Program PWSCF v.5.1.1 starts on 1Nov2015 at 11:31:35 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 48 34 10 1726 1044 164 Max 49 35 11 1730 1065 167 Sum 2305 1649 481 82951 50541 7881 bravais-lattice index = 14 lattice parameter (alat) = 10.3973 a.u. unit-cell volume = 1123.9792 (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)= 10.397272 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: 82951 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 ( 284, 84) NL pseudopotentials 0.59 Mb ( 142, 272) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1730) G-vector shells 0.00 Mb ( 418) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.46 Mb ( 284, 336) Each subspace H/S matrix 1.72 Mb ( 336, 336) Each matrix 0.70 Mb ( 272, 2, 84) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./NbCu3S4.save/charge-density.dat Starting wfc are 112 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 48.4 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 58.8 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 69.2 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 82.5 secs Computing kpt #: 5 total cpu time spent up to now is 91.0 secs Computing kpt #: 6 total cpu time spent up to now is 100.8 secs Computing kpt #: 7 total cpu time spent up to now is 108.2 secs Computing kpt #: 8 total cpu time spent up to now is 117.0 secs Computing kpt #: 9 total cpu time spent up to now is 122.9 secs Computing kpt #: 10 total cpu time spent up to now is 128.8 secs Computing kpt #: 11 total cpu time spent up to now is 137.3 secs Computing kpt #: 12 total cpu time spent up to now is 143.0 secs Computing kpt #: 13 total cpu time spent up to now is 148.4 secs Computing kpt #: 14 total cpu time spent up to now is 156.6 secs Computing kpt #: 15 total cpu time spent up to now is 163.3 secs Computing kpt #: 16 total cpu time spent up to now is 168.5 secs Computing kpt #: 17 total cpu time spent up to now is 176.5 secs Computing kpt #: 18 total cpu time spent up to now is 181.7 secs Computing kpt #: 19 total cpu time spent up to now is 186.8 secs Computing kpt #: 20 total cpu time spent up to now is 193.6 secs Computing kpt #: 21 total cpu time spent up to now is 200.1 secs Computing kpt #: 22 total cpu time spent up to now is 205.4 secs Computing kpt #: 23 total cpu time spent up to now is 210.7 secs Computing kpt #: 24 total cpu time spent up to now is 218.8 secs Computing kpt #: 25 total cpu time spent up to now is 223.9 secs Computing kpt #: 26 total cpu time spent up to now is 229.0 secs Computing kpt #: 27 total cpu time spent up to now is 234.1 secs Computing kpt #: 28 total cpu time spent up to now is 242.0 secs Computing kpt #: 29 total cpu time spent up to now is 247.0 secs Computing kpt #: 30 total cpu time spent up to now is 251.9 secs Computing kpt #: 31 total cpu time spent up to now is 259.9 secs Computing kpt #: 32 total cpu time spent up to now is 265.0 secs Computing kpt #: 33 total cpu time spent up to now is 270.2 secs Computing kpt #: 34 total cpu time spent up to now is 275.4 secs Computing kpt #: 35 total cpu time spent up to now is 283.5 secs Computing kpt #: 36 total cpu time spent up to now is 288.9 secs Computing kpt #: 37 total cpu time spent up to now is 294.3 secs Computing kpt #: 38 total cpu time spent up to now is 302.0 secs Computing kpt #: 39 total cpu time spent up to now is 307.6 secs Computing kpt #: 40 total cpu time spent up to now is 312.9 secs Computing kpt #: 41 total cpu time spent up to now is 319.9 secs Computing kpt #: 42 total cpu time spent up to now is 326.1 secs Computing kpt #: 43 total cpu time spent up to now is 331.2 secs Computing kpt #: 44 total cpu time spent up to now is 336.3 secs Computing kpt #: 45 total cpu time spent up to now is 344.2 secs Computing kpt #: 46 total cpu time spent up to now is 349.1 secs Computing kpt #: 47 total cpu time spent up to now is 354.6 secs Computing kpt #: 48 total cpu time spent up to now is 360.1 secs Computing kpt #: 49 total cpu time spent up to now is 365.5 secs Computing kpt #: 50 total cpu time spent up to now is 371.9 secs Computing kpt #: 51 total cpu time spent up to now is 376.6 secs Computing kpt #: 52 total cpu time spent up to now is 381.2 secs Computing kpt #: 53 total cpu time spent up to now is 386.0 secs Computing kpt #: 54 total cpu time spent up to now is 390.5 secs Computing kpt #: 55 total cpu time spent up to now is 395.1 secs Computing kpt #: 56 total cpu time spent up to now is 399.7 secs Computing kpt #: 57 total cpu time spent up to now is 404.4 secs Computing kpt #: 58 total cpu time spent up to now is 409.2 secs Computing kpt #: 59 total cpu time spent up to now is 414.2 secs Computing kpt #: 60 total cpu time spent up to now is 418.8 secs Computing kpt #: 61 total cpu time spent up to now is 423.4 secs Computing kpt #: 62 total cpu time spent up to now is 428.3 secs Computing kpt #: 63 total cpu time spent up to now is 433.2 secs Computing kpt #: 64 total cpu time spent up to now is 437.9 secs Computing kpt #: 65 total cpu time spent up to now is 442.5 secs Computing kpt #: 66 total cpu time spent up to now is 447.1 secs Computing kpt #: 67 total cpu time spent up to now is 451.6 secs Computing kpt #: 68 total cpu time spent up to now is 457.0 secs Computing kpt #: 69 total cpu time spent up to now is 461.8 secs Computing kpt #: 70 total cpu time spent up to now is 466.4 secs Computing kpt #: 71 total cpu time spent up to now is 471.1 secs Computing kpt #: 72 total cpu time spent up to now is 475.7 secs Computing kpt #: 73 total cpu time spent up to now is 480.5 secs Computing kpt #: 74 total cpu time spent up to now is 485.3 secs Computing kpt #: 75 total cpu time spent up to now is 490.2 secs Computing kpt #: 76 total cpu time spent up to now is 495.3 secs Computing kpt #: 77 total cpu time spent up to now is 500.5 secs Computing kpt #: 78 total cpu time spent up to now is 506.5 secs Computing kpt #: 79 total cpu time spent up to now is 512.6 secs Computing kpt #: 80 total cpu time spent up to now is 518.6 secs Computing kpt #: 81 total cpu time spent up to now is 526.8 secs Computing kpt #: 82 total cpu time spent up to now is 532.9 secs Computing kpt #: 83 total cpu time spent up to now is 539.1 secs Computing kpt #: 84 total cpu time spent up to now is 545.3 secs Computing kpt #: 85 total cpu time spent up to now is 558.1 secs Computing kpt #: 86 total cpu time spent up to now is 564.7 secs Computing kpt #: 87 total cpu time spent up to now is 569.9 secs Computing kpt #: 88 total cpu time spent up to now is 579.9 secs Computing kpt #: 89 total cpu time spent up to now is 587.3 secs Computing kpt #: 90 total cpu time spent up to now is 593.3 secs Computing kpt #: 91 total cpu time spent up to now is 602.1 secs Computing kpt #: 92 total cpu time spent up to now is 610.6 secs Computing kpt #: 93 total cpu time spent up to now is 619.1 secs Computing kpt #: 94 total cpu time spent up to now is 627.9 secs Computing kpt #: 95 total cpu time spent up to now is 637.1 secs Computing kpt #: 96 total cpu time spent up to now is 645.9 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 656.7 secs Computing kpt #: 98 total cpu time spent up to now is 666.6 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 677.5 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 688.4 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 699.1 secs Computing kpt #: 102 total cpu time spent up to now is 704.3 secs Computing kpt #: 103 total cpu time spent up to now is 709.2 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 719.7 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 730.3 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 740.9 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 751.3 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 763.8 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 774.4 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 784.9 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 795.5 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 806.1 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 816.6 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 827.2 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 837.7 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 848.5 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 859.0 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 869.6 secs Computing kpt #: 119 total cpu time spent up to now is 875.3 secs Computing kpt #: 120 total cpu time spent up to now is 881.5 secs Computing kpt #: 121 total cpu time spent up to now is 887.6 secs Computing kpt #: 122 total cpu time spent up to now is 893.2 secs Computing kpt #: 123 total cpu time spent up to now is 898.8 secs Computing kpt #: 124 total cpu time spent up to now is 904.3 secs Computing kpt #: 125 total cpu time spent up to now is 909.7 secs Computing kpt #: 126 total cpu time spent up to now is 915.1 secs Computing kpt #: 127 total cpu time spent up to now is 920.4 secs Computing kpt #: 128 total cpu time spent up to now is 925.6 secs Computing kpt #: 129 total cpu time spent up to now is 930.8 secs Computing kpt #: 130 total cpu time spent up to now is 936.1 secs Computing kpt #: 131 total cpu time spent up to now is 941.3 secs Computing kpt #: 132 total cpu time spent up to now is 946.5 secs Computing kpt #: 133 total cpu time spent up to now is 951.6 secs Computing kpt #: 134 total cpu time spent up to now is 956.8 secs Computing kpt #: 135 total cpu time spent up to now is 962.0 secs Computing kpt #: 136 total cpu time spent up to now is 967.1 secs Computing kpt #: 137 total cpu time spent up to now is 972.2 secs Computing kpt #: 138 total cpu time spent up to now is 977.3 secs Computing kpt #: 139 total cpu time spent up to now is 982.4 secs Computing kpt #: 140 total cpu time spent up to now is 987.5 secs Computing kpt #: 141 total cpu time spent up to now is 992.6 secs Computing kpt #: 142 total cpu time spent up to now is 997.7 secs Computing kpt #: 143 total cpu time spent up to now is 1003.0 secs Computing kpt #: 144 total cpu time spent up to now is 1008.1 secs Computing kpt #: 145 total cpu time spent up to now is 1013.1 secs Computing kpt #: 146 total cpu time spent up to now is 1018.1 secs Computing kpt #: 147 total cpu time spent up to now is 1023.0 secs Computing kpt #: 148 total cpu time spent up to now is 1027.9 secs Computing kpt #: 149 total cpu time spent up to now is 1032.8 secs Computing kpt #: 150 total cpu time spent up to now is 1037.8 secs Computing kpt #: 151 total cpu time spent up to now is 1042.7 secs Computing kpt #: 152 total cpu time spent up to now is 1047.5 secs Computing kpt #: 153 total cpu time spent up to now is 1052.2 secs Computing kpt #: 154 total cpu time spent up to now is 1058.3 secs Computing kpt #: 155 total cpu time spent up to now is 1063.7 secs Computing kpt #: 156 total cpu time spent up to now is 1068.5 secs Computing kpt #: 157 total cpu time spent up to now is 1073.4 secs Computing kpt #: 158 total cpu time spent up to now is 1078.4 secs Computing kpt #: 159 total cpu time spent up to now is 1083.2 secs Computing kpt #: 160 total cpu time spent up to now is 1088.2 secs Computing kpt #: 161 total cpu time spent up to now is 1093.0 secs Computing kpt #: 162 total cpu time spent up to now is 1097.7 secs Computing kpt #: 163 total cpu time spent up to now is 1102.5 secs Computing kpt #: 164 total cpu time spent up to now is 1107.2 secs Computing kpt #: 165 total cpu time spent up to now is 1111.8 secs Computing kpt #: 166 total cpu time spent up to now is 1116.5 secs Computing kpt #: 167 total cpu time spent up to now is 1121.2 secs Computing kpt #: 168 total cpu time spent up to now is 1125.9 secs Computing kpt #: 169 total cpu time spent up to now is 1130.5 secs Computing kpt #: 170 total cpu time spent up to now is 1135.2 secs Computing kpt #: 171 total cpu time spent up to now is 1139.8 secs Computing kpt #: 172 total cpu time spent up to now is 1144.4 secs Computing kpt #: 173 total cpu time spent up to now is 1149.0 secs Computing kpt #: 174 total cpu time spent up to now is 1153.7 secs Computing kpt #: 175 total cpu time spent up to now is 1158.3 secs Computing kpt #: 176 total cpu time spent up to now is 1162.9 secs Computing kpt #: 177 total cpu time spent up to now is 1167.6 secs Computing kpt #: 178 total cpu time spent up to now is 1172.2 secs Computing kpt #: 179 total cpu time spent up to now is 1177.1 secs Computing kpt #: 180 total cpu time spent up to now is 1181.9 secs Computing kpt #: 181 total cpu time spent up to now is 1186.8 secs Computing kpt #: 182 total cpu time spent up to now is 1191.7 secs Computing kpt #: 183 total cpu time spent up to now is 1196.8 secs Computing kpt #: 184 total cpu time spent up to now is 1202.2 secs Computing kpt #: 185 total cpu time spent up to now is 1207.6 secs Computing kpt #: 186 total cpu time spent up to now is 1212.9 secs Computing kpt #: 187 total cpu time spent up to now is 1218.4 secs Computing kpt #: 188 total cpu time spent up to now is 1223.7 secs Computing kpt #: 189 total cpu time spent up to now is 1229.0 secs Computing kpt #: 190 total cpu time spent up to now is 1234.2 secs Computing kpt #: 191 total cpu time spent up to now is 1239.6 secs Computing kpt #: 192 total cpu time spent up to now is 1244.7 secs Computing kpt #: 193 total cpu time spent up to now is 1249.9 secs Computing kpt #: 194 total cpu time spent up to now is 1255.1 secs Computing kpt #: 195 total cpu time spent up to now is 1260.1 secs Computing kpt #: 196 total cpu time spent up to now is 1264.8 secs Computing kpt #: 197 total cpu time spent up to now is 1269.4 secs Computing kpt #: 198 total cpu time spent up to now is 1273.9 secs Computing kpt #: 199 total cpu time spent up to now is 1278.5 secs Computing kpt #: 200 total cpu time spent up to now is 1283.0 secs Computing kpt #: 201 total cpu time spent up to now is 1287.6 secs Computing kpt #: 202 total cpu time spent up to now is 1292.1 secs Computing kpt #: 203 total cpu time spent up to now is 1296.9 secs Computing kpt #: 204 total cpu time spent up to now is 1301.5 secs Computing kpt #: 205 total cpu time spent up to now is 1306.0 secs Computing kpt #: 206 total cpu time spent up to now is 1310.5 secs Computing kpt #: 207 total cpu time spent up to now is 1315.3 secs Computing kpt #: 208 total cpu time spent up to now is 1319.9 secs Computing kpt #: 209 total cpu time spent up to now is 1324.6 secs Computing kpt #: 210 total cpu time spent up to now is 1329.3 secs Computing kpt #: 211 total cpu time spent up to now is 1334.1 secs Computing kpt #: 212 total cpu time spent up to now is 1339.0 secs Computing kpt #: 213 total cpu time spent up to now is 1343.8 secs Computing kpt #: 214 total cpu time spent up to now is 1348.8 secs Computing kpt #: 215 total cpu time spent up to now is 1354.0 secs Computing kpt #: 216 total cpu time spent up to now is 1360.6 secs Computing kpt #: 217 total cpu time spent up to now is 1365.6 secs Computing kpt #: 218 total cpu time spent up to now is 1370.4 secs Computing kpt #: 219 total cpu time spent up to now is 1375.3 secs Computing kpt #: 220 total cpu time spent up to now is 1380.3 secs Computing kpt #: 221 total cpu time spent up to now is 1385.2 secs Computing kpt #: 222 total cpu time spent up to now is 1390.1 secs Computing kpt #: 223 total cpu time spent up to now is 1394.8 secs Computing kpt #: 224 total cpu time spent up to now is 1399.6 secs Computing kpt #: 225 total cpu time spent up to now is 1404.3 secs ethr = 1.43E-11, avg # of iterations = 42.7 total cpu time spent up to now is 1404.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -48.6173 -48.6173 -26.2888 -26.2888 -24.2199 -24.2199 -24.2199 -24.2199 -7.1682 -7.1682 -6.1414 -6.1414 -6.1028 -6.1028 -6.1028 -6.1028 0.4960 0.4960 0.4960 0.4960 1.5932 1.5932 2.1382 2.1382 2.1382 2.1382 2.1663 2.1663 2.8346 2.8346 2.8732 2.8732 2.8732 2.8732 3.4647 3.4647 3.4892 3.4892 3.4892 3.4892 3.5406 3.5406 3.5406 3.5406 4.2107 4.2107 4.3218 4.3218 4.3218 4.3218 4.4124 4.4124 4.4124 4.4124 4.4719 4.4719 4.8174 4.8174 4.9359 4.9359 4.9359 4.9359 5.0239 5.0239 5.8801 5.8801 5.8801 5.8801 5.9693 5.9693 8.3617 8.3617 8.3617 8.3617 8.3746 8.3746 8.4341 8.4341 8.4341 8.4341 8.4764 8.4764 12.1110 12.1110 k = 0.0000 0.0172-0.0000 ( 6355 PWs) bands (ev): -48.6173 -48.6173 -26.2888 -26.2888 -24.2199 -24.2199 -24.2199 -24.2199 -7.1676 -7.1676 -6.1417 -6.1417 -6.1033 -6.1033 -6.1028 -6.1028 0.4966 0.4966 0.4973 0.4973 1.5939 1.5939 2.1372 2.1372 2.1388 2.1388 2.1661 2.1661 2.8340 2.8340 2.8719 2.8719 2.8732 2.8732 3.4620 3.4620 3.4836 3.4836 3.4894 3.4894 3.5402 3.5402 3.5492 3.5492 4.2101 4.2101 4.3139 4.3139 4.3292 4.3292 4.4071 4.4071 4.4176 4.4176 4.4717 4.4717 4.8175 4.8175 4.9325 4.9325 4.9388 4.9388 5.0237 5.0237 5.8780 5.8780 5.8801 5.8801 5.9682 5.9682 8.3536 8.3536 8.3639 8.3639 8.3750 8.3750 8.4239 8.4239 8.4359 8.4359 8.4983 8.4983 12.1085 12.1086 k = 0.0000 0.0345-0.0000 ( 6331 PWs) bands (ev): -48.6172 -48.6172 -26.2888 -26.2888 -24.2199 -24.2199 -24.2199 -24.2199 -7.1657 -7.1657 -6.1424 -6.1424 -6.1047 -6.1047 -6.1028 -6.1028 0.4984 0.4984 0.5011 0.5011 1.5959 1.5959 2.1349 2.1349 2.1400 2.1400 2.1659 2.1659 2.8319 2.8319 2.8686 2.8686 2.8725 2.8725 3.4510 3.4510 3.4770 3.4770 3.4894 3.4894 3.5418 3.5418 3.5662 3.5662 4.2084 4.2084 4.3058 4.3058 4.3357 4.3357 4.4018 4.4018 4.4228 4.4228 4.4711 4.4711 4.8176 4.8176 4.9286 4.9286 4.9416 4.9416 5.0234 5.0234 5.8723 5.8723 5.8794 5.8794 5.9651 5.9651 8.3335 8.3335 8.3669 8.3669 8.3778 8.3778 8.4178 8.4178 8.4395 8.4395 8.5398 8.5398 12.1015 12.1015 k = 0.0000 0.0517-0.0000 ( 6331 PWs) bands (ev): -48.6172 -48.6172 -26.2888 -26.2888 -24.2199 -24.2199 -24.2199 -24.2199 -7.1626 -7.1626 -6.1439 -6.1439 -6.1070 -6.1070 -6.1028 -6.1028 0.5015 0.5015 0.5075 0.5075 1.5992 1.5992 2.1305 2.1305 2.1418 2.1418 2.1660 2.1660 2.8280 2.8280 2.8636 2.8636 2.8713 2.8713 3.4324 3.4324 3.4745 3.4745 3.4896 3.4896 3.5444 3.5444 3.5863 3.5863 4.2054 4.2054 4.2978 4.2978 4.3408 4.3408 4.3965 4.3965 4.4280 4.4280 4.4703 4.4703 4.8178 4.8178 4.9239 4.9239 4.9444 4.9444 5.0228 5.0228 5.8627 5.8627 5.8781 5.8781 5.9602 5.9602 8.3067 8.3067 8.3713 8.3713 8.3832 8.3832 8.4202 8.4202 8.4453 8.4453 8.5888 8.5888 12.0900 12.0900 k = 0.0000 0.0690-0.0000 ( 6327 PWs) bands (ev): -48.6172 -48.6172 -26.2888 -26.2888 -24.2200 -24.2200 -24.2199 -24.2199 -7.1583 -7.1583 -6.1461 -6.1461 -6.1097 -6.1097 -6.1029 -6.1029 0.5057 0.5057 0.5164 0.5164 1.6038 1.6038 2.1236 2.1236 2.1443 2.1443 2.1669 2.1669 2.8216 2.8216 2.8578 2.8578 2.8697 2.8697 3.4104 3.4104 3.4736 3.4736 3.4898 3.4898 3.5479 3.5479 3.6077 3.6077 4.2012 4.2012 4.2901 4.2901 4.3438 4.3438 4.3916 4.3916 4.4330 4.4330 4.4695 4.4695 4.8177 4.8177 4.9185 4.9185 4.9473 4.9473 5.0220 5.0220 5.8489 5.8489 5.8764 5.8764 5.9542 5.9542 8.2785 8.2785 8.3771 8.3771 8.3910 8.3910 8.4276 8.4276 8.4535 8.4535 8.6432 8.6432 12.0744 12.0744 k = 0.0000 0.0862-0.0000 ( 6323 PWs) bands (ev): -48.6172 -48.6172 -26.2888 -26.2888 -24.2200 -24.2200 -24.2199 -24.2199 -7.1528 -7.1528 -6.1495 -6.1495 -6.1128 -6.1128 -6.1029 -6.1029 0.5111 0.5111 0.5277 0.5277 1.6098 1.6098 2.1140 2.1140 2.1475 2.1475 2.1688 2.1688 2.8119 2.8119 2.8519 2.8519 2.8677 2.8677 3.3866 3.3866 3.4731 3.4731 3.4901 3.4901 3.5523 3.5523 3.6297 3.6297 4.1957 4.1957 4.2831 4.2831 4.3441 4.3441 4.3879 4.3879 4.4378 4.4378 4.4690 4.4690 4.8172 4.8172 4.9123 4.9123 4.9506 4.9506 5.0210 5.0210 5.8309 5.8309 5.8742 5.8742 5.9475 5.9475 8.2509 8.2509 8.3842 8.3842 8.4011 8.4011 8.4384 8.4384 8.4638 8.4638 8.7026 8.7026 12.0552 12.0552 k = 0.0000 0.1034-0.0000 ( 6327 PWs) bands (ev): -48.6172 -48.6172 -26.2889 -26.2889 -24.2201 -24.2201 -24.2199 -24.2199 -7.1462 -7.1462 -6.1544 -6.1544 -6.1157 -6.1157 -6.1029 -6.1029 0.5176 0.5176 0.5414 0.5414 1.6171 1.6171 2.1018 2.1018 2.1512 2.1512 2.1717 2.1717 2.7988 2.7988 2.8466 2.8466 2.8652 2.8652 3.3615 3.3615 3.4728 3.4728 3.4904 3.4904 3.5574 3.5574 3.6522 3.6522 4.1888 4.1888 4.2767 4.2767 4.3411 4.3411 4.3857 4.3857 4.4419 4.4419 4.4694 4.4694 4.8161 4.8161 4.9052 4.9052 4.9544 4.9544 5.0199 5.0199 5.8089 5.8089 5.8716 5.8716 5.9405 5.9405 8.2244 8.2244 8.3922 8.3922 8.4133 8.4133 8.4518 8.4518 8.4763 8.4763 8.7664 8.7664 12.0328 12.0328 k = 0.0000 0.1207-0.0000 ( 6331 PWs) bands (ev): -48.6172 -48.6172 -26.2889 -26.2889 -24.2202 -24.2202 -24.2199 -24.2199 -7.1383 -7.1383 -6.1610 -6.1610 -6.1182 -6.1182 -6.1029 -6.1029 0.5252 0.5252 0.5576 0.5576 1.6257 1.6257 2.0873 2.0873 2.1556 2.1556 2.1753 2.1753 2.7823 2.7823 2.8418 2.8418 2.8623 2.8623 3.3351 3.3351 3.4726 3.4726 3.4908 3.4908 3.5630 3.5630 3.6751 3.6751 4.1808 4.1808 4.2712 4.2712 4.3351 4.3351 4.3849 4.3849 4.4449 4.4449 4.4709 4.4709 4.8141 4.8141 4.8975 4.8975 4.9587 4.9587 5.0187 5.0187 5.7835 5.7835 5.8687 5.8687 5.9334 5.9334 8.1991 8.1991 8.4011 8.4011 8.4273 8.4273 8.4674 8.4674 8.4908 8.4908 8.8345 8.8345 12.0080 12.0080 k = 0.0000 0.1379-0.0000 ( 6339 PWs) bands (ev): -48.6172 -48.6172 -26.2889 -26.2889 -24.2203 -24.2203 -24.2199 -24.2199 -7.1294 -7.1294 -6.1694 -6.1694 -6.1202 -6.1202 -6.1030 -6.1030 0.5338 0.5338 0.5760 0.5760 1.6356 1.6356 2.0706 2.0706 2.1606 2.1606 2.1797 2.1797 2.7630 2.7630 2.8373 2.8373 2.8591 2.8591 3.3074 3.3074 3.4725 3.4725 3.4914 3.4914 3.5691 3.5691 3.6984 3.6984 4.1717 4.1717 4.2663 4.2663 4.3267 4.3267 4.3850 4.3850 4.4466 4.4466 4.4738 4.4738 4.8112 4.8112 4.8891 4.8891 4.9635 4.9635 5.0175 5.0175 5.7550 5.7550 5.8656 5.8656 5.9263 5.9263 8.1752 8.1752 8.4107 8.4107 8.4429 8.4429 8.4849 8.4849 8.5071 8.5071 8.9065 8.9065 11.9813 11.9813 k = 0.0000 0.1552-0.0000 ( 6335 PWs) bands (ev): -48.6172 -48.6172 -26.2890 -26.2890 -24.2204 -24.2204 -24.2199 -24.2199 -7.1193 -7.1193 -6.1796 -6.1796 -6.1218 -6.1218 -6.1030 -6.1030 0.5434 0.5434 0.5967 0.5967 1.6468 1.6468 2.0520 2.0520 2.1661 2.1661 2.1847 2.1847 2.7414 2.7414 2.8330 2.8330 2.8555 2.8555 3.2784 3.2784 3.4724 3.4724 3.4920 3.4920 3.5756 3.5756 3.7220 3.7220 4.1620 4.1620 4.2619 4.2619 4.3168 4.3168 4.3854 4.3854 4.4470 4.4470 4.4777 4.4777 4.8074 4.8074 4.8802 4.8802 4.9688 4.9688 5.0164 5.0164 5.7240 5.7240 5.8622 5.8622 5.9192 5.9192 8.1524 8.1524 8.4207 8.4207 8.4598 8.4598 8.5040 8.5040 8.5250 8.5250 8.9821 8.9821 11.9534 11.9534 k = 0.0000 0.1724-0.0000 ( 6327 PWs) bands (ev): -48.6172 -48.6172 -26.2890 -26.2890 -24.2206 -24.2206 -24.2199 -24.2199 -7.1082 -7.1082 -6.1913 -6.1913 -6.1229 -6.1229 -6.1031 -6.1031 0.5539 0.5539 0.6196 0.6196 1.6592 1.6592 2.0316 2.0316 2.1721 2.1721 2.1903 2.1903 2.7179 2.7179 2.8287 2.8287 2.8517 2.8517 3.2480 3.2480 3.4723 3.4723 3.4927 3.4927 3.5823 3.5823 3.7460 3.7460 4.1517 4.1517 4.2580 4.2580 4.3059 4.3059 4.3857 4.3857 4.4468 4.4468 4.4820 4.4820 4.8028 4.8028 4.8710 4.8710 4.9744 4.9744 5.0155 5.0155 5.6913 5.6913 5.8588 5.8588 5.9122 5.9122 8.1308 8.1308 8.4311 8.4311 8.4778 8.4778 8.5244 8.5244 8.5442 8.5442 9.0611 9.0611 11.9248 11.9248 k = 0.0000 0.1897-0.0000 ( 6343 PWs) bands (ev): -48.6172 -48.6172 -26.2891 -26.2891 -24.2207 -24.2207 -24.2199 -24.2199 -7.0962 -7.0962 -6.2044 -6.2044 -6.1237 -6.1237 -6.1031 -6.1031 0.5653 0.5653 0.6445 0.6445 1.6726 1.6726 2.0097 2.0097 2.1785 2.1785 2.1963 2.1963 2.6929 2.6929 2.8242 2.8242 2.8476 2.8476 3.2161 3.2161 3.4722 3.4722 3.4935 3.4935 3.5892 3.5892 3.7702 3.7702 4.1411 4.1411 4.2543 4.2543 4.2945 4.2945 4.3856 4.3856 4.4460 4.4460 4.4861 4.4861 4.7973 4.7973 4.8614 4.8614 4.9802 4.9802 5.0148 5.0148 5.6572 5.6572 5.8552 5.8552 5.9053 5.9053 8.1102 8.1102 8.4417 8.4417 8.4966 8.4966 8.5458 8.5458 8.5645 8.5645 9.1429 9.1429 11.8959 11.8959 k = 0.0000 0.2069-0.0000 ( 6335 PWs) bands (ev): -48.6172 -48.6172 -26.2891 -26.2891 -24.2208 -24.2208 -24.2199 -24.2199 -7.0831 -7.0831 -6.2187 -6.2187 -6.1243 -6.1243 -6.1032 -6.1032 0.5773 0.5773 0.6714 0.6714 1.6870 1.6870 1.9868 1.9868 2.1853 2.1853 2.2027 2.2027 2.6666 2.6666 2.8197 2.8197 2.8432 2.8432 3.1828 3.1828 3.4721 3.4721 3.4943 3.4943 3.5961 3.5961 3.7947 3.7947 4.1305 4.1305 4.2509 4.2509 4.2829 4.2829 4.3851 4.3851 4.4451 4.4451 4.4898 4.4898 4.7912 4.7912 4.8517 4.8517 4.9859 4.9859 5.0145 5.0145 5.6225 5.6225 5.8516 5.8516 5.8986 5.8986 8.0907 8.0907 8.4524 8.4524 8.5161 8.5161 8.5680 8.5680 8.5855 8.5855 9.2272 9.2272 11.8672 11.8672 k = 0.0000 0.2241-0.0000 ( 6335 PWs) bands (ev): -48.6172 -48.6172 -26.2892 -26.2892 -24.2210 -24.2210 -24.2199 -24.2199 -7.0692 -7.0692 -6.2341 -6.2341 -6.1247 -6.1247 -6.1032 -6.1032 0.5900 0.5900 0.7001 0.7001 1.7019 1.7019 1.9630 1.9630 2.1924 2.1924 2.2095 2.2095 2.6394 2.6394 2.8150 2.8150 2.8387 2.8387 3.1480 3.1480 3.4721 3.4721 3.4952 3.4952 3.6030 3.6030 3.8195 3.8195 4.1200 4.1200 4.2474 4.2474 4.2713 4.2713 4.3842 4.3842 4.4440 4.4440 4.4926 4.4926 4.7846 4.7846 4.8421 4.8421 4.9914 4.9914 5.0150 5.0150 5.5874 5.5874 5.8480 5.8480 5.8921 5.8921 8.0722 8.0722 8.4631 8.4631 8.5359 8.5359 8.5906 8.5906 8.6070 8.6070 9.3135 9.3135 11.8391 11.8391 k = 0.0000 0.2414-0.0000 ( 6327 PWs) bands (ev): -48.6171 -48.6171 -26.2892 -26.2892 -24.2211 -24.2211 -24.2199 -24.2199 -7.0545 -7.0545 -6.2505 -6.2505 -6.1250 -6.1250 -6.1033 -6.1033 0.6031 0.6031 0.7305 0.7305 1.7167 1.7167 1.9394 1.9394 2.1998 2.1998 2.2165 2.2165 2.6117 2.6117 2.8103 2.8103 2.8340 2.8340 3.1119 3.1119 3.4721 3.4721 3.4961 3.4961 3.6099 3.6099 3.8445 3.8445 4.1098 4.1098 4.2439 4.2439 4.2600 4.2600 4.3828 4.3828 4.4429 4.4429 4.4943 4.4943 4.7778 4.7778 4.8326 4.8326 4.9965 4.9965 5.0163 5.0163 5.5523 5.5523 5.8444 5.8444 5.8859 5.8859 8.0548 8.0548 8.4737 8.4737 8.5558 8.5558 8.6134 8.6134 8.6287 8.6287 9.4013 9.4013 11.8118 11.8118 k = 0.0000 0.2586-0.0000 ( 6323 PWs) bands (ev): -48.6171 -48.6171 -26.2893 -26.2893 -24.2212 -24.2212 -24.2199 -24.2199 -7.0391 -7.0391 -6.2677 -6.2677 -6.1252 -6.1252 -6.1033 -6.1033 0.6167 0.6167 0.7625 0.7625 1.7301 1.7301 1.9171 1.9171 2.2073 2.2073 2.2236 2.2236 2.5837 2.5837 2.8055 2.8055 2.8293 2.8293 3.0744 3.0744 3.4721 3.4721 3.4971 3.4971 3.6167 3.6167 3.8696 3.8696 4.0999 4.0999 4.2397 4.2397 4.2496 4.2496 4.3808 4.3808 4.4418 4.4418 4.4948 4.4948 4.7708 4.7708 4.8234 4.8234 5.0010 5.0010 5.0187 5.0187 5.5176 5.5176 5.8409 5.8409 5.8800 5.8800 8.0384 8.0384 8.4841 8.4841 8.5755 8.5755 8.6361 8.6361 8.6502 8.6502 9.4900 9.4900 11.7854 11.7854 k = 0.0000 0.2759-0.0000 ( 6323 PWs) bands (ev): -48.6171 -48.6171 -26.2893 -26.2893 -24.2214 -24.2214 -24.2199 -24.2199 -7.0231 -7.0231 -6.2856 -6.2856 -6.1254 -6.1254 -6.1034 -6.1034 0.6305 0.6305 0.7960 0.7960 1.7398 1.7398 1.8988 1.8988 2.2148 2.2148 2.2308 2.2308 2.5557 2.5557 2.8007 2.8007 2.8245 2.8245 3.0356 3.0356 3.4721 3.4721 3.4982 3.4982 3.6232 3.6232 3.8948 3.8948 4.0905 4.0905 4.2334 4.2334 4.2418 4.2418 4.3783 4.3783 4.4406 4.4406 4.4937 4.4937 4.7639 4.7639 4.8145 4.8145 5.0050 5.0050 5.0222 5.0222 5.4836 5.4836 5.8376 5.8376 5.8744 5.8744 8.0230 8.0230 8.4943 8.4943 8.5950 8.5950 8.6584 8.6584 8.6713 8.6713 9.5793 9.5793 11.7601 11.7601 k = 0.0000 0.2931-0.0000 ( 6331 PWs) bands (ev): -48.6172 -48.6172 -26.2894 -26.2894 -24.2215 -24.2215 -24.2199 -24.2199 -7.0065 -7.0065 -6.3040 -6.3040 -6.1255 -6.1255 -6.1034 -6.1034 0.6443 0.6443 0.8308 0.8308 1.7418 1.7418 1.8883 1.8883 2.2224 2.2224 2.2380 2.2380 2.5281 2.5281 2.7959 2.7959 2.8197 2.8197 2.9959 2.9959 3.4722 3.4722 3.4992 3.4992 3.6294 3.6294 3.9200 3.9200 4.0817 4.0817 4.2246 4.2246 4.2369 4.2369 4.3753 4.3753 4.4394 4.4394 4.4911 4.4911 4.7571 4.7571 4.8060 4.8060 5.0087 5.0087 5.0264 5.0264 5.4506 5.4506 5.8343 5.8343 5.8693 5.8693 8.0086 8.0086 8.5041 8.5041 8.6138 8.6138 8.6800 8.6800 8.6917 8.6917 9.6683 9.6683 11.7360 11.7360 k = 0.0000 0.3103-0.0000 ( 6323 PWs) bands (ev): -48.6171 -48.6171 -26.2894 -26.2894 -24.2216 -24.2216 -24.2199 -24.2199 -6.9896 -6.9896 -6.3227 -6.3227 -6.1256 -6.1256 -6.1035 -6.1035 0.6581 0.6581 0.8668 0.8668 1.7330 1.7330 1.8888 1.8888 2.2299 2.2299 2.2450 2.2450 2.5011 2.5011 2.7912 2.7912 2.8151 2.8151 2.9554 2.9554 3.4722 3.4722 3.5002 3.5002 3.6353 3.6353 3.9452 3.9452 4.0734 4.0734 4.2154 4.2154 4.2331 4.2331 4.3718 4.3718 4.4382 4.4382 4.4870 4.4870 4.7506 4.7506 4.7980 4.7980 5.0126 5.0126 5.0312 5.0312 5.4187 5.4187 5.8313 5.8313 5.8646 5.8646 7.9954 7.9954 8.5135 8.5135 8.6319 8.6319 8.7008 8.7008 8.7113 8.7113 9.7565 9.7565 11.7131 11.7131 k = 0.0000 0.3276-0.0000 ( 6311 PWs) bands (ev): -48.6170 -48.6170 -26.2894 -26.2894 -24.2218 -24.2218 -24.2199 -24.2199 -6.9725 -6.9725 -6.3416 -6.3416 -6.1256 -6.1256 -6.1035 -6.1035 0.6716 0.6716 0.9036 0.9036 1.7139 1.7139 1.8998 1.8998 2.2372 2.2372 2.2519 2.2519 2.4751 2.4751 2.7865 2.7865 2.8105 2.8105 2.9145 2.9145 3.4723 3.4723 3.5013 3.5013 3.6409 3.6409 3.9702 3.9702 4.0658 4.0658 4.2066 4.2066 4.2297 4.2297 4.3679 4.3679 4.4371 4.4371 4.4815 4.4815 4.7445 4.7445 4.7905 4.7905 5.0170 5.0170 5.0363 5.0363 5.3880 5.3880 5.8284 5.8284 5.8604 5.8604 7.9832 7.9832 8.5224 8.5224 8.6491 8.6491 8.7204 8.7204 8.7298 8.7298 9.8432 9.8432 11.6912 11.6912 k = 0.0000 0.3448-0.0000 ( 6311 PWs) bands (ev): -48.6170 -48.6170 -26.2895 -26.2895 -24.2219 -24.2219 -24.2199 -24.2199 -6.9553 -6.9553 -6.3605 -6.3605 -6.1257 -6.1257 -6.1036 -6.1036 0.6847 0.6847 0.9413 0.9413 1.6879 1.6879 1.9179 1.9179 2.2442 2.2442 2.2585 2.2585 2.4504 2.4504 2.7817 2.7817 2.8061 2.8061 2.8736 2.8736 3.4724 3.4724 3.5023 3.5023 3.6461 3.6461 3.9949 3.9949 4.0588 4.0588 4.1984 4.1984 4.2264 4.2264 4.3634 4.3634 4.4359 4.4359 4.4746 4.4746 4.7388 4.7388 4.7835 4.7835 5.0218 5.0218 5.0417 5.0417 5.3586 5.3586 5.8257 5.8257 5.8567 5.8567 7.9721 7.9721 8.5307 8.5307 8.6651 8.6651 8.7388 8.7388 8.7470 8.7470 9.9275 9.9275 11.6705 11.6705 k = 0.0000 0.3621-0.0000 ( 6323 PWs) bands (ev): -48.6171 -48.6171 -26.2895 -26.2895 -24.2220 -24.2220 -24.2199 -24.2199 -6.9383 -6.9383 -6.3790 -6.3790 -6.1257 -6.1257 -6.1036 -6.1036 0.6971 0.6971 0.9794 0.9794 1.6577 1.6577 1.9401 1.9401 2.2508 2.2508 2.2647 2.2647 2.4272 2.4272 2.7766 2.7766 2.8018 2.8018 2.8337 2.8337 3.4725 3.4725 3.5032 3.5032 3.6509 3.6509 4.0189 4.0189 4.0526 4.0526 4.1911 4.1911 4.2233 4.2233 4.3584 4.3584 4.4346 4.4346 4.4666 4.4666 4.7336 4.7336 4.7771 4.7771 5.0269 5.0269 5.0475 5.0475 5.3307 5.3307 5.8232 5.8232 5.8534 5.8534 7.9621 7.9621 8.5384 8.5384 8.6798 8.6798 8.7556 8.7556 8.7627 8.7627 10.0085 10.0085 11.6508 11.6508 k = 0.0000 0.3793-0.0000 ( 6319 PWs) bands (ev): -48.6171 -48.6171 -26.2896 -26.2896 -24.2221 -24.2221 -24.2199 -24.2199 -6.9217 -6.9217 -6.3970 -6.3970 -6.1257 -6.1257 -6.1037 -6.1037 0.7087 0.7087 1.0179 1.0179 1.6252 1.6252 1.9646 1.9646 2.2569 2.2569 2.2705 2.2705 2.4059 2.4059 2.7687 2.7687 2.7952 2.7952 2.8003 2.8003 3.4727 3.4727 3.5041 3.5041 3.6553 3.6553 4.0412 4.0412 4.0482 4.0482 4.1846 4.1846 4.2205 4.2205 4.3530 4.3530 4.4333 4.4333 4.4581 4.4581 4.7290 4.7290 4.7714 4.7714 5.0319 5.0319 5.0541 5.0541 5.3044 5.3044 5.8210 5.8210 5.8506 5.8506 7.9533 7.9533 8.5454 8.5454 8.6931 8.6931 8.7709 8.7709 8.7769 8.7769 10.0852 10.0852 11.6320 11.6320 k = 0.0000 0.3966-0.0000 ( 6323 PWs) bands (ev): -48.6171 -48.6171 -26.2896 -26.2896 -24.2222 -24.2222 -24.2199 -24.2199 -6.9060 -6.9060 -6.4140 -6.4140 -6.1257 -6.1257 -6.1037 -6.1037 0.7192 0.7192 1.0562 1.0562 1.5913 1.5913 1.9900 1.9900 2.2624 2.2624 2.2756 2.2756 2.3868 2.3868 2.7458 2.7458 2.7778 2.7778 2.7950 2.7950 3.4728 3.4728 3.5049 3.5049 3.6591 3.6591 4.0415 4.0415 4.0654 4.0654 4.1792 4.1792 4.2179 4.2179 4.3472 4.3472 4.4316 4.4316 4.4496 4.4496 4.7249 4.7249 4.7663 4.7663 5.0366 5.0366 5.0618 5.0618 5.2794 5.2794 5.8189 5.8189 5.8481 5.8481 7.9456 7.9456 8.5516 8.5516 8.7049 8.7049 8.7843 8.7843 8.7894 8.7894 10.1564 10.1564 11.6143 11.6143 k = 0.0000 0.4138-0.0000 ( 6323 PWs) bands (ev): -48.6171 -48.6171 -26.2896 -26.2896 -24.2223 -24.2223 -24.2199 -24.2199 -6.8914 -6.8914 -6.4297 -6.4297 -6.1257 -6.1257 -6.1037 -6.1037 0.7285 0.7285 1.0941 1.0941 1.5570 1.5570 2.0151 2.0151 2.2673 2.2673 2.2801 2.2801 2.3701 2.3701 2.7125 2.7125 2.7719 2.7719 2.7919 2.7919 3.4729 3.4729 3.5057 3.5057 3.6624 3.6624 4.0375 4.0375 4.0860 4.0860 4.1751 4.1751 4.2156 4.2156 4.3408 4.3408 4.4290 4.4290 4.4422 4.4422 4.7214 4.7214 4.7619 4.7619 5.0405 5.0405 5.0707 5.0707 5.2561 5.2561 5.8172 5.8172 5.8462 5.8462 7.9391 7.9391 8.5570 8.5570 8.7151 8.7151 8.7959 8.7959 8.8000 8.8000 10.2206 10.2206 11.5977 11.5977 k = 0.0000 0.4310-0.0000 ( 6335 PWs) bands (ev): -48.6171 -48.6171 -26.2897 -26.2897 -24.2223 -24.2223 -24.2199 -24.2199 -6.8784 -6.8784 -6.4437 -6.4437 -6.1257 -6.1257 -6.1038 -6.1038 0.7364 0.7364 1.1307 1.1307 1.5231 1.5231 2.0388 2.0388 2.2714 2.2714 2.2838 2.2838 2.3561 2.3561 2.6804 2.6804 2.7685 2.7685 2.7892 2.7892 3.4730 3.4730 3.5063 3.5063 3.6651 3.6651 4.0341 4.0341 4.1044 4.1044 4.1724 4.1724 4.2138 4.2138 4.3340 4.3340 4.4246 4.4246 4.4376 4.4376 4.7186 4.7186 4.7582 4.7582 5.0436 5.0436 5.0807 5.0807 5.2346 5.2346 5.8158 5.8158 5.8446 5.8446 7.9338 7.9338 8.5614 8.5614 8.7235 8.7235 8.8056 8.8056 8.8088 8.8088 10.2764 10.2764 11.5826 11.5826 k = 0.0000 0.4483-0.0000 ( 6343 PWs) bands (ev): -48.6172 -48.6172 -26.2897 -26.2897 -24.2224 -24.2224 -24.2199 -24.2199 -6.8675 -6.8675 -6.4553 -6.4553 -6.1257 -6.1257 -6.1038 -6.1038 0.7427 0.7427 1.1649 1.1649 1.4910 1.4910 2.0597 2.0597 2.2747 2.2747 2.2869 2.2869 2.3450 2.3450 2.6527 2.6527 2.7661 2.7661 2.7872 2.7872 3.4731 3.4731 3.5068 3.5068 3.6673 3.6673 4.0314 4.0314 4.1192 4.1192 4.1716 4.1716 4.2125 4.2125 4.3271 4.3271 4.4191 4.4191 4.4353 4.4353 4.7163 4.7163 4.7553 4.7553 5.0459 5.0459 5.0914 5.0914 5.2151 5.2151 5.8146 5.8146 5.8433 5.8433 7.9296 7.9296 8.5650 8.5650 8.7301 8.7301 8.8132 8.8132 8.8156 8.8156 10.3222 10.3222 11.5697 11.5697 k = 0.0000 0.4655-0.0000 ( 6358 PWs) bands (ev): -48.6173 -48.6173 -26.2897 -26.2897 -24.2224 -24.2224 -24.2199 -24.2199 -6.8593 -6.8593 -6.4641 -6.4641 -6.1257 -6.1257 -6.1038 -6.1038 0.7473 0.7473 1.1947 1.1947 1.4627 1.4627 2.0762 2.0762 2.2772 2.2772 2.2891 2.2891 2.3369 2.3369 2.6311 2.6311 2.7645 2.7645 2.7857 2.7857 3.4731 3.4731 3.5071 3.5071 3.6688 3.6688 4.0295 4.0295 4.1295 4.1295 4.1727 4.1727 4.2116 4.2116 4.3208 4.3208 4.4143 4.4143 4.4342 4.4342 4.7147 4.7147 4.7532 4.7532 5.0474 5.0474 5.1020 5.1020 5.1983 5.1983 5.8138 5.8138 5.8425 5.8425 7.9266 7.9266 8.5675 8.5675 8.7349 8.7349 8.8188 8.8188 8.8204 8.8204 10.3563 10.3563 11.5596 11.5596 k = 0.0000 0.4828-0.0000 ( 6358 PWs) bands (ev): -48.6173 -48.6173 -26.2897 -26.2897 -24.2225 -24.2225 -24.2199 -24.2199 -6.8541 -6.8541 -6.4696 -6.4696 -6.1257 -6.1257 -6.1038 -6.1038 0.7501 0.7501 1.2162 1.2162 1.4420 1.4420 2.0870 2.0870 2.2786 2.2786 2.2904 2.2904 2.3320 2.3320 2.6172 2.6172 2.7635 2.7635 2.7847 2.7847 3.4732 3.4732 3.5074 3.5074 3.6698 3.6698 4.0284 4.0284 4.1350 4.1350 4.1748 4.1748 4.2113 4.2113 4.3162 4.3162 4.4113 4.4113 4.4337 4.4337 4.7138 4.7138 4.7519 4.7519 5.0484 5.0484 5.1108 5.1108 5.1859 5.1859 5.8133 5.8133 5.8420 5.8420 7.9248 7.9248 8.5690 8.5690 8.7377 8.7377 8.8223 8.8223 8.8232 8.8232 10.3775 10.3775 11.5531 11.5531 k = 0.0000 0.5000-0.0000 ( 6382 PWs) bands (ev): -48.6174 -48.6174 -26.2897 -26.2897 -24.2225 -24.2225 -24.2199 -24.2199 -6.8523 -6.8523 -6.4715 -6.4715 -6.1257 -6.1257 -6.1038 -6.1038 0.7511 0.7511 1.2244 1.2244 1.4341 1.4341 2.0907 2.0907 2.2791 2.2791 2.2908 2.2908 2.3303 2.3303 2.6125 2.6125 2.7631 2.7631 2.7844 2.7844 3.4732 3.4732 3.5074 3.5074 3.6701 3.6701 4.0280 4.0280 4.1365 4.1365 4.1758 4.1758 4.2112 4.2112 4.3145 4.3145 4.4101 4.4101 4.4334 4.4334 4.7134 4.7134 4.7514 4.7514 5.0487 5.0487 5.1144 5.1144 5.1810 5.1810 5.8132 5.8132 5.8418 5.8418 7.9242 7.9242 8.5695 8.5695 8.7387 8.7387 8.8235 8.8235 8.8240 8.8240 10.3846 10.3846 11.5508 11.5508 k = 0.0000 0.5000-0.0000 ( 6382 PWs) bands (ev): -48.6174 -48.6174 -26.2897 -26.2897 -24.2225 -24.2225 -24.2199 -24.2199 -6.8523 -6.8523 -6.4715 -6.4715 -6.1257 -6.1257 -6.1038 -6.1038 0.7511 0.7511 1.2244 1.2244 1.4341 1.4341 2.0907 2.0907 2.2791 2.2791 2.2908 2.2908 2.3303 2.3303 2.6125 2.6125 2.7631 2.7631 2.7844 2.7844 3.4732 3.4732 3.5074 3.5074 3.6701 3.6701 4.0280 4.0280 4.1365 4.1365 4.1758 4.1758 4.2112 4.2112 4.3145 4.3145 4.4101 4.4101 4.4334 4.4334 4.7134 4.7134 4.7514 4.7514 5.0487 5.0487 5.1144 5.1144 5.1810 5.1810 5.8132 5.8132 5.8418 5.8418 7.9242 7.9242 8.5695 8.5695 8.7387 8.7387 8.8235 8.8235 8.8240 8.8240 10.3846 10.3846 11.5508 11.5508 k = 0.0172 0.5000-0.0000 ( 6366 PWs) bands (ev): -48.6173 -48.6173 -26.2897 -26.2897 -24.2225 -24.2225 -24.2199 -24.2199 -6.8518 -6.8518 -6.4716 -6.4709 -6.1265 -6.1255 -6.1042 -6.1041 0.7516 0.7522 1.2245 1.2246 1.4341 1.4341 2.0903 2.0914 2.2783 2.2797 2.2904 2.2910 2.3296 2.3312 2.6116 2.6132 2.7626 2.7630 2.7837 2.7844 3.4716 3.4719 3.5048 3.5070 3.6710 3.6714 4.0264 4.0289 4.1300 4.1418 4.1728 4.1755 4.2046 4.2232 4.3132 4.3157 4.4061 4.4127 4.4269 4.4452 4.7078 4.7161 4.7440 4.7575 5.0456 5.0567 5.1119 5.1163 5.1766 5.1865 5.8088 5.8157 5.8404 5.8414 7.9246 7.9268 8.5696 8.5726 8.7266 8.7425 8.8158 8.8211 8.8260 8.8397 10.3858 10.3865 11.5518 11.5538 k = 0.0345 0.5000-0.0000 ( 6350 PWs) bands (ev): -48.6172 -48.6172 -26.2897 -26.2897 -24.2225 -24.2225 -24.2199 -24.2199 -6.8503 -6.8503 -6.4713 -6.4699 -6.1280 -6.1261 -6.1053 -6.1051 0.7539 0.7550 1.2251 1.2251 1.4339 1.4340 2.0900 2.0922 2.2770 2.2799 2.2897 2.2909 2.3290 2.3323 2.6106 2.6138 2.7614 2.7620 2.7824 2.7840 3.4673 3.4678 3.4991 3.5033 3.6740 3.6747 4.0240 4.0290 4.1229 4.1448 4.1659 4.1745 4.2045 4.2374 4.3117 4.3176 4.4032 4.4079 4.4315 4.4591 4.6977 4.7168 4.7376 4.7602 5.0479 5.0679 5.1091 5.1177 5.1731 5.1933 5.8027 5.8164 5.8372 5.8392 7.9278 7.9323 8.5726 8.5787 8.7114 8.7352 8.8134 8.8168 8.8330 8.8599 10.3900 10.3914 11.5568 11.5606 k = 0.0517 0.5000-0.0000 ( 6358 PWs) bands (ev): -48.6173 -48.6173 -26.2897 -26.2897 -24.2225 -24.2225 -24.2200 -24.2200 -6.8478 -6.8477 -6.4706 -6.4684 -6.1302 -6.1274 -6.1069 -6.1068 0.7578 0.7595 1.2260 1.2260 1.4336 1.4338 2.0900 2.0932 2.2752 2.2792 2.2892 2.2907 2.3285 2.3334 2.6095 2.6143 2.7596 2.7601 2.7803 2.7830 3.4605 3.4608 3.4908 3.4965 3.6787 3.6798 4.0210 4.0283 4.1157 4.1440 4.1594 4.1736 4.2074 4.2517 4.3104 4.3207 4.4009 4.4015 4.4418 4.4745 4.6832 4.7156 4.7334 4.7593 5.0544 5.0794 5.1070 5.1193 5.1707 5.2023 5.7950 5.8154 5.8323 5.8352 7.9340 7.9406 8.5778 8.5876 8.6960 8.7215 8.8095 8.8106 8.8475 8.8820 10.3972 10.3994 11.5656 11.5712 k = 0.0690 0.5000-0.0000 ( 6352 PWs) bands (ev): -48.6172 -48.6172 -26.2898 -26.2898 -24.2225 -24.2225 -24.2200 -24.2200 -6.8443 -6.8442 -6.4695 -6.4666 -6.1331 -6.1295 -6.1092 -6.1091 0.7634 0.7656 1.2272 1.2273 1.4332 1.4334 2.0902 2.0944 2.2727 2.2774 2.2895 2.2908 2.3282 2.3347 2.6083 2.6146 2.7570 2.7570 2.7776 2.7819 3.4510 3.4513 3.4802 3.4869 3.6851 3.6863 4.0176 4.0270 4.1092 4.1381 4.1574 4.1732 4.2106 4.2638 4.3107 4.3254 4.3946 4.4009 4.4545 4.4911 4.6659 4.7123 4.7309 4.7558 5.0613 5.0876 5.1078 5.1227 5.1703 5.2144 5.7858 5.8127 5.8258 5.8296 7.9430 7.9518 8.5843 8.5985 8.6826 8.7061 8.8027 8.8031 8.8663 8.9051 10.4074 10.4103 11.5782 11.5855 k = 0.0862 0.5000-0.0000 ( 6334 PWs) bands (ev): -48.6171 -48.6171 -26.2898 -26.2898 -24.2225 -24.2225 -24.2200 -24.2200 -6.8398 -6.8396 -6.4679 -6.4643 -6.1367 -6.1324 -6.1120 -6.1119 0.7705 0.7733 1.2288 1.2289 1.4326 1.4329 2.0907 2.0960 2.2694 2.2744 2.2904 2.2913 2.3281 2.3360 2.6071 2.6148 2.7529 2.7538 2.7744 2.7806 3.4387 3.4401 3.4678 3.4747 3.6925 3.6938 4.0141 4.0252 4.1038 4.1304 4.1575 4.1732 4.2131 4.2712 4.3148 4.3315 4.3899 4.4017 4.4689 4.5086 4.6471 4.7061 4.7296 4.7515 5.0633 5.0901 5.1131 5.1287 5.1743 5.2305 5.7753 5.8084 5.8181 5.8228 7.9547 7.9656 8.5896 8.6100 8.6736 8.6922 8.7933 8.7949 8.8869 8.9285 10.4206 10.4242 11.5945 11.6031 k = 0.1034 0.5000-0.0000 ( 6322 PWs) bands (ev): -48.6171 -48.6171 -26.2898 -26.2898 -24.2225 -24.2225 -24.2201 -24.2201 -6.8344 -6.8341 -6.4659 -6.4616 -6.1411 -6.1363 -6.1155 -6.1150 0.7792 0.7826 1.2307 1.2308 1.4318 1.4321 2.0917 2.0979 2.2652 2.2704 2.2917 2.2921 2.3283 2.3376 2.6058 2.6149 2.7475 2.7496 2.7710 2.7792 3.4240 3.4270 3.4538 3.4601 3.7008 3.7020 4.0105 4.0230 4.0994 4.1234 4.1580 4.1735 4.2145 4.2730 4.3225 4.3379 4.3875 4.4040 4.4844 4.5266 4.6279 4.6969 4.7291 4.7478 5.0597 5.0877 5.1186 5.1350 5.1864 5.2508 5.7637 5.8023 5.8095 5.8154 7.9690 7.9821 8.5908 8.6187 8.6718 8.6833 8.7830 8.7860 8.9083 8.9521 10.4368 10.4409 11.6140 11.6236 k = 0.1207 0.5000-0.0000 ( 6318 PWs) bands (ev): -48.6170 -48.6170 -26.2898 -26.2898 -24.2226 -24.2226 -24.2202 -24.2201 -6.8280 -6.8277 -6.4635 -6.4585 -6.1462 -6.1412 -6.1195 -6.1185 0.7894 0.7933 1.2329 1.2329 1.4307 1.4310 2.0932 2.1003 2.2605 2.2658 2.2932 2.2933 2.3289 2.3393 2.6047 2.6150 2.7409 2.7443 2.7674 2.7776 3.4070 3.4121 3.4385 3.4436 3.7095 3.7105 4.0073 4.0207 4.0963 4.1175 4.1584 4.1740 4.2153 4.2713 4.3301 4.3435 4.3889 4.4083 4.5005 4.5448 4.6090 4.6849 4.7292 4.7450 5.0525 5.0823 5.1196 5.1396 5.2079 5.2746 5.7511 5.7936 5.8006 5.8084 7.9858 8.0010 8.5862 8.6194 8.6777 8.6833 8.7731 8.7779 8.9299 8.9754 10.4558 10.4605 11.6364 11.6461 k = 0.1379 0.5000-0.0000 ( 6318 PWs) bands (ev): -48.6170 -48.6170 -26.2899 -26.2899 -24.2226 -24.2226 -24.2202 -24.2202 -6.8207 -6.8203 -6.4607 -6.4551 -6.1522 -6.1470 -6.1238 -6.1222 0.8010 0.8054 1.2353 1.2353 1.4293 1.4296 2.0953 2.1033 2.2552 2.2607 2.2947 2.2947 2.3299 2.3411 2.6036 2.6150 2.7333 2.7378 2.7640 2.7760 3.3880 3.3956 3.4222 3.4254 3.7184 3.7192 4.0044 4.0186 4.0943 4.1130 4.1587 4.1746 4.2157 4.2682 4.3344 4.3473 4.3955 4.4147 4.5168 4.5624 4.5913 4.6713 4.7299 4.7432 5.0434 5.0749 5.1164 5.1420 5.2359 5.3008 5.7375 5.7823 5.7921 5.8027 8.0050 8.0222 8.5776 8.6122 8.6870 8.6894 8.7662 8.7735 8.9514 8.9983 10.4775 10.4828 11.6604 11.6690 k = 0.1552 0.5000-0.0000 ( 6326 PWs) bands (ev): -48.6171 -48.6171 -26.2899 -26.2899 -24.2226 -24.2226 -24.2203 -24.2203 -6.8125 -6.8121 -6.4575 -6.4513 -6.1590 -6.1539 -6.1286 -6.1262 0.8138 0.8188 1.2379 1.2379 1.4274 1.4277 2.0981 2.1070 2.2495 2.2553 2.2962 2.2963 2.3314 2.3432 2.6027 2.6150 2.7246 2.7301 2.7608 2.7743 3.3674 3.3776 3.4048 3.4059 3.7272 3.7277 4.0022 4.0168 4.0936 4.1098 4.1588 4.1753 4.2161 4.2647 4.3346 4.3489 4.4067 4.4224 4.5326 4.5700 4.5845 4.6571 4.7314 4.7420 5.0330 5.0659 5.1105 5.1420 5.2671 5.3278 5.7229 5.7688 5.7850 5.7986 8.0264 8.0455 8.5672 8.6012 8.6925 8.6927 8.7674 8.7779 8.9725 9.0206 10.5020 10.5077 11.6841 11.6895 k = 0.1724 0.5000-0.0000 ( 6322 PWs) bands (ev): -48.6171 -48.6171 -26.2899 -26.2899 -24.2227 -24.2227 -24.2204 -24.2204 -6.8034 -6.8030 -6.4540 -6.4471 -6.1667 -6.1616 -6.1336 -6.1304 0.8280 0.8334 1.2407 1.2407 1.4251 1.4253 2.1018 2.1114 2.2438 2.2499 2.2974 2.2980 2.3336 2.3456 2.6019 2.6151 2.7149 2.7212 2.7577 2.7724 3.3455 3.3581 3.3854 3.3865 3.7358 3.7361 4.0007 4.0157 4.0940 4.1078 4.1589 4.1760 4.2166 4.2612 4.3322 4.3485 4.4207 4.4303 4.5468 4.5573 4.5993 4.6438 4.7338 4.7411 5.0219 5.0557 5.1027 5.1400 5.2995 5.3544 5.7074 5.7536 5.7805 5.7964 8.0497 8.0707 8.5564 8.5894 8.6880 8.6891 8.7805 8.7934 8.9932 9.0421 10.5290 10.5352 11.7034 11.7036 k = 0.1897 0.5000-0.0000 ( 6320 PWs) bands (ev): -48.6170 -48.6170 -26.2900 -26.2900 -24.2227 -24.2227 -24.2205 -24.2205 -6.7936 -6.7931 -6.4501 -6.4426 -6.1751 -6.1702 -6.1389 -6.1348 0.8432 0.8491 1.2435 1.2436 1.4222 1.4224 2.1064 2.1168 2.2381 2.2445 2.2985 2.2998 2.3363 2.3482 2.6013 2.6152 2.7044 2.7112 2.7549 2.7705 3.3226 3.3373 3.3641 3.3673 3.7441 3.7441 3.9998 4.0155 4.0955 4.1068 4.1590 4.1766 4.2174 4.2580 4.3285 4.3468 4.4361 4.4365 4.5463 4.5573 4.6148 4.6338 4.7373 4.7405 5.0102 5.0445 5.0934 5.1359 5.3314 5.3793 5.6908 5.7370 5.7798 5.7967 8.0749 8.0976 8.5459 8.5777 8.6773 8.6787 8.8026 8.8167 9.0132 9.0628 10.5586 10.5650 11.7068 11.7134 k = 0.2069 0.5000-0.0000 ( 6308 PWs) bands (ev): -48.6170 -48.6170 -26.2900 -26.2900 -24.2228 -24.2228 -24.2205 -24.2205 -6.7829 -6.7825 -6.4459 -6.4379 -6.1844 -6.1797 -6.1444 -6.1396 0.8594 0.8658 1.2465 1.2466 1.4188 1.4188 2.1122 2.1231 2.2326 2.2393 2.2993 2.3015 2.3396 2.3511 2.6010 2.6154 2.6931 2.7003 2.7523 2.7684 3.2991 3.3155 3.3421 3.3471 3.7516 3.7518 3.9997 4.0162 4.0981 4.1067 4.1592 4.1769 4.2185 4.2551 4.3244 4.3440 4.4391 4.4519 4.5400 4.5606 4.6290 4.6307 4.7400 4.7418 4.9982 5.0325 5.0828 5.1298 5.3616 5.4014 5.6734 5.7194 5.7838 5.8001 8.1016 8.1259 8.5361 8.5667 8.6637 8.6653 8.8296 8.8444 9.0325 9.0825 10.5904 10.5971 11.6989 11.7100 k = 0.2241 0.5000-0.0000 ( 6304 PWs) bands (ev): -48.6169 -48.6169 -26.2901 -26.2901 -24.2228 -24.2228 -24.2206 -24.2206 -6.7716 -6.7711 -6.4414 -6.4328 -6.1944 -6.1899 -6.1502 -6.1445 0.8765 0.8833 1.2495 1.2496 1.4145 1.4146 2.1191 2.1306 2.2275 2.2345 2.3000 2.3032 2.3435 2.3543 2.6009 2.6158 2.6810 2.6884 2.7499 2.7663 3.2750 3.2928 3.3195 3.3261 3.7586 3.7589 4.0002 4.0180 4.1016 4.1073 4.1593 4.1770 4.2200 4.2528 4.3201 4.3404 4.4368 4.4676 4.5396 4.5553 4.6359 4.6415 4.7397 4.7474 4.9859 5.0197 5.0709 5.1217 5.3891 5.4198 5.6554 5.7009 5.7930 5.8072 8.1296 8.1553 8.5271 8.5565 8.6489 8.6507 8.8592 8.8744 9.0509 9.1010 10.6244 10.6312 11.6813 11.6944 k = 0.2414 0.5000-0.0000 ( 6296 PWs) bands (ev): -48.6169 -48.6169 -26.2901 -26.2901 -24.2229 -24.2229 -24.2207 -24.2207 -6.7596 -6.7591 -6.4366 -6.4276 -6.2051 -6.2008 -6.1561 -6.1497 0.8943 0.9015 1.2525 1.2527 1.4094 1.4097 2.1273 2.1392 2.2229 2.2301 2.3005 2.3047 2.3479 2.3578 2.6011 2.6162 2.6682 2.6758 2.7476 2.7640 3.2508 3.2697 3.2963 3.3043 3.7649 3.7653 4.0014 4.0209 4.1059 4.1085 4.1597 4.1766 4.2218 4.2511 4.3161 4.3362 4.4301 4.4828 4.5445 4.5445 4.6466 4.6522 4.7395 4.7540 4.9735 5.0064 5.0580 5.1117 5.4129 5.4343 5.6369 5.6819 5.8075 5.8183 8.1586 8.1855 8.5189 8.5471 8.6340 8.6361 8.8902 8.9057 9.0684 9.1184 10.6603 10.6673 11.6562 11.6696 k = 0.2586 0.5000-0.0000 ( 6304 PWs) bands (ev): -48.6169 -48.6169 -26.2902 -26.2902 -24.2230 -24.2230 -24.2208 -24.2208 -6.7471 -6.7465 -6.4316 -6.4221 -6.2165 -6.2123 -6.1621 -6.1552 0.9128 0.9203 1.2554 1.2556 1.4035 1.4039 2.1367 2.1491 2.2189 2.2264 2.3010 2.3061 2.3525 2.3617 2.6016 2.6166 2.6548 2.6625 2.7455 2.7617 3.2267 3.2463 3.2726 3.2818 3.7707 3.7709 4.0033 4.0248 4.1100 4.1108 4.1601 4.1758 4.2240 4.2501 4.3124 4.3316 4.4208 4.4961 4.5326 4.5530 4.6595 4.6613 4.7395 4.7612 4.9611 4.9926 5.0440 5.0999 5.4328 5.4451 5.6184 5.6626 5.8268 5.8336 8.1883 8.2163 8.5116 8.5385 8.6195 8.6219 8.9218 8.9373 9.0849 9.1344 10.6980 10.7051 11.6251 11.6378 k = 0.2759 0.5000-0.0000 ( 6316 PWs) bands (ev): -48.6170 -48.6170 -26.2902 -26.2902 -24.2231 -24.2231 -24.2208 -24.2208 -6.7340 -6.7334 -6.4263 -6.4165 -6.2284 -6.2244 -6.1682 -6.1608 0.9318 0.9395 1.2583 1.2585 1.3967 1.3974 2.1475 2.1601 2.2158 2.2234 2.3015 2.3074 2.3575 2.3657 2.6023 2.6169 2.6408 2.6488 2.7435 2.7594 3.2029 3.2229 3.2486 3.2586 3.7758 3.7759 4.0057 4.0295 4.1117 4.1161 4.1607 4.1745 4.2265 4.2499 4.3092 4.3265 4.4102 4.5009 4.5277 4.5635 4.6690 4.6727 4.7397 4.7685 4.9488 4.9785 5.0293 5.0864 5.4485 5.4526 5.6003 5.6433 5.8499 5.8527 8.2184 8.2472 8.5051 8.5307 8.6058 8.6087 8.9534 8.9688 9.1004 9.1490 10.7373 10.7443 11.5894 11.6010 k = 0.2931 0.5000-0.0000 ( 6296 PWs) bands (ev): -48.6169 -48.6169 -26.2903 -26.2903 -24.2231 -24.2231 -24.2209 -24.2209 -6.7205 -6.7198 -6.4209 -6.4108 -6.2407 -6.2369 -6.1745 -6.1666 0.9511 0.9591 1.2611 1.2613 1.3891 1.3900 2.1594 2.1722 2.2139 2.2214 2.3020 2.3086 2.3627 2.3701 2.6032 2.6164 2.6263 2.6354 2.7418 2.7571 3.1795 3.1998 3.2244 3.2352 3.7802 3.7804 4.0088 4.0350 4.1136 4.1216 4.1616 4.1727 4.2295 4.2508 4.3065 4.3213 4.3996 4.4911 4.5369 4.5753 4.6758 4.6856 4.7402 4.7754 4.9367 4.9644 5.0139 5.0716 5.4577 5.4605 5.5828 5.6243 5.8751 5.8756 8.2486 8.2778 8.4994 8.5236 8.5933 8.5966 8.9847 8.9997 9.1148 9.1622 10.7780 10.7849 11.5503 11.5606 k = 0.3103 0.5000-0.0000 ( 6302 PWs) bands (ev): -48.6169 -48.6169 -26.2903 -26.2903 -24.2232 -24.2232 -24.2209 -24.2209 -6.7066 -6.7060 -6.4154 -6.4051 -6.2535 -6.2497 -6.1807 -6.1725 0.9706 0.9787 1.2637 1.2640 1.3806 1.3818 2.1721 2.1850 2.2135 2.2208 2.3026 2.3096 2.3680 2.3745 2.6042 2.6114 2.6114 2.6259 2.7403 2.7547 3.1569 3.1769 3.2002 3.2114 3.7839 3.7844 4.0124 4.0411 4.1152 4.1269 4.1626 4.1703 4.2329 4.2527 4.3044 4.3158 4.3894 4.4764 4.5505 4.5876 4.6820 4.6975 4.7412 4.7814 4.9250 4.9503 4.9979 5.0554 5.4610 5.4692 5.5661 5.6057 5.8996 5.9029 8.2785 8.3079 8.4944 8.5172 8.5822 8.5859 9.0151 9.0296 9.1282 9.1739 10.8197 10.8264 11.5090 11.5179 k = 0.3276 0.5000-0.0000 ( 6302 PWs) bands (ev): -48.6169 -48.6169 -26.2904 -26.2904 -24.2233 -24.2233 -24.2210 -24.2210 -6.6925 -6.6919 -6.4099 -6.3994 -6.2665 -6.2628 -6.1868 -6.1784 0.9902 0.9984 1.2661 1.2664 1.3712 1.3728 2.1842 2.1969 2.2158 2.2230 2.3033 2.3105 2.3734 2.3791 2.5952 2.5985 2.6062 2.6237 2.7390 2.7525 3.1352 3.1546 3.1765 3.1878 3.7871 3.7879 4.0166 4.0475 4.1165 4.1317 4.1638 4.1676 4.2368 4.2557 4.3028 4.3103 4.3802 4.4607 4.5649 4.6001 4.6880 4.7078 4.7431 4.7859 4.9138 4.9366 4.9816 5.0385 5.4631 5.4753 5.5507 5.5878 5.9254 5.9305 8.3078 8.3368 8.4902 8.5114 8.5726 8.5766 9.0443 9.0579 9.1405 9.1841 10.8623 10.8688 11.4667 11.4743 k = 0.3448 0.5000-0.0000 ( 6292 PWs) bands (ev): -48.6169 -48.6169 -26.2904 -26.2904 -24.2234 -24.2234 -24.2210 -24.2210 -6.6784 -6.6777 -6.4043 -6.3938 -6.2795 -6.2759 -6.1929 -6.1844 1.0098 1.0180 1.2684 1.2686 1.3611 1.3631 2.1933 2.2048 2.2233 2.2311 2.3041 2.3113 2.3787 2.3836 2.5793 2.5829 2.6077 2.6237 2.7380 2.7503 3.1145 3.1328 3.1537 3.1645 3.7898 3.7909 4.0213 4.0541 4.1173 4.1357 4.1647 4.1651 4.2412 4.2597 4.3017 4.3050 4.3719 4.4450 4.5795 4.6126 4.6940 4.7160 4.7464 4.7886 4.9032 4.9234 4.9652 5.0209 5.4645 5.4793 5.5367 5.5709 5.9515 5.9577 8.3359 8.3643 8.4867 8.5062 8.5646 8.5689 9.0719 9.0846 9.1517 9.1927 10.9053 10.9115 11.4246 11.4309 k = 0.3621 0.5000-0.0000 ( 6300 PWs) bands (ev): -48.6169 -48.6169 -26.2905 -26.2905 -24.2234 -24.2234 -24.2211 -24.2211 -6.6643 -6.6636 -6.3990 -6.3886 -6.2925 -6.2889 -6.1987 -6.1904 1.0292 1.0372 1.2704 1.2706 1.3504 1.3527 2.1982 2.2081 2.2370 2.2455 2.3050 2.3120 2.3838 2.3881 2.5627 2.5661 2.6094 2.6242 2.7372 2.7483 3.0952 3.1116 3.1321 3.1420 3.7921 3.7934 4.0265 4.0606 4.1175 4.1386 4.1620 4.1662 4.2463 4.2644 4.3000 4.3011 4.3647 4.4293 4.5941 4.6248 4.7002 4.7215 4.7514 4.7890 4.8933 4.9111 4.9489 5.0029 5.4654 5.4818 5.5243 5.5550 5.9770 5.9837 8.3626 8.3897 8.4837 8.5016 8.5583 8.5628 9.0976 9.1090 9.1620 9.1998 10.9485 10.9544 11.3837 11.3888 k = 0.3793 0.5000-0.0000 ( 6298 PWs) bands (ev): -48.6169 -48.6169 -26.2905 -26.2905 -24.2235 -24.2235 -24.2211 -24.2211 -6.6504 -6.6498 -6.3939 -6.3837 -6.3051 -6.3016 -6.2043 -6.1962 1.0481 1.0559 1.2722 1.2724 1.3392 1.3418 2.2009 2.2096 2.2547 2.2632 2.3059 2.3125 2.3887 2.3923 2.5457 2.5487 2.6112 2.6248 2.7366 2.7464 3.0773 3.0913 3.1123 3.1207 3.7941 3.7955 4.0321 4.0670 4.1170 4.1398 4.1601 4.1671 4.2519 4.2695 4.2957 4.3012 4.3585 4.4138 4.6085 4.6366 4.7070 4.7245 4.7577 4.7870 4.8845 4.8999 4.9330 4.9849 5.4660 5.4832 5.5136 5.5404 6.0010 6.0077 8.3873 8.4126 8.4814 8.4975 8.5535 8.5581 9.1211 9.1311 9.1713 9.2055 10.9915 10.9970 11.3450 11.3491 k = 0.3966 0.5000-0.0000 ( 6294 PWs) bands (ev): -48.6169 -48.6169 -26.2905 -26.2905 -24.2236 -24.2236 -24.2211 -24.2211 -6.6371 -6.6366 -6.3892 -6.3795 -6.3170 -6.3136 -6.2094 -6.2018 1.0664 1.0739 1.2737 1.2738 1.3277 1.3306 2.2029 2.2106 2.2745 2.2826 2.3070 2.3129 2.3933 2.3963 2.5280 2.5307 2.6131 2.6252 2.7363 2.7447 3.0610 3.0722 3.0946 3.1010 3.7958 3.7972 4.0381 4.0729 4.1159 4.1392 4.1593 4.1677 4.2583 4.2744 4.2923 4.3021 4.3530 4.3986 4.6229 4.6479 4.7145 4.7256 4.7646 4.7825 4.8767 4.8901 4.9177 4.9672 5.4666 5.4838 5.5048 5.5272 6.0231 6.0294 8.4097 8.4325 8.4797 8.4942 8.5503 8.5548 9.1422 9.1505 9.1797 9.2096 11.0337 11.0387 11.3095 11.3127 k = 0.4138 0.5000-0.0000 ( 6292 PWs) bands (ev): -48.6168 -48.6168 -26.2905 -26.2905 -24.2236 -24.2236 -24.2212 -24.2211 -6.6247 -6.6241 -6.3853 -6.3763 -6.3277 -6.3245 -6.2139 -6.2070 1.0839 1.0909 1.2748 1.2749 1.3163 1.3194 2.2048 2.2113 2.2956 2.3030 2.3082 2.3133 2.3974 2.3999 2.5098 2.5122 2.6150 2.6255 2.7362 2.7431 3.0466 3.0547 3.0793 3.0835 3.7973 3.7986 4.0444 4.0780 4.1144 4.1369 4.1596 4.1679 4.2652 4.2786 4.2900 4.3041 4.3482 4.3838 4.6372 4.6585 4.7228 4.7254 4.7712 4.7755 4.8703 4.8818 4.9037 4.9501 5.4672 5.4838 5.4978 5.5155 6.0427 6.0483 8.4294 8.4487 8.4786 8.4915 8.5486 8.5527 9.1606 9.1671 9.1874 9.2124 11.0744 11.0789 11.2780 11.2804 k = 0.4310 0.5000-0.0000 ( 6290 PWs) bands (ev): -48.6168 -48.6168 -26.2906 -26.2906 -24.2237 -24.2237 -24.2212 -24.2212 -6.6134 -6.6129 -6.3823 -6.3745 -6.3365 -6.3337 -6.2178 -6.2118 1.1001 1.1064 1.2755 1.2755 1.3056 1.3087 2.2065 2.2120 2.3089 2.3128 2.3183 2.3246 2.4010 2.4029 2.4909 2.4931 2.6168 2.6256 2.7363 2.7418 3.0341 3.0395 3.0663 3.0686 3.7984 3.7996 4.0509 4.0820 4.1128 4.1335 4.1605 4.1677 4.2724 4.2816 4.2891 4.3072 4.3438 4.3695 4.6513 4.6683 4.7242 4.7318 4.7664 4.7767 4.8653 4.8749 4.8918 4.9337 5.4678 5.4835 5.4926 5.5054 6.0593 6.0640 8.4458 8.4608 8.4781 8.4898 8.5483 8.5518 9.1762 9.1805 9.1943 9.2139 11.1126 11.1165 11.2512 11.2529 k = 0.4483 0.5000-0.0000 ( 6284 PWs) bands (ev): -48.6168 -48.6168 -26.2906 -26.2906 -24.2237 -24.2237 -24.2212 -24.2212 -6.6038 -6.6034 -6.3806 -6.3746 -6.3427 -6.3407 -6.2207 -6.2160 1.1146 1.1198 1.2754 1.2754 1.2963 1.2991 2.2082 2.2124 2.3099 2.3132 2.3404 2.3462 2.4040 2.4054 2.4713 2.4735 2.6186 2.6253 2.7366 2.7406 3.0239 3.0271 3.0559 3.0568 3.7994 3.8004 4.0576 4.0842 4.1118 4.1297 4.1616 4.1673 4.2787 4.2834 4.2908 4.3113 4.3396 4.3557 4.6649 4.6770 4.7221 4.7410 4.7563 4.7803 4.8616 4.8692 4.8830 4.9186 5.4688 5.4827 5.4890 5.4969 6.0727 6.0764 8.4586 8.4684 8.4784 8.4890 8.5490 8.5516 9.1888 9.1908 9.2003 9.2142 11.1468 11.1500 11.2297 11.2309 k = 0.4655 0.5000-0.0000 ( 6280 PWs) bands (ev): -48.6168 -48.6168 -26.2906 -26.2906 -24.2237 -24.2237 -24.2212 -24.2212 -6.5963 -6.5960 -6.3801 -6.3763 -6.3461 -6.3451 -6.2227 -6.2194 1.1265 1.1303 1.2742 1.2744 1.2898 1.2918 2.2097 2.2125 2.3108 2.3130 2.3631 2.3680 2.4063 2.4071 2.4509 2.4534 2.6202 2.6248 2.7369 2.7396 3.0162 3.0179 3.0482 3.0484 3.8001 3.8008 4.0642 4.0839 4.1124 4.1257 4.1627 4.1666 4.2820 4.2841 4.2968 4.3159 4.3355 4.3426 4.6777 4.6846 4.7198 4.7421 4.7537 4.7809 4.8592 4.8647 4.8787 4.9049 5.4703 5.4813 5.4868 5.4905 6.0826 6.0851 8.4672 8.4722 8.4801 8.4889 8.5502 8.5519 9.1982 9.1984 9.2051 9.2133 11.1749 11.1772 11.2142 11.2148 k = 0.4828 0.5000-0.0000 ( 6280 PWs) bands (ev): -48.6168 -48.6168 -26.2906 -26.2906 -24.2238 -24.2238 -24.2212 -24.2212 -6.5916 -6.5914 -6.3802 -6.3784 -6.3476 -6.3472 -6.2236 -6.2219 1.1348 1.1369 1.2722 1.2725 1.2867 1.2877 2.2109 2.2123 2.3115 2.3127 2.3857 2.3896 2.4078 2.4080 2.4298 2.4327 2.6217 2.6240 2.7374 2.7388 3.0115 3.0122 3.0434 3.0435 3.8007 3.8010 4.0705 4.0810 4.1146 4.1216 4.1638 4.1657 4.2833 4.2842 4.3059 4.3199 4.3309 4.3314 4.6881 4.6903 4.7187 4.7315 4.7626 4.7778 4.8582 4.8613 4.8794 4.8934 5.4725 5.4788 5.4857 5.4869 6.0889 6.0902 8.4714 8.4733 8.4834 8.4883 8.5514 8.5522 9.2040 9.2045 9.2077 9.2113 11.1938 11.1948 11.2051 11.2052 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -48.6167 -48.6167 -26.2906 -26.2906 -24.2238 -24.2238 -24.2212 -24.2212 -6.5899 -6.5899 -6.3798 -6.3798 -6.3479 -6.3479 -6.2233 -6.2233 1.1384 1.1384 1.2714 1.2714 1.2862 1.2862 2.2118 2.2118 2.3122 2.3122 2.4075 2.4075 2.4077 2.4077 2.4126 2.4126 2.6230 2.6230 2.7381 2.7381 3.0101 3.0101 3.0419 3.0419 3.8010 3.8010 4.0763 4.0763 4.1179 4.1179 4.1648 4.1648 4.2840 4.2840 4.3160 4.3160 4.3278 4.3278 4.6926 4.6926 4.7224 4.7224 4.7713 4.7713 4.8590 4.8590 4.8846 4.8846 5.4755 5.4755 5.4857 5.4857 6.0915 6.0915 8.4730 8.4730 8.4865 8.4865 8.5521 8.5521 9.2075 9.2075 9.2084 9.2084 11.1993 11.1993 11.2036 11.2036 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -48.6167 -48.6167 -26.2906 -26.2906 -24.2238 -24.2238 -24.2212 -24.2212 -6.5899 -6.5899 -6.3798 -6.3798 -6.3479 -6.3479 -6.2233 -6.2233 1.1384 1.1384 1.2714 1.2714 1.2862 1.2862 2.2118 2.2118 2.3122 2.3122 2.4075 2.4075 2.4077 2.4077 2.4126 2.4126 2.6230 2.6230 2.7381 2.7381 3.0101 3.0101 3.0419 3.0419 3.8010 3.8010 4.0763 4.0763 4.1179 4.1179 4.1648 4.1648 4.2840 4.2840 4.3160 4.3160 4.3278 4.3278 4.6926 4.6926 4.7224 4.7224 4.7713 4.7713 4.8590 4.8590 4.8846 4.8846 5.4755 5.4755 5.4857 5.4857 6.0915 6.0915 8.4730 8.4730 8.4865 8.4865 8.5521 8.5521 9.2075 9.2075 9.2084 9.2084 11.1993 11.1993 11.2036 11.2036 k = 0.4878 0.4878-0.0000 ( 6276 PWs) bands (ev): -48.6168 -48.6168 -26.2906 -26.2906 -24.2238 -24.2238 -24.2212 -24.2212 -6.5916 -6.5914 -6.3801 -6.3784 -6.3476 -6.3473 -6.2236 -6.2219 1.1348 1.1369 1.2719 1.2724 1.2869 1.2880 2.2109 2.2123 2.3115 2.3127 2.3853 2.3891 2.4087 2.4093 2.4291 2.4322 2.6218 2.6241 2.7375 2.7388 3.0116 3.0121 3.0435 3.0435 3.8007 3.8010 4.0705 4.0810 4.1145 4.1217 4.1638 4.1657 4.2833 4.2843 4.3059 4.3216 4.3262 4.3345 4.6892 4.6892 4.7190 4.7314 4.7626 4.7778 4.8582 4.8613 4.8794 4.8934 5.4725 5.4788 5.4859 5.4867 6.0889 6.0902 8.4715 8.4733 8.4832 8.4884 8.5514 8.5522 9.2027 9.2065 9.2077 9.2108 11.1919 11.1932 11.2069 11.2069 k = 0.4756 0.4756-0.0000 ( 6276 PWs) bands (ev): -48.6168 -48.6168 -26.2906 -26.2906 -24.2237 -24.2237 -24.2212 -24.2212 -6.5964 -6.5961 -6.3793 -6.3760 -6.3464 -6.3457 -6.2227 -6.2193 1.1266 1.1305 1.2707 1.2721 1.2926 1.2945 2.2096 2.2125 2.3108 2.3130 2.3618 2.3662 2.4100 2.4115 2.4476 2.4505 2.6209 2.6257 2.7370 2.7396 3.0165 3.0167 3.0482 3.0491 3.8001 3.8008 4.0641 4.0845 4.1114 4.1261 4.1627 4.1666 4.2821 4.2843 4.2967 4.3210 4.3251 4.3479 4.6790 4.6827 4.7213 4.7413 4.7536 4.7809 4.8588 4.8651 4.8788 4.9048 5.4702 5.4821 5.4879 5.4888 6.0827 6.0852 8.4688 8.4724 8.4785 8.4888 