5.9778 8.3588 8.3588 8.3673 8.3836 8.3836 8.3843 8.4349 8.4349 8.4472 8.4647 8.5558 8.5558 12.1245 12.1266 k = 0.0300 0.0300 0.0300 ( 6319 PWs) bands (ev): -48.6009 -48.6009 -26.2736 -26.2736 -24.2050 -24.2049 -24.2049 -24.2049 -7.1547 -7.1547 -6.1335 -6.1335 -6.0953 -6.0947 -6.0947 -6.0946 0.5106 0.5112 0.5112 0.5119 1.6082 1.6082 2.1412 2.1412 2.1452 2.1500 2.1731 2.1731 2.8374 2.8374 2.8722 2.8758 2.8773 2.8773 3.4569 3.4569 3.4733 3.4736 3.4879 3.4879 3.5741 3.5776 3.5776 3.5886 4.2158 4.2158 4.2952 4.3323 4.3323 4.3551 4.4090 4.4175 4.4175 4.4477 4.4799 4.4799 4.8284 4.8284 4.9233 4.9500 4.9532 4.9532 5.0342 5.0342 5.8712 5.8712 5.8902 5.8962 5.9737 5.9737 8.3408 8.3408 8.3632 8.3777 8.3777 8.3857 8.4420 8.4420 8.4537 8.4769 8.6052 8.6052 12.1220 12.1253 k = 0.0400 0.0400 0.0400 ( 6325 PWs) bands (ev): -48.6010 -48.6010 -26.2736 -26.2736 -24.2050 -24.2050 -24.2050 -24.2050 -7.1504 -7.1504 -6.1352 -6.1352 -6.0972 -6.0963 -6.0963 -6.0963 0.5171 0.5177 0.5177 0.5187 1.6128 1.6128 2.1366 2.1366 2.1455 2.1519 2.1728 2.1728 2.8327 2.8327 2.8656 2.8702 2.8739 2.8739 3.4456 3.4456 3.4599 3.4620 3.4816 3.4816 3.5898 3.5931 3.5931 3.6063 4.2121 4.2121 4.2817 4.3322 4.3322 4.3554 4.4114 4.4137 4.4137 4.4566 4.4787 4.4787 4.8277 4.8277 4.9117 4.9472 4.9588 4.9588 5.0340 5.0340 5.8530 5.8530 5.8894 5.8974 5.9695 5.9695 8.3224 8.3224 8.3600 8.3733 8.3733 8.3858 8.4546 8.4546 8.4646 8.4914 8.6603 8.6603 12.1192 12.1235 k = 0.0500 0.0500 0.0500 ( 6319 PWs) bands (ev): -48.6009 -48.6009 -26.2736 -26.2736 -24.2050 -24.2050 -24.2050 -24.2050 -7.1448 -7.1448 -6.1373 -6.1373 -6.0996 -6.0985 -6.0984 -6.0984 0.5253 0.5261 0.5261 0.5274 1.6187 1.6187 2.1303 2.1303 2.1462 2.1541 2.1730 2.1730 2.8266 2.8266 2.8574 2.8628 2.8696 2.8696 3.4337 3.4337 3.4463 3.4509 3.4743 3.4743 3.6068 3.6097 3.6097 3.6248 4.2075 4.2075 4.2678 4.3319 4.3319 4.3519 4.4091 4.4091 4.4175 4.4656 4.4773 4.4773 4.8262 4.8262 4.8985 4.9426 4.9661 4.9661 5.0346 5.0346 5.8288 5.8288 5.8885 5.8986 5.9657 5.9657 8.3062 8.3062 8.3575 8.3701 8.3701 8.3851 8.4705 8.4705 8.4792 8.5080 8.7203 8.7203 12.1161 12.1216 k = 0.0600 0.0600 0.0600 ( 6313 PWs) bands (ev): -48.6009 -48.6009 -26.2736 -26.2736 -24.2051 -24.2051 -24.2051 -24.2050 -7.1380 -7.1380 -6.1399 -6.1399 -6.1026 -6.1012 -6.1008 -6.1008 0.5354 0.5363 0.5363 0.5379 1.6259 1.6259 2.1222 2.1222 2.1473 2.1567 2.1737 2.1737 2.8191 2.8191 2.8477 2.8538 2.8647 2.8647 3.4217 3.4217 3.4331 3.4401 3.4656 3.4656 3.6247 3.6269 3.6269 3.6436 4.2020 4.2020 4.2535 4.3310 4.3310 4.3459 4.4038 4.4038 4.4257 4.4746 4.4758 4.4758 4.8236 4.8236 4.8840 4.9367 4.9746 4.9746 5.0365 5.0365 5.7991 5.7991 5.8875 5.8995 5.9624 5.9624 8.2930 8.2930 8.3558 8.3680 8.3680 8.3844 8.4888 8.4888 8.4965 8.5266 8.7843 8.7843 12.1122 12.1190 k = 0.0700 0.0700 0.0700 ( 6301 PWs) bands (ev): -48.6008 -48.6008 -26.2737 -26.2737 -24.2051 -24.2051 -24.2051 -24.2051 -7.1300 -7.1300 -6.1430 -6.1430 -6.1059 -6.1044 -6.1038 -6.1038 0.5472 0.5482 0.5482 0.5501 1.6342 1.6342 2.1122 2.1122 2.1486 2.1595 2.1749 2.1749 2.8102 2.8102 2.8366 2.8432 2.8591 2.8591 3.4099 3.4099 3.4203 3.4297 3.4554 3.4554 3.6433 3.6446 3.6446 3.6628 4.1960 4.1960 4.2388 4.3293 4.3293 4.3386 4.3980 4.3980 4.4350 4.4745 4.4745 4.4834 4.8199 4.8199 4.8686 4.9298 4.9832 4.9832 5.0411 5.0411 5.7645 5.7645 5.8861 5.9001 5.9594 5.9594 8.2832 8.2832 8.3548 8.3667 8.3667 8.3837 8.5091 8.5091 8.5163 8.5470 8.8518 8.8518 12.1083 12.1163 k = 0.0800 0.0800 0.0800 ( 6313 PWs) bands (ev): -48.6009 -48.6009 -26.2737 -26.2737 -24.2052 -24.2052 -24.2052 -24.2052 -7.1209 -7.1209 -6.1465 -6.1465 -6.1098 -6.1080 -6.1071 -6.1071 0.5607 0.5618 0.5618 0.5640 1.6437 1.6437 2.1004 2.1004 2.1502 2.1626 2.1766 2.1766 2.7998 2.7998 2.8241 2.8310 2.8529 2.8529 3.3981 3.3981 3.4080 3.4197 3.4437 3.4437 3.6625 3.6625 3.6625 3.6821 4.1893 4.1893 4.2239 4.3266 4.3266 4.3306 4.3920 4.3920 4.4447 4.4731 4.4731 4.4920 4.8153 4.8153 4.8527 4.9220 4.9902 4.9902 5.0498 5.0498 5.7258 5.7258 5.8844 5.9003 5.9565 5.9565 8.2767 8.2767 8.3544 8.3662 8.3662 8.3834 8.5313 8.5313 8.5380 8.5691 8.9221 8.9221 12.1038 12.1129 k = 0.0900 0.0900 0.0900 ( 6307 PWs) bands (ev): -48.6009 -48.6009 -26.2737 -26.2737 -24.2052 -24.2052 -24.2052 -24.2052 -7.1106 -7.1106 -6.1504 -6.1504 -6.1141 -6.1121 -6.1108 -6.1108 0.5757 0.5769 0.5769 0.5795 1.6542 1.6542 2.0870 2.0870 2.1522 2.1660 2.1787 2.1787 2.7882 2.7882 2.8105 2.8174 2.8463 2.8463 3.3866 3.3866 3.3961 3.4100 3.4305 3.4305 3.6805 3.6805 3.6822 3.7015 4.1823 4.1823 4.2087 4.3223 4.3228 4.3228 4.3860 4.3860 4.4544 4.4721 4.4721 4.5004 4.8100 4.8100 4.8366 4.9139 4.9947 4.9947 5.0637 5.0637 5.6838 5.6838 5.8822 5.9000 5.9535 5.9535 8.2733 8.2733 8.3545 8.3663 8.3663 8.3833 8.5552 8.5552 8.5615 8.5927 8.9946 8.9946 12.0988 12.1091 k = 0.1000 0.1000 0.1000 ( 6313 PWs) bands (ev): -48.6009 -48.6009 -26.2738 -26.2738 -24.2053 -24.2053 -24.2053 -24.2053 -7.0992 -7.0992 -6.1547 -6.1547 -6.1188 -6.1166 -6.1148 -6.1148 0.5923 0.5935 0.5935 0.5966 1.6658 1.6658 2.0719 2.0719 2.1545 2.1696 2.1812 2.1812 2.7753 2.7753 2.7957 2.8026 2.8392 2.8392 3.3752 3.3752 3.3847 3.4006 3.4159 3.4159 3.6984 3.6984 3.7024 3.7207 4.1750 4.1750 4.1933 4.3139 4.3178 4.3178 4.3803 4.3803 4.4639 4.4712 4.4712 4.5084 4.8044 4.8044 4.8209 4.9058 4.9967 4.9967 5.0824 5.0824 5.6392 5.6392 5.8794 5.8991 5.9503 5.9503 8.2730 8.2730 8.3550 8.3669 8.3669 8.3836 8.5806 8.5806 8.5864 8.6178 9.0685 9.0685 12.0933 12.1044 k = 0.1100 0.1100 0.1100 ( 6298 PWs) bands (ev): -48.6008 -48.6008 -26.2738 -26.2738 -24.2054 -24.2054 -24.2054 -24.2054 -7.0867 -7.0867 -6.1594 -6.1594 -6.1239 -6.1216 -6.1192 -6.1192 0.6104 0.6116 0.6116 0.6150 1.6782 1.6782 2.0554 2.0554 2.1571 2.1735 2.1840 2.1840 2.7613 2.7613 2.7800 2.7866 2.8318 2.8318 3.3637 3.3637 3.3737 3.3914 3.3999 3.3999 3.7162 3.7162 3.7228 3.7397 4.1675 4.1675 4.1780 4.3055 4.3115 4.3115 4.3750 4.3750 4.4707 4.4707 4.4729 4.5160 4.7986 4.7986 4.8059 4.8979 4.9970 4.9970 5.1048 5.1048 5.5926 5.5926 5.8761 5.8975 5.9468 5.9468 8.2755 8.2755 8.3558 8.3682 8.3682 8.3843 8.6073 8.6073 8.6126 8.6442 9.1433 9.1433 12.0867 12.0984 k = 0.1200 0.1200 0.1200 ( 6313 PWs) bands (ev): -48.6009 -48.6009 -26.2739 -26.2739 -24.2055 -24.2055 -24.2055 -24.2054 -7.0731 -7.0731 -6.1645 -6.1645 -6.1293 -6.1268 -6.1239 -6.1239 0.6297 0.6309 0.6309 0.6348 1.6914 1.6914 2.0376 2.0376 2.1600 2.1776 2.1871 2.1871 2.7463 2.7463 2.7634 2.7695 2.8240 2.8240 3.3518 3.3518 3.3629 3.3824 3.3828 3.3828 3.7337 3.7337 3.7435 3.7584 4.1599 4.1599 4.1626 4.2973 4.3041 4.3041 4.3701 4.3701 4.4703 4.4703 4.4812 4.5231 4.7919 4.7930 4.7930 4.8905 4.9961 4.9961 5.1301 5.1301 5.5446 5.5446 5.8722 5.8952 5.9428 5.9428 8.2808 8.2808 8.3567 8.3699 8.3699 8.3851 8.6351 8.6351 8.6399 8.6716 9.2182 9.2182 12.0791 12.0902 k = 0.1300 0.1300 0.1300 ( 6319 PWs) bands (ev): -48.6009 -48.6009 -26.2740 -26.2740 -24.2055 -24.2055 -24.2055 -24.2055 -7.0586 -7.0586 -6.1699 -6.1699 -6.1351 -6.1325 -6.1289 -6.1289 0.6503 0.6514 0.6514 0.6559 1.7051 1.7051 2.0186 2.0186 2.1632 2.1820 2.1905 2.1905 2.7305 2.7305 2.7461 2.7517 2.8159 2.8159 3.3388 3.3388 3.3525 3.3654 3.3654 3.3733 3.7508 3.7508 3.7643 3.7767 4.1475 4.1524 4.1524 4.2894 4.2959 4.2959 4.3657 4.3657 4.4702 4.4702 4.4887 4.5295 4.7795 4.7879 4.7879 4.8840 4.9944 4.9944 5.1578 5.1578 5.4958 5.4958 5.8677 5.8923 5.9383 5.9383 8.2885 8.2885 8.3578 8.3722 8.3722 8.3861 8.6639 8.6639 8.6680 8.7000 9.2925 9.2925 12.0701 12.0802 k = 0.1400 0.1400 0.1400 ( 6325 PWs) bands (ev): -48.6009 -48.6009 -26.2740 -26.2740 -24.2056 -24.2056 -24.2056 -24.2056 -7.0431 -7.0431 -6.1756 -6.1756 -6.1412 -6.1384 -6.1341 -6.1341 0.6720 0.6730 0.6730 0.6780 1.7191 1.7191 1.9986 1.9986 2.1667 2.1865 2.1941 2.1941 2.7140 2.7140 2.7283 2.7331 2.8075 2.8075 3.3233 3.3233 3.3421 3.3490 3.3490 3.3643 3.7672 3.7672 3.7850 3.7945 4.1328 4.1451 4.1451 4.2819 4.2871 4.2871 4.3616 4.3616 4.4704 4.4704 4.4950 4.5353 4.7688 4.7833 4.7833 4.8784 4.9920 4.9920 5.1875 5.1875 5.4465 5.4465 5.8626 5.8886 5.9335 5.9335 8.2984 8.2984 8.3588 8.3753 8.3753 8.3872 8.6936 8.6936 8.6969 8.7292 9.3656 9.3656 12.0595 12.0684 k = 0.1500 0.1500 0.1500 ( 6316 PWs) bands (ev): -48.6009 -48.6009 -26.2741 -26.2741 -24.2057 -24.2057 -24.2057 -24.2057 -7.0266 -7.0266 -6.1815 -6.1815 -6.1476 -6.1447 -6.1396 -6.1396 0.6946 0.6956 0.6956 0.7011 1.7330 1.7330 1.9782 1.9782 2.1705 2.1913 2.1980 2.1980 2.6970 2.6970 2.7101 2.7141 2.7989 2.7989 3.3042 3.3042 3.3319 3.3348 3.3348 3.3552 3.7830 3.7830 3.8057 3.8116 4.1187 4.1382 4.1382 4.2751 4.2782 4.2782 4.3578 4.3578 4.4707 4.4707 4.5001 4.5404 4.7604 4.7794 4.7794 4.8740 4.9888 4.9888 5.2189 5.2189 5.3973 5.3973 5.8572 5.8844 5.9282 5.9282 8.3099 8.3099 8.3599 8.3797 8.3797 8.3884 8.7239 8.7239 8.7264 8.7591 9.4369 9.4369 12.0471 12.0545 k = 0.1600 0.1600 0.1600 ( 6319 PWs) bands (ev): -48.6009 -48.6009 -26.2742 -26.2742 -24.2058 -24.2058 -24.2058 -24.2058 -7.0093 -7.0093 -6.1878 -6.1878 -6.1542 -6.1512 -6.1453 -6.1453 0.7180 0.7189 0.7189 0.7251 1.7461 1.7461 1.9578 1.9578 2.1745 2.1962 2.2020 2.2020 2.6797 2.6797 2.6916 2.6947 2.7901 2.7901 3.2818 3.2818 3.3216 3.3224 3.3224 3.3459 3.7979 3.7979 3.8260 3.8279 4.1053 4.1317 4.1317 4.2690 4.2693 4.2693 4.3542 4.3542 4.4712 4.4712 4.5037 4.5446 4.7542 4.7762 4.7762 4.8708 4.9850 4.9850 5.2516 5.2516 5.3485 5.3485 5.8513 5.8796 5.9226 5.9226 8.3221 8.3221 8.3609 8.3859 8.3859 8.3895 8.7549 8.7549 8.7564 8.7895 9.5057 9.5057 12.0325 12.0384 k = 0.1700 0.1700 0.1700 ( 6310 PWs) bands (ev): -48.6008 -48.6008 -26.2743 -26.2743 -24.2060 -24.2060 -24.2059 -24.2059 -6.9912 -6.9912 -6.1943 -6.1943 -6.1610 -6.1579 -6.1512 -6.1512 0.7422 0.7429 0.7429 0.7497 1.7575 1.7575 1.9384 1.9384 2.1788 2.2012 2.2062 2.2062 2.6622 2.6622 2.6731 2.6753 2.7812 2.7812 3.2572 3.2572 3.3110 3.3110 3.3114 3.3364 3.8117 3.8117 3.8435 3.8458 4.0930 4.1259 4.1259 4.2607 4.2607 4.2639 4.3509 4.3509 4.4719 4.4719 4.5058 4.5481 4.7505 4.7738 4.7738 4.8690 4.9804 4.9804 5.2829 5.2829 5.3030 5.3030 5.8452 5.8744 5.9168 5.9168 8.3336 8.3336 8.3618 8.3906 8.3953 8.3953 8.7862 8.7862 8.7868 8.8204 9.5715 9.5715 12.0154 12.0197 k = 0.1800 0.1800 0.1800 ( 6319 PWs) bands (ev): -48.6009 -48.6009 -26.2743 -26.2743 -24.2061 -24.2061 -24.2061 -24.2061 -6.9723 -6.9723 -6.2010 -6.2010 -6.1681 -6.1649 -6.1572 -6.1572 0.7668 0.7674 0.7674 0.7749 1.7655 1.7655 1.9217 1.9217 2.1832 2.2062 2.2105 2.2105 2.6449 2.6449 2.6547 2.6559 2.7721 2.7721 3.2309 3.2309 3.3001 3.3001 3.3010 3.3267 3.8245 3.8245 3.8581 3.8648 4.0820 4.1207 4.1207 4.2526 4.2526 4.2597 4.3477 4.3477 4.4727 4.4727 4.5062 4.5506 4.7492 4.7720 4.7720 4.8684 4.9749 4.9749 5.2510 5.2510 5.3228 5.3228 5.8390 5.8689 5.9109 5.9109 8.3432 8.3432 8.3624 8.3916 8.4091 8.4091 8.8174 8.8179 8.8179 8.8516 9.6340 9.6340 11.9957 11.9983 k = 0.1900 0.1900 0.1900 ( 6301 PWs) bands (ev): -48.6008 -48.6008 -26.2744 -26.2744 -24.2062 -24.2062 -24.2062 -24.2062 -6.9527 -6.9527 -6.2078 -6.2078 -6.1753 -6.1720 -6.1634 -6.1634 0.7919 0.7922 0.7922 0.8005 1.7675 1.7675 1.9102 1.9102 2.1878 2.2114 2.2148 2.2148 2.6278 2.6278 2.6366 2.6369 2.7630 2.7630 3.2036 3.2036 3.2893 3.2893 3.2904 3.3166 3.8361 3.8361 3.8718 3.8827 4.0728 4.1164 4.1164 4.2453 4.2453 4.2568 4.3447 4.3447 4.4736 4.4736 4.5052 4.5524 4.7502 4.7708 4.7708 4.8691 4.9685 4.9685 5.2052 5.2052 5.3589 5.3589 5.8329 5.8632 5.9050 5.9050 8.3501 8.3501 8.3629 8.3925 8.4279 8.4279 8.8483 8.8498 8.8498 8.8829 9.6927 9.6927 11.9730 11.9739 k = 0.2000 0.2000 0.2000 ( 6322 PWs) bands (ev): -48.6009 -48.6009 -26.2745 -26.2745 -24.2063 -24.2063 -24.2063 -24.2063 -6.9324 -6.9324 -6.2148 -6.2148 -6.1826 -6.1792 -6.1697 -6.1697 0.8171 0.8171 0.8171 0.8262 1.7613 1.7613 1.9060 1.9060 2.1926 2.2165 2.2192 2.2192 2.6112 2.6112 2.6183 2.6190 2.7538 2.7538 3.1753 3.1753 3.2785 3.2785 3.2796 3.3062 3.8463 3.8463 3.8845 3.8990 4.0657 4.1128 4.1128 4.2386 4.2386 4.2549 4.3419 4.3419 4.4745 4.4745 4.5028 4.5533 4.7531 4.7698 4.7698 4.8709 4.9609 4.9609 5.1607 5.1607 5.3962 5.3962 5.8270 5.8576 5.8994 5.8994 8.3548 8.3548 8.3631 8.3931 8.4509 8.4509 8.8792 8.8817 8.8817 8.9144 9.7474 9.7474 11.9462 11.9469 k = 0.2100 0.2100 0.2100 ( 6322 PWs) bands (ev): -48.6009 -48.6009 -26.2746 -26.2746 -24.2064 -24.2064 -24.2064 -24.2064 -6.9115 -6.9115 -6.2219 -6.2219 -6.1900 -6.1866 -6.1760 -6.1760 0.8420 0.8420 0.8423 0.8520 1.7468 1.7468 1.9092 1.9092 2.1975 2.2216 2.2236 2.2236 2.5954 2.5954 2.6005 2.6020 2.7447 2.7447 3.1467 3.1467 3.2676 3.2676 3.2686 3.2954 3.8554 3.8554 3.8963 3.9134 4.0613 4.1100 4.1100 4.2329 4.2329 4.2543 4.3392 4.3392 4.4755 4.4755 4.4993 4.5535 4.7575 4.7690 4.7690 4.8736 4.9520 4.9520 5.1182 5.1182 5.4342 5.4342 5.8217 5.8523 5.8943 5.8943 8.3579 8.3579 8.3631 8.3935 8.4775 8.4775 8.9101 8.9137 8.9137 8.9459 9.7980 9.7980 11.9150 11.9173 k = 0.2200 0.2200 0.2200 ( 6307 PWs) bands (ev): -48.6008 -48.6008 -26.2747 -26.2747 -24.2065 -24.2065 -24.2065 -24.2065 -6.8902 -6.8902 -6.2291 -6.2291 -6.1975 -6.1940 -6.1824 -6.1824 0.8667 0.8667 0.8673 0.8776 1.7259 1.7259 1.9179 1.9179 2.2024 2.2266 2.2280 2.2280 2.5805 2.5805 2.5837 2.5860 2.7356 2.7356 3.1179 3.1179 3.2566 3.2566 3.2573 3.2843 3.8634 3.8634 3.9074 3.9253 4.0600 4.1081 4.1081 4.2280 4.2280 4.2549 4.3367 4.3367 4.4765 4.4765 4.4950 4.5530 4.7631 4.7678 4.7678 4.8770 4.9417 4.9417 5.0784 5.0784 5.4730 5.4730 5.8173 5.8476 5.8899 5.8899 8.3600 8.3600 8.3629 8.3937 8.5068 8.5068 8.9410 8.9456 8.9456 8.9773 9.8446 9.8446 11.8799 11.8838 k = 0.2300 0.2300 0.2300 ( 6313 PWs) bands (ev): -48.6008 -48.6008 -26.2748 -26.2748 -24.2067 -24.2067 -24.2067 -24.2067 -6.8684 -6.8684 -6.2364 -6.2364 -6.2050 -6.2015 -6.1889 -6.1889 0.8909 0.8909 0.8920 0.9028 1.7008 1.7008 1.9296 1.9296 2.2075 2.2314 2.2323 2.2323 2.5667 2.5667 2.5681 2.5710 2.7265 2.7265 3.0892 3.0892 3.2454 3.2454 3.2458 3.2728 3.8702 3.8702 3.9177 3.9343 4.0622 4.1068 4.1068 4.2240 4.2240 4.2565 4.3343 4.3343 4.4775 4.4775 4.4898 4.5519 4.7657 4.7657 4.7693 4.8808 4.9295 4.9295 5.0420 5.0420 5.5122 5.5122 5.8139 5.8437 5.8864 5.8864 8.3614 8.3614 8.3624 8.3936 8.5384 8.5384 8.9717 8.9773 8.9773 9.0085 9.8872 9.8872 11.8408 11.8460 k = 0.2400 0.2400 0.2400 ( 6319 PWs) bands (ev): -48.6008 -48.6008 -26.2749 -26.2749 -24.2068 -24.2068 -24.2068 -24.2068 -6.8462 -6.8462 -6.2437 -6.2437 -6.2125 -6.2090 -6.1954 -6.1954 0.9146 0.9146 0.9162 0.9275 1.6732 1.6732 1.9428 1.9428 2.2125 2.2361 2.2365 2.2365 2.5539 2.5543 2.5543 2.5572 2.7175 2.7175 3.0612 3.0612 3.2339 3.2340 3.2340 3.2609 3.8762 3.8762 3.9274 3.9407 4.0678 4.1061 4.1061 4.2209 4.2209 4.2592 4.3320 4.3320 4.4784 4.4784 4.4840 4.5501 4.7619 4.7619 4.7758 4.8847 4.9155 4.9155 5.0098 5.0098 5.5517 5.5517 5.8118 5.8409 5.8841 5.8841 8.3617 8.3624 8.3624 8.3933 8.5720 8.5720 9.0021 9.0087 9.0087 9.0393 9.9262 9.9262 11.7975 11.8038 k = 0.2500 0.2500 0.2500 ( 6331 PWs) bands (ev): -48.6009 -48.6009 -26.2750 -26.2750 -24.2069 -24.2069 -24.2069 -24.2069 -6.8237 -6.8237 -6.2510 -6.2510 -6.2200 -6.2165 -6.2018 -6.2018 0.9375 0.9375 0.9397 0.9515 1.6439 1.6439 1.9563 1.9563 2.2176 2.2405 2.2405 2.2406 2.5412 2.5434 2.5434 2.5449 2.7086 2.7086 3.0340 3.0340 3.2219 3.2224 3.2224 3.2487 3.8814 3.8814 3.9368 3.9448 4.0762 4.1059 4.1059 4.2184 4.2184 4.2626 4.3299 4.3299 4.4778 4.4791 4.4791 4.5478 4.7555 4.7555 4.7820 4.8885 4.8999 4.8999 4.9822 4.9822 5.5915 5.5915 5.8114 5.8395 5.8833 5.8833 8.3609 8.3629 8.3629 8.3928 8.6070 8.6070 9.0321 9.0395 9.0395 9.0697 9.9618 9.9618 11.7496 11.7570 k = 0.2600 0.2600 0.2600 ( 6319 PWs) bands (ev): -48.6008 -48.6008 -26.2750 -26.2750 -24.2070 -24.2070 -24.2070 -24.2070 -6.8010 -6.8010 -6.2582 -6.2582 -6.2274 -6.2240 -6.2083 -6.2083 0.9595 0.9595 0.9623 0.9745 1.6136 1.6136 1.9694 1.9694 2.2226 2.2445 2.2445 2.2449 2.5303 2.5341 2.5341 2.5342 2.6999 2.6999 3.0083 3.0083 3.2096 3.2107 3.2107 3.2362 3.8861 3.8861 3.9459 3.9476 4.0867 4.1062 4.1062 4.2166 4.2166 4.2667 4.3280 4.3280 4.4713 4.4798 4.4798 4.5450 4.7455 4.7455 4.7878 4.8838 4.8838 4.8918 4.9592 4.9592 5.6314 5.6314 5.8130 5.8398 5.8843 5.8843 8.3599 8.3632 8.3632 8.3921 8.6433 8.6433 9.0616 9.0698 9.0698 9.0995 9.9944 9.9944 11.6974 11.7056 k = 0.2700 0.2700 0.2700 ( 6316 PWs) bands (ev): -48.6008 -48.6008 -26.2751 -26.2751 -24.2072 -24.2072 -24.2072 -24.2072 -6.7782 -6.7782 -6.2654 -6.2654 -6.2348 -6.2313 -6.2147 -6.2147 0.9803 0.9803 0.9838 0.9965 1.5828 1.5828 1.9814 1.9814 2.2277 2.2483 2.2483 2.2490 2.5212 2.5251 2.5266 2.5266 2.6915 2.6915 2.9842 2.9842 3.1972 3.1988 3.1988 3.2235 3.8904 3.8904 3.9497 3.9550 4.0984 4.1069 4.1069 4.2153 4.2153 4.2714 4.3261 4.3261 4.4645 4.4802 4.4802 4.5418 4.7311 4.7311 4.7925 4.8689 4.8689 4.8942 4.9397 4.9397 5.6712 5.6712 5.8168 5.8421 5.8873 5.8873 8.3588 8.3634 8.3634 8.3912 8.6804 8.6804 9.0905 9.0993 9.0993 9.1285 10.0246 10.0246 11.6407 11.6495 k = 0.2800 0.2800 0.2800 ( 6310 PWs) bands (ev): -48.6007 -48.6007 -26.2752 -26.2752 -24.2073 -24.2073 -24.2073 -24.2073 -6.7553 -6.7553 -6.2725 -6.2725 -6.2420 -6.2386 -6.2210 -6.2210 0.9999 0.9999 1.0041 1.0172 1.5518 1.5518 1.9919 1.9919 2.2327 2.2521 2.2521 2.2530 2.5140 2.5177 2.5209 2.5209 2.6832 2.6832 2.9623 2.9623 3.1846 3.1868 3.1868 3.2106 3.8945 3.8945 3.9517 3.9642 4.1078 4.1078 4.1108 4.2144 4.2144 4.2764 4.3244 4.3244 4.4576 4.4804 4.4804 4.5383 4.7124 4.7124 4.7960 4.8560 4.8560 4.8954 4.9226 4.9226 5.7108 5.7108 5.8231 5.8467 5.8927 5.8927 8.3578 8.3634 8.3634 8.3902 8.7182 8.7182 9.1185 9.1278 9.1278 9.1566 10.0527 10.0527 11.5800 11.5891 k = 0.2900 0.2900 0.2900 ( 6310 PWs) bands (ev): -48.6007 -48.6007 -26.2753 -26.2753 -24.2074 -24.2074 -24.2074 -24.2074 -6.7324 -6.7324 -6.2795 -6.2795 -6.2491 -6.2458 -6.2273 -6.2273 1.0181 1.0181 1.0232 1.0365 1.5208 1.5208 2.0005 2.0005 2.2378 2.2559 2.2559 2.2568 2.5087 2.5122 2.5170 2.5170 2.6752 2.6752 2.9429 2.9429 3.1719 3.1748 3.1748 3.1975 3.8985 3.8985 3.9539 3.9735 4.1090 4.1090 4.1234 4.2137 4.2137 4.2816 4.3227 4.3227 4.4504 4.4802 4.4802 4.5344 4.6905 4.6905 4.7979 4.8450 4.8450 4.8952 4.9070 4.9070 5.7499 5.7499 5.8319 5.8538 5.9006 5.9006 8.3567 8.3634 8.3634 8.3892 8.7561 8.7561 9.1454 9.1551 9.1551 9.1835 10.0793 10.0793 11.5154 11.5248 k = 0.3000 0.3000 0.3000 ( 6310 PWs) bands (ev): -48.6007 -48.6007 -26.2754 -26.2754 -24.2075 -24.2075 -24.2075 -24.2075 -6.7097 -6.7097 -6.2863 -6.2863 -6.2560 -6.2528 -6.2335 -6.2335 1.0348 1.0348 1.0407 1.0544 1.4901 1.4901 2.0068 2.0068 2.2429 2.2598 2.2598 2.2607 2.5052 2.5084 2.5148 2.5148 2.6675 2.6675 2.9263 2.9263 3.1592 3.1626 3.1626 3.1843 3.9024 3.9024 3.9568 3.9832 4.1104 4.1104 4.1359 4.2132 4.2132 4.2868 4.3210 4.3210 4.4432 4.4797 4.4797 4.5301 4.6667 4.6667 4.7980 4.8350 4.8350 4.8923 4.8923 4.8933 5.7884 5.7884 5.8436 5.8636 5.9112 5.9112 8.3558 8.3634 8.3634 8.3882 8.7941 8.7941 9.1711 9.1811 9.1811 9.2090 10.1049 10.1049 11.4476 11.4569 k = 0.3100 0.3100 0.3100 ( 6319 PWs) bands (ev): -48.6008 -48.6008 -26.2755 -26.2755 -24.2077 -24.2076 -24.2076 -24.2076 -6.6871 -6.6871 -6.2930 -6.2930 -6.2628 -6.2596 -6.2397 -6.2397 1.0499 1.0499 1.0568 1.0706 1.4599 1.4599 2.0107 2.0107 2.2482 2.2639 2.2639 2.2647 2.5034 2.5062 2.5142 2.5142 2.6602 2.6602 2.9127 2.9127 3.1465 3.1505 3.1505 3.1710 3.9063 3.9063 3.9604 3.9933 4.1120 4.1120 4.1482 4.2128 4.2128 4.2920 4.3194 4.3194 4.4359 4.4787 4.4787 4.5257 4.6424 4.6424 4.7963 4.8250 4.8250 4.8783 4.8783 4.8896 5.8259 5.8259 5.8580 5.8761 5.9248 5.9248 8.3550 8.3635 8.3635 8.3872 8.8317 8.8317 9.1953 9.2054 9.2054 9.2329 10.1297 10.1297 11.3773 11.3864 k = 0.3200 0.3200 0.3200 ( 6313 PWs) bands (ev): -48.6007 -48.6007 -26.2755 -26.2755 -24.2078 -24.2078 -24.2078 -24.2078 -6.6648 -6.6648 -6.2995 -6.2995 -6.2693 -6.2662 -6.2457 -6.2457 1.0634 1.0634 1.0713 1.0852 1.4303 1.4303 2.0120 2.0120 2.2537 2.2683 2.2683 2.2690 2.5032 2.5056 2.5151 2.5151 2.6532 2.6532 2.9025 2.9025 3.1339 3.1384 3.1384 3.1578 3.9103 3.9103 3.9649 4.0039 4.1138 4.1138 4.1601 4.2124 4.2124 4.2971 4.3177 4.3177 4.4286 4.4771 4.4771 4.5210 4.6186 4.6186 4.7926 4.8144 4.8144 4.8647 4.8647 4.8838 5.8622 5.8622 5.8752 5.8914 5.9416 5.9416 8.3546 8.3638 8.3638 8.3864 8.8686 8.8686 9.2177 9.2278 9.2278 9.2548 10.1543 10.1543 11.3051 11.3139 k = 0.3300 0.3300 0.3300 ( 6322 PWs) bands (ev): -48.6008 -48.6008 -26.2756 -26.2756 -24.2079 -24.2079 -24.2079 -24.2079 -6.6428 -6.6428 -6.3057 -6.3057 -6.2756 -6.2726 -6.2517 -6.2517 1.0753 1.0753 1.0843 1.0980 1.4015 1.4015 2.0107 2.0107 2.2595 2.2731 2.2731 2.2737 2.5044 2.5065 2.5173 2.5173 2.6465 2.6465 2.8956 2.8956 3.1214 3.1264 3.1264 