8.5502 8.5517 9.1944 9.2039 9.2062 9.2105 11.1676 11.1703 11.2218 11.2221 k = 0.4634 0.4634-0.0000 ( 6280 PWs) bands (ev): -48.6168 -48.6168 -26.2906 -26.2906 -24.2237 -24.2237 -24.2212 -24.2212 -6.6041 -6.6038 -6.3774 -6.3727 -6.3443 -6.3433 -6.2208 -6.2158 1.1152 1.1205 1.2659 1.2676 1.3047 1.3067 2.2081 2.2123 2.3098 2.3133 2.3377 2.3426 2.4125 2.4150 2.4620 2.4652 2.6218 2.6295 2.7366 2.7406 3.0226 3.0242 3.0564 3.0593 3.7994 3.8004 4.0575 4.0866 4.1085 4.1307 4.1615 4.1673 4.2798 4.2841 4.2898 4.3182 4.3240 4.3638 4.6660 4.6747 4.7256 4.7405 4.7549 4.7803 4.8607 4.8704 4.8829 4.9183 5.4686 5.4848 5.4919 5.4921 6.0729 6.0766 8.4647 8.4701 8.4724 8.4879 8.5487 8.5510 9.1835 9.1996 9.2034 9.2077 11.1315 11.1350 11.2466 11.2472 k = 0.4512 0.4512-0.0000 ( 6296 PWs) bands (ev): -48.6169 -48.6169 -26.2906 -26.2906 -24.2237 -24.2237 -24.2212 -24.2212 -6.6145 -6.6142 -6.3746 -6.3688 -6.3414 -6.3399 -6.2179 -6.2114 1.1016 1.1080 1.2580 1.2599 1.3212 1.3229 2.2062 2.2118 2.3079 2.3133 2.3142 2.3185 2.4163 2.4197 2.4711 2.4747 2.6266 2.6373 2.7363 2.7417 3.0291 3.0332 3.0682 3.0740 3.7985 3.7996 4.0508 4.0875 4.1055 4.1350 4.1602 4.1678 4.2756 4.2835 4.2855 4.3142 4.3238 4.3811 4.6520 4.6658 4.7302 4.7312 4.7641 4.7765 4.8640 4.8770 4.8912 4.9332 5.4676 5.4876 5.4958 5.4976 6.0598 6.0646 8.4591 8.4643 8.4667 8.4857 8.5474 8.5503 9.1699 9.1936 9.1993 9.2025 11.0868 11.0908 11.2804 11.2816 k = 0.4390 0.4390-0.0000 ( 6292 PWs) bands (ev): -48.6168 -48.6168 -26.2905 -26.2905 -24.2236 -24.2236 -24.2212 -24.2212 -6.6271 -6.6269 -6.3710 -6.3644 -6.3379 -6.3358 -6.2140 -6.2063 1.0866 1.0938 1.2475 1.2496 1.3405 1.3419 2.2041 2.2109 2.2876 2.2940 2.3088 2.3134 2.4212 2.4256 2.4744 2.4784 2.6369 2.6503 2.7363 2.7431 3.0362 3.0429 3.0836 3.0925 3.7974 3.7986 4.0444 4.0877 4.1024 4.1386 4.1589 4.1679 4.2708 4.2824 4.2825 4.3094 4.3255 4.3997 4.6377 4.6560 4.7222 4.7345 4.7706 4.7727 4.8684 4.8847 4.9026 4.9494 5.4673 5.4912 5.5005 5.5036 6.0440 6.0498 8.4519 8.4555 8.4613 8.4821 8.5467 8.5500 9.1539 9.1853 9.1937 9.1955 11.0359 11.0402 11.3224 11.3242 k = 0.4268 0.4268-0.0000 ( 6300 PWs) bands (ev): -48.6169 -48.6169 -26.2905 -26.2905 -24.2236 -24.2236 -24.2211 -24.2211 -6.6416 -6.6415 -6.3668 -6.3595 -6.3336 -6.3309 -6.2094 -6.2006 1.0706 1.0783 1.2346 1.2369 1.3620 1.3628 2.2018 2.2098 2.2626 2.2691 2.3079 2.3134 2.4271 2.4326 2.4728 2.4768 2.6525 2.6685 2.7364 2.7447 3.0438 3.0530 3.1021 3.1136 3.7961 3.7973 4.0383 4.0873 4.0992 4.1411 4.1573 4.1673 4.2665 4.2790 4.2803 4.3046 4.3299 4.4192 4.6234 4.6455 4.7139 4.7382 4.7635 4.7799 4.8740 4.8932 4.9162 4.9666 5.4675 5.4958 5.5059 5.5099 6.0258 6.0324 8.4433 8.4452 8.4543 8.4770 8.5467 8.5503 9.1357 9.1743 9.1866 9.1871 10.9802 10.9846 11.3714 11.3740 k = 0.4146 0.4146-0.0000 ( 6304 PWs) bands (ev): -48.6169 -48.6169 -26.2905 -26.2905 -24.2235 -24.2235 -24.2211 -24.2211 -6.6577 -6.6577 -6.3619 -6.3543 -6.3288 -6.3255 -6.2043 -6.1945 1.0537 1.0620 1.2196 1.2221 1.3851 1.3854 2.1993 2.2084 2.2371 2.2438 2.3074 2.3133 2.4341 2.4408 2.4680 2.4718 2.6724 2.6909 2.7368 2.7466 3.0523 3.0634 3.1227 3.1367 3.7946 3.7956 4.0325 4.0866 4.0960 4.1425 4.1554 4.1654 4.2629 4.2748 4.2766 4.3008 4.3376 4.4395 4.6092 4.6343 4.7067 4.7412 4.7560 4.7856 4.8806 4.9024 4.9313 4.9845 5.4680 5.5013 5.5120 5.5159 6.0059 6.0132 8.4335 8.4338 8.4458 8.4705 8.5476 8.5515 9.1155 9.1608 9.1774 9.1780 10.9206 10.9251 11.4260 11.4297 k = 0.4024 0.4024-0.0000 ( 6308 PWs) bands (ev): -48.6169 -48.6169 -26.2904 -26.2904 -24.2234 -24.2234 -24.2211 -24.2211 -6.6753 -6.6752 -6.3565 -6.3486 -6.3234 -6.3195 -6.1987 -6.1882 1.0362 1.0447 1.2025 1.2053 1.4094 1.4097 2.1966 2.2066 2.2115 2.2180 2.3072 2.3132 2.4421 2.4498 2.4618 2.4651 2.6955 2.7162 2.7375 2.7489 3.0614 3.0742 3.1448 3.1609 3.7931 3.7937 4.0270 4.0860 4.0928 4.1429 4.1530 4.1620 4.2603 4.2699 4.2710 4.2985 4.3482 4.4605 4.5952 4.6226 4.7005 4.7422 4.7496 4.7897 4.8881 4.9120 4.9476 5.0029 5.4686 5.5080 5.5186 5.5211 5.9850 5.9928 8.4214 8.4227 8.4360 8.4626 8.5495 8.5534 9.0936 9.1448 9.1664 9.1677 10.8578 10.8623 11.4847 11.4898 k = 0.3902 0.3902-0.0000 ( 6308 PWs) bands (ev): -48.6169 -48.6169 -26.2904 -26.2904 -24.2233 -24.2233 -24.2211 -24.2211 -6.6940 -6.6938 -6.3506 -6.3426 -6.3175 -6.3131 -6.1928 -6.1817 1.0180 1.0268 1.1835 1.1865 1.4346 1.4354 2.1851 2.1904 2.1952 2.2050 2.3072 2.3129 2.4510 2.4556 2.4556 2.4625 2.7201 2.7391 2.7437 2.7515 3.0713 3.0855 3.1678 3.1858 3.7913 3.7914 4.0217 4.0856 4.0898 4.1424 4.1499 4.1567 4.2588 4.2639 4.2650 4.2978 4.3614 4.4820 4.5815 4.6106 4.6952 4.7373 4.7485 4.7923 4.8963 4.9217 4.9650 5.0218 5.4687 5.5160 5.5251 5.5258 5.9639 5.9721 8.4082 8.4113 8.4254 8.4535 8.5520 8.5561 9.0701 9.1267 9.1538 9.1556 10.7923 10.7967 11.5459 11.5524 k = 0.3780 0.3780-0.0000 ( 6306 PWs) bands (ev): -48.6169 -48.6169 -26.2904 -26.2904 -24.2232 -24.2232 -24.2210 -24.2210 -6.7135 -6.7133 -6.3443 -6.3361 -6.3111 -6.3063 -6.1868 -6.1752 0.9991 1.0081 1.1628 1.1659 1.4607 1.4621 2.1587 2.1647 2.1914 2.2031 2.3073 2.3124 2.4499 2.4503 2.4614 2.4727 2.7370 2.7504 2.7542 2.7728 3.0818 3.0971 3.1911 3.2109 3.7887 3.7894 4.0166 4.0855 4.0872 4.1409 4.1458 4.1498 4.2564 4.2583 4.2606 4.2983 4.3767 4.5037 4.5682 4.5984 4.6906 4.7293 4.7499 4.7934 4.9052 4.9313 4.9835 5.0410 5.4678 5.5248 5.5275 5.5336 5.9435 5.9519 8.3943 8.3995 8.4141 8.4434 8.5552 8.5594 9.0454 9.1065 9.1396 9.1418 10.7243 10.7286 11.6076 11.6157 k = 0.3659 0.3659-0.0000 ( 6302 PWs) bands (ev): -48.6169 -48.6169 -26.2903 -26.2903 -24.2231 -24.2231 -24.2210 -24.2210 -6.7338 -6.7334 -6.3375 -6.3293 -6.3043 -6.2992 -6.1807 -6.1689 0.9796 0.9886 1.1404 1.1437 1.4877 1.4896 2.1321 2.1379 2.1885 2.2010 2.3073 2.3114 2.4456 2.4463 2.4723 2.4849 2.7399 2.7575 2.7771 2.8028 3.0928 3.1091 3.2145 3.2358 3.7857 3.7873 4.0117 4.0850 4.0859 4.1361 4.1404 4.1438 4.2492 4.2561 4.2595 4.2997 4.3935 4.5252 4.5557 4.5863 4.6865 4.7207 4.7514 4.7931 4.9144 4.9403 5.0030 5.0604 5.4650 5.5262 5.5360 5.5422 5.9247 5.9332 8.3799 8.3876 8.4027 8.4323 8.5587 8.5630 9.0195 9.0847 9.1238 9.1262 10.6541 10.6584 11.6680 11.6777 k = 0.3537 0.3537-0.0000 ( 6306 PWs) bands (ev): -48.6169 -48.6169 -26.2903 -26.2902 -24.2230 -24.2230 -24.2209 -24.2209 -6.7545 -6.7542 -6.3303 -6.3220 -6.2971 -6.2918 -6.1748 -6.1627 0.9595 0.9685 1.1165 1.1199 1.5154 1.5177 2.1055 2.1108 2.1857 2.1988 2.3068 2.3097 2.4429 2.4451 2.4842 2.4982 2.7421 2.7610 2.8058 2.8336 3.1042 3.1214 3.2376 3.2604 3.7824 3.7849 4.0069 4.0832 4.0868 4.1257 4.1333 4.1412 4.2432 4.2528 4.2613 4.3018 4.4114 4.5383 4.5519 4.5742 4.6828 4.7117 4.7529 4.7918 4.9238 4.9486 5.0236 5.0802 5.4596 5.5223 5.5478 5.5519 5.9083 5.9168 8.3652 8.3757 8.3912 8.4206 8.5625 8.5669 8.9926 9.0612 9.1061 9.1086 10.5820 10.5862 11.7252 11.7364 k = 0.3415 0.3415-0.0000 ( 6316 PWs) bands (ev): -48.6170 -48.6170 -26.2902 -26.2902 -24.2229 -24.2229 -24.2209 -24.2209 -6.7757 -6.7753 -6.3228 -6.3145 -6.2896 -6.2841 -6.1690 -6.1568 0.9389 0.9477 1.0913 1.0949 1.5436 1.5463 2.0789 2.0838 2.1828 2.1965 2.3056 2.3071 2.4430 2.4466 2.4969 2.5123 2.7444 2.7649 2.8353 2.8649 3.1160 3.1338 3.2601 3.2842 3.7787 3.7822 4.0025 4.0815 4.0884 4.1125 4.1247 4.1396 4.2389 4.2501 4.2643 4.3044 4.4300 4.5283 4.5624 4.5714 4.6792 4.7023 4.7544 4.7896 4.9330 4.9562 5.0454 5.1002 5.4508 5.5143 5.5610 5.5630 5.8949 5.9036 8.3504 8.3642 8.3800 8.4085 8.5663 8.5708 8.9649 9.0363 9.0868 9.0892 10.5083 10.5122 11.7775 11.7899 k = 0.3293 0.3293-0.0000 ( 6320 PWs) bands (ev): -48.6170 -48.6170 -26.2901 -26.2901 -24.2228 -24.2228 -24.2209 -24.2209 -6.7971 -6.7966 -6.3149 -6.3066 -6.2818 -6.2761 -6.1634 -6.1512 0.9177 0.9264 1.0650 1.0686 1.5721 1.5752 2.0527 2.0570 2.1800 2.1942 2.3033 2.3035 2.4462 2.4509 2.5104 2.5272 2.7471 2.7690 2.8653 2.8965 3.1279 3.1463 3.2819 3.3072 3.7748 3.7792 3.9985 4.0794 4.0906 4.0977 4.1152 4.1385 4.2364 4.2481 4.2684 4.3076 4.4490 4.5164 4.5510 4.5927 4.6755 4.6925 4.7561 4.7869 4.9420 4.9627 5.0685 5.1207 5.4383 5.5022 5.5754 5.5756 5.8850 5.8940 8.3355 8.3530 8.3693 8.3961 8.5699 8.5745 8.9366 9.0102 9.0657 9.0679 10.4330 10.4368 11.8235 11.8368 k = 0.3171 0.3171-0.0000 ( 6304 PWs) bands (ev): -48.6169 -48.6169 -26.2901 -26.2901 -24.2226 -24.2226 -24.2208 -24.2208 -6.8186 -6.8182 -6.3067 -6.2983 -6.2737 -6.2679 -6.1581 -6.1459 0.8960 0.9045 1.0376 1.0413 1.6008 1.6041 2.0270 2.0307 2.1772 2.1919 2.2990 2.2998 2.4527 2.4582 2.5247 2.5429 2.7502 2.7734 2.8957 2.9284 3.1400 3.1589 3.3029 3.3291 3.7705 3.7757 3.9951 4.0754 4.0811 4.0939 4.1066 4.1379 4.2359 4.2469 4.2733 4.3112 4.4678 4.5047 4.5403 4.6140 4.6716 4.6824 4.7582 4.7841 4.9505 4.9684 5.0928 5.1419 5.4221 5.4859 5.5894 5.5913 5.8787 5.8880 8.3209 8.3423 8.3591 8.3837 8.5733 8.5780 8.9077 8.9829 9.0429 9.0449 10.3564 10.3600 11.8624 11.8759 k = 0.3049 0.3049-0.0000 ( 6314 PWs) bands (ev): -48.6170 -48.6170 -26.2900 -26.2900 -24.2225 -24.2225 -24.2208 -24.2208 -6.8401 -6.8397 -6.2982 -6.2898 -6.2653 -6.2596 -6.1532 -6.1411 0.8740 0.8822 1.0094 1.0132 1.6293 1.6328 2.0020 2.0050 2.1745 2.1895 2.2936 2.2952 2.4622 2.4681 2.5396 2.5592 2.7536 2.7781 2.9264 2.9603 3.1521 3.1713 3.3229 3.3497 3.7658 3.7717 3.9923 4.0637 4.0671 4.0977 4.1015 4.1378 4.2372 4.2463 4.2790 4.3151 4.4853 4.4933 4.5311 4.6347 4.6670 4.6718 4.7606 4.7814 4.9584 4.9730 5.1185 5.1638 5.4024 5.4659 5.6047 5.6081 5.8755 5.8853 8.3066 8.3322 8.3497 8.3716 8.5762 8.5810 8.8784 8.9546 9.0186 9.0202 10.2786 10.2821 11.8940 11.9070 k = 0.2927 0.2927-0.0000 ( 6316 PWs) bands (ev): -48.6170 -48.6170 -26.2899 -26.2899 -24.2223 -24.2223 -24.2207 -24.2207 -6.8616 -6.8612 -6.2895 -6.2811 -6.2567 -6.2510 -6.1485 -6.1366 0.8517 0.8595 0.9806 0.9844 1.6573 1.6608 1.9781 1.9804 2.1718 2.1872 2.2874 2.2895 2.4745 2.4804 2.5551 2.5760 2.7573 2.7829 2.9573 2.9921 3.1642 3.1838 3.3417 3.3690 3.7608 3.7670 3.9901 4.0454 4.0547 4.1002 4.1021 4.1386 4.2401 4.2464 4.2854 4.3194 4.4824 4.4979 4.5271 4.6543 4.6613 4.6617 4.7635 4.7792 4.9654 4.9767 5.1455 5.1868 5.3798 5.4427 5.6212 5.6258 5.8753 5.8856 8.2928 8.3225 8.3410 8.3599 8.5785 8.5834 8.8487 8.9254 8.9928 8.9938 10.1997 10.2031 11.9186 11.9298 k = 0.2805 0.2805-0.0000 ( 6338 PWs) bands (ev): -48.6171 -48.6171 -26.2899 -26.2899 -24.2222 -24.2222 -24.2207 -24.2207 -6.8829 -6.8824 -6.2806 -6.2723 -6.2479 -6.2424 -6.1442 -6.1326 0.8291 0.8366 0.9513 0.9550 1.6844 1.6877 1.9558 1.9571 2.1691 2.1848 2.2806 2.2830 2.4893 2.4949 2.5711 2.5933 2.7613 2.7879 2.9882 3.0237 3.1763 3.1960 3.3593 3.3868 3.7554 3.7615 3.9877 4.0262 4.0409 4.1014 4.1071 4.1404 4.2444 4.2470 4.2925 4.3238 4.4719 4.4980 4.5355 4.6493 4.6556 4.6741 4.7670 4.7779 4.9716 4.9795 5.1739 5.2108 5.3551 5.4171 5.6386 5.6442 5.8772 5.8880 8.2795 8.3132 8.3332 8.3490 8.5800 8.5850 8.8189 8.8955 8.9656 8.9661 10.1199 10.1231 11.9369 11.9427 k = 0.2683 0.2683-0.0000 ( 6310 PWs) bands (ev): -48.6170 -48.6170 -26.2898 -26.2898 -24.2220 -24.2220 -24.2206 -24.2206 -6.9039 -6.9035 -6.2716 -6.2633 -6.2390 -6.2336 -6.1402 -6.1289 0.8065 0.8136 0.9216 0.9254 1.7098 1.7126 1.9359 1.9361 2.1666 2.1824 2.2734 2.2759 2.5062 2.5112 2.5877 2.6110 2.7657 2.7930 3.0190 3.0550 3.1884 3.2082 3.3755 3.4031 3.7497 3.7552 3.9832 4.0063 4.0292 4.1041 4.1126 4.1436 4.2484 4.2501 4.3001 4.3285 4.4621 4.4910 4.5508 4.6378 4.6489 4.6922 4.7712 4.7776 4.9770 4.9818 5.2037 5.2360 5.3291 5.3899 5.6569 5.6633 5.8810 5.8920 8.2671 8.3043 8.3263 8.3393 8.5806 8.5857 8.7889 8.8651 8.9371 8.9374 10.0392 10.0424 11.9498 11.9498 k = 0.2561 0.2561-0.0000 ( 6298 PWs) bands (ev): -48.6169 -48.6169 -26.2897 -26.2897 -24.2219 -24.2219 -24.2206 -24.2205 -6.9245 -6.9241 -6.2624 -6.2542 -6.2300 -6.2248 -6.1366 -6.1256 0.7839 0.7907 0.8918 0.8956 1.7323 1.7343 1.9183 1.9197 2.1642 2.1801 2.2658 2.2682 2.5248 2.5291 2.6046 2.6290 2.7704 2.7983 3.0497 3.0857 3.2004 3.2202 3.3904 3.4177 3.7436 3.7481 3.9732 3.9858 4.0235 4.1077 4.1183 4.1484 4.2503 4.2570 4.3082 4.3332 4.4529 4.4825 4.5667 4.6261 4.6420 4.7089 4.7764 4.7784 4.9816 4.9834 5.2348 5.2611 5.3036 5.3617 5.6756 5.6827 5.8858 5.8970 8.2554 8.2955 8.3203 8.3308 8.5801 8.5852 8.7591 8.8342 8.9071 8.9082 9.9579 9.9610 11.9564 11.9586 k = 0.2439 0.2439-0.0000 ( 6298 PWs) bands (ev): -48.6170 -48.6170 -26.2896 -26.2896 -24.2217 -24.2217 -24.2205 -24.2205 -6.9447 -6.9443 -6.2533 -6.2451 -6.2209 -6.2160 -6.1333 -6.1227 0.7615 0.7678 0.8621 0.8657 1.7499 1.7506 1.9058 1.9091 2.1619 2.1778 2.2580 2.2603 2.5447 2.5481 2.6217 2.6471 2.7753 2.8035 3.0801 3.1159 3.2123 3.2321 3.4039 3.4307 3.7370 3.7401 3.9572 3.9648 4.0247 4.1119 4.1239 4.1551 4.2527 4.2650 4.3167 4.3376 4.4446 4.4739 4.5805 4.6142 4.6363 4.7241 4.7804 4.7826 4.9845 4.9853 5.2664 5.2665 5.2989 5.3337 5.6945 5.7022 5.8914 5.9025 8.2446 8.2869 8.3152 8.3238 8.5784 8.5835 8.7294 8.8030 8.8762 8.8782 9.8759 9.8790 11.9638 11.9662 k = 0.2317 0.2317-0.0000 ( 6308 PWs) bands (ev): -48.6170 -48.6170 -26.2896 -26.2896 -24.2216 -24.2216 -24.2205 -24.2204 -6.9644 -6.9641 -6.2441 -6.2361 -6.2118 -6.2072 -6.1303 -6.1202 0.7393 0.7452 0.8325 0.8361 1.7591 1.7600 1.9011 1.9064 2.1597 2.1755 2.2501 2.2521 2.5656 2.5681 2.6390 2.6652 2.7803 2.8088 3.1100 3.1452 3.2243 3.2438 3.4159 3.4420 3.7299 3.7312 3.9376 3.9432 4.0306 4.1167 4.1293 4.1637 4.2556 4.2738 4.3254 4.3416 4.4372 4.4655 4.5886 4.6023 4.6353 4.7375 4.7833 4.7901 4.9852 4.9883 5.2418 5.2891 5.3158 5.3258 5.7135 5.7217 5.8973 5.9082 8.2349 8.2785 8.3110 8.3183 8.5754 8.5803 8.7000 8.7718 8.8447 8.8477 9.7934 9.7965 11.9722 11.9723 k = 0.2195 0.2195-0.0000 ( 6320 PWs) bands (ev): -48.6171 -48.6171 -26.2895 -26.2895 -24.2215 -24.2214 -24.2204 -24.2204 -6.9835 -6.9832 -6.2350 -6.2272 -6.2028 -6.1985 -6.1275 -6.1180 0.7175 0.7230 0.8032 0.8068 1.7589 1.7609 1.9059 1.9127 2.1576 2.1733 2.2422 2.2438 2.5872 2.5888 2.6565 2.6832 2.7856 2.8140 3.1394 3.1737 3.2361 3.2554 3.4265 3.4517 3.7216 3.7224 3.9160 3.9212 4.0395 4.1220 4.1345 4.1741 4.2590 4.2835 4.3343 4.3448 4.4312 4.4575 4.5878 4.5904 4.6423 4.7487 4.7873 4.7993 4.9858 4.9905 5.2146 5.2693 5.3418 5.3571 5.7321 5.7408 5.9032 5.9136 8.2263 8.2706 8.3077 8.3142 8.5710 8.5756 8.6713 8.7407 8.8129 8.8170 9.7104 9.7137 11.9770 11.9803 k = 0.2073 0.2073-0.0000 ( 6326 PWs) bands (ev): -48.6171 -48.6171 -26.2894 -26.2894 -24.2213 -24.2213 -24.2204 -24.2204 -7.0019 -7.0017 -6.2260 -6.2184 -6.1939 -6.1898 -6.1251 -6.1161 0.6962 0.7014 0.7745 0.7780 1.7515 1.7540 1.9185 1.9262 2.1555 2.1711 2.2342 2.2355 2.6093 2.6099 2.6738 2.7010 2.7911 2.8192 3.1680 3.2013 3.2481 3.2670 3.4358 3.4599 3.7114 3.7143 3.8935 3.8989 4.0507 4.1278 4.1397 4.1861 4.2628 4.2939 4.3433 4.3471 4.4269 4.4499 4.5787 4.5806 4.6551 4.7581 4.7920 4.8097 4.9863 4.9923 5.1875 5.2413 5.3776 5.3904 5.7503 5.7595 5.9089 5.9187 8.2188 8.2632 8.3053 8.3114 8.5651 8.5692 8.6435 8.7101 8.7810 8.7862 9.6273 9.6306 11.9813 11.9838 k = 0.1951 0.1951-0.0000 ( 6330 PWs) bands (ev): -48.6171 -48.6171 -26.2894 -26.2894 -24.2212 -24.2212 -24.2203 -24.2203 -7.0196 -7.0194 -6.2172 -6.2099 -6.1851 -6.1814 -6.1228 -6.1145 0.6755 0.6803 0.7465 0.7498 1.7399 1.7423 1.9360 1.9440 2.1537 2.1690 2.2264 2.2273 2.6313 2.6316 2.6911 2.7184 2.7966 2.8242 3.1959 3.2276 3.2602 3.2786 3.4438 3.4668 3.7006 3.7056 3.8702 3.8763 4.0635 4.1342 4.1449 4.1995 4.2672 4.3049 4.3480 4.3522 4.4244 4.4427 4.5670 4.5705 4.6704 4.7661 4.7975 4.8211 4.9868 4.9935 5.1612 5.2131 5.4153 5.4254 5.7677 5.7775 5.9142 5.9232 8.2127 8.2567 8.3037 8.3097 8.5575 8.5607 8.6171 8.6801 8.7493 8.7557 9.5440 9.5475 11.9857 11.9869 k = 0.1829 0.1829-0.0000 ( 6318 PWs) bands (ev): -48.6171 -48.6171 -26.2893 -26.2893 -24.2210 -24.2210 -24.2203 -24.2203 -7.0366 -7.0364 -6.2086 -6.2017 -6.1765 -6.1731 -6.1208 -6.1131 0.6556 0.6600 0.7193 0.7225 1.7262 1.7283 1.9558 1.9638 2.1519 2.1670 2.2187 2.2192 2.6526 2.6538 2.7081 2.7353 2.8023 2.8291 3.2228 3.2528 3.2725 3.2904 3.4506 3.4723 3.6893 3.6965 3.8466 3.8534 4.0775 4.1412 4.1502 4.2140 4.2720 4.3162 4.3474 4.3609 4.4239 4.4361 4.5557 4.5592 4.6867 4.7730 4.8037 4.8330 4.9873 4.9941 5.1361 5.1855 5.4544 5.4617 5.7843 5.7945 5.9191 5.9271 8.2081 8.2512 8.3030 8.3091 8.5484 8.5498 8.5926 8.6510 8.7179 8.7256 9.4607 9.4645 11.9907 11.9908 k = 0.1707 0.1707-0.0000 ( 6320 PWs) bands (ev): -48.6171 -48.6171 -26.2892 -26.2892 -24.2209 -24.2209 -24.2202 -24.2202 -7.0527 -7.0525 -6.2003 -6.1938 -6.1682 -6.1651 -6.1189 -6.1120 0.6364 0.6404 0.6931 0.6961 1.7117 1.7135 1.9765 1.9843 2.1502 2.1650 2.2113 2.2114 2.6736 2.6757 2.7248 2.7515 2.8081 2.8338 3.2485 3.2765 3.2851 3.3025 3.4563 3.4767 3.6777 3.6869 3.8227 3.8304 4.0922 4.1489 4.1556 4.2291 4.2771 4.3276 4.3455 4.3692 4.4253 4.4299 4.5445 4.5474 4.7034 4.7791 4.8102 4.8451 4.9878 4.9942 5.1123 5.1588 5.4943 5.4992 5.7998 5.8105 5.9235 5.9304 8.2049 8.2470 8.3029 8.3094 8.5358 8.5376 8.5711 8.6231 8.6871 8.6962 9.3778 9.3817 11.9954 11.9967 k = 0.1585 0.1585-0.0000 ( 6312 PWs) bands (ev): -48.6171 -48.6171 -26.2892 -26.2892 -24.2208 -24.2207 -24.2202 -24.2202 -7.0679 -7.0678 -6.1924 -6.1864 -6.1602 -6.1574 -6.1171 -6.1110 0.6182 0.6219 0.6680 0.6709 1.6971 1.6987 1.9970 2.0046 2.1487 2.1630 2.2038 2.2042 2.6942 2.6971 2.7411 2.7670 2.8139 2.8383 3.2730 3.2983 3.2983 3.3152 3.4611 3.4800 3.6658 3.6768 3.7986 3.8073 4.1071 4.1574 4.1610 4.2447 4.2826 4.3388 4.3427 4.3768 4.4244 4.4281 4.5336 4.5354 4.7203 4.7849 4.8173 4.8572 4.9884 4.9935 5.0903 5.1332 5.5348 5.5376 5.8140 5.8253 5.9274 5.9330 8.2035 8.2442 8.3036 8.3106 8.5185 8.5252 8.5527 8.5965 8.6572 8.6677 9.2955 9.2995 12.0012 12.0035 k = 0.1463 0.1463-0.0000 ( 6316 PWs) bands (ev): -48.6171 -48.6171 -26.2891 -26.2891 -24.2206 -24.2206 -24.2201 -24.2201 -7.0822 -7.0821 -6.1849 -6.1795 -6.1525 -6.1500 -6.1155 -6.1101 0.6010 0.6043 0.6442 0.6469 1.6830 1.6842 2.0169 2.0242 2.1472 2.1611 2.1967 2.1975 2.7140 2.7177 2.7569 2.7815 2.8199 2.8425 3.2958 3.3123 3.3174 3.3297 3.4650 3.4825 3.6538 3.6663 3.7746 3.7840 4.1217 4.1664 4.1670 4.2603 4.2884 4.3384 4.3504 4.3836 4.4194 4.4321 4.5229 4.5236 4.7371 4.7902 4.8246 4.8689 4.9889 4.9919 5.0706 5.1091 5.5755 5.5765 5.8267 5.8385 5.9309 5.9351 8.2038 8.2430 8.3050 8.3124 8.4994 8.5113 8.5367 8.5716 8.6282 8.6403 9.2140 9.2182 12.0082 12.0114 k = 0.1341 0.1341-0.0000 ( 6306 PWs) bands (ev): -48.6170 -48.6170 -26.2891 -26.2891 -24.2205 -24.2205 -24.2201 -24.2201 -7.0955 -7.0954 -6.1778 -6.1730 -6.1452 -6.1430 -6.1139 -6.1094 0.5848 0.5879 0.6218 0.6243 1.6695 1.6705 2.0359 2.0428 2.1459 2.1593 2.1900 2.1912 2.7329 2.7372 2.7722 2.7949 2.8259 2.8465 3.3160 3.3282 3.3330 3.3466 3.4682 3.4843 3.6418 3.6554 3.7507 3.7608 4.1356 4.1718 4.1778 4.2757 4.2945 4.3344 4.3611 4.3891 4.4153 4.4367 4.5124 4.5125 4.7536 4.7953 4.8323 4.8803 4.9888 4.9891 5.0540 5.0867 5.6156 5.6161 5.8380 5.8502 5.9340 5.9369 8.2062 8.2436 8.3069 8.3150 8.4799 8.4962 8.5217 8.5485 8.6004 8.6140 9.1337 9.1381 12.0164 12.0203 k = 0.1220 0.1220-0.0000 ( 6314 PWs) bands (ev): -48.6171 -48.6171 -26.2890 -26.2890 -24.2204 -24.2204 -24.2200 -24.2200 -7.1078 -7.1078 -6.1713 -6.1672 -6.1383 -6.1364 -6.1124 -6.1087 0.5699 0.5726 0.6008 0.6032 1.6568 1.6576 2.0537 2.0602 2.1446 2.1574 2.1838 2.1855 2.7507 2.7554 2.7868 2.8072 2.8322 2.8502 3.3331 3.3464 3.3468 3.3644 3.4708 3.4853 3.6297 3.6442 3.7270 3.7377 4.1483 4.1770 4.1899 4.2906 4.3006 4.3302 4.3712 4.3928 4.4122 4.4416 4.5017 4.5023 4.7692 4.8000 4.8404 4.8912 4.9837 4.9886 5.0411 5.0666 5.6542 5.6559 5.8476 5.8601 5.9368 5.9385 8.2107 8.2462 8.3095 8.3181 8.4611 8.4803 8.5071 8.5270 8.5739 8.5892 9.0551 9.0594 12.0256 12.0300 k = 0.1098 0.1098-0.0000 ( 6310 PWs) bands (ev): -48.6171 -48.6171 -26.2890 -26.2890 -24.2203 -24.2203 -24.2200 -24.2200 -7.1190 -7.1190 -6.1654 -6.1620 -6.1320 -6.1303 -6.1109 -6.1080 0.5561 0.5585 0.5816 0.5837 1.6452 1.6457 2.0700 2.0761 2.1434 2.1556 2.1784 2.1803 2.7670 2.7721 2.8007 2.8183 2.8385 2.8537 3.3487 3.3602 3.3654 3.3816 3.4729 3.4860 3.6177 3.6327 3.7036 3.7147 4.1597 4.1821 4.2032 4.3044 4.3070 4.3262 4.3805 4.3945 4.4104 4.4467 4.4922 4.4924 4.7834 4.8044 4.8492 4.9014 4.9765 4.9870 5.0323 5.0496 5.6920 5.6946 5.8557 5.8682 5.9396 5.9401 8.2175 8.2510 8.3127 8.3217 8.4436 8.4641 8.4927 8.5070 8.5488 8.5658 8.9785 8.9828 12.0357 12.0406 k = 0.0976 0.0976-0.0000 ( 6323 PWs) bands (ev): -48.6171 -48.6171 -26.2889 -26.2889 -24.2202 -24.2202 -24.2200 -24.2200 -7.1292 -7.1292 -6.1601 -6.1574 -6.1262 -6.1248 -6.1095 -6.1074 0.5437 0.5458 0.5640 0.5660 1.6346 1.6349 2.0849 2.0904 2.1423 2.1536 2.1737 2.1758 2.7818 2.7869 2.8138 2.8282 2.8450 2.8569 3.3641 3.3737 3.3839 3.3979 3.4746 3.4862 3.6059 3.6210 3.6806 3.6918 4.1699 4.1870 4.2171 4.3125 4.3177 4.3225 4.3888 4.3944 4.4093 4.4515 4.4828 4.4842 4.7954 4.8082 4.8588 4.9108 4.9680 4.9832 5.0270 5.0367 5.7282 5.7313 5.8621 5.8743 5.9421 5.9424 8.2268 8.2583 8.3165 8.3258 8.4277 8.4482 8.4787 8.4884 8.5254 8.5440 8.9044 8.9085 12.0465 12.0516 k = 0.0854 0.0854-0.0000 ( 6319 PWs) bands (ev): -48.6171 -48.6171 -26.2889 -26.2889 -24.2201 -24.2201 -24.2200 -24.2200 -7.1382 -7.1382 -6.1554 -6.1535 -6.1209 -6.1197 -6.1081 -6.1067 0.5326 0.5344 0.5484 0.5501 1.6250 1.6253 2.0981 2.1030 2.1412 2.1514 2.1700 2.1721 2.7949 2.7996 2.8260 2.8373 2.8513 2.8598 3.3796 3.3875 3.4016 3.4131 3.4760 3.4861 3.5944 3.6092 3.6581 3.6693 4.1791 4.1917 4.2314 4.3181 4.3194 4.3289 4.3938 4.3961 4.4078 4.4559 4.4734 4.4780 4.8047 4.8115 4.8694 4.9192 4.9594 4.9767 5.0242 5.0285 5.7621 5.7655 5.8671 5.8786 5.9446 5.9455 8.2388 8.2681 8.3209 8.3303 8.4135 8.4332 8.4654 8.4712 8.5036 8.5238 8.8333 8.8370 12.0576 12.0628 k = 0.0732 0.0732-0.0000 ( 6325 PWs) bands (ev): -48.6172 -48.6172 -26.2889 -26.2889 -24.2201 -24.2201 -24.2199 -24.2199 -7.1461 -7.1461 -6.1515 -6.1501 -6.1163 -6.1153 -6.1068 -6.1060 0.5229 0.5244 0.5346 0.5361 1.6167 1.6169 2.1094 2.1136 2.1402 2.1491 2.1674 2.1692 2.8061 2.8100 2.8372 2.8457 2.8572 2.8625 3.3955 3.4015 3.4183 3.4273 3.4773 3.4859 3.5832 3.5973 3.6361 3.6471 4.1872 4.1960 4.2457 4.3170 4.3228 4.3380 4.3935 4.4022 4.4055 4.4589 4.4652 4.4739 4.8111 4.8141 4.8809 4.9265 4.9517 4.9684 5.0229 5.0244 5.7929 5.7963 5.8709 5.8812 5.9477 5.9488 8.2536 8.2808 8.3258 8.3351 8.4012 8.4195 8.4531 8.4555 8.4836 8.5053 8.7657 8.7689 12.0688 12.0738 k = 0.0610 0.0610-0.0000 ( 6329 PWs) bands (ev): -48.6172 -48.6172 -26.2888 -26.2888 -24.2200 -24.2200 -24.2199 -24.2199 -7.1528 -7.1528 -6.1482 -6.1474 -6.1123 -6.1115 -6.1056 -6.1053 0.5147 0.5159 0.5228 0.5241 1.6096 1.6097 2.1189 2.1224 2.1393 2.1467 2.1658 2.1672 2.8154 2.8182 2.8473 2.8535 2.8623 2.8650 3.4114 3.4158 3.4339 3.4404 3.4785 3.4857 3.5724 3.5855 3.6148 3.6254 4.1944 4.1999 4.2598 4.3155 4.3262 4.3443 4.3940 4.4031 4.4071 4.4537 4.4648 4.4717 4.8150 4.8160 4.8927 4.9324 4.9455 4.9598 5.0225 5.0228 5.8198 5.8228 5.8736 5.8826 5.9516 5.9526 8.2712 8.2964 8.3314 8.3402 8.3908 8.4073 8.4415 8.4422 8.4657 8.4884 8.7020 8.7045 12.0795 12.0842 k = 0.0488 0.0488-0.0000 ( 6331 PWs) bands (ev): -48.6172 -48.6172 -26.2888 -26.2888 -24.2200 -24.2199 -24.2199 -24.2199 -7.1583 -7.1583 -6.1457 -6.1452 -6.1090 -6.1084 -6.1046 -6.1046 0.5079 0.5089 0.5132 0.5142 1.6037 1.6038 2.1263 2.1290 2.1385 2.1444 2.1651 2.1660 2.8227 2.8244 2.8559 2.8605 2.8666 2.8674 3.4272 3.4300 3.4486 3.4525 3.4799 3.4856 3.5623 3.5739 3.5945 3.6043 4.2003 4.2034 4.2734 4.3149 4.3281 4.3469 4.3951 4.4023 4.4107 4.4452 4.4673 4.4709 4.8169 4.8171 4.9041 4.9367 4.9408 4.9521 5.0226 5.0227 5.8420 5.8445 5.8756 5.8829 5.9561 5.9568 8.2915 8.3149 8.3374 8.3454 8.3823 8.3968 8.4299 8.4327 8.4505 8.4733 8.6427 8.6444 12.0894 12.0935 k = 0.0366 0.0366-0.0000 ( 6325 PWs) bands (ev): -48.6172 -48.6172 -26.2888 -26.2888 -24.2199 -24.2199 -24.2199 -24.2199 -7.1626 -7.1626 -6.1437 -6.1436 -6.1064 -6.1059 -6.1040 -6.1038 0.5026 0.5033 0.5056 0.5064 1.5991 1.5992 2.1317 2.1337 2.1380 2.1423 2.1652 2.1657 2.8282 2.8290 2.8630 2.8661 2.8695 2.8698 3.4421 3.4437 3.4622 3.4636 3.4817 3.4859 3.5531 3.5629 3.5753 3.5841 4.2049 4.2063 4.2865 4.3154 4.3283 4.3453 4.3968 4.4041 4.4130 4.4365 4.4694 4.4709 4.8175 4.8176 4.9145 4.9377 4.9393 4.9459 5.0229 5.0230 5.8590 5.8609 5.8771 5.8827 5.9608 5.9612 8.3138 8.3358 8.3439 8.3506 8.3755 8.3881 8.4218 8.4248 8.4391 8.4601 8.5883 8.5892 12.0979 12.1012 k = 0.0244 0.0244-0.0000 ( 6335 PWs) bands (ev): -48.6172 -48.6172 -26.2888 -26.2888 -24.2199 -24.2199 -24.2199 -24.2199 -7.1657 -7.1657 -6.1424 -6.1424 -6.1045 -6.1042 -6.1034 -6.1032 0.4989 0.4994 0.5002 0.5007 1.5959 1.5959 2.1353 2.1365 2.1377 2.1405 2.1657 2.1658 2.8319 2.8321 2.8683 2.8703 2.8713 2.8720 3.4545 3.4551 3.4739 3.4747 3.4842 3.4869 3.5454 3.5528 3.5581 3.5653 4.2082 4.2086 4.2990 4.3169 4.3269 4.3399 4.4004 4.4071 4.4141 4.4281 4.4708 4.4713 4.8176 4.8176 4.9234 4.9359 4.9397 4.9415 5.0234 5.0234 5.8708 5.8720 5.8782 5.8820 5.9652 5.9653 8.3363 8.3504 8.3554 8.3571 8.3703 8.3812 8.4191 8.4196 8.4328 8.4489 8.5395 8.5397 12.1046 12.1069 k = 0.0122 0.0122-0.0000 ( 6355 PWs) bands (ev): -48.6173 -48.6173 -26.2888 -26.2888 -24.2199 -24.2199 -24.2199 -24.2199 -7.1676 -7.1676 -6.1417 -6.1417 -6.1033 -6.1031 -6.1030 -6.1029 0.4966 0.4969 0.4970 0.4973 1.5939 1.5939 2.1372 2.1378 2.1379 2.1391 2.1661 2.1661 2.8340 2.8340 2.8717 2.8726 2.8727 2.8731 3.4623 3.4624 3.4835 3.4852 3.4873 3.4886 3.5405 3.5447 3.5449 3.5495 4.2101 4.2101 4.3108 4.3191 4.3246 4.3317 4.4057 4.4100 4.4138 4.4200 4.4716 4.4717 4.8175 4.8175 4.9306 4.9353 4.9376 4.9392 5.0237 5.0238 5.8777 5.8783 5.8792 5.8811 5.9682 5.9683 8.3543 8.3566 8.3598 8.3658 8.3719 8.3762 8.4234 8.4253 8.4314 8.4401 8.4982 8.4983 12.1090 12.1104 k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -48.6173 -48.6173 -26.2888 -26.2888 -24.2199 -24.2199 -24.2199 -24.2199 -7.1682 -7.1682 -6.1414 -6.1414 -6.1028 -6.1028 -6.1028 -6.1028 0.4960 0.4960 0.4960 0.4960 1.5932 1.5932 2.1382 2.1382 2.1382 2.1382 2.1663 2.1663 2.8346 2.8346 2.8732 2.8732 2.8732 2.8732 3.4647 3.4647 3.4892 3.4892 3.4892 3.4892 3.5406 3.5406 3.5406 3.5406 4.2107 4.2107 4.3218 4.3218 4.3218 4.3218 4.4124 4.4124 4.4124 4.4124 4.4719 4.4719 4.8174 4.8174 4.9359 4.9359 4.9359 4.9359 5.0239 5.0239 5.8801 5.8801 5.8801 5.8801 5.9693 5.9693 8.3617 8.3617 8.3617 8.3617 8.3746 8.3746 8.4341 8.4341 8.4341 8.4341 8.4764 8.4764 12.1110 12.1110 k = 0.0000 0.0000 0.0000 ( 6355 PWs) bands (ev): -48.6173 -48.6173 -26.2888 -26.2888 -24.2199 -24.2199 -24.2199 -24.2199 -7.1682 -7.1682 -6.1414 -6.1414 -6.1028 -6.1028 -6.1028 -6.1028 0.4960 0.4960 0.4960 0.4960 1.5932 1.5932 2.1382 2.1382 2.1382 2.1382 2.1663 2.1663 2.8346 2.8346 2.8732 2.8732 2.8732 2.8732 3.4647 3.4647 3.4892 3.4892 3.4892 3.4892 3.5406 3.5406 3.5406 3.5406 4.2107 4.2107 4.3218 4.3218 4.3218 4.3218 4.4124 4.4124 4.4124 4.4124 4.4719 4.4719 4.8174 4.8174 4.9359 4.9359 4.9359 4.9359 5.0239 5.0239 5.8801 5.8801 5.8801 5.8801 5.9693 5.9693 8.3617 8.3617 8.3617 8.3617 8.3746 8.3746 8.4341 8.4341 8.4341 8.4341 8.4764 8.4764 12.1110 12.1110 k = 0.0100 0.0100 0.0100 ( 6355 PWs) bands (ev): -48.6173 -48.6173 -26.2888 -26.2888 -24.2199 -24.2199 -24.2199 -24.2199 -7.1676 -7.1676 -6.1417 -6.1417 -6.1032 -6.1031 -6.1031 -6.1030 0.4968 0.4970 0.4970 0.4972 1.5939 1.5939 2.1375 2.1377 2.1377 2.1391 2.1661 2.1661 2.8340 2.8340 2.8717 2.8727 2.8727 2.8730 3.4624 3.4624 3.4838 3.4861 3.4871 3.4871 3.5418 3.5446 3.5446 3.5490 4.2101 4.2101 4.3103 4.3219 4.3219 4.3320 4.4056 4.4118 4.4118 4.4203 4.4716 4.4716 4.8175 4.8175 4.9303 4.9366 4.9366 4.9392 5.0237 5.0237 5.8779 5.8779 5.8792 5.8812 5.9682 5.9682 8.3568 8.3569 8.3569 8.3660 8.3739 8.3739 8.4243 8.4243 8.4312 8.4407 8.4984 8.4984 12.1100 12.1110 k = 0.0200 0.0200 0.0200 ( 6334 PWs) bands (ev): -48.6172 -48.6172 -26.2888 -26.2888 -24.2199 -24.2199 -24.2199 -24.2199 -7.1657 -7.1657 -6.1424 -6.1424 -6.1041 -6.1038 -6.1038 -6.1037 0.4994 0.4998 0.4998 0.5002 1.5959 1.5959 2.1362 2.1362 2.1373 2.1405 2.1657 2.1657 2.8320 2.8320 2.8685 2.8709 2.8712 2.8712 3.4559 3.4559 3.4741 3.4760 3.4825 3.4825 3.5513 3.5549 3.5549 3.5629 4.2084 4.2084 4.2981 4.3221 4.3221 4.3403 4.4006 4.4102 4.4102 4.4288 4.4710 4.4710 4.8176 4.8176 4.9226 4.9388 4.9388 4.9403 5.0234 5.0234 5.8710 5.8710 5.8784 5.8824 5.9653 5.9653 8.3441 8.3441 8.3522 8.3689 8.3689 8.3691 8.4203 8.4203 8.4329 8.4503 8.5399 8.5399 12.1081 12.1100 k = 0.0300 0.0300 0.0300 ( 6331 PWs) bands (ev): -48.6172 -48.6172 -26.2888 -26.2888 -24.2199 -24.2199 -24.2199 -24.2199 -7.1626 -7.1626 -6.1436 -6.1436 -6.1055 -6.1049 -6.1049 -6.1048 0.5040 0.5045 0.5045 0.5052 1.5992 1.5992 2.1333 2.1333 2.1373 2.1421 2.1652 2.1652 2.8287 2.8287 2.8635 2.8671 2.8686 2.8686 3.4464 3.4464 3.4630 3.4632 3.4771 3.4771 3.5649 3.5685 3.5685 3.5793 4.2057 4.2057 4.2852 4.3222 4.3222 4.3451 4.3988 4.4074 4.4074 4.4375 4.4700 4.4700 4.8175 4.8175 4.9128 4.9394 4.9426 4.9426 5.0230 5.0230 5.8587 5.8587 5.8776 5.8836 5.9612 5.9612 8.3261 8.3261 8.3482 8.3629 8.3629 8.3705 8.4274 8.4274 8.4394 8.4625 8.5893 8.5893 12.1056 12.1088 k = 0.0400 0.0400 0.0400 ( 6325 PWs) bands (ev): -48.6172 -48.6172 -26.2888 -26.2888 -24.2199 -24.2199 -24.2199 -24.2199 -7.1582 -7.1582 -6.1453 -6.1453 -6.1074 -6.1065 -6.1065 -6.1065 0.5104 0.5111 0.5111 0.5120 1.6038 1.6038 2.1288 2.1288 2.1377 2.1440 2.1650 2.1650 2.8240 2.8240 2.8569 2.8615 2.8652 2.8652 3.4352 3.4352 3.4497 3.4517 3.4708 3.4708 3.5806 3.5839 3.5839 3.5970 4.2019 4.2019 4.2717 4.3223 4.3223 4.3455 4.4011 4.4036 4.4036 4.4465 4.4688 4.4688 4.8169 4.8169 4.9011 4.9366 4.9482 4.9482 5.0229 5.0229 5.8405 5.8405 5.8768 5.8849 5.9570 5.9570 8.3078 8.3078 8.3449 8.3584 8.3584 8.3706 8.4401 8.4401 8.4503 8.4769 8.6443 8.6443 12.1026 12.1070 k = 0.0500 0.0500 0.0500 ( 6325 PWs) bands (ev): -48.6172 -48.6172 -26.2888 -26.2888 -24.2200 -24.2200 -24.2200 -24.2200 -7.1527 -7.1527 -6.1474 -6.1474 -6.1099 -6.1087 -6.1086 -6.1086 0.5186 0.5195 0.5195 0.5207 1.6097 1.6097 2.1225 2.1225 2.1384 2.1463 2.1651 2.1651 2.8179 2.8179 2.8487 2.8541 2.8610 2.8610 3.4234 3.4234 3.4362 3.4407 3.4634 3.4634 3.5975 3.6004 3.6004 3.6153 4.1973 4.1973 4.2579 4.3219 4.3219 4.3420 4.3990 4.3990 4.4072 4.4554 4.4674 4.4674 4.8153 4.8153 4.8879 4.9320 4.9554 4.9554 5.0234 5.0234 5.8164 5.8164 5.8760 5.8860 5.9532 5.9532 8.2916 8.2916 8.3425 8.3552 8.3552 8.3700 8.4559 8.4559 8.4648 8.4935 8.7042 8.7042 12.0996 12.1052 k = 0.0600 0.0600 0.0600 ( 6319 PWs) bands (ev): -48.6171 -48.6171 -26.2889 -26.2889 -24.2200 -24.2200 -24.2200 -24.2200 -7.1459 -7.1459 -6.1500 -6.1500 -6.1128 -6.1114 -6.1111 -6.1111 0.5287 0.5296 0.5296 0.5312 1.6169 1.6169 2.1143 2.1143 2.1394 2.1488 2.1658 2.1658 2.8104 2.8104 2.8390 2.8451 2.8560 2.8560 3.4115 3.4115 3.4230 3.4299 3.4547 3.4547 3.6153 3.6176 3.6176 3.6342 4.1919 4.1919 4.2436 4.3210 4.3210 4.3361 4.3937 4.3937 4.4154 4.4644 4.4659 4.4659 4.8128 4.8128 4.8735 4.9261 4.9638 4.9638 5.0253 5.0253 5.7867 5.7867 5.8749 5.8870 5.9498 5.9498 8.2785 8.2785 8.3408 8.3530 8.3530 8.3692 8.4742 8.4742 8.4821 8.5120 8.7681 8.7681 12.0959 12.1026 k = 0.0700 0.0700 0.0700 ( 6316 PWs) bands (ev): -48.6171 -48.6171 -26.2889 -26.2889 -24.2200 -24.2200 -24.2200 -24.2200 -7.1379 -7.1379 -6.1531 -6.1531 -6.1162 -6.1146 -6.1140 -6.1140 0.5405 0.5415 0.5415 0.5434 1.6252 1.6252 2.1042 2.1042 2.1407 2.1516 2.1670 2.1670 2.8015 2.8015 2.8280 2.8345 2.8504 2.8504 3.3996 3.3996 3.4102 3.4196 3.4445 3.4445 3.6339 3.6352 3.6352 3.6533 4.1859 4.1859 4.2290 4.3193 4.3193 4.3289 4.3879 4.3879 4.4247 4.4645 4.4645 4.4732 4.8092 4.8092 4.8581 4.9192 4.9723 4.9723 5.0300 5.0300 5.7521 5.7521 5.8736 5.8876 5.9468 5.9468 8.2688 8.2688 8.3398 8.3518 8.3518 8.3685 8.4945 8.4945 8.5018 8.5324 8.8355 8.8355 12.0919 12.0998 k = 0.0800 0.0800 0.0800 ( 6319 PWs) bands (ev): -48.6171 -48.6171 -26.2889 -26.2889 -24.2201 -24.2201 -24.2201 -24.2201 -7.1288 -7.1288 -6.1566 -6.1566 -6.1200 -6.1183 -6.1173 -6.1173 0.5539 0.5550 0.5550 0.5573 1.6347 1.6347 2.0925 2.0925 2.1424 2.1547 2.1687 2.1687 2.7912 2.7912 2.8155 2.8224 2.8442 2.8442 3.3879 3.3879 3.3979 3.4095 3.4328 3.4328 3.6530 3.6530 3.6530 3.6726 4.1793 4.1793 4.2140 4.3167 4.3167 4.3209 4.3819 4.3819 4.4344 4.4632 4.4632 4.4818 4.8046 4.8046 4.8422 4.9115 4.9792 4.9792 5.0388 5.0388 5.7135 5.7135 5.8718 5.8878 5.9440 5.9440 8.2623 8.2623 8.3393 8.3512 8.3512 8.3682 8.5167 8.5167 8.5235 8.5544 8.9057 8.9057 12.0874 12.0967 k = 0.0900 0.0900 0.0900 ( 6313 PWs) bands (ev): -48.6171 -48.6171 -26.2890 -26.2890 -24.2202 -24.2202 -24.2202 -24.2202 -7.1185 -7.1185 -6.1605 -6.1605 -6.1243 -6.1223 -6.1210 -6.1210 0.5690 0.5702 0.5702 0.5728 1.6453 1.6453 2.0790 2.0790 2.1444 2.1581 2.1708 2.1708 2.7796 2.7796 2.8019 2.8088 2.8376 2.8376 3.3764 3.3764 3.3860 3.3999 3.4196 3.4196 3.6709 3.6709 3.6727 3.6919 4.1724 4.1724 4.1989 4.3127 4.3130 4.3130 4.3760 4.3760 4.4441 4.4621 4.4621 4.4902 4.7993 4.7993 4.8262 4.9034 4.9835 4.9835 5.0527 5.0527 5.6716 5.6716 5.8696 5.8875 5.9410 5.9410 8.2590 8.2590 8.3394 8.3513 8.3513 8.3682 8.5406 8.5406 8.5469 8.5781 8.9781 8.9781 12.0825 12.0928 k = 0.1000 0.1000 0.1000 ( 6313 PWs) bands (ev): -48.6171 -48.6171 -26.2890 -26.2890 -24.2202 -24.2202 -24.2202 -24.2202 -7.1071 -7.1071 -6.1648 -6.1648 -6.1290 -6.1268 -6.1250 -6.1250 0.5856 0.5868 0.5868 0.5898 1.6569 1.6569 2.0639 2.0639 2.1466 2.1617 2.1733 2.1733 2.7667 2.7667 2.7871 2.7940 2.8306 2.8306 3.3649 3.3649 3.3746 3.3905 3.4050 3.4050 3.6889 3.6889 3.6928 3.7111 4.1651 4.1651 4.1836 4.3042 4.3079 4.3079 4.3703 4.3703 4.4536 4.4613 4.4613 4.4982 4.7937 4.7937 4.8105 4.8952 4.9854 4.9854 5.0714 5.0714 5.6270 5.6270 5.8669 5.8866 5.9378 5.9378 8.2587 8.2587 8.3399 8.3520 8.3520 8.3685 8.5659 8.5659 8.5718 8.6031 9.0520 9.0520 12.0770 12.0886 k = 0.1100 0.1100 0.1100 ( 6310 PWs) bands (ev): -48.6171 -48.6171 -26.2891 -26.2891 -24.2203 -24.2203 -24.2203 -24.2203 -7.0947 -7.0947 -6.1695 -6.1695 -6.1340 -6.1317 -6.1294 -6.1294 0.6036 0.6048 0.6048 0.6083 1.6693 1.6693 2.0474 2.0474 2.1493 2.1656 2.1761 2.1761 2.7528 2.7528 2.7714 2.7780 2.8232 2.8232 3.3534 3.3534 3.3635 3.3813 3.3890 3.3890 3.7066 3.7066 3.7132 3.7301 4.1576 4.1576 4.1683 4.2959 4.3017 4.3017 4.3650 4.3650 4.4607 4.4607 4.4626 4.5058 4.7880 4.7880 4.7954 4.8874 4.9857 4.9857 5.0938 5.0938 5.5805 5.5805 5.8636 5.8850 5.9343 5.9343 8.2612 8.2612 8.3406 8.3531 8.3531 8.3690 8.5925 8.5925 8.5979 8.6294 9.1267 9.1267 12.0705 12.0822 k = 0.1200 0.1200 0.1200 ( 6319 PWs) bands (ev): -48.6171 -48.6171 -26.2891 -26.2891 -24.2204 -24.2204 -24.2204 -24.2204 -7.0812 -7.0812 -6.1745 -6.1745 -6.1395 -6.1370 -6.1341 -6.1341 0.6229 0.6241 0.6241 0.6281 1.6825 1.6825 2.0295 2.0295 2.1522 2.1697 2.1792 2.1792 2.7378 2.7378 2.7549 2.7610 2.8154 2.8154 3.3415 3.3415 3.3528 3.3719 3.3719 3.3722 3.7241 3.7241 3.7338 3.7488 4.1500 4.1500 4.1530 4.2877 4.2943 4.2943 4.3601 4.3601 4.4603 4.4603 4.4709 4.5129 4.7815 4.7824 4.7824 4.8800 4.9848 4.9848 5.1191 5.1191 5.5326 5.5326 5.8596 5.8827 5.9303 5.9303 8.2665 8.2665 8.3415 8.3549 8.3549 8.3698 8.6203 8.6203 8.6251 8.6568 9.2015 9.2015 12.0629 12.0747 k = 0.1300 0.1300 0.1300 ( 6319 PWs) bands (ev): -48.6171 -48.6171 -26.2892 -26.2892 -24.2205 -24.2205 -24.2205 -24.2205 -7.0667 -7.0667 -6.1799 -6.1799 -6.1452 -6.1426 -6.1390 -6.1390 0.6435 0.6446 0.6446 0.6491 1.6963 1.6963 2.0104 2.0104 2.1554 2.1741 2.1826 2.1826 2.7220 2.7220 2.7376 2.7431 2.8073 2.8073 3.3283 3.3283 3.3423 3.3546 3.3546 3.3631 3.7411 3.7411 3.7546 3.7670 4.1379 4.1426 4.1426 4.2798 4.2861 4.2861 4.3557 4.3557 4.4602 4.4602 4.4784 4.5193 4.7690 4.7772 4.7772 4.8734 4.9830 4.9830 5.1468 5.1468 5.4838 5.4838 5.8552 5.8798 5.9259 5.9259 8.2742 8.2742 8.3425 8.3572 8.3572 8.3708 8.6491 8.6491 8.6532 8.6852 9.2757 9.2757 12.0539 12.0638 k = 0.1400 0.1400 0.1400 ( 6325 PWs) bands (ev): -48.6171 -48.6171 -26.2893 -26.2893 -24.2206 -24.2206 -24.2206 -24.2206 -7.0512 -7.0512 -6.1856 -6.1856 -6.1513 -6.1486 -6.1443 -6.1443 0.6651 0.6662 0.6662 0.6712 1.7103 1.7103 1.9904 1.9904 2.1588 2.1786 2.1862 2.1862 2.7055 2.7055 2.7198 2.7246 2.7990 2.7990 3.3127 3.3127 3.3319 3.3384 3.3384 3.3541 3.7576 3.7576 3.7753 3.7848 4.1232 4.1354 4.1354 4.2724 4.2774 4.2774 4.3516 4.3516 4.4603 4.4603 4.4847 4.5251 4.7584 4.7726 4.7726 4.8679 4.9805 4.9805 5.1764 5.1764 5.4346 5.4346 5.8501 5.8761 5.9210 5.9210 8.2841 8.2841 8.3436 8.3603 8.3603 8.3719 8.6787 8.6787 8.6820 8.7143 9.3488 9.3488 12.0433 12.0521 k = 0.1500 0.1500 0.1500 ( 6328 PWs) bands (ev): -48.6171 -48.6171 -26.2893 -26.2893 -24.2207 -24.2207 -24.2207 -24.2207 -7.0348 -7.0348 -6.1915 -6.1915 -6.1577 -6.1548 -6.1498 -6.1498 0.6877 0.6887 0.6887 0.6943 1.7243 1.7243 1.9698 1.9698 2.1626 2.1833 2.1900 2.1900 2.6885 2.6885 2.7016 2.7056 2.7904 2.7904 3.2934 3.2934 3.3217 3.3243 3.3243 3.3449 3.7733 3.7733 3.7959 3.8018 4.1091 4.1285 4.1285 4.2656 4.2685 4.2685 4.3479 4.3479 4.4607 4.4607 4.4898 4.5301 4.7499 4.7687 4.7687 4.8634 4.9774 4.9774 5.2078 5.2078 5.3854 5.3854 5.8446 5.8719 5.9157 5.9157 8.2955 8.2955 8.3447 8.3647 8.3647 8.3731 8.7090 8.7090 8.7115 8.7441 9.4200 9.4200 12.0308 12.0381 k = 0.1600 0.1600 0.1600 ( 6337 PWs) bands (ev): -48.6172 -48.6172 -26.2894 -26.2894 -24.2208 -24.2208 -24.2208 -24.2208 -7.0175 -7.0175 -6.1978 -6.1978 -6.1643 -6.1613 -6.1554 -6.1554 0.7111 0.7120 0.7120 0.7182 1.7376 1.7376 1.9493 1.9493 2.1665 2.1881 2.1940 2.1940 2.6712 2.6712 2.6832 2.6863 2.7816 2.7816 3.2710 3.2710 3.3114 3.3120 3.3120 3.3356 3.7882 3.7882 3.8162 3.8182 4.0958 4.1221 4.1221 4.2596 4.2596 4.2596 4.3443 4.3443 4.4612 4.4612 4.4934 4.5344 4.7438 4.7656 4.7656 4.8603 4.9735 4.9735 5.2404 5.2404 5.3366 5.3366 5.8387 5.8671 5.9101 5.9101 8.3075 8.3075 8.3456 8.3711 8.3711 8.3742 8.7399 8.7399 8.7414 8.7745 9.4888 9.4888 12.0162 12.0220 k = 0.1700 0.1700 0.1700 ( 6337 PWs) bands (ev): -48.6172 -48.6172 -26.2895 -26.2895 -24.2209 -24.2209 -24.2209 -24.2209 -6.9994 -6.9994 -6.2042 -6.2042 -6.1711 -6.1680 -6.1613 -6.1613 0.7352 0.7360 0.7360 0.7428 1.7491 1.7491 1.9297 1.9297 2.1708 2.1931 2.1982 2.1982 2.6538 2.6538 2.6647 2.6668 2.7727 2.7727 3.2463 3.2463 3.3007 3.3007 3.3011 3.3261 3.8020 3.8020 3.8337 3.8360 4.0835 4.1163 4.1163 4.2510 4.2510 4.2544 4.3410 4.3410 4.4618 4.4618 4.4954 4.5378 4.7401 4.7631 4.7631 4.8584 4.9689 4.9689 5.2716 5.2716 5.2913 5.2913 5.8326 5.8619 5.9043 5.9043 8.3189 8.3189 8.3465 8.3753 8.3806 8.3806 8.7711 8.7711 8.7717 8.8053 9.5546 9.5546 11.9991 12.0033 k = 0.1800 0.1800 0.1800 ( 6328 PWs) bands (ev): -48.6171 -48.6171 -26.2896 -26.2896 -24.2210 -24.2210 -24.2210 -24.2210 -6.9805 -6.9805 -6.2109 -6.2109 -6.1781 -6.1749 -6.1673 -6.1673 0.7599 0.7604 0.7604 0.7680 1.7573 1.7573 1.9128 1.9128 2.1753 2.1982 2.2025 2.2025 2.6365 2.6365 2.6463 2.6475 2.7637 2.7637 3.2201 3.2201 3.2898 3.2898 3.2907 3.3163 3.8148 3.8148 3.8483 3.8550 