3.1447 3.9144 3.9144 3.9702 4.0150 4.1159 4.1159 4.1715 4.2118 4.2118 4.3019 4.3159 4.3159 4.4213 4.4749 4.4749 4.5161 4.5962 4.5962 4.7869 4.8027 4.8027 4.8515 4.8515 4.8760 5.8950 5.8968 5.8968 5.9093 5.9617 5.9617 8.3545 8.3644 8.3644 8.3858 8.9045 8.9045 9.2380 9.2480 9.2480 9.2746 10.1788 10.1788 11.2319 11.2403 k = 0.3400 0.3400 0.3400 ( 6292 PWs) bands (ev): -48.6006 -48.6006 -26.2757 -26.2757 -24.2080 -24.2080 -24.2080 -24.2080 -6.6213 -6.6213 -6.3118 -6.3118 -6.2816 -6.2787 -6.2575 -6.2575 1.0855 1.0855 1.0957 1.1093 1.3737 1.3737 2.0068 2.0068 2.2656 2.2783 2.2783 2.2789 2.5067 2.5086 2.5206 2.5206 2.6404 2.6404 2.8920 2.8920 3.1092 3.1146 3.1146 3.1318 3.9185 3.9185 3.9766 4.0266 4.1182 4.1182 4.1825 4.2112 4.2112 4.3064 4.3139 4.3139 4.4143 4.4719 4.4719 4.5111 4.5759 4.5759 4.7794 4.7900 4.7900 4.8384 4.8384 4.8662 5.9172 5.9297 5.9297 5.9298 5.9850 5.9850 8.3548 8.3653 8.3653 8.3856 8.9392 8.9392 9.2560 9.2658 9.2658 9.2918 10.2037 10.2037 11.1587 11.1667 k = 0.3500 0.3500 0.3500 ( 6286 PWs) bands (ev): -48.6006 -48.6006 -26.2758 -26.2758 -24.2081 -24.2081 -24.2081 -24.2081 -6.6003 -6.6003 -6.3176 -6.3176 -6.2874 -6.2846 -6.2633 -6.2633 1.0942 1.0942 1.1056 1.1189 1.3470 1.3470 2.0005 2.0005 2.2721 2.2840 2.2840 2.2845 2.5100 2.5118 2.5247 2.5247 2.6346 2.6346 2.8914 2.8914 3.0973 3.1030 3.1030 3.1190 3.9225 3.9225 3.9839 4.0388 4.1207 4.1207 4.1928 4.2104 4.2104 4.3104 4.3117 4.3117 4.4075 4.4679 4.4679 4.5060 4.5582 4.5582 4.7702 4.7763 4.7763 4.8251 4.8251 4.8545 5.9415 5.9524 5.9607 5.9607 6.0111 6.0111 8.3557 8.3666 8.3666 8.3857 8.9724 8.9724 9.2713 9.2807 9.2807 9.3061 10.2289 10.2289 11.0864 11.0939 k = 0.3600 0.3600 0.3600 ( 6292 PWs) bands (ev): -48.6006 -48.6006 -26.2758 -26.2758 -24.2082 -24.2082 -24.2082 -24.2082 -6.5799 -6.5799 -6.3231 -6.3231 -6.2928 -6.2902 -6.2689 -6.2689 1.1013 1.1013 1.1140 1.1269 1.3215 1.3215 1.9922 1.9922 2.2790 2.2902 2.2902 2.2906 2.5141 2.5158 2.5295 2.5295 2.6293 2.6293 2.8937 2.8937 3.0857 3.0916 3.0916 3.1065 3.9264 3.9264 3.9922 4.0514 4.1235 4.1235 4.2025 4.2093 4.2093 4.3090 4.3090 4.3136 4.4011 4.4630 4.4630 4.5008 4.5435 4.5435 4.7595 4.7618 4.7618 4.8114 4.8114 4.8409 5.9676 5.9770 5.9902 5.9902 6.0391 6.0391 8.3572 8.3684 8.3684 8.3863 9.0039 9.0039 9.2836 9.2926 9.2926 9.3173 10.2546 10.2546 11.0159 11.0229 k = 0.3700 0.3700 0.3700 ( 6292 PWs) bands (ev): -48.6006 -48.6006 -26.2759 -26.2759 -24.2083 -24.2083 -24.2083 -24.2083 -6.5601 -6.5601 -6.3283 -6.3283 -6.2980 -6.2955 -6.2745 -6.2745 1.1071 1.1071 1.1211 1.1335 1.2974 1.2974 1.9821 1.9821 2.2861 2.2967 2.2967 2.2972 2.5186 2.5205 2.5347 2.5347 2.6246 2.6246 2.8985 2.8985 3.0745 3.0805 3.0805 3.0944 3.9302 3.9302 4.0013 4.0645 4.1265 4.1265 4.2080 4.2080 4.2117 4.3060 4.3060 4.3158 4.3954 4.4573 4.4573 4.4955 4.5320 4.5320 4.7469 4.7469 4.7475 4.7972 4.7972 4.8258 5.9950 6.0030 6.0190 6.0190 6.0680 6.0680 8.3593 8.3707 8.3707 8.3875 9.0335 9.0335 9.2928 9.3011 9.3011 9.3252 10.2809 10.2809 10.9482 10.9547 k = 0.3800 0.3800 0.3800 ( 6292 PWs) bands (ev): -48.6006 -48.6006 -26.2760 -26.2760 -24.2084 -24.2084 -24.2084 -24.2083 -6.5411 -6.5411 -6.3333 -6.3333 -6.3028 -6.3005 -6.2800 -6.2800 1.1116 1.1116 1.1269 1.1387 1.2748 1.2748 1.9707 1.9707 2.2936 2.3036 2.3036 2.3042 2.5236 2.5255 2.5401 2.5401 2.6205 2.6205 2.9054 2.9054 3.0639 3.0698 3.0698 3.0827 3.9336 3.9336 4.0114 4.0779 4.1298 4.1298 4.2065 4.2065 4.2202 4.3027 4.3027 4.3168 4.3907 4.4511 4.4511 4.4903 4.5234 4.5234 4.7319 4.7319 4.7344 4.7824 4.7824 4.8093 6.0233 6.0301 6.0472 6.0472 6.0969 6.0969 8.3622 8.3737 8.3737 8.3892 9.0611 9.0611 9.2985 9.3062 9.3062 9.3294 10.3075 10.3075 10.8841 10.8902 k = 0.3900 0.3900 0.3900 ( 6299 PWs) bands (ev): -48.6006 -48.6006 -26.2760 -26.2760 -24.2084 -24.2084 -24.2084 -24.2084 -6.5229 -6.5229 -6.3379 -6.3379 -6.3073 -6.3052 -6.2854 -6.2854 1.1150 1.1150 1.1316 1.1427 1.2538 1.2538 1.9584 1.9584 2.3013 2.3106 2.3106 2.3114 2.5287 2.5308 2.5454 2.5454 2.6171 2.6171 2.9139 2.9139 3.0538 3.0596 3.0596 3.0715 3.9366 3.9366 4.0223 4.0915 4.1334 4.1334 4.2047 4.2047 4.2281 4.2989 4.2989 4.3163 4.3874 4.4452 4.4452 4.4851 4.5171 4.5171 4.7169 4.7169 4.7207 4.7672 4.7672 4.7917 6.0521 6.0577 6.0749 6.0749 6.1250 6.1250 8.3658 8.3772 8.3772 8.3916 9.0865 9.0865 9.3007 9.3076 9.3076 9.3299 10.3344 10.3344 10.8244 10.8300 k = 0.4000 0.4000 0.4000 ( 6299 PWs) bands (ev): -48.6006 -48.6006 -26.2761 -26.2761 -24.2085 -24.2085 -24.2085 -24.2085 -6.5055 -6.5055 -6.3423 -6.3423 -6.3114 -6.3095 -6.2908 -6.2908 1.1173 1.1173 1.1354 1.1457 1.2344 1.2344 1.9457 1.9457 2.3091 2.3178 2.3178 2.3188 2.5339 2.5362 2.5504 2.5504 2.6144 2.6144 2.9236 2.9236 3.0444 3.0499 3.0499 3.0609 3.9391 3.9391 4.0339 4.1052 4.1372 4.1372 4.2027 4.2027 4.2353 4.2950 4.2950 4.3141 4.3857 4.4399 4.4399 4.4800 4.5129 4.5129 4.7022 4.7022 4.7066 4.7515 4.7515 4.7732 6.0807 6.0853 6.1020 6.1020 6.1520 6.1520 8.3702 8.3813 8.3813 8.3945 9.1097 9.1097 9.2994 9.3055 9.3055 9.3268 10.3612 10.3612 10.7697 10.7749 k = 0.4100 0.4100 0.4100 ( 6272 PWs) bands (ev): -48.6005 -48.6005 -26.2761 -26.2761 -24.2086 -24.2086 -24.2086 -24.2086 -6.4890 -6.4890 -6.3463 -6.3463 -6.3152 -6.3134 -6.2961 -6.2961 1.1186 1.1186 1.1383 1.1478 1.2169 1.2169 1.9329 1.9329 2.3169 2.3249 2.3249 2.3261 2.5389 2.5415 2.5549 2.5549 2.6126 2.6126 2.9341 2.9341 3.0357 3.0408 3.0408 3.0509 3.9412 3.9412 4.0463 4.1188 4.1413 4.1413 4.2008 4.2008 4.2420 4.2909 4.2909 4.3102 4.3857 4.4356 4.4356 4.4750 4.5101 4.5101 4.6882 4.6882 4.6925 4.7357 4.7357 4.7543 6.1088 6.1125 6.1281 6.1281 6.1776 6.1776 8.3754 8.3860 8.3860 8.3981 9.1306 9.1306 9.2948 9.3001 9.3001 9.3202 10.3877 10.3877 10.7205 10.7253 k = 0.4200 0.4200 0.4200 ( 6266 PWs) bands (ev): -48.6004 -48.6004 -26.2762 -26.2762 -24.2086 -24.2086 -24.2086 -24.2086 -6.4734 -6.4734 -6.3500 -6.3500 -6.3186 -6.3170 -6.3013 -6.3013 1.1192 1.1192 1.1406 1.1492 1.2013 1.2013 1.9204 1.9204 2.3245 2.3318 2.3318 2.3333 2.5438 2.5464 2.5586 2.5586 2.6117 2.6117 2.9448 2.9448 3.0278 3.0323 3.0323 3.0416 3.9426 3.9426 4.0593 4.1320 4.1454 4.1454 4.1988 4.1988 4.2479 4.2869 4.2869 4.3049 4.3872 4.4324 4.4324 4.4700 4.5085 4.5085 4.6749 4.6749 4.6787 4.7198 4.7198 4.7352 6.1356 6.1387 6.1526 6.1526 6.2014 6.2014 8.3811 8.3912 8.3912 8.4021 9.1492 9.1492 9.2873 9.2917 9.2917 9.3105 10.4134 10.4134 10.6771 10.6815 k = 0.4300 0.4300 0.4300 ( 6278 PWs) bands (ev): -48.6005 -48.6005 -26.2762 -26.2762 -24.2087 -24.2087 -24.2087 -24.2087 -6.4589 -6.4589 -6.3535 -6.3535 -6.3216 -6.3202 -6.3065 -6.3065 1.1191 1.1191 1.1423 1.1499 1.1876 1.1876 1.9086 1.9086 2.3318 2.3383 2.3383 2.3400 2.5483 2.5510 2.5614 2.5614 2.6117 2.6117 2.9553 2.9553 3.0208 3.0246 3.0246 3.0330 3.9435 3.9435 4.0727 4.1444 4.1494 4.1494 4.1970 4.1970 4.2530 4.2830 4.2830 4.2985 4.3899 4.4302 4.4302 4.4651 4.5078 4.5078 4.6626 4.6626 4.6656 4.7042 4.7042 4.7163 6.1609 6.1633 6.1753 6.1753 6.2234 6.2234 8.3875 8.3967 8.3967 8.4064 9.1655 9.1655 9.2776 9.2810 9.2810 9.2983 10.4379 10.4379 10.6396 10.6436 k = 0.4400 0.4400 0.4400 ( 6266 PWs) bands (ev): -48.6004 -48.6004 -26.2762 -26.2762 -24.2087 -24.2087 -24.2087 -24.2087 -6.4453 -6.4453 -6.3567 -6.3567 -6.3242 -6.3230 -6.3116 -6.3116 1.1184 1.1184 1.1436 1.1502 1.1760 1.1760 1.8977 1.8977 2.3387 2.3443 2.3443 2.3461 2.5523 2.5551 2.5633 2.5633 2.6124 2.6124 2.9653 2.9653 3.0147 3.0178 3.0178 3.0254 3.9440 3.9440 4.0865 4.1532 4.1532 4.1555 4.1956 4.1956 4.2574 4.2794 4.2794 4.2917 4.3937 4.4289 4.4289 4.4603 4.5079 4.5079 4.6516 4.6516 4.6536 4.6891 4.6891 4.6980 6.1840 6.1859 6.1956 6.1956 6.2432 6.2432 8.3941 8.4025 8.4025 8.4110 9.1795 9.1795 9.2664 9.2688 9.2688 9.2846 10.4605 10.4605 10.6080 10.6116 k = 0.4500 0.4500 0.4500 ( 6263 PWs) bands (ev): -48.6004 -48.6004 -26.2763 -26.2763 -24.2088 -24.2088 -24.2088 -24.2088 -6.4329 -6.4329 -6.3597 -6.3597 -6.3264 -6.3254 -6.3164 -6.3164 1.1171 1.1171 1.1445 1.1501 1.1666 1.1666 1.8881 1.8881 2.3450 2.3496 2.3496 2.3515 2.5560 2.5585 2.5645 2.5645 2.6137 2.6137 2.9744 2.9744 3.0097 3.0119 3.0119 3.0186 3.9440 3.9440 4.1005 4.1565 4.1565 4.1648 4.1949 4.1949 4.2609 4.2761 4.2761 4.2848 4.3983 4.4283 4.4283 4.4555 4.5087 4.5087 4.6421 4.6421 4.6430 4.6747 4.6747 4.6807 6.2044 6.2059 6.2133 6.2133 6.2607 6.2607 8.4009 8.4081 8.4081 8.4154 9.1912 9.1912 9.2546 9.2560 9.2560 9.2701 10.4809 10.4809 10.5821 10.5852 k = 0.4600 0.4600 0.4600 ( 6251 PWs) bands (ev): -48.6004 -48.6004 -26.2763 -26.2763 -24.2088 -24.2088 -24.2088 -24.2088 -6.4217 -6.4217 -6.3626 -6.3626 -6.3282 -6.3273 -6.3210 -6.3210 1.1155 1.1155 1.1453 1.1498 1.1592 1.1592 1.8799 1.8799 2.3506 2.3542 2.3542 2.3560 2.5591 2.5613 2.5652 2.5652 2.6152 2.6152 2.9822 2.9822 3.0056 3.0070 3.0070 3.0129 3.9437 3.9437 4.1144 4.1591 4.1591 4.1716 4.1948 4.1948 4.2637 4.2733 4.2733 4.2785 4.4037 4.4280 4.4280 4.4507 4.5099 4.5099 4.6344 4.6345 4.6345 4.6616 4.6616 4.6649 6.2218 6.2229 6.2280 6.2280 6.2756 6.2756 8.4074 8.4134 8.4134 8.4193 9.2007 9.2007 9.2433 9.2438 9.2438 9.2559 10.4983 10.4983 10.5616 10.5642 k = 0.4700 0.4700 0.4700 ( 6245 PWs) bands (ev): -48.6003 -48.6003 -26.2763 -26.2763 -24.2088 -24.2088 -24.2088 -24.2088 -6.4119 -6.4119 -6.3655 -6.3655 -6.3295 -6.3289 -6.3250 -6.3250 1.1138 1.1138 1.1459 1.1493 1.1539 1.1539 1.8734 1.8734 2.3552 2.3579 2.3579 2.3595 2.5616 2.5635 2.5655 2.5655 2.6167 2.6167 2.9885 2.9885 3.0026 3.0032 3.0032 3.0081 3.9434 3.9434 4.1280 4.1609 4.1609 4.1750 4.1953 4.1953 4.2656 4.2709 4.2709 4.2735 4.4095 4.4281 4.4281 4.4455 4.5114 4.5114 4.6279 4.6289 4.6289 4.6500 4.6500 4.6511 6.2358 6.2366 6.2396 6.2396 6.2876 6.2876 8.4133 8.4180 8.4180 8.4225 9.2077 9.2077 9.2331 9.2331 9.2335 9.2432 10.5123 10.5123 10.5461 10.5481 k = 0.4800 0.4800 0.4800 ( 6257 PWs) bands (ev): -48.6004 -48.6004 -26.2763 -26.2763 -24.2089 -24.2089 -24.2089 -24.2089 -6.4037 -6.4037 -6.3683 -6.3683 -6.3305 -6.3301 -6.3283 -6.3283 1.1123 1.1123 1.1465 1.1488 1.1503 1.1503 1.8686 1.8686 2.3589 2.3606 2.3606 2.3618 2.5636 2.5649 2.5656 2.5656 2.6179 2.6179 2.9928 2.9928 3.0007 3.0009 3.0009 3.0044 3.9430 3.9430 4.1408 4.1619 4.1619 4.1745 4.1960 4.1960 4.2667 4.2691 4.2691 4.2701 4.4157 4.4282 4.4282 4.4401 4.5129 4.5129 4.6241 4.6256 4.6256 4.6396 4.6402 4.6402 6.2460 6.2465 6.2478 6.2478 