4.0726 4.1111 4.1111 4.2430 4.2430 4.2504 4.3379 4.3379 4.4626 4.4626 4.4959 4.5404 4.7388 4.7614 4.7614 4.8579 4.9634 4.9634 5.2394 5.2394 5.3115 5.3115 5.8265 5.8564 5.8984 5.8984 8.3282 8.3282 8.3471 8.3763 8.3946 8.3946 8.8023 8.8028 8.8028 8.8364 9.6171 9.6171 11.9794 11.9819 k = 0.1900 0.1900 0.1900 ( 6334 PWs) bands (ev): -48.6171 -48.6171 -26.2897 -26.2897 -24.2211 -24.2211 -24.2211 -24.2211 -6.9610 -6.9610 -6.2178 -6.2178 -6.1853 -6.1820 -6.1735 -6.1735 0.7849 0.7852 0.7852 0.7935 1.7596 1.7596 1.9010 1.9010 2.1799 2.2034 2.2068 2.2068 2.6194 2.6194 2.6282 2.6285 2.7545 2.7545 3.1927 3.1927 3.2790 3.2790 3.2801 3.3062 3.8263 3.8263 3.8620 3.8729 4.0634 4.1068 4.1068 4.2356 4.2356 4.2474 4.3349 4.3349 4.4634 4.4634 4.4949 4.5421 4.7397 4.7601 4.7601 4.8585 4.9569 4.9569 5.1937 5.1937 5.3475 5.3475 5.8204 5.8508 5.8926 5.8926 8.3350 8.3350 8.3475 8.3771 8.4135 8.4135 8.8330 8.8346 8.8346 8.8677 9.6758 9.6758 11.9566 11.9574 k = 0.2000 0.2000 0.2000 ( 6322 PWs) bands (ev): -48.6171 -48.6171 -26.2897 -26.2897 -24.2212 -24.2212 -24.2212 -24.2212 -6.9407 -6.9407 -6.2247 -6.2247 -6.1926 -6.1893 -6.1797 -6.1797 0.8100 0.8101 0.8101 0.8192 1.7536 1.7536 1.8966 1.8966 2.1846 2.2085 2.2113 2.2113 2.6029 2.6029 2.6100 2.6106 2.7454 2.7454 3.1645 3.1645 3.2682 3.2682 3.2693 3.2958 3.8367 3.8367 3.8748 3.8893 4.0563 4.1033 4.1033 4.2290 4.2290 4.2456 4.3321 4.3321 4.4643 4.4643 4.4926 4.5431 4.7426 4.7592 4.7592 4.8603 4.9494 4.9494 5.1493 5.1493 5.3847 5.3847 5.8146 5.8452 5.8870 5.8870 8.3396 8.3396 8.3478 8.3777 8.4366 8.4366 8.8639 8.8665 8.8665 8.8991 9.7305 9.7305 11.9297 11.9306 k = 0.2100 0.2100 0.2100 ( 6334 PWs) bands (ev): -48.6171 -48.6171 -26.2898 -26.2898 -24.2214 -24.2214 -24.2214 -24.2213 -6.9199 -6.9199 -6.2319 -6.2319 -6.2000 -6.1966 -6.1861 -6.1861 0.8349 0.8349 0.8352 0.8449 1.7392 1.7392 1.8997 1.8997 2.1895 2.2136 2.2156 2.2156 2.5870 2.5870 2.5922 2.5937 2.7362 2.7362 3.1358 3.1358 3.2573 3.2573 3.2582 3.2850 3.8458 3.8458 3.8866 3.9036 4.0519 4.1005 4.1005 4.2233 4.2233 4.2450 4.3294 4.3294 4.4653 4.4653 4.4891 4.5433 4.7470 4.7583 4.7583 4.8630 4.9405 4.9405 5.1068 5.1068 5.4226 5.4226 5.8093 5.8399 5.8819 5.8819 8.3426 8.3426 8.3477 8.3781 8.4631 8.4631 8.8947 8.8984 8.8984 8.9305 9.7812 9.7812 11.8985 11.9009 k = 0.2200 0.2200 0.2200 ( 6328 PWs) bands (ev): -48.6171 -48.6171 -26.2899 -26.2899 -24.2215 -24.2215 -24.2215 -24.2215 -6.8986 -6.8986 -6.2390 -6.2390 -6.2075 -6.2041 -6.1925 -6.1925 0.8596 0.8596 0.8603 0.8705 1.7184 1.7184 1.9083 1.9083 2.1945 2.2186 2.2200 2.2200 2.5722 2.5722 2.5754 2.5777 2.7271 2.7271 3.1070 3.1070 3.2462 3.2462 3.2470 3.2739 3.8537 3.8537 3.8977 3.9156 4.0506 4.0985 4.0985 4.2184 4.2184 4.2455 4.3269 4.3269 4.4663 4.4663 4.4846 4.5428 4.7525 4.7571 4.7571 4.8663 4.9302 4.9302 5.0672 5.0672 5.4613 5.4613 5.8049 5.8352 5.8775 5.8775 8.3447 8.3447 8.3475 8.3782 8.4925 8.4925 8.9255 8.9302 8.9302 8.9618 9.8279 9.8279 11.8634 11.8673 k = 0.2300 0.2300 0.2300 ( 6325 PWs) bands (ev): -48.6171 -48.6171 -26.2900 -26.2900 -24.2216 -24.2216 -24.2216 -24.2216 -6.8769 -6.8769 -6.2463 -6.2463 -6.2150 -6.2115 -6.1989 -6.1989 0.8838 0.8838 0.8849 0.8957 1.6933 1.6933 1.9201 1.9201 2.1995 2.2234 2.2243 2.2243 2.5584 2.5584 2.5598 2.5627 2.7181 2.7181 3.0784 3.0784 3.2350 3.2350 3.2354 3.2624 3.8606 3.8606 3.9080 3.9247 4.0528 4.0972 4.0972 4.2144 4.2144 4.2472 4.3245 4.3245 4.4673 4.4673 4.4795 4.5416 4.7550 4.7550 4.7587 4.8701 4.9181 4.9181 5.0308 5.0308 5.5005 5.5005 5.8015 5.8313 5.8740 5.8740 8.3461 8.3461 8.3470 8.3782 8.5241 8.5241 8.9561 8.9619 8.9619 8.9929 9.8705 9.8705 11.8242 11.8295 k = 0.2400 0.2400 0.2400 ( 6325 PWs) bands (ev): -48.6171 -48.6171 -26.2901 -26.2901 -24.2217 -24.2217 -24.2217 -24.2217 -6.8548 -6.8548 -6.2536 -6.2536 -6.2225 -6.2190 -6.2054 -6.2054 0.9075 0.9075 0.9091 0.9204 1.6656 1.6656 1.9333 1.9333 2.2045 2.2281 2.2284 2.2284 2.5456 2.5460 2.5460 2.5490 2.7091 2.7091 3.0504 3.0504 3.2236 3.2236 3.2236 3.2505 3.8666 3.8666 3.9178 3.9312 4.0583 4.0966 4.0966 4.2113 4.2113 4.2498 4.3223 4.3223 4.4682 4.4682 4.4738 4.5399 4.7512 4.7512 4.7652 4.8741 4.9042 4.9042 4.9986 4.9986 5.5400 5.5400 5.7994 5.8285 5.8718 5.8718 8.3463 8.3470 8.3470 8.3779 8.5575 8.5575 8.9865 8.9931 8.9931 9.0237 9.9096 9.9096 11.7808 11.7872 k = 0.2500 0.2500 0.2500 ( 6331 PWs) bands (ev): -48.6171 -48.6171 -26.2902 -26.2902 -24.2218 -24.2218 -24.2218 -24.2218 -6.8323 -6.8323 -6.2608 -6.2608 -6.2299 -6.2265 -6.2118 -6.2118 0.9304 0.9304 0.9325 0.9443 1.6363 1.6363 1.9468 1.9468 2.2096 2.2325 2.2325 2.2326 2.5330 2.5351 2.5351 2.5367 2.7003 2.7003 3.0233 3.0233 3.2115 3.2121 3.2121 3.2383 3.8719 3.8719 3.9272 3.9354 4.0666 4.0964 4.0964 4.2088 4.2088 4.2532 4.3202 4.3202 4.4676 4.4690 4.4690 4.5376 4.7448 4.7448 4.7714 4.8778 4.8887 4.8887 4.9710 4.9710 5.5797 5.5797 5.7991 5.8271 5.8710 5.8710 8.3455 8.3475 8.3475 8.3773 8.5925 8.5925 9.0165 9.0239 9.0239 9.0540 9.9452 9.9452 11.7329 11.7404 k = 0.2600 0.2600 0.2600 ( 6325 PWs) bands (ev): -48.6170 -48.6170 -26.2902 -26.2902 -24.2220 -24.2220 -24.2220 -24.2220 -6.8097 -6.8097 -6.2680 -6.2680 -6.2373 -6.2339 -6.2183 -6.2183 0.9523 0.9523 0.9551 0.9673 1.6060 1.6060 1.9599 1.9599 2.2146 2.2364 2.2364 2.2369 2.5221 2.5259 2.5259 2.5260 2.6916 2.6916 2.9976 2.9976 3.1992 3.2003 3.2003 3.2258 3.8766 3.8766 3.9364 3.9383 4.0770 4.0967 4.0967 4.2070 4.2070 4.2573 4.3182 4.3182 4.4611 4.4696 4.4696 4.5348 4.7347 4.7347 4.7771 4.8727 4.8727 4.8811 4.9480 4.9480 5.6195 5.6195 5.8006 5.8275 5.8720 5.8720 8.3445 8.3478 8.3478 8.3766 8.6287 8.6287 9.0459 9.0541 9.0541 9.0838 9.9779 9.9779 11.6806 11.6889 k = 0.2700 0.2700 0.2700 ( 6322 PWs) bands (ev): -48.6170 -48.6170 -26.2903 -26.2903 -24.2221 -24.2221 -24.2221 -24.2221 -6.7869 -6.7869 -6.2752 -6.2752 -6.2447 -6.2413 -6.2246 -6.2246 0.9731 0.9731 0.9766 0.9893 1.5752 1.5752 1.9719 1.9719 2.2197 2.2402 2.2402 2.2409 2.5130 2.5169 2.5184 2.5184 2.6832 2.6832 2.9736 2.9736 3.1868 3.1885 3.1885 3.2131 3.8810 3.8810 3.9404 3.9455 4.0887 4.0973 4.0973 4.2057 4.2057 4.2619 4.3164 4.3164 4.4543 4.4700 4.4700 4.5316 4.7203 4.7203 4.7819 4.8578 4.8578 4.8835 4.9286 4.9286 5.6592 5.6592 5.8044 5.8298 5.8750 5.8750 8.3434 8.3480 8.3480 8.3758 8.6658 8.6658 9.0747 9.0836 9.0836 9.1127 10.0081 10.0081 11.6239 11.6327 k = 0.2800 0.2800 0.2800 ( 6322 PWs) bands (ev): -48.6170 -48.6170 -26.2904 -26.2904 -24.2222 -24.2222 -24.2222 -24.2222 -6.7641 -6.7641 -6.2823 -6.2823 -6.2519 -6.2485 -6.2310 -6.2310 0.9927 0.9927 0.9969 1.0100 1.5441 1.5441 1.9824 1.9824 2.2247 2.2440 2.2440 2.2449 2.5058 2.5095 2.5127 2.5127 2.6749 2.6749 2.9517 2.9517 3.1742 3.1765 3.1765 3.2002 3.8851 3.8851 3.9424 3.9547 4.0982 4.0982 4.1010 4.2047 4.2047 4.2669 4.3147 4.3147 4.4473 4.4702 4.4702 4.5280 4.7017 4.7017 4.7853 4.8450 4.8450 4.8847 4.9114 4.9114 5.6987 5.6987 5.8107 5.8344 5.8803 5.8803 8.3423 8.3480 8.3480 8.3748 8.7035 8.7035 9.1026 9.1120 9.1120 9.1407 10.0363 10.0363 11.5631 11.5723 k = 0.2900 0.2900 0.2900 ( 6322 PWs) bands (ev): -48.6170 -48.6170 -26.2905 -26.2905 -24.2223 -24.2223 -24.2223 -24.2223 -6.7413 -6.7413 -6.2893 -6.2893 -6.2590 -6.2557 -6.2373 -6.2373 1.0108 1.0108 1.0159 1.0293 1.5132 1.5132 1.9909 1.9909 2.2297 2.2478 2.2478 2.2487 2.5005 2.5040 2.5088 2.5088 2.6670 2.6670 2.9323 2.9323 3.1615 3.1644 3.1644 3.1871 3.8891 3.8891 3.9447 3.9641 4.0994 4.0994 4.1136 4.2041 4.2041 4.2721 4.3130 4.3130 4.4402 4.4700 4.4700 4.5241 4.6798 4.6798 4.7872 4.8340 4.8340 4.8845 4.8958 4.8958 5.7378 5.7378 5.8196 5.8415 5.8882 5.8882 8.3413 8.3479 8.3479 8.3737 8.7414 8.7414 9.1295 9.1393 9.1393 9.1676 10.0630 10.0630 11.4985 11.5078 k = 0.3000 0.3000 0.3000 ( 6310 PWs) bands (ev): -48.6169 -48.6169 -26.2906 -26.2906 -24.2225 -24.2224 -24.2224 -24.2224 -6.7186 -6.7186 -6.2961 -6.2961 -6.2659 -6.2626 -6.2435 -6.2435 1.0275 1.0275 1.0334 1.0471 1.4825 1.4825 1.9973 1.9973 2.2349 2.2517 2.2517 2.2526 2.4970 2.5002 2.5066 2.5066 2.6593 2.6593 2.9157 2.9157 3.1488 3.1523 3.1523 3.1739 3.8931 3.8931 3.9476 3.9738 4.1008 4.1008 4.1261 4.2036 4.2036 4.2773 4.3114 4.3114 4.4330 4.4695 4.4695 4.5199 4.6561 4.6561 4.7874 4.8241 4.8241 4.8812 4.8812 4.8827 5.7762 5.7762 5.8312 5.8513 5.8989 5.8989 8.3403 8.3479 8.3479 8.3727 8.7792 8.7792 9.1551 9.1652 9.1652 9.1930 10.0885 10.0885 11.4306 11.4400 k = 0.3100 0.3100 0.3100 ( 6322 PWs) bands (ev): -48.6170 -48.6170 -26.2907 -26.2907 -24.2226 -24.2226 -24.2226 -24.2226 -6.6960 -6.6960 -6.3027 -6.3027 -6.2726 -6.2694 -6.2496 -6.2496 1.0426 1.0426 1.0495 1.0633 1.4522 1.4522 2.0012 2.0012 2.2401 2.2558 2.2558 2.2566 2.4952 2.4980 2.5060 2.5060 2.6520 2.6520 2.9023 2.9023 3.1361 3.1402 3.1402 3.1607 3.8970 3.8970 3.9512 3.9839 4.1024 4.1024 4.1384 4.2031 4.2031 4.2825 4.3097 4.3097 4.4257 4.4684 4.4684 4.5154 4.6318 4.6318 4.7856 4.8141 4.8141 4.8672 4.8672 4.8789 5.8136 5.8136 5.8456 5.8637 5.9125 5.9125 8.3396 8.3481 8.3481 8.3717 8.8167 8.8167 9.1792 9.1895 9.1895 9.2168 10.1134 10.1134 11.3602 11.3694 k = 0.3200 0.3200 0.3200 ( 6325 PWs) bands (ev): -48.6170 -48.6170 -26.2908 -26.2908 -24.2227 -24.2227 -24.2227 -24.2227 -6.6738 -6.6738 -6.3092 -6.3092 -6.2791 -6.2760 -6.2556 -6.2556 1.0561 1.0561 1.0640 1.0778 1.4227 1.4227 2.0025 2.0025 2.2456 2.2602 2.2602 2.2609 2.4950 2.4975 2.5069 2.5069 2.6450 2.6450 2.8921 2.8921 3.1235 3.1281 3.1281 3.1475 3.9010 3.9010 3.9557 3.9945 4.1042 4.1042 4.1503 4.2027 4.2027 4.2876 4.3080 4.3080 4.4183 4.4668 4.4668 4.5107 4.6081 4.6081 4.7819 4.8035 4.8035 4.8537 4.8537 4.8731 5.8498 5.8498 5.8627 5.8790 5.9292 5.9292 8.3391 8.3484 8.3484 8.3709 8.8536 8.8536 9.2016 9.2118 9.2118 9.2387 10.1380 10.1380 11.2880 11.2968 k = 0.3300 0.3300 0.3300 ( 6322 PWs) bands (ev): -48.6170 -48.6170 -26.2908 -26.2908 -24.2228 -24.2228 -24.2228 -24.2228 -6.6519 -6.6519 -6.3155 -6.3155 -6.2854 -6.2824 -6.2615 -6.2615 1.0679 1.0679 1.0769 1.0907 1.3939 1.3939 2.0011 2.0011 2.2514 2.2650 2.2650 2.2656 2.4962 2.4983 2.5091 2.5091 2.6384 2.6384 2.8852 2.8852 3.1111 3.1161 3.1161 3.1344 3.9051 3.9051 3.9611 4.0056 4.1063 4.1063 4.1617 4.2022 4.2022 4.2924 4.3062 4.3062 4.4111 4.4646 4.4646 4.5059 4.5858 4.5858 4.7763 4.7918 4.7918 4.8406 4.8406 4.8653 5.8825 5.8844 5.8844 5.8969 5.9492 5.9492 8.3390 8.3489 8.3489 8.3704 8.8894 8.8894 9.2219 9.2320 9.2320 9.2584 10.1625 10.1625 11.2148 11.2233 k = 0.3400 0.3400 0.3400 ( 6304 PWs) bands (ev): -48.6169 -48.6169 -26.2909 -26.2909 -24.2229 -24.2229 -24.2229 -24.2229 -6.6304 -6.6304 -6.3215 -6.3215 -6.2914 -6.2886 -6.2674 -6.2674 1.0781 1.0781 1.0883 1.1019 1.3661 1.3661 1.9972 1.9972 2.2576 2.2702 2.2702 2.2707 2.4986 2.5005 2.5124 2.5124 2.6322 2.6322 2.8816 2.8816 3.0989 3.1043 3.1043 3.1214 3.9092 3.9092 3.9674 4.0173 4.1086 4.1086 4.1726 4.2016 4.2016 4.2969 4.3042 4.3042 4.4040 4.4616 4.4616 4.5009 4.5655 4.5655 4.7688 4.7791 4.7791 4.8275 4.8275 4.8555 5.9047 5.9172 5.9172 5.9173 5.9725 5.9725 8.3394 8.3498 8.3498 8.3701 8.9241 8.9241 9.2398 9.2497 9.2497 9.2756 10.1873 10.1873 11.1416 11.1496 k = 0.3500 0.3500 0.3500 ( 6292 PWs) bands (ev): -48.6168 -48.6168 -26.2910 -26.2910 -24.2230 -24.2230 -24.2230 -24.2230 -6.6095 -6.6095 -6.3273 -6.3273 -6.2972 -6.2944 -6.2731 -6.2731 1.0868 1.0868 1.0982 1.1115 1.3394 1.3394 1.9910 1.9910 2.2640 2.2759 2.2759 2.2763 2.5019 2.5037 2.5166 2.5166 2.6264 2.6264 2.8811 2.8811 3.0869 3.0927 3.0927 3.1087 3.9132 3.9132 3.9748 4.0294 4.1112 4.1112 4.1830 4.2008 4.2008 4.3008 4.3020 4.3020 4.3972 4.4577 4.4577 4.4958 4.5479 4.5479 4.7596 4.7654 4.7654 4.8143 4.8143 4.8438 5.9290 5.9399 5.9481 5.9481 5.9986 5.9986 8.3402 8.3512 8.3512 8.3702 8.9572 8.9572 9.2551 9.2646 9.2646 9.2899 10.2125 10.2125 11.0693 11.0768 k = 0.3600 0.3600 0.3600 ( 6292 PWs) bands (ev): -48.6168 -48.6168 -26.2910 -26.2910 -24.2231 -24.2231 -24.2231 -24.2231 -6.5891 -6.5891 -6.3328 -6.3328 -6.3026 -6.3000 -6.2788 -6.2788 1.0940 1.0940 1.1066 1.1195 1.3140 1.3140 1.9826 1.9826 2.2709 2.2820 2.2820 2.2825 2.5060 2.5077 2.5214 2.5214 2.6212 2.6212 2.8834 2.8834 3.0753 3.0813 3.0813 3.0962 3.9172 3.9172 3.9830 4.0421 4.1139 4.1139 4.1927 4.1997 4.1997 4.2994 4.2994 4.3040 4.3908 4.4527 4.4527 4.4906 4.5333 4.5333 4.7489 4.7509 4.7509 4.8007 4.8007 4.8303 5.9550 5.9644 5.9776 5.9776 6.0265 6.0265 8.3417 8.3529 8.3529 8.3708 8.9887 8.9887 9.2675 9.2765 9.2765 9.3012 10.2382 10.2382 10.9988 11.0058 k = 0.3700 0.3700 0.3700 ( 6298 PWs) bands (ev): -48.6168 -48.6168 -26.2911 -26.2911 -24.2232 -24.2232 -24.2232 -24.2232 -6.5694 -6.5694 -6.3380 -6.3380 -6.3078 -6.3053 -6.2843 -6.2843 1.0997 1.0997 1.1136 1.1261 1.2899 1.2899 1.9725 1.9725 2.2780 2.2886 2.2886 2.2890 2.5106 2.5123 2.5266 2.5266 2.6165 2.6165 2.8883 2.8883 3.0642 3.0702 3.0702 3.0841 3.9209 3.9209 3.9921 4.0551 4.1169 4.1169 4.1984 4.1984 4.2018 4.2964 4.2964 4.3062 4.3852 4.4470 4.4470 4.4853 4.5217 4.5217 4.7361 4.7361 4.7369 4.7865 4.7865 4.8152 5.9824 5.9903 6.0063 6.0063 6.0554 6.0554 8.3438 8.3553 8.3553 8.3720 9.0182 9.0182 9.2766 9.2850 9.2850 9.3090 10.2643 10.2643 10.9310 10.9376 k = 0.3800 0.3800 0.3800 ( 6298 PWs) bands (ev): -48.6168 -48.6168 -26.2912 -26.2912 -24.2233 -24.2233 -24.2233 -24.2233 -6.5504 -6.5504 -6.3430 -6.3430 -6.3126 -6.3103 -6.2898 -6.2898 1.1042 1.1042 1.1195 1.1313 1.2673 1.2673 1.9611 1.9611 2.2855 2.2954 2.2954 2.2960 2.5155 2.5174 2.5320 2.5320 2.6124 2.6124 2.8952 2.8952 3.0536 3.0595 3.0595 3.0724 3.9243 3.9243 4.0022 4.0685 4.1203 4.1203 4.1968 4.1968 4.2104 4.2930 4.2930 4.3072 4.3805 4.4409 4.4409 4.4801 4.5131 4.5131 4.7211 4.7211 4.7239 4.7718 4.7718 4.7988 6.0106 6.0173 6.0344 6.0344 6.0842 6.0842 8.3467 8.3582 8.3582 8.3737 9.0457 9.0457 9.2823 9.2901 9.2901 9.3132 10.2909 10.2909 10.8669 10.8730 k = 0.3900 0.3900 0.3900 ( 6299 PWs) bands (ev): -48.6168 -48.6168 -26.2912 -26.2912 -24.2234 -24.2234 -24.2234 -24.2234 -6.5322 -6.5322 -6.3476 -6.3476 -6.3171 -6.3149 -6.2953 -6.2953 1.1075 1.1075 1.1242 1.1353 1.2462 1.2462 1.9489 1.9489 2.2932 2.3024 2.3024 2.3032 2.5206 2.5227 2.5373 2.5373 2.6090 2.6090 2.9037 2.9037 3.0435 3.0493 3.0493 3.0612 3.9273 3.9273 4.0131 4.0822 4.1238 4.1238 4.1951 4.1951 4.2183 4.2893 4.2893 4.3067 4.3772 4.4349 4.4349 4.4749 4.5069 4.5069 4.7061 4.7061 4.7102 4.7566 4.7566 4.7812 6.0393 6.0449 6.0621 6.0621 6.1123 6.1123 8.3503 8.3617 8.3617 8.3760 9.0711 9.0711 9.2846 9.2915 9.2915 9.3138 10.3176 10.3176 10.8072 10.8128 k = 0.4000 0.4000 0.4000 ( 6299 PWs) bands (ev): -48.6168 -48.6168 -26.2913 -26.2913 -24.2234 -24.2234 -24.2234 -24.2234 -6.5149 -6.5149 -6.3519 -6.3519 -6.3212 -6.3192 -6.3006 -6.3006 1.1098 1.1098 1.1279 1.1383 1.2269 1.2269 1.9361 1.9361 2.3009 2.3096 2.3096 2.3106 2.5258 2.5281 2.5423 2.5423 2.6063 2.6063 2.9134 2.9134 3.0341 3.0396 3.0396 3.0506 3.9298 3.9298 4.0247 4.0959 4.1277 4.1277 4.1931 4.1931 4.2255 4.2853 4.2853 4.3044 4.3755 4.4296 4.4296 4.4698 4.5027 4.5027 4.6915 4.6915 4.6962 4.7410 4.7410 4.7628 6.0679 6.0725 6.0892 6.0892 6.1392 6.1392 8.3547 8.3658 8.3658 8.3790 9.0943 9.0943 9.2833 9.2895 9.2895 9.3107 10.3444 10.3444 10.7524 10.7576 k = 0.4100 0.4100 0.4100 ( 6284 PWs) bands (ev): -48.6167 -48.6167 -26.2913 -26.2913 -24.2235 -24.2235 -24.2235 -24.2235 -6.4984 -6.4984 -6.3560 -6.3560 -6.3249 -6.3231 -6.3059 -6.3059 1.1112 1.1112 1.1309 1.1404 1.2094 1.2094 1.9233 1.9233 2.3087 2.3167 2.3167 2.3179 2.5309 2.5334 2.5468 2.5468 2.6046 2.6046 2.9238 2.9238 3.0254 3.0305 3.0305 3.0406 3.9318 3.9318 4.0371 4.1095 4.1317 4.1317 4.1911 4.1911 4.2321 4.2812 4.2812 4.3005 4.3755 4.4254 4.4254 4.4648 4.4999 4.4999 4.6775 4.6775 4.6821 4.7252 4.7252 4.7440 6.0959 6.0997 6.1152 6.1152 6.1647 6.1647 8.3598 8.3705 8.3705 8.3825 9.1152 9.1152 9.2788 9.2841 9.2841 9.3041 10.3707 10.3707 10.7032 10.7080 k = 0.4200 0.4200 0.4200 ( 6284 PWs) bands (ev): -48.6167 -48.6167 -26.2914 -26.2914 -24.2236 -24.2236 -24.2236 -24.2236 -6.4829 -6.4829 -6.3597 -6.3597 -6.3283 -6.3267 -6.3111 -6.3111 1.1118 1.1118 1.1331 1.1417 1.1937 1.1937 1.9109 1.9109 2.3163 2.3235 2.3235 2.3250 2.5357 2.5383 2.5505 2.5505 2.6036 2.6036 2.9345 2.9345 3.0175 3.0220 3.0220 3.0313 3.9333 3.9333 4.0500 4.1226 4.1359 4.1359 4.1891 4.1891 4.2380 4.2772 4.2772 4.2951 4.3770 4.4222 4.4222 4.4598 4.4983 4.4983 4.6643 4.6643 4.6684 4.7093 4.7093 4.7249 6.1227 6.1258 6.1397 6.1397 6.1885 6.1885 8.3656 8.3756 8.3756 8.3865 9.1338 9.1338 9.2714 9.2758 9.2758 9.2945 10.3963 10.3963 10.6597 10.6642 k = 0.4300 0.4300 0.4300 ( 6278 PWs) bands (ev): -48.6167 -48.6167 -26.2914 -26.2914 -24.2236 -24.2236 -24.2236 -24.2236 -6.4684 -6.4684 -6.3631 -6.3631 -6.3313 -6.3299 -6.3163 -6.3163 1.1117 1.1117 1.1348 1.1424 1.1801 1.1801 1.8990 1.8990 2.3236 2.3300 2.3300 2.3317 2.5402 2.5429 2.5534 2.5534 2.6036 2.6036 2.9451 2.9451 3.0105 3.0144 3.0144 3.0228 3.9342 3.9342 4.0634 4.1350 4.1399 4.1399 4.1874 4.1874 4.2432 4.2732 4.2732 4.2887 4.3798 4.4201 4.4201 4.4550 4.4976 4.4976 4.6521 4.6521 4.6553 4.6938 4.6938 4.7060 6.1479 6.1503 6.1623 6.1623 6.2104 6.2104 8.3719 8.3811 8.3811 8.3908 9.1501 9.1501 9.2617 9.2652 9.2652 9.2825 10.4207 10.4207 10.6222 10.6262 k = 0.4400 0.4400 0.4400 ( 6284 PWs) bands (ev): -48.6167 -48.6167 -26.2914 -26.2914 -24.2237 -24.2237 -24.2237 -24.2237 -6.4549 -6.4549 -6.3663 -6.3663 -6.3339 -6.3327 -6.3213 -6.3213 1.1109 1.1109 1.1361 1.1427 1.1685 1.1685 1.8882 1.8882 2.3305 2.3360 2.3360 2.3378 2.5443 2.5470 2.5553 2.5553 2.6044 2.6044 2.9551 2.9551 3.0045 3.0075 3.0075 3.0151 3.9346 3.9346 4.0772 4.1437 4.1437 4.1461 4.1860 4.1860 4.2475 4.2696 4.2696 4.2818 4.3836 4.4187 4.4187 4.4501 4.4976 4.4976 4.6411 4.6411 4.6433 4.6786 4.6786 4.6878 6.1709 6.1728 6.1826 6.1826 6.2302 6.2302 8.3785 8.3868 8.3868 8.3953 9.1641 9.1641 9.2506 9.2531 9.2531 9.2688 10.4433 10.4433 10.5905 10.5941 k = 0.4500 0.4500 0.4500 ( 6275 PWs) bands (ev): -48.6167 -48.6167 -26.2915 -26.2915 -24.2237 -24.2237 -24.2237 -24.2237 -6.4425 -6.4425 -6.3694 -6.3694 -6.3361 -6.3351 -6.3262 -6.3262 1.1097 1.1097 1.1371 1.1426 1.1591 1.1591 1.8786 1.8786 2.3367 2.3413 2.3413 2.3432 2.5479 2.5504 2.5565 2.5565 2.6056 2.6056 2.9642 2.9642 2.9994 3.0016 3.0016 3.0084 3.9346 3.9346 4.0911 4.1470 4.1470 4.1554 4.1852 4.1852 4.2511 4.2663 4.2663 4.2749 4.3882 4.4181 4.4181 4.4453 4.4984 4.4984 4.6317 4.6317 4.6328 4.6644 4.6644 4.6705 6.1913 6.1928 6.2002 6.2002 6.2477 6.2477 8.3852 8.3924 8.3924 8.3997 9.1758 9.1758 9.2389 9.2404 9.2404 9.2544 10.4635 10.4635 10.5645 10.5677 k = 0.4600 0.4600 0.4600 ( 6263 PWs) bands (ev): -48.6166 -48.6166 -26.2915 -26.2915 -24.2237 -24.2237 -24.2237 -24.2237 -6.4313 -6.4313 -6.3723 -6.3723 -6.3379 -6.3371 -6.3307 -6.3307 1.1081 1.1081 1.1378 1.1423 1.1518 1.1518 1.8704 1.8704 2.3423 2.3459 2.3459 2.3477 2.5511 2.5533 2.5572 2.5572 2.6072 2.6072 2.9720 2.9720 2.9953 2.9967 2.9967 3.0026 3.9344 3.9344 4.1050 4.1496 4.1496 4.1622 4.1851 4.1851 4.2538 4.2635 4.2635 4.2686 4.3936 4.4179 4.4179 4.4404 4.4996 4.4996 4.6241 4.6241 4.6242 4.6512 4.6512 4.6547 6.2087 6.2098 6.2149 6.2149 6.2626 6.2626 8.3917 8.3977 8.3977 8.4036 9.1852 9.1852 9.2277 9.2282 9.2282 9.2403 10.4809 10.4809 10.5440 10.5466 k = 0.4700 0.4700 0.4700 ( 6245 PWs) bands (ev): -48.6165 -48.6165 -26.2915 -26.2915 -24.2238 -24.2238 -24.2238 -24.2238 -6.4215 -6.4215 -6.3751 -6.3751 -6.3392 -6.3386 -6.3347 -6.3347 1.1064 1.1064 1.1385 1.1418 1.1464 1.1464 1.8639 1.8639 2.3470 2.3496 2.3496 