6.2964 6.2964 8.4184 8.4215 8.4215 8.4246 9.2120 9.2120 9.2255 9.2255 9.2263 9.2328 10.5219 10.5219 10.5355 10.5368 k = 0.4900 0.4900 0.4900 ( 6272 PWs) bands (ev): -48.6005 -48.6005 -26.2763 -26.2763 -24.2089 -24.2089 -24.2089 -24.2089 -6.3978 -6.3978 -6.3708 -6.3708 -6.3310 -6.3308 -6.3304 -6.3304 1.1112 1.1112 1.1471 1.1482 1.1483 1.1483 1.8657 1.8657 2.3614 2.3622 2.3622 2.3629 2.5649 2.5655 2.5655 2.5655 2.6187 2.6187 2.9946 2.9946 2.9999 3.0002 3.0002 3.0018 3.9427 3.9427 4.1526 4.1625 4.1625 4.1702 4.1966 4.1966 4.2672 4.2679 4.2679 4.2682 4.4220 4.4283 4.4283 4.4344 4.5139 4.5139 4.6232 4.6248 4.6248 4.6310 4.6329 4.6329 6.2523 6.2525 6.2528 6.2528 6.3017 6.3017 8.4222 8.4238 8.4238 8.4253 9.2128 9.2128 9.2222 9.2223 9.2223 9.2255 10.5266 10.5266 10.5293 10.5300 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -48.6005 -48.6005 -26.2763 -26.2763 -24.2089 -24.2089 -24.2089 -24.2089 -6.3956 -6.3956 -6.3719 -6.3719 -6.3311 -6.3311 -6.3311 -6.3311 1.1109 1.1109 1.1476 1.1476 1.1476 1.1476 1.8647 1.8647 2.3628 2.3628 2.3628 2.3628 2.5655 2.5655 2.5655 2.5655 2.6189 2.6189 2.9949 2.9949 3.0003 3.0003 3.0003 3.0003 3.9426 3.9426 4.1626 4.1626 4.1626 4.1626 4.1968 4.1968 4.2675 4.2675 4.2675 4.2675 4.4283 4.4283 4.4283 4.4283 4.5143 4.5143 4.6255 4.6255 4.6255 4.6255 4.6294 4.6294 6.2545 6.2545 6.2545 6.2545 6.3036 6.3036 8.4245 8.4245 8.4245 8.4245 9.2123 9.2123 9.2219 9.2219 9.2219 9.2219 10.5275 10.5275 10.5275 10.5275 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -48.6005 -48.6005 -26.2763 -26.2763 -24.2089 -24.2089 -24.2089 -24.2089 -6.3956 -6.3956 -6.3719 -6.3719 -6.3311 -6.3311 -6.3311 -6.3311 1.1109 1.1109 1.1476 1.1476 1.1476 1.1476 1.8647 1.8647 2.3628 2.3628 2.3628 2.3628 2.5655 2.5655 2.5655 2.5655 2.6189 2.6189 2.9949 2.9949 3.0003 3.0003 3.0003 3.0003 3.9426 3.9426 4.1626 4.1626 4.1626 4.1626 4.1968 4.1968 4.2675 4.2675 4.2675 4.2675 4.4283 4.4283 4.4283 4.4283 4.5143 4.5143 4.6255 4.6255 4.6255 4.6255 4.6294 4.6294 6.2545 6.2545 6.2545 6.2545 6.3036 6.3036 8.4245 8.4245 8.4245 8.4245 9.2123 9.2123 9.2219 9.2219 9.2219 9.2219 10.5275 10.5275 10.5275 10.5275 k = 0.4878 0.5000 0.4878 ( 6272 PWs) bands (ev): -48.6005 -48.6005 -26.2763 -26.2763 -24.2089 -24.2089 -24.2089 -24.2089 -6.3978 -6.3978 -6.3708 -6.3708 -6.3311 -6.3309 -6.3304 -6.3303 1.1112 1.1113 1.1471 1.1481 1.1482 1.1484 1.8657 1.8657 2.3614 2.3620 2.3624 2.3629 2.5648 2.5653 2.5655 2.5658 2.6187 2.6187 2.9945 2.9949 2.9996 3.0001 3.0006 3.0017 3.9427 3.9427 4.1530 4.1601 4.1646 4.1700 4.1966 4.1966 4.2671 4.2677 4.2679 4.2685 4.4223 4.4267 4.4298 4.4342 4.5139 4.5139 4.6224 4.6246 4.6259 4.6310 4.6327 4.6329 6.2521 6.2523 6.2530 6.2531 6.3018 6.3018 8.4220 8.4236 8.4240 8.4255 9.2127 9.2131 9.2221 9.2222 9.2224 9.2254 10.5268 10.5270 10.5291 10.5297 k = 0.4756 0.5000 0.4756 ( 6260 PWs) bands (ev): -48.6004 -48.6004 -26.2763 -26.2763 -24.2089 -24.2089 -24.2089 -24.2089 -6.4037 -6.4035 -6.3687 -6.3682 -6.3308 -6.3304 -6.3282 -6.3278 1.1123 1.1124 1.1468 1.1489 1.1497 1.1504 1.8686 1.8686 2.3589 2.3603 2.3609 2.3619 2.5633 2.5643 2.5657 2.5662 2.6179 2.6179 2.9922 2.9948 2.9980 3.0012 3.0022 3.0041 3.9429 3.9430 4.1416 4.1574 4.1657 4.1748 4.1959 4.1960 4.2662 4.2679 4.2693 4.2713 4.4161 4.4253 4.4310 4.4397 4.5129 4.5132 4.6198 4.6271 4.6285 4.6386 4.6401 4.6407 6.2453 6.2457 6.2485 6.2487 6.2965 6.2965 8.4173 8.4211 8.4219 8.4257 9.2114 9.2152 9.2229 9.2247 9.2268 9.2329 10.5239 10.5241 10.5334 10.5346 k = 0.4634 0.5000 0.4634 ( 6242 PWs) bands (ev): -48.6003 -48.6003 -26.2763 -26.2763 -24.2089 -24.2089 -24.2088 -24.2088 -6.4117 -6.4112 -6.3665 -6.3652 -6.3302 -6.3294 -6.3248 -6.3241 1.1138 1.1140 1.1467 1.1498 1.1525 1.1537 1.8733 1.8734 2.3552 2.3576 2.3582 2.3598 2.5608 2.5624 2.5659 2.5667 2.6168 2.6169 2.9877 2.9930 2.9968 3.0039 3.0050 3.0076 3.9433 3.9435 4.1290 4.1546 4.1650 4.1769 4.1951 4.1954 4.2649 4.2683 4.2711 4.2759 4.4099 4.4244 4.4317 4.4448 4.5117 4.5127 4.6183 4.6328 4.6343 4.6462 4.6512 4.6523 6.2341 6.2348 6.2411 6.2415 6.2879 6.2882 8.4105 8.4161 8.4198 8.4255 9.2075 9.2161 9.2248 9.2296 9.2360 9.2441 10.5180 10.5181 10.5389 10.5404 k = 0.4512 0.5000 0.4512 ( 6252 PWs) bands (ev): -48.6004 -48.6004 -26.2763 -26.2763 -24.2088 -24.2088 -24.2088 -24.2088 -6.4212 -6.4205 -6.3647 -6.3623 -6.3294 -6.3281 -6.3206 -6.3193 1.1154 1.1158 1.1473 1.1510 1.1565 1.1584 1.8798 1.8800 2.3504 2.3540 2.3543 2.3568 2.5575 2.5594 2.5661 2.5671 2.6156 2.6157 2.9814 2.9884 2.9974 3.0080 3.0085 3.0125 3.9436 3.9439 4.1157 4.1515 4.1616 4.1764 4.1942 4.1958 4.2630 4.2691 4.2732 4.2820 4.4038 4.4241 4.4316 4.4495 4.5111 4.5130 4.6177 4.6413 4.6424 4.6556 4.6636 4.6670 6.2185 6.2196 6.2306 6.2312 6.2764 6.2770 8.4022 8.4096 8.4172 8.4246 9.2016 9.2140 9.2296 9.2362 9.2484 9.2582 10.5094 10.5095 10.5456 10.5473 k = 0.4390 0.5000 0.4390 ( 6256 PWs) bands (ev): -48.6004 -48.6004 -26.2763 -26.2763 -24.2088 -24.2088 -24.2087 -24.2087 -6.4319 -6.4309 -6.3633 -6.3596 -6.3284 -6.3263 -6.3158 -6.3139 1.1169 1.1173 1.1487 1.1528 1.1616 1.1645 1.8879 1.8883 2.3447 2.3494 2.3497 2.3529 2.5531 2.5555 2.5659 2.5671 2.6147 2.6147 2.9735 2.9819 2.9990 3.0127 3.0135 3.0187 3.9437 3.9442 4.1022 4.1484 4.1556 4.1737 4.1934 4.1978 4.2605 4.2704 4.2754 4.2888 4.3978 4.4248 4.4309 4.4538 4.5116 4.5143 4.6185 4.6520 4.6521 4.6673 4.6775 4.6834 6.1989 6.2004 6.2172 6.2180 6.2624 6.2634 8.3930 8.4019 8.4141 8.4233 9.1938 9.2093 9.2362 9.2440 9.2624 9.2740 10.4988 10.4992 10.5544 10.5563 k = 0.4268 0.5000 0.4268 ( 6262 PWs) bands (ev): -48.6004 -48.6004 -26.2762 -26.2762 -24.2088 -24.2088 -24.2087 -24.2087 -6.4434 -6.4422 -6.3623 -6.3571 -6.3269 -6.3239 -6.3106 -6.3080 1.1178 1.1179 1.1514 1.1553 1.1679 1.1720 1.8976 1.8982 2.3381 2.3436 2.3448 2.3484 2.5478 2.5506 2.5652 2.5667 2.6143 2.6144 2.9641 2.9739 3.0014 3.0176 3.0203 3.0261 3.9435 3.9442 4.0890 4.1452 4.1475 4.1695 4.1928 4.2010 4.2577 4.2722 4.2776 4.2959 4.3922 4.4266 4.4294 4.4580 4.5134 4.5169 4.6205 4.6624 4.6644 4.6819 4.6924 4.7008 6.1756 6.1776 6.2010 6.2019 6.2462 6.2476 8.3834 8.3939 8.4107 8.4214 9.1839 9.2024 9.2435 9.2524 9.2770 9.2903 10.4872 10.4882 10.5656 10.5677 k = 0.4146 0.5000 0.4146 ( 6270 PWs) bands (ev): -48.6005 -48.6005 -26.2762 -26.2762 -24.2088 -24.2088 -24.2086 -24.2086 -6.4556 -6.4543 -6.3618 -6.3550 -6.3249 -6.3209 -6.3051 -6.3018 1.1172 1.1178 1.1556 1.1586 1.1755 1.1809 1.9085 1.9096 2.3309 2.3371 2.3395 2.3433 2.5416 2.5447 2.5638 2.5658 2.6146 2.6150 2.9533 2.9644 3.0047 3.0233 3.0282 3.0345 3.9427 3.9434 4.0765 4.1382 4.1418 4.1644 4.1924 4.2048 4.2546 4.2746 4.2797 4.3026 4.3870 4.4276 4.4297 4.4622 4.5163 4.5206 4.6240 4.6730 4.6780 4.6990 4.7078 4.7187 6.1492 6.1517 6.1820 6.1831 6.2281 6.2300 8.3740 8.3860 8.4068 8.4190 9.1719 9.1930 9.2507 9.2607 9.2909 9.3059 10.4755 10.4771 10.5799 10.5822 k = 0.4024 0.5000 0.4024 ( 6262 PWs) bands (ev): -48.6004 -48.6004 -26.2762 -26.2762 -24.2088 -24.2088 -24.2085 -24.2085 -6.4686 -6.4671 -6.3618 -6.3534 -6.3223 -6.3172 -6.2993 -6.2954 1.1151 1.1167 1.1610 1.1629 1.1844 1.1909 1.9206 1.9221 2.3232 2.3299 2.3339 2.3379 2.5344 2.5380 2.5619 2.5645 2.6158 2.6167 2.9413 2.9537 3.0089 3.0298 3.0372 3.0437 3.9410 3.9414 4.0653 4.1284 4.1385 4.1587 4.1923 4.2090 4.2515 4.2773 4.2817 4.3088 4.3823 4.4256 4.4339 4.4666 4.5202 4.5253 4.6290 4.6839 4.6924 4.7183 4.7237 4.7369 6.1204 6.1232 6.1608 6.1619 6.2082 6.2104 8.3653 8.3786 8.4025 8.4160 9.1574 9.1811 9.2573 9.2683 9.3032 9.3198 10.4644 10.4667 10.5976 10.6000 k = 0.3902 0.5000 0.3902 ( 6262 PWs) bands (ev): -48.6004 -48.6004 -26.2761 -26.2761 -24.2087 -24.2087 -24.2084 -24.2084 -6.4821 -6.4805 -6.3623 -6.3526 -6.3188 -6.3129 -6.2932 -6.2888 1.1119 1.1144 1.1672 1.1680 1.1945 1.2021 1.9335 1.9357 2.3151 2.3223 2.3281 2.3322 2.5263 2.5304 2.5597 2.5629 2.6178 2.6193 2.9281 2.9417 3.0142 3.0371 3.0470 3.0538 3.9380 3.9383 4.0557 4.1188 4.1352 4.1528 4.1922 4.2131 4.2483 4.2803 4.2835 4.3143 4.3784 4.4239 4.4393 4.4714 4.5246 4.5307 4.6357 4.6951 4.7071 4.7388 4.7398 4.7551 6.0897 6.0929 6.1375 6.1386 6.1867 6.1890 8.3575 8.3722 8.3978 8.4125 9.1404 9.1663 9.2625 9.2745 9.3133 9.3314 10.4546 10.4576 10.6190 10.6216 k = 0.3780 0.5000 0.3780 ( 6282 PWs) bands (ev): -48.6005 -48.6005 -26.2761 -26.2761 -24.2087 -24.2087 -24.2083 -24.2083 -6.4962 -6.4945 -6.3633 -6.3525 -6.3146 -6.3079 -6.2870 -6.2821 1.1075 1.1111 1.1738 1.1741 1.2057 1.2143 1.9471 1.9499 2.3068 2.3145 2.3223 2.3264 2.5174 2.5221 2.5573 2.5614 2.6206 2.6229 2.9139 2.9286 3.0204 3.0453 3.0577 3.0646 3.9326 3.9343 4.0481 4.1100 4.1318 4.1468 4.1920 4.2169 4.2453 4.2833 4.2850 4.3189 4.3756 4.4227 4.4456 4.4766 4.5294 4.5363 4.6440 4.7067 4.7215 4.7561 4.7590 4.7742 6.0578 6.0612 6.1126 6.1135 6.1635 6.1658 8.3510 8.3669 8.3927 8.4085 9.1208 9.1486 9.2657 9.2787 9.3205 9.3401 10.4467 10.4504 10.6447 10.6474 k = 0.3659 0.5000 0.3659 ( 6294 PWs) bands (ev): -48.6006 -48.6006 -26.2760 -26.2760 -24.2087 -24.2087 -24.2082 -24.2082 -6.5107 -6.5090 -6.3648 -6.3531 -6.3096 -6.3023 -6.2804 -6.2751 1.1021 1.1066 1.1801 1.1812 1.2180 1.2273 1.9609 1.9646 2.2984 2.3065 2.3166 2.3206 2.5079 2.5132 2.5553 2.5602 2.6240 2.6273 2.8987 2.9146 3.0278 3.0544 3.0692 3.0759 3.9253 3.9288 4.0426 4.1023 4.1286 4.1410 4.1916 4.2204 4.2428 4.2861 4.2864 4.3226 4.3743 4.4222 4.4529 4.4824 4.5343 4.5421 4.6541 4.7186 4.7351 4.7728 4.7768 4.7955 6.0253 6.0288 6.0865 6.0870 6.1387 6.1408 8.3459 8.3629 8.3874 8.4039 9.0986 9.1279 9.2665 9.2803 9.3246 9.3456 10.4410 10.4454 10.6748 10.6776 k = 0.3537 0.5000 0.3537 ( 6294 PWs) bands (ev): -48.6006 -48.6006 -26.2760 -26.2760 -24.2086 -24.2086 -24.2081 -24.2081 -6.5256 -6.5239 -6.3667 -6.3545 -6.3038 -6.2961 -6.2736 -6.2680 1.0957 1.1010 1.1867 1.1886 1.2311 1.2409 1.9749 1.9794 2.2900 2.2986 2.3111 2.3150 2.4979 2.5038 2.5539 2.5597 2.6280 2.6323 2.8829 2.8998 3.0362 3.0644 3.0813 3.0879 3.9164 3.9219 4.0391 4.0959 4.1254 4.1356 4.1907 4.2233 4.2410 4.2875 4.2885 4.3251 4.3752 4.4229 4.4611 4.4886 4.5392 4.5477 4.6657 4.7309 4.7473 4.7901 4.7914 4.8195 5.9928 5.9964 6.0596 6.0597 6.1125 6.1140 8.3423 8.3604 8.3817 8.3988 9.0742 9.1044 9.2643 9.2788 9.3256 9.3479 10.4378 10.4428 10.7097 10.7125 k = 0.3415 0.5000 0.3415 ( 6302 PWs) bands (ev): -48.6006 -48.6006 -26.2759 -26.2759 -24.2086 -24.2086 -24.2080 -24.2080 -6.5408 -6.5391 -6.3691 -6.3565 -6.2975 -6.2894 -6.2666 -6.2607 1.0883 1.0942 1.1936 1.1960 1.2449 1.2550 1.9886 1.9941 2.2818 2.2910 2.3060 2.3097 2.4875 2.4941 2.5536 2.5603 2.6325 2.6378 2.8664 2.8843 3.0458 3.0753 3.0941 3.1003 3.9061 3.9135 4.0370 4.0907 4.1223 4.1309 4.1890 4.2258 4.2403 4.2882 4.2903 4.3259 4.3787 4.4245 4.4698 4.4954 4.5438 4.5530 4.6786 4.7434 4.7577 4.8032 4.8081 4.8452 5.9609 5.9642 6.0314 6.0326 6.0851 6.0855 8.3402 8.3594 8.3758 8.3932 9.0476 9.0784 9.2589 9.2739 9.3235 9.3470 10.4372 10.4427 10.7493 10.7522 k = 0.3293 0.5000 0.3293 ( 6290 PWs) bands (ev): -48.6006 -48.6006 -26.2758 -26.2758 -24.2085 -24.2085 -24.2079 -24.2079 -6.5563 -6.5546 -6.3720 -6.3591 -6.2906 -6.2822 -6.2593 -6.2532 1.0798 1.0864 1.2005 1.2032 1.2591 1.2694 2.0018 2.0083 2.2740 2.2836 2.3013 2.3049 2.4769 2.4842 2.5547 2.5623 2.6373 2.6437 2.8494 2.8682 3.0565 3.0871 3.1074 3.1132 3.8950 3.9041 4.0359 4.0864 4.1193 4.1270 4.1864 4.2277 4.2406 4.2888 4.2916 4.3253 4.3848 4.4275 4.4791 4.5027 4.5482 4.5581 4.6922 4.7561 4.7663 4.8126 4.8269 4.8718 5.9298 5.9327 6.0028 6.0054 6.0555 6.0569 8.3397 8.3597 8.3695 8.3870 9.0194 9.0500 9.2500 9.2655 9.3185 9.3430 10.4392 10.4450 10.7937 10.7965 k = 0.3171 0.5000 0.3171 ( 6292 PWs) bands (ev): -48.6006 -48.6006 -26.2758 -26.2758 -24.2085 -24.2085 -24.2077 -24.2077 -6.5720 -6.5704 -6.3752 -6.3622 -6.2832 -6.2746 -6.2518 -6.2456 1.0703 1.0774 1.2073 1.2103 1.2737 1.2839 2.0143 2.0217 2.2666 2.2768 2.2971 2.3005 2.4661 2.4742 2.5572 2.5657 2.6426 2.6500 2.8321 2.8518 3.0683 3.0998 3.1213 3.1266 3.8834 3.8936 4.0354 4.0828 4.1163 4.1242 4.1829 4.2289 4.2421 4.2890 4.2924 4.3236 4.3929 4.4315 4.4887 4.5105 4.5522 4.5630 4.7059 4.7689 4.7734 4.8196 4.8462 4.8989 5.8998 5.9019 5.9741 5.9788 6.0242 6.0282 8.3406 8.3609 8.3630 8.3807 8.9901 9.0200 9.2377 9.2534 9.3107 9.3362 10.4435 10.4494 10.8425 10.8455 k = 0.3049 0.5000 0.3049 ( 6288 PWs) bands (ev): -48.6006 -48.6006 -26.2757 -26.2757 -24.2084 -24.2084 -24.2076 -24.2076 -6.5878 -6.5862 -6.3788 -6.3658 -6.2755 -6.2667 -6.2441 -6.2378 1.0598 1.0674 1.2139 1.2170 1.2884 1.2983 2.0259 2.0341 2.2597 2.2705 2.2935 2.2966 2.4554 2.4642 2.5614 2.5708 2.6481 2.6565 2.8146 2.8352 3.0812 3.1133 3.1357 3.1403 3.8717 3.8826 4.0352 4.0794 4.1133 4.1227 4.1786 4.2295 4.2447 4.2889 4.2927 4.3213 4.4025 4.4366 4.4981 4.5189 4.5557 4.5680 4.7185 4.7800 4.7814 4.8245 4.8660 4.9264 5.8709 5.8717 5.9455 5.9531 5.9919 5.9997 8.3422 8.3568 8.3611 8.3760 8.9603 8.9887 9.2220 9.2379 9.3004 9.3269 10.4498 10.4558 10.8956 10.8986 k = 0.2927 0.5000 0.2927 ( 6288 PWs) bands (ev): -48.6006 -48.6006 -26.2756 -26.2756 -24.2084 -24.2084 -24.2074 -24.2074 -6.6037 -6.6021 -6.3827 -6.3698 -6.2674 -6.2585 -6.2362 -6.2300 1.0483 1.0562 1.2202 1.2233 1.3029 1.3125 2.0365 2.0455 2.2536 2.2648 2.2904 2.2934 2.4448 2.4543 2.5673 2.5776 2.6539 2.6633 2.7972 2.8185 3.0953 3.1278 3.1505 3.1544 3.8601 3.8711 4.0350 4.0760 4.1102 4.1224 4.1737 4.2293 4.2482 4.2887 4.2928 4.3188 4.4132 4.4427 4.5070 4.5277 4.5588 4.5733 4.7279 4.7879 4.7931 4.8279 4.8862 4.9540 5.8417 5.8429 5.9173 5.9287 5.9589 5.9721 8.3413 8.3541 8.3559 8.3770 8.9305 8.9568 9.2031 9.2190 9.2880 9.3154 10.4578 10.4636 10.9525 10.9556 k = 0.2805 0.5000 0.2805 ( 6298 PWs) bands (ev): -48.6006 -48.6006 -26.2756 -26.2756 -24.2083 -24.2083 -24.2073 -24.2073 -6.6195 -6.6181 -6.3868 -6.3741 -6.2591 -6.2500 -6.2281 -6.2220 1.0358 1.0440 1.2261 1.2292 1.3173 1.3264 2.0460 2.0556 2.2481 2.2600 2.2880 2.2908 2.4344 2.4445 2.5749 2.5860 2.6599 2.6703 2.7799 2.8019 3.1105 3.1431 3.1658 3.1688 3.8488 3.8595 4.0347 4.0725 4.1071 4.1233 4.1683 4.2283 4.2523 4.2882 4.2927 4.3163 4.4245 4.4493 4.5147 4.5371 4.5614 4.5793 4.7323 4.7992 4.8019 4.8318 4.9065 4.9815 5.8111 5.8151 5.8902 5.9061 5.9260 5.9461 8.3345 8.3462 8.3577 8.3826 8.9016 8.9250 9.1812 9.1971 9.2737 9.3019 10.4671 10.4724 11.0127 11.0159 k = 0.2683 0.5000 0.2683 ( 6290 PWs) bands (ev): -48.6006 -48.6006 -26.2755 -26.2755 -24.2083 -24.2083 -24.2072 -24.2071 -6.6353 -6.6339 -6.3912 -6.3786 -6.2505 -6.2413 -6.2199 -6.2139 1.0224 1.0308 1.2314 1.2344 1.3312 1.3397 2.0544 2.0646 2.2436 2.2559 2.2861 2.2889 2.4244 2.4350 2.5839 2.5958 2.6662 2.6774 2.7630 2.7857 3.1268 3.1592 3.1815 3.1836 3.8380 3.8480 4.0341 4.0689 4.1040 4.1251 4.1628 4.2266 4.2570 4.2875 4.2926 4.3142 4.4362 4.4564 4.5209 4.5470 4.5638 4.5861 4.7313 4.8050 4.8145 4.8394 4.9268 5.0088 5.7790 5.7869 5.8649 5.8850 5.8945 5.9223 8.3248 8.3338 8.3646 8.3905 8.8742 8.8941 9.1566 9.1725 9.2577 9.2868 10.4771 10.4819 11.0755 11.0791 k = 0.2561 0.5000 0.2561 ( 6290 PWs) bands (ev): -48.6006 -48.6006 -26.2754 -26.2754 -24.2082 -24.2082 -24.2070 -24.2070 -6.6509 -6.6496 -6.3958 -6.3835 -6.2418 -6.2325 -6.2116 -6.2058 1.0082 1.0166 1.2362 1.2389 1.3445 1.3523 2.0618 2.0723 2.2399 2.2528 2.2848 2.2876 2.4146 2.4258 2.5941 2.6068 2.6727 2.6846 2.7466 2.7701 3.1442 3.1762 3.1977 3.1987 3.8276 3.8367 4.0331 4.0652 4.1009 4.1277 4.1571 4.2240 4.2621 4.2867 4.2926 4.3124 4.4481 4.4634 4.5252 4.5568 4.5665 4.5939 4.7257 4.8020 4.8329 4.8510 4.9471 5.0358 5.7446 5.7573 5.8419 5.8604 5.8710 5.9013 8.3132 8.3193 8.3733 8.4002 8.8490 8.8647 9.1297 9.1455 9.2404 9.2703 10.4873 10.4915 11.1404 11.1443 k = 0.2439 0.5000 0.2439 ( 6296 PWs) bands (ev): -48.6007 -48.6007 -26.2754 -26.2754 -24.2082 -24.2082 -24.2069 -24.2068 -6.6663 -6.6651 -6.4005 -6.3884 -6.2331 -6.2236 -6.2032 -6.1978 0.9933 1.0017 1.2402 1.2428 1.3571 1.3642 2.0683 2.0790 2.2373 2.2505 2.2840 2.2869 2.4052 2.4169 2.6051 2.6185 2.6793 2.6919 2.7310 2.7552 3.1626 3.1939 3.2141 3.2143 3.8178 3.8257 4.0316 4.0617 4.0978 4.1308 4.1516 4.2206 4.2675 4.2857 4.2928 4.3111 4.4599 4.4702 4.5278 4.5640 4.5721 4.6021 4.7170 4.7949 4.8535 4.8650 4.9673 5.0621 5.7077 5.7255 5.8213 5.8326 5.8558 5.8834 8.2998 8.3026 8.3836 8.4113 8.8265 8.8376 9.1009 9.1166 9.2220 9.2527 10.4974 10.5007 11.2066 11.2110 k = 0.2317 0.5000 0.2317 ( 6312 PWs) bands (ev): -48.6007 -48.6007 -26.2753 -26.2753 -24.2081 -24.2081 -24.2067 -24.2067 -6.6814 -6.6803 -6.4053 -6.3936 -6.2243 -6.2148 -6.1949 -6.1897 0.9777 0.9861 1.2436 1.2459 1.3689 1.3752 2.0739 2.0847 2.2357 2.2492 2.2836 2.2868 2.3963 2.4085 2.6164 2.6306 2.6861 2.6992 2.7166 2.7415 3.1820 3.2122 3.2299 3.2313 3.8086 3.8151 4.0295 4.0582 4.0950 4.1340 4.1464 4.2165 4.2730 4.2845 4.2934 4.3103 4.4712 4.4761 4.5290 4.5672 4.5824 4.6103 4.7062 4.7852 4.8756 4.8801 4.9872 5.0876 5.6684 5.6910 5.8032 5.8073 5.8442 5.8686 8.2836 8.2844 8.3952 8.4237 8.8071 8.8134 9.0706 9.0860 9.2027 9.2341 10.5067 10.5092 11.2734 11.2783 k = 0.2195 0.5000 0.2195 ( 6312 PWs) bands (ev): -48.6007 -48.6007 -26.2752 -26.2752 -24.2081 -24.2081 -24.2066 -24.2066 -6.6962 -6.6951 -6.4101 -6.3988 -6.2155 -6.2059 -6.1866 -6.1817 0.9616 0.9698 1.2462 1.2483 1.3797 1.3853 2.0787 2.0896 2.2351 2.2488 2.2836 2.2871 2.3879 2.4006 2.6274 2.6424 2.6925 2.7044 2.7062 2.7296 3.2022 3.2312 3.2461 3.2487 3.8000 3.8049 4.0269 4.0549 4.0925 4.1374 4.1416 4.2118 4.2785 4.2832 4.2942 4.3099 4.4810 4.4814 4.5296 4.5697 4.5942 4.6176 4.6946 4.7734 4.8960 4.8988 5.0068 5.1122 5.6273 5.6541 5.7851 5.7875 5.8355 5.8569 8.2626 8.2670 8.4080 8.4373 8.7911 8.7924 9.0391 9.0542 9.1826 9.2147 10.5148 10.5164 11.3399 11.3455 k = 0.2073 0.5000 0.2073 ( 6304 PWs) bands (ev): -48.6007 -48.6007 -26.2752 -26.2752 -24.2080 -24.2080 -24.2064 -24.2064 -6.7105 -6.7096 -6.4149 -6.4040 -6.2068 -6.1972 -6.1783 -6.1739 0.9452 0.9532 1.2481 1.2499 1.3897 1.3945 2.0829 2.0937 2.2356 2.2493 2.2840 2.2879 2.3801 2.3931 2.6373 2.6521 2.6923 2.7021 2.7116 2.7216 3.2230 3.2505 3.2627 3.2666 3.7919 3.7952 4.0237 4.0519 4.0905 4.1372 4.1408 4.2068 4.2814 4.2842 4.2954 4.3101 4.4845 4.4890 4.5314 4.5727 4.6065 4.6221 4.6840 4.7602 4.9125 4.9224 5.0261 5.1355 5.5848 5.6151 5.7661 5.7740 5.8293 5.8480 8.2398 8.2475 8.4219 8.4521 8.7750 8.7784 9.0070 9.0216 9.1620 9.1947 10.5214 10.5220 11.4051 11.4117 k = 0.1951 0.5000 0.1951 ( 6304 PWs) bands (ev): -48.6007 -48.6007 -26.2751 -26.2751 -24.2080 -24.2080 -24.2063 -24.2063 -6.7244 -6.7235 -6.4197 -6.4093 -6.1982 -6.1887 -6.1702 -6.1661 0.9285 0.9363 1.2493 1.2508 1.3986 1.4026 2.0864 2.0972 2.2370 2.2506 2.2846 2.2890 2.3728 2.3862 2.6449 2.6562 2.6896 2.7088 2.7098 2.7238 3.2444 3.2699 3.2799 3.2850 3.7842 3.7859 4.0201 4.0491 4.0893 4.1334 4.1439 4.2016 4.2797 4.2895 4.2969 4.3106 4.4863 4.4922 4.5362 4.5764 4.6191 4.6213 4.6772 4.7458 4.9294 4.9460 5.0450 5.1571 5.5413 5.5748 5.7504 5.7628 5.8252 5.8416 8.2154 8.2262 8.4369 8.4679 8.7612 8.7690 8.9747 8.9888 9.1410 9.1742 10.5256 10.5261 11.4681 11.4758 k = 0.1829 0.5000 0.1829 ( 6308 PWs) bands (ev): -48.6007 -48.6007 -26.2750 -26.2750 -24.2079 -24.2079 -24.2061 -24.2061 -6.7378 -6.7370 -6.4243 -6.4144 -6.1898 -6.1804 -6.1622 -6.1586 0.9118 0.9193 1.2499 1.2511 1.4065 1.4098 2.0895 2.1001 2.2392 2.2526 2.2855 2.2903 2.3661 2.3798 2.6488 2.6528 2.6946 2.7078 2.7163 2.7303 3.2661 3.2890 3.2980 3.3037 3.7769 3.7771 4.0162 4.0466 4.0888 4.1301 4.1466 4.1966 4.2775 4.2945 4.2986 4.3116 4.4864 4.4904 4.5447 4.5811 4.6131 4.6315 4.6764 4.7308 4.9464 4.9691 5.0634 5.1768 5.4974 5.5335 5.7378 5.7543 5.8229 5.8372 8.1899 8.2032 8.4528 8.4846 8.7507 8.7625 8.9425 8.9560 9.1196 9.1534 10.5271 10.5284 11.5277 11.5367 k = 0.1707 0.5000 0.1707 ( 6300 PWs) bands (ev): -48.6007 -48.6007 -26.2750 -26.2750 -24.2079 -24.2079 -24.2060 -24.2060 -6.7505 -6.7498 -6.4289 -6.4195 -6.1817 -6.1723 -6.1545 -6.1513 0.8953 0.9024 1.2498 1.2508 1.4134 1.4161 2.0920 2.1025 2.2423 2.2553 2.2864 2.2917 2.3601 2.3740 2.6460 2.6488 2.7034 2.7100 2.7240 2.7373 3.2878 3.3074 3.3172 3.3229 3.7686 3.7699 4.0123 4.0444 4.0891 4.1274 4.1490 4.1919 4.2749 4.2991 4.3005 4.3128 4.4850 4.4850 4.5556 4.5867 4.5996 4.6433 4.6803 4.7160 4.9635 4.9912 5.0812 5.1941 5.4535 5.4920 5.7286 5.7487 5.8221 5.8344 8.1638 8.1790 8.4696 8.5021 8.7433 8.7583 8.9112 8.9239 9.0980 9.1322 10.5262 10.5284 11.5827 11.5932 k = 0.1585 0.5000 0.1585 ( 6300 PWs) bands (ev): -48.6007 -48.6007 -26.2749 -26.2749 -24.2078 -24.2078 -24.2059 -24.2058 -6.7627 -6.7620 -6.4333 -6.4245 -6.1738 -6.1647 -6.1470 -6.1442 0.8790 0.8857 1.2492 1.2500 1.4193 1.4214 2.0941 2.1043 2.2459 2.2585 2.2874 2.2931 2.3547 2.3688 2.6391 2.6460 2.7128 2.7152 2.7318 2.7443 3.3093 3.3252 3.3371 3.3424 3.7604 3.7629 4.0088 4.0425 4.0902 4.1252 4.1508 4.1878 4.2719 4.3026 4.3032 4.3143 4.4772 4.4822 4.5669 4.5842 4.5929 4.6529 4.6865 4.7031 4.9804 5.0117 5.0981 5.2086 5.4099 5.4505 5.7228 5.7461 5.8224 5.8330 8.1376 8.1541 8.4870 8.5203 8.7382 8.7556 8.8814 8.8932 9.0762 9.1108 10.5227 10.5257 11.6317 11.6435 k = 0.1463 0.5000 0.1463 ( 6308 PWs) bands (ev): -48.6008 -48.6008 -26.2748 -26.2748 -24.2078 -24.2078 -24.2057 -24.2057 -6.7741 -6.7735 -6.4375 -6.4292 -6.1663 -6.1574 -6.1399 -6.1375 0.8631 0.8695 1.2481 1.2487 1.4243 1.4259 2.0958 2.1057 2.2500 2.2621 2.2884 2.2945 2.3500 2.3641 2.6329 2.6421 2.7217 2.7219 2.7397 2.7511 3.3304 3.3425 3.3572 3.3622 3.7525 3.7559 4.0060 4.0409 4.0920 4.1238 4.1520 4.1846 4.2684 4.3047 4.3068 4.3156 4.4677 4.4784 4.5619 4.5843 4.5990 4.6564 4.6935 4.6966 4.9969 5.0305 5.1139 5.2201 5.3670 5.4095 5.7205 5.7467 5.8236 5.8324 8.1117 8.1288 8.5049 8.5391 8.7342 8.7532 8.8542 8.8651 9.0543 9.0892 10.5169 10.5205 11.6725 11.6855 k = 0.1341 0.5000 0.1341 ( 6312 PWs) bands (ev): -48.6008 -48.6008 -26.2748 -26.2748 -24.2078 -24.2078 -24.2056 -24.2056 -6.7848 -6.7842 -6.4414 -6.4338 -6.1591 -6.1506 -6.1331 -6.1310 0.8479 0.8538 1.2467 1.2472 1.4285 1.4296 2.0972 2.1066 2.2544 2.2659 2.2893 2.2957 2.3460 2.3599 2.6277 2.6380 2.7290 2.7299 2.7475 2.7576 3.3508 3.3597 3.3772 3.3821 3.7448 3.7488 4.0042 4.0396 4.0943 4.1233 4.1527 4.1824 4.2644 4.3070 4.3099 4.3167 4.4573 4.4739 4.5439 4.5976 4.6037 4.6512 4.7004 4.7008 5.0128 5.0472 5.1281 5.2280 5.3256 5.3694 5.7217 5.7506 5.8255 5.8326 8.0865 8.1038 8.5233 8.5582 8.7297 8.7493 8.8312 8.8415 9.0323 9.0675 10.5087 10.5128 11.7022 11.7144 k = 0.1220 0.5000 0.1220 ( 6318 PWs) bands (ev): -48.6008 -48.6008 -26.2747 -26.2747 -24.2077 -24.2077 -24.2055 -24.2055 -6.7947 -6.7942 -6.4451 -6.4381 -6.1524 -6.1443 -6.1267 -6.1250 0.8334 0.8389 1.2450 1.2453 1.4318 1.4326 2.0981 2.1070 2.2589 2.2698 2.2902 2.2966 2.3427 2.3563 2.6237 2.6344 2.7359 2.7373 2.7550 2.7637 3.3705 3.3765 3.3967 3.4018 3.7373 3.7415 4.0037 4.0387 4.0970 4.1238 4.1530 4.1811 4.2598 4.3095 4.3124 4.3172 4.4463 4.4689 4.5252 4.6033 4.6120 4.6455 4.7082 4.7100 5.0279 5.0619 5.1403 5.2318 5.2866 5.3305 5.7264 5.7574 5.8278 5.8333 8.0624 8.0794 8.5418 8.5774 8.7226 8.7413 8.8144 8.8248 9.0103 9.0456 10.4986 10.5029 11.7153 11.7220 k = 0.1098 0.5000 0.1098 ( 6318 PWs) bands (ev): -48.6008 -48.6008 -26.2747 -26.2747 -24.2077 -24.2077 -24.2054 -24.2054 -6.8038 -6.8034 -6.4485 -6.4421 -6.1461 -6.1386 -6.1208 -6.1194 0.8199 0.8248 1.2431 1.2433 1.4346 1.4350 2.0988 2.1071 2.2635 2.2737 2.2910 2.2973 2.3402 2.3531 2.6209 2.6315 2.7424 2.7439 2.7620 2.7694 3.3892 3.3929 3.4156 3.4210 3.7298 3.7339 4.0046 4.0380 4.0999 4.1256 4.1532 4.1806 4.2546 4.3120 4.3145 4.3166 4.4353 4.4636 4.5068 4.5942 4.6268 4.6467 4.7153 4.7213 5.0420 5.0745 5.1503 5.2275 5.2547 5.2933 5.7342 5.7666 5.8305 5.8342 8.0398 8.0561 8.5601 8.5962 8.7117 8.7282 8.8052 8.8164 8.9884 9.0237 10.4868 10.4913 11.7068 11.7085 k = 0.0976 0.5000 0.0976 ( 6324 PWs) bands (ev): -48.6009 -48.6009 -26.2746 -26.2746 -24.2077 -24.2077 -24.2053 -24.2053 -6.8120 -6.8116 -6.4516 -6.4459 -6.1403 -6.1334 -6.1153 -6.1142 0.8074 0.8118 1.2412 1.2413 1.4367 1.4369 2.0992 2.1068 2.2679 2.2773 2.2919 2.2977 2.3383 2.3503 2.6190 2.6292 2.7483 2.7499 2.7683 2.7745 3.4069 3.4088 3.4336 3.4394 3.7224 3.7259 4.0069 4.0376 4.1028 4.1289 4.1535 4.1808 4.2489 4.3134 4.3156 4.3161 4.4250 4.4581 4.4893 4.5790 4.6420 4.6534 4.7220 4.7327 5.0548 5.0851 5.1580 5.2037 5.2420 5.2582 5.7445 5.7777 5.8335 5.8354 8.0189 8.0342 8.5773 8.6135 8.6983 8.7126 8.8028 8.8145 8.9667 9.0018 10.4739 10.4783 11.6815 11.6883 k = 0.0854 0.5000 0.0854 ( 6324 PWs) bands (ev): -48.6009 -48.6009 -26.2746 -26.2746 -24.2076 -24.2076 -24.2052 -24.2052 -6.8194 -6.8190 -6.4543 -6.4492 -6.1351 -6.1288 -6.1104 -6.1095 0.7961 0.8000 1.2392 1.2393 1.4383 1.4384 2.0994 2.1063 2.2721 2.2807 2.2927 2.2979 2.3371 2.3480 2.6180 2.6275 2.7535 2.7551 2.7739 2.7791 3.4233 3.4239 3.4504 3.4567 3.7150 3.7178 4.0104 4.0375 4.1059 4.1338 4.1539 4.1812 4.2428 4.3090 4.3174 4.3180 4.4162 4.4527 4.4733 4.5613 4.6573 4.6625 4.7281 4.7437 5.0659 5.0936 5.1632 5.1736 5.2260 5.2368 5.7567 5.7898 5.8366 5.8367 8.0000 8.0139 8.5921 8.6268 8.6861 8.6999 8.8048 8.8162 8.9451 8.9798 10.4604 10.4646 11.6551 11.6639 k = 0.0732 0.5000 0.0732 ( 6324 PWs) bands (ev): -48.6009 -48.6009 -26.2746 -26.2746 -24.2076 -24.2076 -24.2052 -24.2052 -6.8258 -6.8255 -6.4566 -6.4523 -6.1304 -6.1249 -6.1061 -6.1054 0.7861 0.7895 1.2374 1.2374 1.4395 1.4395 2.0995 2.1055 2.2758 2.2835 2.2936 2.2980 2.3363 2.3459 2.6178 2.6264 2.7581 2.7597 2.7788 2.7831 3.4381 3.4384 3.4659 3.4725 3.7078 3.7097 4.0149 4.0376 4.1094 4.1401 4.1547 4.1818 4.2364 4.3014 4.3185 4.3207 4.4096 4.4473 4.4592 4.5426 4.6726 4.6726 4.7335 4.7536 5.0745 5.0999 5.1465 5.1648 5.1987 5.2314 5.7699 5.8020 5.8380 5.8398 7.9834 7.9957 8.6017 8.6306 8.6796 8.6971 8.8092 8.8194 8.9238 8.9579 10.4471 10.4509 11.6310 11.6400 k = 0.0610 0.5000 0.0610 ( 6332 PWs) bands (ev): -48.6009 -48.6009 -26.2746 -26.2746 -24.2076 -24.2076 -24.2051 -24.2051 -6.8312 -6.8310 -6.4586 -6.4549 -6.1263 -6.1216 -6.1024 -6.1018 0.7775 0.7803 1.2356 1.2356 1.4403 1.4404 2.0995 2.1046 2.2790 2.2858 2.2946 2.2981 2.3360 2.3442 2.6181 2.6256 2.7620 2.7635 2.7829 2.7864 3.4510 3.4518 3.4799 3.4865 3.7007 3.7017 4.0199 4.0378 4.1136 4.1477 4.1555 4.1823 4.2299 4.2908 4.3193 4.3232 4.4057 4.4421 4.4477 4.5236 4.6830 4.6876 4.7378 4.7620 5.0785 5.1032 5.1264 5.1573 5.1834 5.2250 5.7830 5.8132 5.8396 5.8431 7.9691 7.9797 8.6032 8.6240 8.6827 8.7062 8.8148 8.8230 8.9031 8.9361 10.4345 10.4379 11.6102 11.6185 k = 0.0488 0.5000 0.0488 ( 6336 PWs) bands (ev): -48.6009 -48.6009 -26.2745 -26.2745 -24.2076 -24.2076 -24.2050 -24.2050 -6.8357 -6.8356 -6.4601 -6.4572 -6.1228 -6.1190 -6.0993 -6.0989 0.7704 0.7727 1.2341 1.2342 1.4409 1.4410 2.0995 2.1037 2.2816 2.2872 2.2956 2.2983 2.3361 2.3427 2.6188 2.6250 2.7653 2.7666 2.7863 2.7890 3.4623 3.4632 3.4922 3.4985 3.6941 3.6943 4.0249 4.0381 4.1189 4.1561 4.1564 4.1828 4.2237 4.2777 4.3202 4.3250 4.4047 4.4372 4.4392 4.5049 4.6932 4.7018 4.7412 4.7681 5.0746 5.1016 5.1175 5.1425 5.1813 5.2181 5.7954 5.8220 5.8419 5.8463 7.9574 7.9660 8.5987 8.6130 8.6940 8.7213 8.8205 8.8262 8.8835 8.9145 10.4233 10.4261 11.5933 11.6004 k = 0.0366 0.5000 0.0366 ( 6348 PWs) bands (ev): -48.6010 -48.6010 -26.2745 -26.2745 -24.2076 -24.2076 -24.2050 -24.2050 -6.8393 -6.8391 -6.4613 -6.4591 -6.1200 -6.1171 -6.0968 -6.0966 0.7649 0.7666 1.2329 1.2329 1.4413 1.4414 2.0995 2.1027 2.2836 2.2880 2.2967 2.2987 2.3364 2.3413 2.6197 2.6245 2.7679 2.7690 2.7889 2.7910 3.4716 3.4725 3.5025 3.5080 3.6879 3.6882 4.0294 4.0384 4.1252 4.1560 4.1657 4.1833 4.2181 4.2629 4.3210 4.3260 4.4064 4.4325 4.4340 4.4869 4.7029 4.7144 4.7441 4.7714 5.0658 5.0927 5.1176 5.1334 5.1825 5.2110 5.8061 5.8272 5.8454 5.8494 7.9485 7.9550 8.5924 8.6021 8.7096 8.7377 8.8260 8.8282 8.8658 8.8933 10.4140 10.4161 11.5803 11.5859 k = 0.0244 0.5000 0.0244 ( 6346 PWs) bands (ev): -48.6010 -48.6010 -26.2745 -26.2745 -24.2076 -24.2076 -24.2050 -24.2050 -6.8418 -6.8417 -6.4620 -6.4605 -6.1178 -6.1159 -6.0951 -6.0949 0.7609 0.7621 1.2320 1.2320 1.4416 1.4417 2.0997 2.1018 2.2852 2.2881 2.2977 2.2990 2.3369 2.3402 2.6207 2.6240 2.7698 2.7706 2.7909 2.7923 3.4786 3.4793 3.5107 3.5148 3.6829 3.6835 4.0330 4.0385 4.1322 4.1545 4.1752 4.1842 4.2143 4.2476 4.3220 4.3261 4.4104 4.4282 4.4326 4.4701 4.7115 4.7233 4.7480 4.7715 5.0588 5.0798 5.1206 5.1299 5.1849 5.2042 5.8147 5.8289 5.8496 5.8520 7.9423 7.9467 8.5871 8.5932 8.7265 8.7518 8.8291 8.8309 8.8519 8.8730 10.4071 10.4086 11.5714 11.5752 k = 0.0122 0.5000 0.0122 ( 6350 PWs) bands (ev): -48.6010 -48.6010 -26.2745 -26.2745 -24.2076 -24.2076 -24.2050 -24.2050 -6.8433 -6.8432 -6.4623 -6.4615 -6.1163 -6.1153 -6.0940 -6.0939 0.7587 0.7593 1.2314 1.2315 1.4417 1.4418 2.1000 2.1010 2.2864 2.2879 2.2985 2.2991 2.3375 2.3391 2.6217 2.6234 2.7711 2.7715 2.7922 2.7929 3.4830 3.4834 3.5163 3.5185 3.6798 3.6802 4.0356 4.0381 4.1394 4.1512 4.1826 4.1853 4.2143 4.2330 4.3231 4.3254 4.4154 4.4241 4.4354 4.4552 4.7188 4.7262 4.7545 4.7682 5.0566 5.0679 5.1238 5.1282 5.1883 5.1980 5.8212 5.8281 5.8528 5.8538 7.9390 7.9412 8.5841 8.5871 8.7426 8.7589 8.8309 8.8351 8.8435 8.8543 10.4030 10.4037 11.5664 11.5684 k = 0.0000 0.5000-0.0000 ( 6382 PWs) bands (ev): -48.6012 -48.6012 -26.2745 -26.2745 -24.2076 -24.2076 -24.2050 -24.2050 -6.8438 -6.8438 -6.4621 -6.4621 -6.1155 -6.1155 -6.0936 -6.0936 0.7581 0.7581 1.2313 1.2313 1.4418 1.4418 2.1004 2.1004 2.2873 2.2873 2.2990 2.2990 2.3382 2.3382 2.6226 2.6226 2.7716 2.7716 2.7929 2.7929 3.4846 3.4846 3.5190 3.5190 3.6789 3.6789 4.0372 4.0372 4.1459 4.1459 4.1856 4.1856 4.2208 4.2208 4.3242 4.3242 4.4199 4.4199 4.4431 4.4431 4.7240 4.7240 4.7620 4.7620 5.0597 5.0597 5.1262 5.1262 5.1926 5.1926 5.8256 5.8256 5.8542 5.8542 7.9386 7.9386 8.5840 8.5840 8.7549 8.7549 8.8388 8.8388 8.8393 8.8393 10.4018 10.4018 11.5654 11.5654 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -48.6004 -48.6004 -26.2754 -26.2754 -24.2088 -24.2088 -24.2063 -24.2063 -6.5807 -6.5807 -6.3702 -6.3702 -6.3382 -6.3382 -6.2134 -6.2134 1.1461 1.1461 1.2787 1.2787 1.2935 1.2935 2.2199 2.2199 2.3205 2.3205 2.4156 2.4156 2.4164 2.4164 2.4223 2.4223 2.6326 2.6326 2.7464 2.7464 3.0205 3.0205 3.0524 3.0524 3.8099 3.8099 4.0859 4.0859 4.1274 4.1274 4.1747 4.1747 4.2934 4.2934 4.3258 4.3258 4.3379 4.3379 4.7033 4.7033 4.7330 4.7330 4.7819 4.7819 4.8703 4.8703 4.8954 4.8954 5.4872 5.4872 5.4974 5.4974 6.1043 6.1043 8.4882 8.4882 8.5024 8.5024 8.5670 8.5670 9.2235 9.2235 9.2245 9.2245 11.2157 11.2157 11.2200 11.2200 k = 0.5000 0.5000 0.0172 ( 6264 PWs) bands (ev): -48.6005 -48.6005 -26.2754 -26.2754 -24.2088 -24.2088 -24.2063 -24.2063 -6.5803 -6.5803 -6.3702 -6.3702 -6.3382 -6.3382 -6.2136 -6.2136 1.1462 1.1462 1.2782 1.2782 1.2931 1.2931 2.2201 2.2201 2.3198 2.3198 2.4149 2.4149 2.4159 2.4159 2.4199 2.4199 2.6368 2.6368 2.7460 2.7460 3.0205 3.0205 3.0524 3.0524 3.8105 3.8105 4.0861 4.0861 4.1265 4.1265 4.1754 4.1754 4.2931 4.2931 4.3251 4.3251 4.3383 4.3383 4.7013 4.7013 4.7334 4.7334 4.7815 4.7815 4.8687 4.8687 4.8964 4.8964 5.4880 5.4880 5.5009 5.5009 6.1048 6.1048 8.4723 8.4723 8.5100 8.5100 8.5766 8.5766 9.2238 9.2238 9.2254 9.2254 11.2128 11.2128 11.2171 11.2171 k = 0.5000 0.5000 0.0345 ( 6272 PWs) bands (ev): -48.6005 -48.6005 -26.2754 -26.2754 -24.2088 -24.2088 -24.2063 -24.2063 -6.5793 -6.5793 -6.3701 -6.3701 -6.3381 -6.3381 -6.2141 -6.2141 1.1465 1.1465 1.2768 1.2768 1.2918 1.2918 2.2210 2.2210 2.3174 2.3174 2.4050 2.4050 2.4162 2.4162 2.4200 2.4200 2.6485 2.6485 2.7449 2.7449 3.0205 3.0205 3.0524 3.0524 3.8123 3.8123 4.0868 4.0868 4.1240 4.1240 4.1774 4.1774 4.2920 4.2920 4.3232 4.3232 4.3393 4.3393 4.6960 4.6960 4.7340 4.7340 4.7801 4.7801 4.8647 4.8647 4.8989 4.8989 5.4918 5.4918 5.5103 5.5103 6.1063 6.1063 8.4478 8.4478 8.5144 8.5144 8.6005 8.6005 9.2251 9.2251 9.2276 9.2276 11.2041 11.2041 11.2083 11.2083 k = 0.5000 0.5000 0.0517 ( 6264 PWs) bands (ev): -48.6005 -48.6005 -26.2754 -26.2754 -24.2088 -24.2088 -24.2063 -24.2063 -6.5776 -6.5776 -6.3700 -6.3700 -6.3380 -6.3380 -6.2150 -6.2150 1.1470 1.1470 1.2746 1.2746 1.2896 1.2896 2.2225 2.2225 2.3130 2.3130 2.3890 2.3890 2.4173 2.4173 2.4221 2.4221 2.6655 2.6655 2.7432 2.7432 3.0205 3.0205 3.0523 3.0523 3.8152 3.8152 4.0880 4.0880 4.1203 4.1203 4.1803 4.1803 4.2902 4.2902 4.3209 4.3209 4.3406 4.3406 4.6884 4.6884 4.7341 4.7341 4.7779 4.7779 4.8590 4.8590 4.9018 4.9018 5.4996 5.4996 5.5242 5.5242 6.1087 6.1087 8.4226 8.4226 8.5152 8.5152 8.6315 8.6315 9.2275 9.2275 9.2311 9.2311 11.1899 11.1899 11.1939 11.1939 k = 0.5000 0.5000 0.0690 ( 6280 PWs) bands (ev): -48.6006 -48.6006 -26.2754 -26.2754 -24.2089 -24.2089 -24.2064 -24.2064 -6.5752 -6.5752 -6.3698 -6.3698 -6.3379 -6.3379 -6.2163 -6.2163 1.1476 1.1476 1.2714 1.2714 1.2866 1.2866 2.2245 2.2245 2.3054 2.3054 2.3716 2.3716 2.4190 2.4190 2.4251 2.4251 2.6857 2.6857 2.7408 2.7408 3.0205 3.0205 3.0522 3.0522 3.8192 3.8192 4.0893 4.0893 4.1159 4.1159 4.1839 4.1839 4.2874 4.2874 4.3185 4.3185 4.3417 4.3417 4.6790 4.6790 4.7329 4.7329 4.7746 4.7746 4.8523 4.8523 4.9046 4.9046 5.5117 5.5117 5.5421 5.5421 6.1121 6.1121 8.3982 8.3982 8.5143 8.5143 8.6658 8.6658 9.2308 9.2308 9.2355 9.2355 11.1704 11.1704 11.1741 11.1741 k = 0.5000 0.5000 0.0862 ( 6288 PWs) bands (ev): -48.6006 -48.6006 -26.2755 -26.2755 -24.2089 -24.2089 -24.2065 -24.2065 -6.5722 -6.5722 -6.3696 -6.3696 -6.3377 -6.3377 -6.2179 -6.2179 1.1484 1.1484 1.2675 1.2675 1.2828 1.2828 2.2270 2.2270 2.2930 2.2930 2.3559 2.3559 2.4215 2.4215 2.4288 2.4288 2.7076 2.7076 2.7378 2.7378 3.0204 3.0204 3.0520 3.0520 3.8243 3.8243 4.0905 4.0905 4.1115 4.1115 4.1877 4.1877 4.2838 4.2838 4.3163 4.3163 4.3427 4.3427 4.6684 4.6684 4.7303 4.7303 4.7703 4.7703 4.8447 4.8447 4.9068 4.9068 5.5282 5.5282 5.5636 5.5636 6.1164 6.1164 8.3754 8.3754 8.5125 8.5125 8.7022 8.7022 9.2351 9.2351 9.2409 9.2409 11.1459 11.1459 11.1494 11.1494 k = 0.5000 0.5000 0.1034 ( 6300 PWs) bands (ev): -48.6007 -48.6007 -26.2755 -26.2755 -24.2089 -24.2089 -24.2065 -24.2065 -6.5685 -6.5685 -6.3693 -6.3693 -6.3375 -6.3375 -6.2198 -6.2198 1.1492 1.1492 1.2628 1.2628 1.2783 1.2783 2.2301 2.2301 2.2749 2.2749 2.3443 2.3443 2.4246 2.4246 2.4332 2.4332 2.7300 2.7300 2.7342 2.7342 3.0203 3.0203 3.0517 3.0517 3.8304 3.8304 4.0906 4.0906 4.1083 4.1083 4.1917 4.1917 4.2793 4.2793 4.3145 4.3145 4.3437 4.3437 4.6569 4.6569 4.7263 4.7263 4.7649 4.7649 4.8366 4.8366 4.9082 4.9082 5.5490 5.5490 5.5884 5.5884 6.1216 6.1216 8.3543 8.3543 8.5100 8.5100 8.7399 8.7399 9.2402 9.2402 9.2470 9.2470 11.1171 11.1171 11.1203 11.1203 k = 0.5000 0.5000 0.1207 ( 6292 PWs) bands (ev): -48.6006 -48.6006 -26.2755 -26.2755 -24.2089 -24.2089 -24.2066 -24.2066 -6.5643 -6.5643 -6.3689 -6.3689 -6.3372 -6.3372 -6.2222 -6.2222 1.1500 1.1500 1.2573 1.2573 1.2732 1.2732 2.2338 2.2338 2.2521 2.2521 2.3363 2.3363 2.4284 2.4284 2.4383 2.4383 2.7297 2.7297 2.7530 2.7530 3.0201 3.0201 3.0513 3.0513 3.8375 3.8375 4.0882 4.0882 4.1077 4.1077 4.1956 4.1956 4.2741 4.2741 4.3133 4.3133 4.3447 4.3447 4.6445 4.6445 4.7210 4.7210 4.7582 4.7582 4.8281 4.8281 4.9085 4.9085 5.5737 5.5737 5.6164 5.6164 6.1275 6.1275 8.3354 8.3354 8.5070 8.5070 8.7787 8.7787 9.2459 9.2459 9.2536 9.2536 11.0843 11.0843 11.0873 11.0873 k = 0.5000 0.5000 0.1379 ( 6292 PWs) bands (ev): -48.6006 -48.6006 -26.2756 -26.2756 -24.2089 -24.2089 -24.2067 -24.2067 -6.5594 -6.5594 -6.3686 -6.3686 -6.3370 -6.3370 -6.2248 -6.2248 1.1507 1.1507 1.2512 1.2512 1.2674 1.2674 2.2265 2.2265 2.2381 2.2381 2.3307 2.3307 2.4330 2.4330 2.4440 2.4440 2.7248 2.7248 2.7753 2.7753 3.0198 3.0198 3.0508 3.0508 3.8455 3.8455 4.0837 4.0837 4.1097 4.1097 4.1994 4.1994 4.2684 4.2684 4.3125 4.3125 4.3457 4.3457 4.6314 4.6314 4.7146 4.7146 4.7501 4.7501 4.8190 4.8190 4.9077 4.9077 5.6020 5.6020 5.6470 5.6470 6.1342 6.1342 8.3188 8.3188 8.5035 8.5035 8.8182 8.8182 9.2519 9.2519 9.2606 9.2606 11.0483 11.0483 11.0511 11.0511 k = 0.5000 0.5000 0.1552 ( 6300 PWs) bands (ev): -48.6007 -48.6007 -26.2756 -26.2756 -24.2089 -24.2089 -24.2069 -24.2069 -6.5539 -6.5539 -6.3682 -6.3682 -6.3366 -6.3366 -6.2279 -6.2279 1.1514 1.1514 1.2446 1.2446 1.2610 1.2610 2.1998 2.1998 2.2428 2.2428 2.3266 2.3266 2.4381 2.4381 2.4503 2.4503 2.7193 2.7193 2.7971 2.7971 3.0194 3.0194 3.0501 3.0501 3.8542 3.8542 4.0781 4.0781 4.1132 4.1132 4.2030 4.2030 4.2624 4.2624 4.3120 4.3120 4.3469 4.3469 4.6177 4.6177 4.7072 4.7072 4.7407 4.7407 4.8097 4.8097 4.9055 4.9055 5.6337 5.6337 5.6801 5.6801 6.1415 6.1415 8.3047 8.3047 8.4996 8.4996 8.8581 8.8581 9.2581 9.2581 9.2677 9.2677 11.0096 11.0096 11.0125 11.0125 k = 0.5000 0.5000 0.1724 ( 6312 PWs) bands (ev): -48.6007 -48.6007 -26.2757 -26.2757 -24.2089 -24.2089 -24.2070 -24.2070 -6.5479 -6.5479 -6.3677 -6.3677 -6.3363 -6.3363 -6.2313 -6.2313 1.1518 1.1518 1.2375 1.2375 1.2542 1.2542 2.1725 2.1725 2.2479 2.2479 2.3236 2.3236 2.4439 2.4439 2.4571 2.4571 2.7133 2.7133 2.8179 2.8179 3.0189 3.0189 3.0491 3.0491 3.8636 3.8636 4.0722 4.0722 4.1174 4.1174 4.2062 4.2062 4.2562 4.2562 4.3120 4.3120 4.3482 4.3482 4.6035 4.6035 4.6989 4.6989 4.7302 4.7302 4.8001 4.8001 4.9017 4.9017 5.6682 5.6682 5.7154 5.7154 6.1493 6.1493 8.2931 8.2931 8.4954 8.4954 8.8980 8.8980 9.2643 9.2643 9.2746 9.2746 10.9691 10.9691 10.9722 10.9722 k = 0.5000 0.5000 0.1897 ( 6304 PWs) bands (ev): -48.6007 -48.6007 -26.2757 -26.2757 -24.2089 -24.2089 -24.2071 -24.2071 -6.5414 -6.5414 -6.3673 -6.3673 -6.3360 -6.3360 -6.2351 -6.2351 1.1520 1.1520 1.2300 1.2300 1.2470 1.2470 2.1453 2.1453 2.2535 2.2535 2.3215 2.3215 2.4503 2.4503 2.4646 2.4646 2.7068 2.7068 2.8378 2.8378 3.0182 3.0182 3.0480 3.0480 3.8735 3.8735 4.0666 4.0666 4.1223 4.1223 4.2090 4.2090 4.2504 4.2504 4.3122 4.3122 4.3500 4.3500 4.5889 4.5889 4.6898 4.6898 4.7187 4.7187 4.7904 4.7904 4.8964 4.8964 5.7051 5.7051 5.7525 5.7525 6.1577 6.1577 8.2842 8.2842 8.4909 8.4909 8.9376 8.9376 9.2700 9.2700 9.2810 9.2810 10.9275 10.9275 10.9310 10.9310 k = 0.5000 0.5000 0.2069 ( 6312 PWs) bands (ev): -48.6007 -48.6007 -26.2758 -26.2758 -24.2089 -24.2089 -24.2072 -24.2072 -6.5344 -6.5344 -6.3668 -6.3668 -6.3356 -6.3356 -6.2392 -6.2392 1.1519 1.1519 1.2222 1.2222 1.2394 1.2394 2.1185 2.1185 2.2596 2.2596 2.3202 2.3202 2.4572 2.4572 2.4725 2.4725 2.6999 2.6999 2.8566 2.8566 3.0174 3.0174 3.0466 3.0466 3.8838 3.8838 4.0613 4.0613 4.1275 4.1275 4.2111 4.2111 4.2450 4.2450 4.3126 4.3126 4.3519 4.3519 4.5741 4.5741 4.6797 4.6797 4.7067 4.7067 4.7806 4.7806 4.8893 4.8893 5.7440 5.7440 5.7910 5.7910 6.1664 6.1664 8.2781 8.2781 8.4861 8.4861 8.9765 8.9765 9.2752 9.2752 9.2868 9.2868 10.8855 10.8855 10.8896 10.8896 k = 0.5000 0.5000 0.2241 ( 6312 PWs) bands (ev): -48.6007 -48.6007 -26.2758 -26.2758 -24.2089 -24.2089 -24.2074 -24.2074 -6.5269 -6.5269 -6.3663 -6.3663 -6.3352 -6.3352 -6.2436 -6.2436 1.1515 1.1515 1.2144 1.2144 1.2317 1.2317 2.0923 2.0923 2.2660 2.2660 2.3197 2.3197 2.4646 2.4646 2.4809 2.4809 2.6926 2.6926 2.8742 2.8742 3.0164 3.0164 3.0450 3.0450 3.8942 3.8942 4.0568 4.0568 4.1331 4.1331 4.2122 4.2122 4.2406 4.2406 4.3131 4.3131 4.3544 4.3544 4.5591 4.5591 4.6684 4.6684 4.6948 4.6948 4.7706 4.7706 4.8804 4.8804 5.7844 5.7844 5.8307 5.8307 6.1754 6.1754 8.2749 8.2749 8.4812 8.4812 9.0142 9.0142 9.2794 9.2794 9.2915 9.2915 10.8440 10.8440 10.8486 10.8486 k = 0.5000 0.5000 0.2414 ( 6296 PWs) bands (ev): -48.6006 -48.6006 -26.2758 -26.2758 -24.2089 -24.2089 -24.2075 -24.2075 -6.5191 -6.5191 -6.3658 -6.3658 -6.3349 -6.3349 -6.2485 -6.2485 1.1506 1.1506 1.2065 1.2065 1.2239 1.2239 2.0670 2.0670 2.2728 2.2728 2.3201 2.3201 2.4725 2.4725 2.4897 2.4897 2.6850 2.6850 2.8906 2.8906 3.0152 3.0152 3.0431 3.0431 3.9044 3.9044 4.0534 4.0534 4.1388 4.1388 4.2120 4.2120 4.2376 4.2376 4.3136 4.3136 4.3573 4.3573 4.5442 4.5442 4.6559 4.6559 4.6834 4.6834 4.7605 4.7605 4.8696 4.8696 5.8258 5.8258 5.8711 5.8711 6.1845 6.1845 8.2744 8.2744 8.4762 8.4762 9.0503 9.0503 9.2825 9.2825 9.2950 9.2950 10.8035 10.8035 10.8087 10.8087 k = 0.5000 0.5000 0.2586 ( 6296 PWs) bands (ev): -48.6006 -48.6006 -26.2759 -26.2759 -24.2089 -24.2089 -24.2077 -24.2077 -6.5108 -6.5108 -6.3654 -6.3654 -6.3345 -6.3345 -6.2536 -6.2536 1.1493 1.1493 1.1987 1.1987 1.2161 1.2161 2.0428 2.0428 2.2799 2.2799 2.3212 2.3212 2.4806 2.4806 2.4988 2.4988 2.6772 2.6772 2.9057 2.9057 3.0138 3.0138 3.0408 3.0408 3.9141 3.9141 4.0514 4.0514 4.1447 4.1447 4.2103 4.2103 4.2363 4.2363 4.3138 4.3138 4.3606 4.3606 4.5295 4.5295 4.6421 4.6421 4.6730 4.6730 4.7503 4.7503 4.8571 4.8571 5.8679 5.8679 5.9118 5.9118 6.1938 6.1938 8.2767 8.2767 8.4711 8.4711 9.0842 9.0842 9.2842 9.2842 9.2969 9.2969 10.7648 10.7648 10.7706 10.7706 k = 0.5000 0.5000 0.2759 ( 6300 PWs) bands (ev): -48.6006 -48.6006 -26.2759 -26.2759 -24.2089 -24.2089 -24.2078 -24.2078 -6.5022 -6.5022 -6.3649 -6.3649 -6.3341 -6.3341 -6.2591 -6.2591 1.1475 1.1475 1.1913 1.1913 1.2083 1.2083 2.0197 2.0197 2.2873 2.2873 2.3231 2.3231 2.4890 2.4890 2.5080 2.5080 2.6691 2.6691 2.9196 2.9196 3.0123 3.0123 3.0383 3.0383 3.9229 3.9229 4.0510 4.0510 4.1507 4.1507 4.2073 4.2073 4.2365 4.2365 4.3137 4.3137 4.3645 4.3645 4.5153 4.5153 4.6273 4.6273 4.6635 4.6635 4.7400 4.7400 4.8428 4.8428 5.9100 5.9100 5.9524 5.9524 6.2030 6.2030 8.2818 8.2818 8.4659 8.4659 9.1153 9.1153 9.2843 9.2843 9.2972 9.2972 10.7284 10.7284 10.7347 10.7347 k = 0.5000 0.5000 0.2931 ( 6292 PWs) bands (ev): -48.6006 -48.6006 -26.2760 -26.2760 -24.2089 -24.2089 -24.2079 -24.2079 -6.4934 -6.4934 -6.3645 -6.3645 -6.3337 -6.3337 -6.2649 -6.2649 1.1451 1.1451 1.1842 1.1842 1.2007 1.2007 1.9979 1.9979 2.2948 2.2948 2.3257 2.3257 2.4975 2.4975 2.5174 2.5174 2.6610 2.6610 2.9323 2.9323 3.0106 3.0106 3.0355 3.0355 3.9304 3.9304 4.0528 4.0528 4.1566 4.1566 4.2039 4.2039 4.2376 4.2376 4.3132 4.3132 4.3688 4.3688 4.5019 4.5019 4.6120 4.6120 4.6548 4.6548 4.7298 4.7298 4.8268 4.8268 5.9517 5.9517 5.9925 5.9925 6.2121 6.2121 8.2893 8.2893 8.4609 8.4609 9.1431 9.1431 9.2829 9.2829 9.2958 9.2958 10.6947 10.6947 10.7014 10.7014 k = 0.5000 0.5000 0.3103 ( 6284 PWs) bands (ev): -48.6005 -48.6005 -26.2760 -26.2760 -24.2089 -24.2089 -24.2081 -24.2081 -6.4843 -6.4843 -6.3641 -6.3641 -6.3334 -6.3334 -6.2710 -6.2710 1.1423 1.1423 1.1777 1.1777 1.1933 1.1933 1.9774 1.9774 2.3025 2.3025 2.3289 2.3289 2.5060 2.5060 2.5266 2.5266 2.6530 2.6530 2.9437 2.9437 3.0088 3.0088 3.0324 3.0324 3.9363 3.9363 4.0569 4.0569 4.1625 4.1625 4.2002 4.2002 4.2394 4.2394 4.3120 4.3120 4.3735 4.3735 4.4894 4.4894 4.5967 4.5967 4.6470 4.6470 4.7195 4.7195 4.8093 4.8093 5.9926 5.9926 6.0316 6.0316 6.2212 6.2212 8.2990 8.2990 8.4560 8.4560 9.1671 9.1671 9.2798 9.2798 9.2925 9.2925 10.6642 10.6642 10.6708 10.6708 k = 0.5000 0.5000 0.3276 ( 6284 PWs) bands (ev): -48.6005 -48.6005 -26.2761 -26.2761 -24.2089 -24.2089 -24.2082 -24.2082 -6.4750 -6.4750 -6.3638 -6.3638 -6.3330 -6.3330 -6.2774 -6.2774 1.1390 1.1390 1.1719 1.1719 1.1862 1.1862 1.9585 1.9585 2.3102 2.3102 2.3326 2.3326 2.5145 2.5145 2.5355 2.5355 2.6453 2.6453 2.9539 2.9539 3.0070 3.0070 3.0291 3.0291 3.9404 3.9404 4.0632 4.0632 4.1681 4.1681 4.1966 4.1966 4.2416 4.2416 4.3100 4.3100 4.3786 4.3786 4.4782 4.4782 4.5816 4.5816 4.6400 4.6400 4.7092 4.7092 4.7905 4.7905 6.0321 6.0321 6.0693 6.0693 6.2299 6.2299 8.3108 8.3108 8.4512 8.4512 9.1869 9.1869 9.2752 9.2752 9.2877 9.2877 10.6369 10.6369 10.6428 10.6428 k = 0.5000 0.5000 0.3448 ( 6284 PWs) bands (ev): -48.6005 -48.6005 -26.2761 -26.2761 -24.2089 -24.2089 -24.2083 -24.2083 -6.4656 -6.4656 -6.3636 -6.3636 -6.3327 -6.3327 -6.2840 -6.2840 1.1352 1.1352 1.1668 1.1668 1.1796 1.1796 1.9411 1.9411 2.3179 2.3179 2.3367 2.3367 2.5227 2.5227 2.5440 2.5440 2.6378 2.6378 2.9629 2.9629 3.0051 3.0051 3.0257 3.0257 3.9431 3.9431 4.0715 4.0715 4.1735 4.1735 4.1933 4.1933 4.2443 4.2443 4.3072 4.3072 4.3839 4.3839 4.4684 4.4684 4.5672 4.5672 4.6337 4.6337 4.6991 4.6991 4.7707 4.7707 6.0698 6.0698 6.1049 6.1049 6.2384 6.2384 8.3242 8.3242 8.4467 8.4467 9.2023 9.2023 9.2692 9.2692 9.2813 9.2813 10.6128 10.6128 10.6166 10.6166 k = 0.5000 0.5000 0.3621 ( 6284 PWs) bands (ev): -48.6005 -48.6005 -26.2762 -26.2762 -24.2089 -24.2089 -24.2084 -24.2084 -6.4561 -6.4561 -6.3634 -6.3634 -6.3324 -6.3324 -6.2907 -6.2907 1.1313 1.1313 1.1624 1.1624 1.1734 1.1734 1.9254 1.9254 2.3254 2.3254 2.3410 2.3410 2.5306 2.5306 2.5516 2.5516 2.6310 2.6310 2.9707 2.9707 3.0032 3.0032 3.0221 3.0221 3.9445 3.9445 4.0815 4.0815 4.1784 4.1784 4.1901 4.1901 4.2472 4.2472 4.3034 4.3034 4.3893 4.3893 4.4604 4.4604 4.5537 4.5537 4.6284 4.6284 4.6891 4.6891 4.7501 4.7501 6.1052 6.1052 6.1380 6.1380 6.2466 6.2466 8.3387 8.3387 8.4425 8.4425 9.2132 9.2132 9.2622 9.2622 9.2739 9.2739 10.5913 10.5913 10.5938 10.5938 k = 0.5000 0.5000 0.3793 ( 6276 PWs) bands (ev): -48.6005 -48.6005 -26.2762 -26.2762 -24.2089 -24.2089 -24.2085 -24.2085 -6.4466 -6.4466 -6.3635 -6.3635 -6.3321 -6.3321 -6.2976 -6.2976 1.1272 1.1272 1.1586 1.1586 1.1678 1.1678 1.9114 1.9114 2.3326 2.3326 2.3454 2.3454 2.5380 2.5380 2.5582 2.5582 2.6253 2.6253 2.9774 2.9774 3.0015 3.0015 3.0184 3.0184 3.9450 3.9450 4.0924 4.0924 4.1828 4.1828 4.1873 4.1873 4.2504 4.2504 4.2988 4.2988 4.3947 4.3947 4.4541 4.4541 4.5416 4.5416 4.6242 4.6242 4.6795 4.6795 4.7292 4.7292 6.1379 6.1379 6.1680 6.1680 6.2547 6.2547 8.3539 8.3539 8.4387 8.4387 9.2199 9.2199 9.2546 9.2546 9.2656 9.2656 10.5720 10.5720 10.5761 10.5761 k = 0.5000 0.5000 0.3966 ( 6268 PWs) bands (ev): -48.6004 -48.6004 -26.2762 -26.2762 -24.2089 -24.2089 -24.2086 -24.2086 -6.4372 -6.4372 -6.3637 -6.3637 -6.3319 -6.3319 -6.3044 -6.3044 1.1234 1.1234 1.1554 1.1554 1.1628 1.1628 1.8992 1.8992 2.3395 2.3395 2.3496 2.3496 2.5448 2.5448 2.5631 2.5631 2.6209 2.6209 2.9831 2.9831 3.0000 3.0000 3.0148 3.0148 3.9449 3.9449 4.1040 4.1040 4.1846 4.1846 4.1867 4.1867 4.2537 4.2537 4.2934 4.2934 4.4001 4.4001 4.4493 4.4493 4.5312 4.5312 4.6210 4.6210 4.6701 4.6701 4.7084 4.7084 6.1672 6.1672 6.1940 6.1940 6.2629 6.2629 8.3691 8.3691 8.4352 8.4352 9.2229 9.2229 9.2469 9.2469 9.2571 9.2571 10.5568 10.5568 10.5620 10.5620 k = 0.5000 0.5000 0.4138 ( 6260 PWs) bands (ev): -48.6004 -48.6004 -26.2763 -26.2763 -24.2089 -24.2089 -24.2087 -24.2087 -6.4279 -6.4279 -6.3642 -6.3642 -6.3316 -6.3316 -6.3111 -6.3111 1.1198 1.1198 1.1528 1.1528 1.1585 1.1585 1.8887 1.8887 2.3457 2.3457 2.3535 2.3535 2.5508 2.5508 2.5662 2.5662 2.6182 2.6182 2.9876 2.9876 2.9988 2.9988 3.0114 3.0114 3.9445 3.9445 4.1156 4.1156 4.1820 4.1820 4.1899 4.1899 4.2571 4.2571 4.2876 4.2876 4.4053 4.4053 4.4458 4.4458 4.5230 4.5230 4.6189 4.6189 4.6613 4.6613 4.6881 4.6881 6.1930 6.1930 6.2155 6.2155 6.2713 6.2713 8.3836 8.3836 8.4322 8.4322 9.2229 9.2229 9.2394 9.2394 9.2487 9.2487 10.5456 10.5456 10.5507 10.5507 k = 0.5000 0.5000 0.4310 ( 6240 PWs) bands (ev): -48.6003 -48.6003 -26.2763 -26.2763 -24.2089 -24.2089 -24.2088 -24.2088 -6.4190 -6.4190 -6.3652 -6.3652 -6.3315 -6.3315 -6.3174 -6.3174 1.1167 1.1167 1.1507 1.1507 1.1549 1.1549 1.8801 1.8801 2.3513 2.3513 2.3569 2.3569 2.5560 2.5560 2.5675 2.5675 2.6172 2.6172 2.9911 2.9911 2.9981 2.9981 3.0082 3.0082 3.9440 3.9440 4.1270 4.1270 4.1793 4.1793 4.1925 4.1925 4.2604 4.2604 4.2817 4.2817 4.4102 4.4102 4.4429 4.4429 4.5173 4.5173 4.6180 4.6180 4.6530 4.6530 4.6693 4.6693 6.2146 6.2146 6.2317 6.2317 6.2803 6.2803 8.3969 8.3969 8.4297 8.4297 9.2209 9.2209 9.2328 9.2328 9.2408 9.2408 10.5379 10.5379 10.5420 10.5420 k = 0.5000 0.5000 0.4483 ( 6244 PWs) bands (ev): -48.6003 -48.6003 -26.2763 -26.2763 -24.2089 -24.2089 -24.2088 -24.2088 -6.4107 -6.4107 -6.3667 -6.3667 -6.3313 -6.3313 -6.3229 -6.3229 1.1142 1.1142 1.1491 1.1491 1.1519 1.1519 1.8734 1.8734 2.3558 2.3558 2.3597 2.3597 2.5601 2.5601 2.5674 2.5674 2.6173 2.6173 2.9933 2.9933 2.9982 2.9982 3.0053 3.0053 3.9435 3.9435 4.1376 4.1376 4.1763 4.1763 4.1945 4.1945 4.2633 4.2633 4.2762 4.2762 4.4149 4.4149 4.4399 4.4399 4.5143 4.5143 4.6184 4.6184 4.6453 4.6453 4.6524 4.6524 6.2318 6.2318 6.2428 6.2428 6.2891 6.2891 8.4082 8.4082 8.4277 8.4277 9.2179 9.2179 9.2275 9.2275 9.2339 9.2339 10.5328 10.5328 10.5355 10.5355 k = 0.5000 0.5000 0.4655 ( 6260 PWs) bands (ev): -48.6004 -48.6004 -26.2763 -26.2763 -24.2089 -24.2089 -24.2088 -24.2088 -6.4033 -6.4033 -6.3687 -6.3687 -6.3312 -6.3312 -6.3273 -6.3273 1.1124 1.1124 1.1481 1.1481 1.1498 1.1498 1.8686 1.8686 2.3593 2.3593 2.3617 2.3617 2.5630 2.5630 2.5666 2.5666 2.6180 2.6180 2.9943 2.9943 2.9989 2.9989 3.0029 3.0029 3.9430 3.9430 4.1473 4.1473 4.1728 4.1728 4.1958 4.1958 4.2656 4.2656 4.2716 4.2716 4.4195 4.4195 4.4365 4.4365 4.5135 4.5135 4.6199 4.6199 4.6384 4.6384 4.6388 4.6388 6.2443 6.2443 6.2496 6.2496 6.2967 6.2967 8.4168 8.4168 8.4262 8.4262 9.2151 9.2151 9.2237 9.2237 9.2282 9.2282 10.5296 10.5296 10.5311 10.5311 k = 0.5000 0.5000 0.4828 ( 6272 PWs) bands (ev): -48.6005 -48.6005 -26.2763 -26.2763 -24.2089 -24.2089 -24.2089 -24.2089 -6.3978 -6.3978 -6.3708 -6.3708 -6.3312 -6.3312 -6.3302 -6.3302 1.1112 1.1112 1.1475 1.1475 1.1483 1.1483 1.8657 1.8657 2.3616 2.3616 2.3627 2.3627 2.5649 2.5649 2.5659 2.5659 2.6187 2.6187 2.9948 2.9948 2.9997 2.9997 3.0012 3.0012 3.9427 3.9427 4.1556 4.1556 4.1683 4.1683 4.1966 4.1966 4.2670 4.2670 4.2686 4.2686 4.4239 4.4239 4.4326 4.4326 4.5139 4.5139 4.6225 4.6225 4.6296 4.6296 4.6326 4.6326 6.2519 6.2519 6.2533 6.2533 6.3018 6.3018 8.4222 8.4222 8.4253 8.4253 9.2131 9.2131 9.2218 9.2218 9.2241 9.2241 10.5279 10.5279 10.5285 10.5285 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -48.6005 -48.6005 -26.2763 -26.2763 -24.2089 -24.2089 -24.2089 -24.2089 -6.3956 -6.3956 -6.3719 -6.3719 -6.3311 -6.3311 -6.3311 -6.3311 1.1109 1.1109 1.1476 1.1476 1.1476 1.1476 1.8647 1.8647 2.3628 2.3628 2.3628 2.3628 2.5655 2.5655 2.5655 2.5655 2.6189 2.6189 2.9949 2.9949 3.0003 3.0003 3.0003 3.0003 3.9426 3.9426 4.1626 4.1626 4.1626 4.1626 4.1968 4.1968 4.2675 4.2675 4.2675 4.2675 4.4283 4.4283 4.4283 4.4283 4.5143 4.5143 4.6255 4.6255 4.6255 4.6255 4.6294 4.6294 6.2545 6.2545 6.2545 6.2545 6.3036 6.3036 8.4245 8.4245 8.4245 8.4245 9.2123 9.2123 9.2219 9.2219 9.2219 9.2219 10.5275 10.5275 10.5275 10.5275 Writing output data file NbCu3S4.save init_run : 4.43s CPU 14.68s WALL ( 1 calls) electrons : 1322.36s CPU 1334.27s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.53s CPU 1.35s WALL ( 1 calls) Called by electrons: c_bands : 1322.32s CPU 1333.87s WALL ( 1 calls) v_of_rho : 0.33s CPU 0.91s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.32s CPU 0.57s WALL ( 1 calls) newd : 0.88s CPU 0.96s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.18s WALL ( 225 calls) cegterg : 1258.35s CPU 1267.75s WALL ( 599 calls) Called by sum_band: Called by *egterg: h_psi : 407.83s CPU 415.26s WALL ( 10596 calls) s_psi : 83.27s CPU 83.68s WALL ( 10596 calls) g_psi : 1.17s CPU 1.12s WALL ( 9772 calls) cdiaghg : 587.57s CPU 586.30s WALL ( 9997 calls) cegterg:over : 107.86s CPU 105.18s WALL ( 9772 calls) cegterg:upda : 33.93s CPU 36.16s WALL ( 9772 calls) cegterg:last : 24.29s CPU 24.64s WALL ( 1329 calls) Called by h_psi: h_psi:vloc : 255.77s CPU 260.82s WALL ( 10596 calls) h_psi:vnl : 151.44s CPU 153.27s WALL ( 10596 calls) add_vuspsi : 62.42s CPU 65.90s WALL ( 10596 calls) General routines calbec : 88.98s CPU 87.24s WALL ( 10596 calls) fft : 0.53s CPU 1.41s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 242.14s CPU 245.37s WALL ( 1350724 calls) interpolate : 0.07s CPU 0.08s WALL ( 4 calls) davcio : 0.02s CPU 1.70s WALL ( 450 calls) Parallel routines fft_scatter : 163.95s CPU 164.65s WALL ( 1350747 calls) PWSCF : 23m13.16s CPU 25m36.39s WALL This run was terminated on: 9:58:59 1Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=