2.3512 2.5536 2.5554 2.5575 2.5575 2.6087 2.6087 2.9783 2.9783 2.9923 2.9930 2.9930 2.9979 3.9340 3.9340 4.1186 4.1515 4.1515 4.1656 4.1856 4.1856 4.2558 4.2611 4.2611 4.2636 4.3994 4.4179 4.4179 4.4354 4.5011 4.5011 4.6178 4.6186 4.6186 4.6397 4.6397 4.6410 6.2227 6.2234 6.2264 6.2264 6.2745 6.2745 8.3976 8.4023 8.4023 8.4068 9.1923 9.1923 9.2176 9.2176 9.2180 9.2276 10.4947 10.4947 10.5285 10.5305 k = 0.4800 0.4800 0.4800 ( 6263 PWs) bands (ev): -48.6166 -48.6166 -26.2915 -26.2915 -24.2238 -24.2238 -24.2238 -24.2238 -6.4133 -6.4133 -6.3779 -6.3779 -6.3402 -6.3398 -6.3380 -6.3380 1.1049 1.1049 1.1390 1.1413 1.1428 1.1428 1.8591 1.8591 2.3506 2.3523 2.3523 2.3535 2.5556 2.5568 2.5575 2.5575 2.6099 2.6099 2.9825 2.9825 2.9904 2.9906 2.9906 2.9941 3.9336 3.9336 4.1314 4.1525 4.1525 4.1651 4.1863 4.1863 4.2568 4.2592 4.2592 4.2602 4.4056 4.4180 4.4180 4.4299 4.5025 4.5025 4.6140 4.6154 4.6154 4.6295 4.6299 4.6299 6.2329 6.2334 6.2347 6.2347 6.2833 6.2833 8.4026 8.4058 8.4058 8.4089 9.1966 9.1966 9.2100 9.2100 9.2107 9.2172 10.5043 10.5043 10.5178 10.5192 k = 0.4900 0.4900 0.4900 ( 6272 PWs) bands (ev): -48.6167 -48.6167 -26.2915 -26.2915 -24.2238 -24.2238 -24.2238 -24.2238 -6.4075 -6.4075 -6.3804 -6.3804 -6.3407 -6.3405 -6.3401 -6.3401 1.1038 1.1038 1.1396 1.1407 1.1408 1.1408 1.8562 1.8562 2.3531 2.3539 2.3539 2.3546 2.5569 2.5575 2.5575 2.5575 2.6106 2.6106 2.9844 2.9844 2.9897 2.9899 2.9899 2.9915 3.9333 3.9333 4.1432 4.1531 4.1531 4.1608 4.1869 4.1869 4.2574 4.2581 4.2581 4.2584 4.4119 4.4181 4.4181 4.4242 4.5035 4.5035 4.6131 4.6146 4.6146 4.6209 4.6226 4.6226 6.2391 6.2394 6.2396 6.2396 6.2886 6.2886 8.4064 8.4080 8.4080 8.4096 9.1974 9.1974 9.2067 9.2068 9.2068 9.2100 10.5089 10.5089 10.5117 10.5124 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -48.6167 -48.6167 -26.2915 -26.2915 -24.2238 -24.2238 -24.2238 -24.2238 -6.4053 -6.4053 -6.3814 -6.3814 -6.3408 -6.3408 -6.3408 -6.3408 1.1034 1.1034 1.1401 1.1401 1.1401 1.1401 1.8552 1.8552 2.3545 2.3545 2.3545 2.3545 2.5575 2.5575 2.5575 2.5575 2.6109 2.6109 2.9847 2.9847 2.9900 2.9900 2.9900 2.9900 3.9332 3.9332 4.1532 4.1532 4.1532 4.1532 4.1872 4.1872 4.2577 4.2577 4.2577 4.2577 4.4182 4.4182 4.4182 4.4182 4.5039 4.5039 4.6154 4.6154 4.6154 4.6154 4.6190 4.6190 6.2413 6.2413 6.2413 6.2413 6.2904 6.2904 8.4088 8.4088 8.4088 8.4088 9.1969 9.1969 9.2065 9.2065 9.2065 9.2065 10.5099 10.5099 10.5099 10.5099 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -48.6167 -48.6167 -26.2915 -26.2915 -24.2238 -24.2238 -24.2238 -24.2238 -6.4053 -6.4053 -6.3814 -6.3814 -6.3408 -6.3408 -6.3408 -6.3408 1.1034 1.1034 1.1401 1.1401 1.1401 1.1401 1.8552 1.8552 2.3545 2.3545 2.3545 2.3545 2.5575 2.5575 2.5575 2.5575 2.6109 2.6109 2.9847 2.9847 2.9900 2.9900 2.9900 2.9900 3.9332 3.9332 4.1532 4.1532 4.1532 4.1532 4.1872 4.1872 4.2577 4.2577 4.2577 4.2577 4.4182 4.4182 4.4182 4.4182 4.5039 4.5039 4.6154 4.6154 4.6154 4.6154 4.6190 4.6190 6.2413 6.2413 6.2413 6.2413 6.2904 6.2904 8.4088 8.4088 8.4088 8.4088 9.1969 9.1969 9.2065 9.2065 9.2065 9.2065 10.5099 10.5099 10.5099 10.5099 k = 0.4878 0.5000 0.4878 ( 6272 PWs) bands (ev): -48.6167 -48.6167 -26.2915 -26.2915 -24.2238 -24.2238 -24.2238 -24.2238 -6.4075 -6.4075 -6.3804 -6.3803 -6.3408 -6.3406 -6.3401 -6.3400 1.1038 1.1038 1.1397 1.1406 1.1407 1.1409 1.8562 1.8562 2.3532 2.3537 2.3541 2.3546 2.5568 2.5573 2.5575 2.5578 2.6106 2.6106 2.9842 2.9846 2.9893 2.9898 2.9904 2.9914 3.9333 3.9333 4.1436 4.1507 4.1552 4.1606 4.1869 4.1869 4.2572 4.2578 4.2581 4.2587 4.4121 4.4166 4.4197 4.4240 4.5035 4.5036 4.6123 4.6145 4.6157 4.6209 4.6224 4.6226 6.2390 6.2392 6.2398 6.2399 6.2886 6.2887 8.4063 8.4078 8.4082 8.4097 9.1972 9.1977 9.2066 9.2067 9.2069 9.2099 10.5092 10.5093 10.5114 10.5121 k = 0.4756 0.5000 0.4756 ( 6264 PWs) bands (ev): -48.6166 -48.6166 -26.2915 -26.2915 -24.2238 -24.2238 -24.2238 -24.2238 -6.4133 -6.4131 -6.3783 -6.3778 -6.3405 -6.3401 -6.3379 -6.3375 1.1048 1.1049 1.1393 1.1414 1.1422 1.1429 1.8591 1.8591 2.3506 2.3520 2.3526 2.3536 2.5552 2.5563 2.5577 2.5582 2.6099 2.6099 2.9819 2.9845 2.9878 2.9909 2.9919 2.9938 3.9336 3.9336 4.1322 4.1480 4.1563 4.1654 4.1863 4.1863 4.2564 4.2580 4.2594 4.2615 4.4060 4.4152 4.4208 4.4295 4.5025 4.5029 4.6097 4.6169 4.6183 4.6284 4.6300 4.6304 6.2322 6.2326 6.2354 6.2356 6.2834 6.2834 8.4016 8.4054 8.4062 8.4100 9.1960 9.1997 9.2074 9.2092 9.2113 9.2174 10.5063 10.5065 10.5157 10.5170 k = 0.4634 0.5000 0.4634 ( 6248 PWs) bands (ev): -48.6165 -48.6165 -26.2915 -26.2915 -24.2238 -24.2238 -24.2237 -24.2237 -6.4213 -6.4209 -6.3761 -6.3748 -6.3400 -6.3391 -6.3345 -6.3338 1.1063 1.1066 1.1393 1.1423 1.1450 1.1463 1.8638 1.8639 2.3469 2.3493 2.3499 2.3515 2.5528 2.5543 2.5579 2.5587 2.6088 2.6088 2.9775 2.9828 2.9866 2.9936 2.9947 2.9974 3.9340 3.9341 4.1196 4.1451 4.1555 4.1675 4.1855 4.1857 4.2551 4.2585 4.2613 4.2661 4.3998 4.4142 4.4215 4.4346 4.5014 4.5024 4.6080 4.6226 4.6239 4.6360 4.6408 4.6422 6.2209 6.2217 6.2279 6.2283 6.2748 6.2751 8.3948 8.4004 8.4041 8.4097 9.1921 9.2006 9.2093 9.2141 9.2205 9.2286 10.5005 10.5006 10.5213 10.5228 k = 0.4512 0.5000 0.4512 ( 6260 PWs) bands (ev): -48.6166 -48.6166 -26.2915 -26.2915 -24.2238 -24.2238 -24.2237 -24.2237 -6.4308 -6.4301 -6.3743 -6.3719 -6.3392 -6.3378 -6.3303 -6.3290 1.1080 1.1084 1.1398 1.1436 1.1490 1.1510 1.8703 1.8705 2.3422 2.3457 2.3460 2.3485 2.5494 2.5514 2.5580 2.5590 2.6076 2.6077 2.9712 2.9781 2.9872 2.9977 2.9983 3.0022 3.9342 3.9346 4.1063 4.1421 4.1522 4.1670 4.1846 4.1862 4.2532 4.2592 4.2634 4.2721 4.3937 4.4140 4.4215 4.4393 4.5008 4.5026 4.6075 4.6311 4.6320 4.6454 4.6532 4.6568 6.2054 6.2065 6.2175 6.2181 6.2633 6.2639 8.3865 8.3939 8.4015 8.4089 9.1861 9.1985 9.2141 9.2206 9.2327 9.2426 10.4919 10.4920 10.5281 10.5298 k = 0.4390 0.5000 0.4390 ( 6270 PWs) bands (ev): -48.6167 -48.6167 -26.2915 -26.2915 -24.2237 -24.2237 -24.2237 -24.2237 -6.4414 -6.4404 -6.3729 -6.3692 -6.3381 -6.3360 -6.3256 -6.3236 1.1095 1.1099 1.1412 1.1453 1.1541 1.1571 1.8784 1.8788 2.3364 2.3412 2.3414 2.3446 2.5451 2.5475 2.5578 2.5591 2.6066 2.6067 2.9633 2.9716 2.9888 3.0025 3.0033 3.0085 3.9344 3.9349 4.0929 4.1389 4.1462 4.1642 4.1837 4.1882 4.2507 4.2605 4.2656 4.2790 4.3877 4.4146 4.4207 4.4436 4.5013 4.5040 4.6082 4.6416 4.6417 4.6571 4.6670 4.6731 6.1858 6.1874 6.2041 6.2049 6.2493 6.2503 8.3773 8.3863 8.3984 8.4076 9.1783 9.1938 9.2206 9.2284 9.2467 9.2583 10.4814 10.4818 10.5369 10.5388 k = 0.4268 0.5000 0.4268 ( 6266 PWs) bands (ev): -48.6166 -48.6166 -26.2914 -26.2914 -24.2237 -24.2237 -24.2236 -24.2236 -6.4529 -6.4517 -6.3719 -6.3667 -6.3366 -6.3336 -6.3204 -6.3178 1.1104 1.1104 1.1440 1.1478 1.1605 1.1645 1.8880 1.8887 2.3299 2.3354 2.3366 2.3401 2.5398 2.5426 2.5571 2.5587 2.6062 2.6063 2.9539 2.9636 2.9912 3.0073 3.0100 3.0158 3.9341 3.9348 4.0797 4.1357 4.1381 4.1600 4.1832 4.1914 4.2479 4.2624 4.2678 4.2861 4.3821 4.4165 4.4193 4.4478 4.5031 4.5065 4.6103 4.6519 4.6540 4.6716 4.6819 4.6905 6.1626 6.1646 6.1879 6.1889 6.2332 6.2346 8.3678 8.3783 8.3950 8.4057 9.1684 9.1868 9.2278 9.2367 9.2612 9.2745 10.4699 10.4709 10.5482 10.5503 k = 0.4146 0.5000 0.4146 ( 6270 PWs) bands (ev): -48.6167 -48.6167 -26.2914 -26.2914 -24.2237 -24.2237 -24.2235 -24.2235 -6.4651 -6.4638 -6.3715 -6.3646 -6.3346 -6.3306 -6.3148 -6.3116 1.1097 1.1103 1.1481 1.1512 1.1680 1.1734 1.8990 1.9000 2.3227 2.3288 2.3312 2.3351 2.5336 2.5367 2.5558 2.5578 2.6065 2.6069 2.9431 2.9542 2.9944 3.0130 3.0179 3.0242 3.9333 3.9340 4.0672 4.1287 4.1324 4.1549 4.1828 4.1953 4.2449 4.2647 4.2699 4.2928 4.3769 4.4174 4.4195 4.4520 4.5060 4.5103 4.6137 4.6624 4.6676 4.6887 4.6973 4.7084 6.1363 6.1387 6.1690 6.1701 6.2151 6.2170 8.3585 8.3704 8.3911 8.4033 9.1564 9.1775 9.2350 9.2450 9.2750 9.2900 10.4583 10.4598 10.5625 10.5648 k = 0.4024 0.5000 0.4024 ( 6266 PWs) bands (ev): -48.6166 -48.6166 -26.2914 -26.2914 -24.2237 -24.2237 -24.2234 -24.2234 -6.4780 -6.4765 -6.3714 -6.3630 -6.3320 -6.3269 -6.3091 -6.3052 1.1077 1.1093 1.1535 1.1555 1.1769 1.1834 1.9110 1.9126 2.3150 2.3217 2.3256 2.3296 2.5263 2.5299 2.5538 2.5564 2.6077 2.6086 2.9311 2.9434 2.9987 3.0195 3.0269 3.0335 3.9317 3.9321 4.0559 4.1190 4.1290 4.1492 4.1826 4.1994 4.2417 4.2675 4.2719 4.2991 4.3723 4.4155 4.4237 4.4565 4.5099 4.5150 4.6187 4.6732 4.6820 4.7079 4.7131 4.7265 6.1075 6.1103 6.1478 6.1489 6.1953 6.1975 8.3498 8.3631 8.3868 8.4004 9.1419 9.1655 9.2415 9.2525 9.2873 9.3038 10.4473 10.4495 10.5803 10.5827 k = 0.3902 0.5000 0.3902 ( 6266 PWs) bands (ev): -48.6167 -48.6167 -26.2913 -26.2913 -24.2236 -24.2236 -24.2234 -24.2234 -6.4915 -6.4899 -6.3719 -6.3622 -6.3286 -6.3226 -6.3030 -6.2987 1.1044 1.1070 1.1598 1.1606 1.1870 1.1946 1.9240 1.9261 2.3069 2.3141 2.3199 2.3240 2.5183 2.5223 2.5515 2.5548 2.6097 2.6113 2.9179 2.9315 3.0039 3.0268 3.0367 3.0435 3.9287 3.9290 4.0464 4.1094 4.1257 4.1433 4.1826 4.2035 4.2385 4.2706 4.2737 4.3046 4.3684 4.4137 4.4291 4.4612 4.5143 4.5203 4.6253 4.6845 4.6966 4.7284 4.7291 4.7447 6.0768 6.0800 6.1246 6.1256 6.1738 6.1761 8.3421 8.3567 8.3822 8.3969 9.1249 9.1507 9.2467 9.2587 9.2972 9.3153 10.4376 10.4406 10.6018 10.6044 k = 0.3780 0.5000 0.3780 ( 6286 PWs) bands (ev): -48.6168 -48.6168 -26.2913 -26.2913 -24.2236 -24.2236 -24.2233 -24.2233 -6.5056 -6.5039 -6.3729 -6.3621 -6.3243 -6.3176 -6.2968 -6.2919 1.1001 1.1036 1.1664 1.1666 1.1982 1.2068 1.9375 1.9404 2.2986 2.3063 2.3141 2.3182 2.5094 2.5140 2.5492 2.5532 2.6125 2.6148 2.9037 2.9184 3.0101 3.0350 3.0474 3.0543 3.9233 3.9250 4.0388 4.1005 4.1223 4.1373 4.1824 4.2073 4.2356 4.2736 4.2753 4.3093 4.3655 4.4125 4.4354 4.4665 4.5191 4.5260 4.6336 4.6960 4.7111 4.7454 4.7486 4.7637 6.0450 6.0484 6.0997 6.1006 6.1506 6.1529 8.3356 8.3514 8.3771 8.3929 9.1053 9.1330 9.2499 9.2628 9.3044 9.3240 10.4297 10.4334 10.6275 10.6302 k = 0.3659 0.5000 0.3659 ( 6294 PWs) bands (ev): -48.6168 -48.6168 -26.2912 -26.2912 -24.2236 -24.2236 -24.2232 -24.2232 -6.5200 -6.5183 -6.3744 -6.3628 -6.3193 -6.3120 -6.2902 -6.2850 1.0947 1.0992 1.1727 1.1738 1.2104 1.2197 1.9514 1.9550 2.2902 2.2983 2.3084 2.3124 2.4999 2.5051 2.5471 2.5520 2.6159 2.6192 2.8886 2.9044 3.0175 3.0440 3.0589 3.0656 3.9161 3.9195 4.0333 4.0928 4.1190 4.1315 4.1820 4.2107 4.2331 4.2764 4.2766 4.3130 4.3642 4.4121 4.4427 4.4722 4.5240 4.5317 4.6437 4.7079 4.7246 4.7620 4.7663 4.7850 6.0126 6.0161 6.0738 6.0742 6.1259 6.1279 8.3305 8.3475 8.3718 8.3883 9.0832 9.1124 9.2506 9.2643 9.3085 9.3294 10.4241 10.4285 10.6577 10.6605 k = 0.3537 0.5000 0.3537 ( 6298 PWs) bands (ev): -48.6168 -48.6168 -26.2912 -26.2912 -24.2235 -24.2235 -24.2230 -24.2230 -6.5349 -6.5332 -6.3763 -6.3641 -6.3136 -6.3059 -6.2835 -6.2779 1.0883 1.0936 1.1793 1.1812 1.2235 1.2334 1.9653 1.9699 2.2819 2.2905 2.3029 2.3068 2.4899 2.4958 2.5458 2.5515 2.6199 2.6242 2.8727 2.8896 3.0259 3.0540 3.0710 3.0776 3.9072 3.9126 4.0297 4.0864 4.1158 4.1261 4.1810 4.2137 4.2313 4.2777 4.2788 4.3155 4.3651 4.4127 4.4509 4.4784 4.5288 4.5373 4.6552 4.7201 4.7368 4.7792 4.7809 4.8089 5.9802 5.9837 6.0468 6.0470 6.0998 6.1012 8.3269 8.3450 8.3662 8.3832 9.0587 9.0889 9.2484 9.2628 9.3094 9.3317 10.4210 10.4260 10.6926 10.6955 k = 0.3415 0.5000 0.3415 ( 6302 PWs) bands (ev): -48.6169 -48.6169 -26.2911 -26.2911 -24.2235 -24.2235 -24.2229 -24.2229 -6.5501 -6.5484 -6.3787 -6.3662 -6.3072 -6.2992 -6.2764 -6.2706 1.0808 1.0868 1.1862 1.1886 1.2373 1.2474 1.9790 1.9845 2.2737 2.2828 2.2978 2.3015 2.4795 2.4861 2.5455 2.5521 2.6243 2.6297 2.8562 2.8741 3.0354 3.0649 3.0837 3.0900 3.8970 3.9043 4.0276 4.0812 4.1127 4.1214 4.1793 4.2161 4.2306 4.2785 4.2806 4.3164 4.3686 4.4144 4.4596 4.4852 4.5335 4.5426 4.6680 4.7326 4.7471 4.7926 4.7972 4.8345 5.9483 5.9516 6.0187 6.0199 6.0725 6.0728 8.3249 8.3440 8.3602 8.3776 9.0322 9.0629 9.2429 9.2579 9.3073 9.3307 10.4205 10.4259 10.7323 10.7351 k = 0.3293 0.5000 0.3293 ( 6298 PWs) bands (ev): -48.6168 -48.6168 -26.2911 -26.2911 -24.2235 -24.2235 -24.2228 -24.2228 -6.5656 -6.5639 -6.3815 -6.3687 -6.3003 -6.2920 -6.2692 -6.2631 1.0724 1.0790 1.1931 1.1958 1.2516 1.2618 1.9922 1.9987 2.2659 2.2755 2.2931 2.2967 2.4689 2.4762 2.5464 2.5540 2.6292 2.6356 2.8393 2.8580 3.0461 3.0767 3.0971 3.1029 3.8859 3.8949 4.0265 4.0769 4.1097 4.1175 4.1767 4.2180 4.2309 4.2790 4.2819 4.3157 4.3746 4.4173 4.4689 4.4925 4.5379 4.5477 4.6816 4.7453 4.7557 4.8020 4.8159 4.8610 5.9173 5.9202 5.9902 5.9928 6.0428 6.0443 8.3244 8.3443 8.3540 8.3715 9.0041 9.0346 9.2341 9.2494 9.3022 9.3267 10.4225 10.4282 10.7766 10.7795 k = 0.3171 0.5000 0.3171 ( 6304 PWs) bands (ev): -48.6169 -48.6169 -26.2910 -26.2910 -24.2234 -24.2234 -24.2227 -24.2227 -6.5812 -6.5796 -6.3848 -6.3719 -6.2930 -6.2845 -6.2617 -6.2555 1.0629 1.0700 1.1999 1.2029 1.2661 1.2763 2.0047 2.0121 2.2585 2.2686 2.2890 2.2923 2.4581 2.4662 2.5489 2.5575 2.6344 2.6418 2.8220 2.8416 3.0579 3.0893 3.1109 3.1162 3.8743 3.8844 4.0260 4.0733 4.1067 4.1146 4.1732 4.2192 4.2325 4.2792 4.2827 4.3140 4.3827 4.4213 4.4784 4.5003 4.5418 4.5526 4.6953 4.7580 4.7627 4.8089 4.8352 4.8881 5.8874 5.8894 5.9615 5.9662 6.0116 6.0157 8.3253 8.3455 8.3475 8.3652 8.9748 9.0046 9.2218 9.2374 9.2944 9.3199 10.4268 10.4327 10.8255 10.8285 k = 0.3049 0.5000 0.3049 ( 6288 PWs) bands (ev): -48.6168 -48.6168 -26.2909 -26.2909 -24.2234 -24.2234 -24.2225 -24.2225 -6.5970 -6.5954 -6.3883 -6.3754 -6.2853 -6.2765 -6.2540 -6.2478 1.0524 1.0600 1.2066 1.2097 1.2808 1.2907 2.0163 2.0246 2.2517 2.2624 2.2853 2.2885 2.4475 2.4562 2.5531 2.5626 2.6399 2.6484 2.8046 2.8250 3.0708 3.1029 3.1253 3.1299 3.8626 3.8734 4.0258 4.0699 4.1037 4.1131 4.1689 4.2198 4.2351 4.2792 4.2831 4.3117 4.3923 4.4264 4.4879 4.5086 4.5453 4.5576 4.7078 4.7693 4.7705 4.8139 4.8550 4.9155 5.8585 5.8594 5.9329 5.9406 5.9793 5.9872 8.3269 8.3414 8.3457 8.3606 8.9450 8.9734 9.2061 9.2219 9.2842 9.3106 10.4332 10.4390 10.8786 10.8816 k = 0.2927 0.5000 0.2927 ( 6288 PWs) bands (ev): -48.6168 -48.6168 -26.2909 -26.2909 -24.2233 -24.2233 -24.2224 -24.2224 -6.6128 -6.6113 -6.3922 -6.3793 -6.2772 -6.2683 -6.2461 -6.2399 1.0409 1.0488 1.2129 1.2160 1.2953 1.3049 2.0269 2.0359 2.2455 2.2567 2.2823 2.2852 2.4369 2.4463 2.5590 2.5693 2.6457 2.6551 2.7871 2.8084 3.0849 3.1173 3.1401 3.1439 3.8511 3.8620 4.0256 4.0665 4.1006 4.1128 4.1640 4.2196 4.2385 4.2790 4.2832 4.3092 4.4030 4.4324 4.4967 4.5175 4.5484 4.5629 4.7173 4.7772 4.7821 4.8173 4.8751 4.9431 5.8294 5.8305 5.9048 5.9162 5.9464 5.9596 8.3258 8.3387 8.3404 8.3616 8.9154 8.9416 9.1872 9.2031 9.2717 9.2990 10.4412 10.4468 10.9354 10.9386 k = 0.2805 0.5000 0.2805 ( 6300 PWs) bands (ev): -48.6169 -48.6169 -26.2908 -26.2908 -24.2233 -24.2233 -24.2222 -24.2222 -6.6286 -6.6272 -6.3964 -6.3836 -6.2689 -6.2598 -6.2380 -6.2319 1.0285 1.0366 1.2188 1.2218 1.3096 1.3187 2.0364 2.0461 2.2401 2.2519 2.2798 2.2827 2.4265 2.4365 2.5665 2.5776 2.6517 2.6621 2.7698 2.7918 3.1000 3.1325 3.1553 3.1583 3.8398 3.8504 4.0253 4.0630 4.0975 4.1136 4.1587 4.2187 4.2426 4.2785 4.2831 4.3067 4.4143 4.4390 4.5044 4.5269 4.5510 4.5689 4.7217 4.7884 4.7910 4.8211 4.8953 4.9705 5.7989 5.8028 5.8777 5.8937 5.9135 5.9336 8.3190 8.3307 8.3424 8.3672 8.8865 8.9099 9.1653 9.1812 9.2574 9.2856 10.4504 10.4557 10.9956 10.9989 k = 0.2683 0.5000 0.2683 ( 6294 PWs) bands (ev): -48.6168 -48.6168 -26.2907 -26.2907 -24.2232 -24.2232 -24.2221 -24.2221 -6.6443 -6.6430 -6.4007 -6.3882 -6.2604 -6.2512 -6.2298 -6.2239 1.0151 1.0234 1.2241 1.2271 1.3235 1.3320 2.0449 2.0550 2.2355 2.2478 2.2779 2.2807 2.4164 2.4270 2.5755 2.5874 2.6580 2.6692 2.7529 2.7756 3.1163 3.1486 3.1711 3.1731 3.8290 3.8390 4.0247 4.0594 4.0944 4.1154 4.1531 4.2169 4.2473 4.2778 4.2830 4.3046 4.4260 4.4461 4.5106 4.5367 4.5534 4.5758 4.7207 4.7942 4.8037 4.8285 4.9156 4.9978 5.7668 5.7747 5.8525 5.8727 5.8821 5.9099 8.3094 8.3184 8.3493 8.3752 8.8592 8.8790 9.1408 9.1567 9.2415 9.2705 10.4604 10.4651 11.0584 11.0619 k = 0.2561 0.5000 0.2561 ( 6310 PWs) bands (ev): -48.6169 -48.6169 -26.2907 -26.2907 -24.2232 -24.2232 -24.2219 -24.2219 -6.6599 -6.6586 -6.4053 -6.3930 -6.2517 -6.2424 -6.2216 -6.2158 1.0009 1.0093 1.2289 1.2316 1.3368 1.3447 2.0523 2.0628 2.2319 2.2447 2.2766 2.2794 2.4066 2.4178 2.5857 2.5983 2.6644 2.6764 2.7366 2.7600 3.1336 3.1655 3.1872 3.1882 3.8186 3.8277 4.0236 4.0558 4.0912 4.1180 4.1475 4.2143 4.2524 4.2770 4.2830 4.3028 4.4378 4.4531 4.5149 4.5465 4.5561 4.5835 4.7152 4.7913 4.8220 4.8400 4.9358 5.0246 5.7325 5.7451 5.8295 5.8480 5.8586 5.8889 8.2978 8.3039 8.3580 8.3848 8.8340 8.8497 9.1140 9.1297 9.2242 9.2540 10.4706 10.4747 11.1232 11.1271 k = 0.2439 0.5000 0.2439 ( 6316 PWs) bands (ev): -48.6170 -48.6170 -26.2906 -26.2906 -24.2231 -24.2231 -24.2218 -24.2218 -6.6753 -6.6741 -6.4100 -6.3980 -6.2430 -6.2336 -6.2132 -6.2078 0.9859 0.9944 1.2330 1.2355 1.3494 1.3565 2.0587 2.0695 2.2292 2.2424 2.2758 2.2787 2.3972 2.4089 2.5966 2.6101 2.6711 2.6836 2.7210 2.7452 3.1520 3.1832 3.2036 3.2037 3.8088 3.8167 4.0221 4.0522 4.0882 4.1210 4.1421 4.2110 4.2577 4.2760 4.2832 4.3015 4.4496 4.4598 4.5174 4.5537 4.5618 4.5918 4.7065 4.7843 4.8425 4.8538 4.9559 5.0509 5.6956 5.7134 5.8090 5.8203 5.8434 5.8710 8.2844 8.2872 8.3682 8.3959 8.8115 8.8227 9.0852 9.1008 9.2058 9.2363 10.4806 10.4839 11.1893 11.1936 k = 0.2317 0.5000 0.2317 ( 6320 PWs) bands (ev): -48.6170 -48.6170 -26.2905 -26.2905 -24.2231 -24.2231 -24.2216 -24.2216 -6.6904 -6.6892 -6.4147 -6.4031 -6.2342 -6.2247 -6.2049 -6.1997 0.9704 0.9787 1.2364 1.2387 1.3612 1.3676 2.0643 2.0752 2.2276 2.2411 2.2754 2.2786 2.3883 2.4005 2.6079 2.6221 2.6778 2.6909 2.7067 2.7316 3.1713 3.2015 3.2193 3.2207 3.7996 3.8060 4.0201 4.0487 4.0853 4.1243 4.1369 4.2069 4.2632 4.2748 4.2837 4.3007 4.4609 4.4658 4.5186 4.5568 4.5721 4.6000 4.6958 4.7746 4.8646 4.8689 4.9758 5.0764 5.6564 5.6790 5.7909 5.7950 5.8319 5.8563 8.2683 8.2691 8.3798 8.4083 8.7922 8.7985 9.0550 9.0703 9.1865 9.2178 10.4899 10.4923 11.2560 11.2609 k = 0.2195 0.5000 0.2195 ( 6316 PWs) bands (ev): -48.6170 -48.6170 -26.2904 -26.2904 -24.2230 -24.2230 -24.2215 -24.2215 -6.7051 -6.7041 -6.4195 -6.4083 -6.2254 -6.2159 -6.1966 -6.1918 0.9543 0.9626 1.2390 1.2411 1.3721 1.3777 2.0692 2.0801 2.2271 2.2407 2.2755 2.2790 2.3800 2.3926 2.6188 2.6337 2.6842 2.6947 2.6978 2.7198 3.1914 3.2204 3.2355 3.2381 3.7910 3.7959 4.0175 4.0455 4.0828 4.1277 4.1321 4.2022 4.2687 4.2735 4.2845 4.3003 4.4707 4.4710 4.5193 4.5594 4.5839 4.6072 4.6842 4.7629 4.8847 4.8876 4.9954 5.1009 5.6154 5.6422 5.7728 5.7752 5.8232 5.8446 8.2474 8.2517 8.3926 8.4219 8.7762 8.7775 9.0236 9.0386 9.1664 9.1984 10.4980 10.4995 11.3223 11.3280 k = 0.2073 0.5000 0.2073 ( 6312 PWs) bands (ev): -48.6170 -48.6170 -26.2904 -26.2904 -24.2230 -24.2230 -24.2213 -24.2213 -6.7194 -6.7185 -6.4243 -6.4135 -6.2167 -6.2072 -6.1884 -6.1839 0.9379 0.9459 1.2410 1.2427 1.3820 1.3868 2.0733 2.0842 2.2275 2.2412 2.2759 2.2797 2.3721 2.3852 2.6285 2.6432 2.6829 2.6936 2.7027 2.7123 3.2122 3.2396 3.2521 3.2560 3.7829 3.7861 4.0143 4.0425 4.0809 4.1278 4.1310 4.1972 4.2717 4.2745 4.2858 4.3004 4.4741 4.4786 4.5210 4.5623 4.5962 4.6117 4.6736 4.7497 4.9012 4.9112 5.0147 5.1242 5.5729 5.6033 5.7539 5.7617 5.8170 5.8358 8.2246 8.2323 8.4065 8.4367 8.7601 8.7636 8.9916 9.0061 9.1458 9.1785 10.5045 10.5050 11.3875 11.3940 k = 0.1951 0.5000 0.1951 ( 6304 PWs) bands (ev): -48.6169 -48.6169 -26.2903 -26.2903 -24.2229 -24.2229 -24.2212 -24.2212 -6.7333 -6.7324 -6.4291 -6.4187 -6.2082 -6.1987 -6.1802 -6.1762 0.9213 0.9291 1.2422 1.2437 1.3909 1.3950 2.0769 2.0877 2.2289 2.2425 2.2765 2.2808 2.3649 2.3783 2.6359 2.6468 2.6807 2.7003 2.7004 2.7153 3.2336 3.2590 3.2692 3.2743 3.7752 3.7768 4.0107 4.0398 4.0797 4.1240 4.1341 4.1921 4.2699 4.2797 4.2873 4.3010 4.4760 4.4818 4.5259 4.5661 4.6088 4.6109 4.6668 4.7353 4.9180 4.9348 5.0336 5.1458 5.5296 5.5630 5.7382 5.7506 5.8129 5.8293 8.2003 8.2110 8.4215 8.4524 8.7463 8.7542 8.9593 8.9733 9.1248 9.1580 10.5086 10.5091 11.4503 11.4580 k = 0.1829 0.5000 0.1829 ( 6312 PWs) bands (ev): -48.6170 -48.6170 -26.2902 -26.2902 -24.2229 -24.2229 -24.2211 -24.2211 -6.7466 -6.7458 -6.4338 -6.4239 -6.1998 -6.1904 -6.1723 -6.1687 0.9046 0.9121 1.2427 1.2440 1.3988 1.4022 2.0799 2.0906 2.2312 2.2445 2.2773 2.2821 2.3582 2.3719 2.6395 2.6429 2.6860 2.6986 2.7079 2.7220 3.2552 3.2781 3.2872 3.2930 3.7679 3.7680 4.0068 4.0373 4.0792 4.1207 4.1368 4.1871 4.2677 4.2847 4.2889 4.3019 4.4761 4.4801 4.5343 4.5707 4.6028 4.6212 4.6661 4.7203 4.9349 4.9578 5.0520 5.1654 5.4858 5.5219 5.7256 5.7421 5.8106 5.8249 8.1749 8.1881 8.4373 8.4691 8.7359 8.7477 8.9273 8.9406 9.1035 9.1372 10.5100 10.5114 11.5099 11.5189 k = 0.1707 0.5000 0.1707 ( 6300 PWs) bands (ev): -48.6169 -48.6169 -26.2902 -26.2902 -24.2228 -24.2228 -24.2209 -24.2209 -6.7593 -6.7586 -6.4383 -6.4290 -6.1917 -6.1824 -6.1646 -6.1614 0.8880 0.8952 1.2427 1.2437 1.4057 1.4084 2.0825 2.0929 2.2342 2.2472 2.2783 2.2835 2.3522 2.3661 2.6361 2.6392 2.6949 2.7010 2.7156 2.7290 3.2769 3.2965 3.3063 3.3121 3.7595 3.7608 4.0029 4.0351 4.0796 4.1179 4.1392 4.1824 4.2652 4.2893 4.2909 4.3031 4.4747 4.4748 4.5453 4.5763 4.5892 4.6330 4.6700 4.7056 4.9520 4.9797 5.0698 5.1827 5.4419 5.4804 5.7164 5.7365 5.8098 5.8221 8.1489 8.1640 8.4541 8.4866 8.7285 8.7435 8.8960 8.9086 9.0819 9.1161 10.5091 10.5113 11.5649 11.5752 k = 0.1585 0.5000 0.1585 ( 6312 PWs) bands (ev): -48.6170 -48.6170 -26.2901 -26.2901 -24.2228 -24.2228 -24.2208 -24.2208 -6.7714 -6.7707 -6.4427 -6.4339 -6.1838 -6.1747 -6.1571 -6.1543 0.8718 0.8785 1.2421 1.2429 1.4116 1.4137 2.0846 2.0948 2.2378 2.2504 2.2792 2.2850 2.3468 2.3609 2.6291 2.6362 2.7043 2.7064 2.7234 2.7359 3.2983 3.3143 3.3261 3.3316 3.7513 3.7539 3.9994 4.0332 4.0807 4.1158 4.1410 4.1784 4.2621 4.2929 4.2934 4.3045 4.4669 4.4721 4.5566 4.5737 4.5824 4.6427 4.6761 4.6926 4.9688 5.0002 5.0866 5.1972 5.3984 5.4390 5.7106 5.7339 5.8101 5.8206 8.1227 8.1391 8.4714 8.5048 8.7234 8.7408 8.8663 8.8780 9.0601 9.0947 10.5056 10.5086 11.6138 11.6256 k = 0.1463 0.5000 0.1463 ( 6312 PWs) bands (ev): -48.6170 -48.6170 -26.2901 -26.2901 -24.2227 -24.2227 -24.2207 -24.2207 -6.7828 -6.7822 -6.4469 -6.4387 -6.1763 -6.1675 -6.1500 -6.1476 0.8559 0.8623 1.2411 1.2417 1.4166 1.4182 2.0863 2.0961 2.2419 2.2540 2.2802 2.2863 2.3421 2.3562 2.6228 2.6321 2.7132 2.7133 2.7313 2.7427 3.3194 3.3317 3.3461 3.3513 3.7434 3.7469 3.9966 4.0316 4.0825 4.1144 4.1423 4.1751 4.2586 4.2951 4.2970 4.3058 4.4575 4.4683 4.5517 4.5739 4.5886 4.6462 4.6831 4.6861 4.9852 5.0189 5.1024 5.2086 5.3556 5.3981 5.7083 5.7346 5.8113 5.8201 8.0968 8.1140 8.4894 8.5235 8.7194 8.7384 8.8392 8.8500 9.0382 9.0731 10.4997 10.5033 11.6549 11.6678 k = 0.1341 0.5000 0.1341 ( 6320 PWs) bands (ev): -48.6170 -48.6170 -26.2900 -26.2900 -24.2227 -24.2227 -24.2206 -24.2205 -6.7935 -6.7929 -6.4508 -6.4432 -6.1692 -6.1607 -6.1432 -6.1412 0.8407 0.8466 1.2397 1.2401 1.4208 1.4219 2.0876 2.0970 2.2463 2.2578 2.2811 2.2875 2.3381 2.3520 2.6177 2.6280 2.7204 2.7214 2.7391 2.7491 3.3398 3.3488 3.3661 3.3711 3.7357 3.7398 3.9949 4.0303 4.0848 4.1138 4.1430 4.1729 4.2546 4.2974 4.3001 4.3069 4.4471 4.4639 4.5338 4.5871 4.5933 4.6410 4.6899 4.6905 5.0011 5.0355 5.1165 5.2165 5.3143 5.3580 5.7095 5.7384 5.8131 5.8202 8.0717 8.0890 8.5077 8.5426 8.7149 8.7345 8.8161 8.8264 9.0163 9.0514 10.4915 10.4956 11.6850 11.6974 k = 0.1220 0.5000 0.1220 ( 6326 PWs) bands (ev): -48.6171 -48.6171 -26.2900 -26.2900 -24.2227 -24.2227 -24.2204 -24.2204 -6.8034 -6.8029 -6.4545 -6.4475 -6.1625 -6.1544 -6.1368 -6.1352 0.8263 0.8317 1.2380 1.2383 1.4242 1.4249 2.0886 2.0975 2.2508 2.2617 2.2820 2.2884 2.3348 2.3484 2.6137 2.6244 2.7274 2.7288 2.7465 2.7552 3.3594 3.3655 3.3856 3.3907 3.7281 3.7324 3.9944 4.0294 4.0876 4.1143 4.1434 4.1716 4.2499 4.2998 4.3026 4.3073 4.4361 4.4589 4.5151 4.5929 4.6015 4.6352 4.6978 4.6995 5.0161 5.0502 5.1287 5.2203 5.2753 5.3192 5.7142 5.7451 5.8155 5.8209 8.0477 8.0647 8.5262 8.5617 8.7078 8.7265 8.7994 8.8097 8.9944 9.0296 10.4813 10.4857 11.6991 11.7062 k = 0.1098 0.5000 0.1098 ( 6324 PWs) bands (ev): -48.6171 -48.6171 -26.2899 -26.2899 -24.2226 -24.2226 -24.2203 -24.2203 -6.8124 -6.8120 -6.4579 -6.4515 -6.1562 -6.1487 -6.1309 -6.1295 0.8128 0.8177 1.2361 1.2363 1.4269 1.4273 2.0892 2.0975 2.2554 2.2655 2.2829 2.2891 2.3323 2.3452 2.6108 2.6214 2.7339 2.7355 2.7535 2.7609 3.3781 3.3819 3.4044 3.4099 3.7207 3.7247 3.9953 4.0287 4.0905 4.1161 4.1436 4.1711 4.2448 4.3024 4.3047 4.3067 4.4252 4.4536 4.4968 4.5840 4.6164 4.6364 4.7049 4.7108 5.0302 5.0627 5.1387 5.2161 5.2433 5.2821 5.7219 5.7544 5.8182 5.8219 8.0251 8.0414 8.5444 8.5805 8.6969 8.7135 8.7902 8.8013 8.9725 9.0077 10.4695 10.4740 11.6918 11.6933 k = 0.0976 0.5000 0.0976 ( 6330 PWs) bands (ev): -48.6171 -48.6171 -26.2899 -26.2899 -24.2226 -24.2226 -24.2203 -24.2203 -6.8207 -6.8203 -6.4609 -6.4552 -6.1504 -6.1435 -6.1255 -6.1244 0.8003 0.8047 1.2342 1.2343 1.4290 1.4292 2.0896 2.0972 2.2598 2.2692 2.2837 2.2895 2.3304 2.3425 2.6089 2.6191 2.7398 2.7414 2.7598 2.7661 3.3957 3.3977 3.4223 3.4282 3.7133 3.7168 3.9976 4.0283 4.0935 4.1194 4.1439 4.1712 4.2391 4.3036 4.3058 4.3063 4.4149 4.4482 4.4794 4.5689 4.6315 4.6430 4.7116 4.7222 5.0429 5.0732 5.1464 5.1926 5.2304 5.2470 5.7322 5.7655 5.8212 5.8230 8.0043 8.0195 8.5617 8.5979 8.6836 8.6979 8.7877 8.7994 8.9508 8.9858 10.4566 10.4610 11.6668 11.6735 k = 0.0854 0.5000 0.0854 ( 6336 PWs) bands (ev): -48.6171 -48.6171 -26.2898 -26.2898 -24.2226 -24.2226 -24.2202 -24.2202 -6.8280 -6.8277 -6.4636 -6.4586 -6.1452 -6.1390 -6.1206 -6.1197 0.7890 0.7929 1.2323 1.2323 1.4306 1.4307 2.0898 2.0967 2.2639 2.2726 2.2846 2.2897 2.3292 2.3401 2.6079 2.6174 2.7450 2.7467 2.7654 2.7706 3.4121 3.4128 3.4391 3.4454 3.7059 3.7087 4.0012 4.0282 4.0965 4.1242 4.1444 4.1716 4.2330 4.2991 4.3076 4.3083 4.4062 4.4428 4.4633 4.5512 4.6468 4.6520 4.7177 4.7331 5.0540 5.0817 5.1516 5.1625 5.2148 5.2252 5.7444 5.7775 5.8243 5.8243 7.9854 7.9993 8.5766 8.6112 8.6713 8.6851 8.7897 8.8011 8.9292 8.9639 10.4432 10.4474 11.6405 11.6492 k = 0.0732 0.5000 0.0732 ( 6340 PWs) bands (ev): -48.6172 -48.6172 -26.2898 -26.2898 -24.2225 -24.2225 -24.2201 -24.2201 -6.8344 -6.8341 -6.4660 -6.4616 -6.1405 -6.1351 -6.1163 -6.1156 0.7790 0.7824 1.2304 1.2304 1.4318 1.4318 2.0899 2.0959 2.2676 2.2754 2.2854 2.2898 2.3285 2.3381 2.6077 2.6162 2.7496 2.7512 2.7703 2.7746 3.4269 3.4271 3.4546 3.4612 3.6987 3.7006 4.0057 4.0283 4.1000 4.1305 4.1451 4.1721 4.2266 4.2915 4.3087 4.3110 4.3996 4.4374 4.4493 4.5326 4.6621 4.6621 4.7230 4.7431 5.0626 5.0880 5.1354 5.1533 5.1875 5.2198 5.7575 5.7897 5.8256 5.8275 7.9688 7.9811 8.5863 8.6154 8.6647 8.6819 8.7941 8.8043 8.9080 8.9420 10.4298 10.4337 11.6164 11.6254 k = 0.0610 0.5000 0.0610 ( 6340 PWs) bands (ev): -48.6172 -48.6172 -26.2898 -26.2898 -24.2225 -24.2225 -24.2200 -24.2200 -6.8398 -6.8396 -6.4679 -6.4643 -6.1365 -6.1318 -6.1126 -6.1121 0.7704 0.7732 1.2287 1.2287 1.4326 1.4327 2.0899 2.0950 2.2709 2.2777 2.2864 2.2900 2.3281 2.3363 2.6080 2.6154 2.7535 2.7550 2.7744 2.7779 3.4398 3.4404 3.4685 3.4752 3.6917 3.6927 4.0107 4.0285 4.1043 4.1381 4.1460 4.1726 4.2201 4.2809 4.3096 4.3134 4.3958 4.4323 4.4379 4.5137 4.6725 4.6770 4.7273 4.7514 5.0668 5.0913 5.1152 5.1460 5.1720 5.2135 5.7707 5.8008 5.8272 5.8307 7.9546 7.9651 8.5882 8.6091 8.6674 8.6906 8.7996 8.8079 8.8874 8.9203 10.4172 10.4206 11.5956 11.6040 k = 0.0488 0.5000 0.0488 ( 6344 PWs) bands (ev): -48.6172 -48.6172 -26.2897 -26.2897 -24.2225 -24.2225 -24.2200 -24.2200 -6.8443 -6.8442 -6.4695 -6.4666 -6.1330 -6.1292 -6.1095 -6.1091 0.7633 0.7656 1.2272 1.2272 1.4332 1.4333 2.0898 2.0940 2.2734 2.2791 2.2875 2.2902 2.3282 2.3348 2.6087 2.6148 2.7568 2.7581 2.7778 2.7805 3.4510 3.4519 3.4808 3.4871 3.6851 3.6853 4.0157 4.0289 4.1096 4.1467 4.1467 4.1731 4.2139 4.2679 4.3104 4.3153 4.3948 4.4273 4.4294 4.4950 4.6827 4.6913 4.7307 4.7575 5.0632 5.0899 5.1060 5.1313 5.1697 5.2066 5.7830 5.8096 5.8295 5.8339 7.9430 7.9515 8.5839 8.5983 8.6785 8.7055 8.8054 8.8110 8.8678 8.8987 10.4060 10.4088 11.5787 11.5858 k = 0.0366 0.5000 0.0366 ( 6358 PWs) bands (ev): -48.6173 -48.6173 -26.2897 -26.2897 -24.2225 -24.2225 -24.2200 -24.2200 -6.8478 -6.8477 -6.4706 -6.4684 -6.1302 -6.1273 -6.1071 -6.1068 0.7578 0.7595 1.2259 1.2260 1.4336 1.4337 2.0899 2.0930 2.2755 2.2798 2.2885 2.2905 2.3285 2.3334 2.6096 2.6143 2.7594 2.7605 2.7804 2.7825 3.4603 3.4611 3.4911 3.4965 3.6789 3.6793 4.0201 4.0291 4.1158 4.1466 4.1560 4.1736 4.2083 4.2531 4.3113 4.3163 4.3966 4.4227 4.4243 4.4771 4.6923 4.7039 4.7335 4.7608 5.0546 5.0813 5.1059 5.1218 5.1709 5.1994 5.7937 5.8148 5.8331 5.8370 7.9340 7.9405 8.5778 8.5875 8.6939 8.7217 8.8109 8.8131 8.8502 8.8777 10.3967 10.3989 11.5658 11.5713 k = 0.0244 0.5000 0.0244 ( 6350 PWs) bands (ev): -48.6172 -48.6172 -26.2897 -26.2897 -24.2225 -24.2225 -24.2199 -24.2199 -6.8503 -6.8503 -6.4713 -6.4699 -6.1280 -6.1261 -6.1053 -6.1051 0.7539 0.7550 1.2251 1.2251 1.4339 1.4340 2.0900 2.0922 2.2771 2.2800 2.2896 2.2908 2.3290 2.3323 2.6106 2.6138 2.7613 2.7621 2.7824 2.7838 3.4672 3.4678 3.4992 3.5033 3.6740 3.6746 4.0237 4.0292 4.1229 4.1451 4.1654 4.1744 4.2045 4.2379 4.3123 4.3163 4.4006 4.4184 4.4228 4.4604 4.7010 4.7127 4.7374 4.7609 5.0477 5.0686 5.1088 5.1182 5.1733 5.1926 5.8023 5.8165 5.8372 5.8397 7.9279 7.9323 8.5726 8.5787 8.7106 8.7356 8.8139 8.8158 8.8365 8.8574 10.3899 10.3913 11.5568 11.5606 k = 0.0122 0.5000 0.0122 ( 6354 PWs) bands (ev): -48.6172 -48.6172 -26.2897 -26.2897 -24.2225 -24.2225 -24.2199 -24.2199 -6.8518 -6.8518 -6.4716 -6.4709 -6.1265 -6.1255 -6.1042 -6.1041 0.7516 0.7522 1.2246 1.2246 1.4341 1.4341 2.0903 2.0914 2.2783 2.2797 2.2904 2.2910 2.3296 2.3313 2.6116 2.6132 2.7626 2.7630 2.7837 2.7844 3.4716 3.4719 3.5048 3.5070 3.6710 3.6714 4.0263 4.0289 4.1300 4.1418 4.1728 4.1755 4.2046 4.2233 4.3134 4.3156 4.4056 4.4143 4.4257 4.4455 4.7082 4.7156 4.7439 4.7576 5.0455 5.0568 5.1119 5.1164 5.1767 5.1864 5.8088 5.8157 5.8404 5.8414 7.9246 7.9268 8.5696 8.5726 8.7265 8.7426 8.8157 8.8199 8.8282 8.8389 10.3858 10.3865 11.5518 11.5538 k = 0.0000 0.5000-0.0000 ( 6382 PWs) bands (ev): -48.6174 -48.6174 -26.2897 -26.2897 -24.2225 -24.2225 -24.2199 -24.2199 -6.8523 -6.8523 -6.4715 -6.4715 -6.1257 -6.1257 -6.1038 -6.1038 0.7511 0.7511 1.2244 1.2244 1.4341 1.4341 2.0907 2.0907 2.2791 2.2791 2.2908 2.2908 2.3303 2.3303 2.6125 2.6125 2.7631 2.7631 2.7844 2.7844 3.4732 3.4732 3.5074 3.5074 3.6701 3.6701 4.0280 4.0280 4.1365 4.1365 4.1758 4.1758 4.2112 4.2112 4.3145 4.3145 4.4101 4.4101 4.4334 4.4334 4.7134 4.7134 4.7514 4.7514 5.0487 5.0487 5.1144 5.1144 5.1810 5.1810 5.8132 5.8132 5.8418 5.8418 7.9242 7.9242 8.5695 8.5695 8.7387 8.7387 8.8235 8.8235 8.8240 8.8240 10.3846 10.3846 11.5508 11.5508 k = 0.5000 0.5000-0.0000 ( 6256 PWs) bands (ev): -48.6167 -48.6167 -26.2906 -26.2906 -24.2238 -24.2238 -24.2212 -24.2212 -6.5899 -6.5899 -6.3798 -6.3798 -6.3479 -6.3479 -6.2233 -6.2233 1.1384 1.1384 1.2714 1.2714 1.2862 1.2862 2.2118 2.2118 2.3122 2.3122 2.4075 2.4075 2.4077 2.4077 2.4126 2.4126 2.6230 2.6230 2.7381 2.7381 3.0101 3.0101 3.0419 3.0419 3.8010 3.8010 4.0763 4.0763 4.1179 4.1179 4.1648 4.1648 4.2840 4.2840 4.3160 4.3160 4.3278 4.3278 4.6926 4.6926 4.7224 4.7224 4.7713 4.7713 4.8590 4.8590 4.8846 4.8846 5.4755 5.4755 5.4857 5.4857 6.0915 6.0915 8.4730 8.4730 8.4865 8.4865 8.5521 8.5521 9.2075 9.2075 9.2084 9.2084 11.1993 11.1993 11.2036 11.2036 k = 0.5000 0.5000 0.0172 ( 6272 PWs) bands (ev): -48.6167 -48.6167 -26.2906 -26.2906 -24.2238 -24.2238 -24.2212 -24.2212 -6.5895 -6.5895 -6.3798 -6.3798 -6.3479 -6.3479 -6.2235 -6.2235 1.1385 1.1385 1.2709 1.2709 1.2858 1.2858 2.2121 2.2121 2.3115 2.3115 2.4054 2.4054 2.4077 2.4077 2.4111 2.4111 2.6272 2.6272 2.7377 2.7377 3.0101 3.0101 3.0418 3.0418 3.8015 3.8015 4.0766 4.0766 4.1170 4.1170 4.1655 4.1655 4.2836 4.2836 4.3153 4.3153 4.3282 4.3282 4.6906 4.6906 4.7228 4.7228 4.7708 4.7708 4.8575 4.8575 4.8856 4.8856 5.4763 5.4763 5.4892 5.4892 6.0919 6.0919 8.4571 8.4571 8.4941 8.4941 8.5617 8.5617 9.2078 9.2078 9.2093 9.2093 11.1964 11.1964 11.2006 11.2006 k = 0.5000 0.5000 0.0345 ( 6280 PWs) bands (ev): -48.6168 -48.6168 -26.2906 -26.2906 -24.2238 -24.2238 -24.2212 -24.2212 -6.5885 -6.5885 -6.3797 -6.3797 -6.3478 -6.3478 -6.2240 -6.2240 1.1388 1.1388 1.2696 1.2696 1.2845 1.2845 2.2129 2.2129 2.3091 2.3091 2.3948 2.3948 2.4082 2.4082 2.4119 2.4119 2.6389 2.6389 2.7367 2.7367 3.0101 3.0101 3.0418 3.0418 3.8033 3.8033 4.0773 4.0773 4.1144 4.1144 4.1675 4.1675 4.2825 4.2825 4.3134 4.3134 4.3293 4.3293 4.6853 4.6853 4.7235 4.7235 4.7695 4.7695 4.8535 4.8535 4.8880 4.8880 5.4801 5.4801 5.4985 5.4985 6.0934 6.0934 8.4327 8.4327 8.4984 8.4984 8.5856 8.5856 9.2090 9.2090 9.2116 9.2116 11.1877 11.1877 11.1918 11.1918 k = 0.5000 0.5000 0.0517 ( 6272 PWs) bands (ev): -48.6167 -48.6167 -26.2906 -26.2906 -24.2238 -24.2238 -24.2213 -24.2213 -6.5868 -6.5868 -6.3796 -6.3796 -6.3477 -6.3477 -6.2249 -6.2249 1.1393 1.1393 1.2673 1.2673 1.2823 1.2823 2.2144 2.2144 2.3045 2.3045 2.3790 2.3790 2.4092 2.4092 2.4141 2.4141 2.6558 2.6558 2.7350 2.7350 3.0101 3.0101 3.0417 3.0417 3.8062 3.8062 4.0784 4.0784 4.1107 4.1107 4.1705 4.1705 4.2807 4.2807 4.3111 4.3111 4.3306 4.3306 4.6777 4.6777 4.7235 4.7235 4.7672 4.7672 4.8479 4.8479 4.8909 4.8909 5.4878 5.4878 5.5124 5.5124 6.0959 6.0959 8.4076 8.4076 8.4992 8.4992 8.6165 8.6165 9.2114 9.2114 9.2150 9.2150 11.1735 11.1735 11.1774 11.1774 k = 0.5000 0.5000 0.0690 ( 6296 PWs) bands (ev): -48.6169 -48.6169 -26.2907 -26.2907 -24.2238 -24.2238 -24.2213 -24.2213 -6.5845 -6.5845 -6.3794 -6.3794 -6.3476 -6.3476 -6.2261 -6.2261 1.1399 1.1399 1.2641 1.2641 1.2793 1.2793 2.2164 2.2164 2.2967 2.2967 2.3618 2.3618 2.4110 2.4110 2.4170 2.4170 2.6759 2.6759 2.7325 2.7325 3.0101 3.0101 3.0416 3.0416 3.8102 3.8102 4.0797 4.0797 4.1063 4.1063 4.1740 4.1740 4.2779 4.2779 4.3086 4.3086 4.3317 4.3317 4.6683 4.6683 4.7223 4.7223 4.7639 4.7639 4.8412 4.8412 4.8936 4.8936 5.4999 5.4999 5.5303 5.5303 6.0993 6.0993 8.3833 8.3833 8.4983 8.4983 8.6507 8.6507 9.2147 9.2147 9.2194 9.2194 11.1539 11.1539 11.1576 11.1576 k = 0.5000 0.5000 0.0862 ( 6296 PWs) bands (ev): -48.6169 -48.6169 -26.2907 -26.2907 -24.2238 -24.2238 -24.2214 -24.2214 -6.5814 -6.5814 -6.3791 -6.3791 -6.3474 -6.3474 -6.2277 -6.2277 1.1407 1.1407 1.2602 1.2602 1.2756 1.2756 2.2190 2.2190 2.2840 2.2840 2.3465 2.3465 2.4134 2.4134 2.4208 2.4208 2.6978 2.6978 2.7295 2.7295 3.0100 3.0100 3.0414 3.0414 3.8153 3.8153 4.0809 4.0809 4.1019 4.1019 4.1779 4.1779 4.2743 4.2743 4.3065 4.3065 4.3328 4.3328 4.6577 4.6577 4.7197 4.7197 4.7597 4.7597 4.8338 4.8338 4.8958 4.8958 5.5164 5.5164 5.5518 5.5518 6.1036 6.1036 8.3604 8.3604 8.4965 8.4965 8.6870 8.6870 9.2190 9.2190 9.2248 9.2248 11.1295 11.1295 11.1329 11.1329 k = 0.5000 0.5000 0.1034 ( 6308 PWs) bands (ev): -48.6169 -48.6169 -26.2907 -26.2907 -24.2238 -24.2238 -24.2215 -24.2215 -6.5778 -6.5778 -6.3788 -6.3788 -6.3472 -6.3472 -6.2297 -6.2297 1.1415 1.1415 1.2554 1.2554 1.2710 1.2710 2.2221 2.2221 2.2656 2.2656 2.3353 2.3353 2.4165 2.4165 2.4252 2.4252 2.7202 2.7202 2.7259 2.7259 3.0099 3.0099 3.0412 3.0412 3.8214 3.8214 4.0809 4.0809 4.0988 4.0988 4.1818 4.1818 4.2698 4.2698 4.3048 4.3048 4.3338 4.3338 4.6461 4.6461 4.7157 4.7157 4.7542 4.7542 4.8257 4.8257 4.8971 4.8971 5.5371 5.5371 5.5766 5.5766 6.1087 6.1087 8.3394 8.3394 8.4940 8.4940 8.7247 8.7247 9.2241 9.2241 9.2308 9.2308 11.1005 11.1005 11.1037 11.1037 k = 0.5000 0.5000 0.1207 ( 6292 PWs) bands (ev): -48.6168 -48.6168 -26.2907 -26.2907 -24.2238 -24.2238 -24.2216 -24.2216 -6.5735 -6.5735 -6.3785 -6.3785 -6.3469 -6.3469 -6.2320 -6.2320 1.1423 1.1423 1.2500 1.2500 1.2658 1.2658 2.2257 2.2257 2.2426 2.2426 2.3276 2.3276 2.4204 2.4204 2.4302 2.4302 2.7214 2.7214 2.7431 2.7431 3.0097 3.0097 3.0408 3.0408 3.8285 3.8285 4.0786 4.0786 4.0982 4.0982 4.1858 4.1858 4.2646 4.2646 4.3036 4.3036 4.3349 4.3349 4.6338 4.6338 4.7105 4.7105 4.7475 4.7475 4.8172 4.8172 4.8975 4.8975 5.5618 5.5618 5.6045 5.6045 6.1146 6.1146 8.3206 8.3206 8.4910 8.4910 8.7635 8.7635 9.2298 9.2298 9.2375 9.2375 11.0677 11.0677 11.0707 11.0707 k = 0.5000 0.5000 0.1379 ( 6300 PWs) bands (ev): -48.6169 -48.6169 -26.2908 -26.2908 -24.2238 -24.2238 -24.2217 -24.2217 -6.5687 -6.5687 -6.3781 -6.3781 -6.3466 -6.3466 -6.2347 -6.2347 1.1431 1.1431 1.2439 1.2439 1.2600 1.2600 2.2169 2.2169 2.2300 2.2300 2.3222 2.3222 2.4249 2.4249 2.4359 2.4359 2.7165 2.7165 2.7654 2.7654 3.0094 3.0094 3.0403 3.0403 3.8364 3.8364 4.0741 4.0741 4.1002 4.1002 4.1896 4.1896 4.2588 4.2588 4.3028 4.3028 4.3359 4.3359 4.6207 4.6207 4.7041 4.7041 4.7395 4.7395 4.8082 4.8082 4.8967 4.8967 5.5901 5.5901 5.6351 5.6351 6.1213 6.1213 8.3040 8.3040 8.4875 8.4875 8.8029 8.8029 9.2358 9.2358 9.2445 9.2445 11.0317 11.0317 11.0345 11.0345 k = 0.5000 0.5000 0.1552 ( 6312 PWs) bands (ev): -48.6169 -48.6169 -26.2908 -26.2908 -24.2238 -24.2238 -24.2218 -24.2218 -6.5632 -6.5632 -6.3777 -6.3777 -6.3463 -6.3463 -6.2378 -6.2378 1.1437 1.1437 1.2372 1.2372 1.2537 1.2537 2.1901 2.1901 2.2347 2.2347 2.3182 2.3182 2.4301 2.4301 2.4422 2.4422 2.7110 2.7110 2.7870 2.7870 3.0090 3.0090 3.0396 3.0396 3.8451 3.8451 4.0685 4.0685 4.1036 4.1036 4.1931 4.1931 4.2528 4.2528 4.3024 4.3024 4.3371 4.3371 4.6070 4.6070 4.6966 4.6966 4.7301 4.7301 4.7988 4.7988 4.8944 4.8944 5.6217 5.6217 5.6682 5.6682 6.1286 6.1286 8.2898 8.2898 8.4836 8.4836 8.8427 8.8427 9.2421 9.2421 9.2515 9.2515 10.9930 10.9930 10.9959 10.9959 k = 0.5000 0.5000 0.1724 ( 6312 PWs) bands (ev): -48.6169 -48.6169 -26.2909 -26.2909 -24.2238 -24.2238 -24.2219 -24.2219 -6.5572 -6.5572 -6.3773 -6.3773 -6.3460 -6.3460 -6.2412 -6.2412 1.1442 1.1442 1.2301 1.2301 1.2468 1.2468 2.1628 2.1628 2.2398 2.2398 2.3152 2.3152 2.4359 2.4359 2.4491 2.4491 2.7051 2.7051 2.8079 2.8079 3.0085 3.0085 3.0387 3.0387 3.8545 3.8545 4.0627 4.0627 4.1079 4.1079 4.1964 4.1964 4.2467 4.2467 4.3023 4.3023 4.3385 4.3385 4.5928 4.5928 4.6884 4.6884 4.7196 4.7196 4.7893 4.7893 4.8907 4.8907 5.6561 5.6561 5.7034 5.7034 6.1364 6.1364 8.2782 8.2782 8.4794 8.4794 8.8826 8.8826 9.2482 9.2482 9.2585 9.2585 10.9524 10.9524 10.9556 10.9556 k = 0.5000 0.5000 0.1897 ( 6312 PWs) bands (ev): -48.6169 -48.6169 -26.2909 -26.2909 -24.2238 -24.2238 -24.2220 -24.2220 -6.5507 -6.5507 -6.3768 -6.3768 -6.3457 -6.3457 -6.2449 -6.2449 1.1444 1.1444 1.2226 1.2226 1.2396 1.2396 2.1356 2.1356 2.2454 2.2454 2.3132 2.3132 2.4423 2.4423 2.4565 2.4565 2.6986 2.6986 2.8277 2.8277 3.0079 3.0079 3.0376 3.0376 3.8644 3.8644 4.0570 4.0570 4.1127 4.1127 4.1992 4.1992 4.2408 4.2408 4.3026 4.3026 4.3402 4.3402 4.5782 4.5782 4.6792 4.6792 4.7081 4.7081 4.7797 4.7797 4.8854 4.8854 5.6930 5.6930 5.7404 5.7404 6.1447 6.1447 8.2694 8.2694 8.4749 8.4749 8.9221 8.9221 9.2540 9.2540 9.2649 9.2649 10.9108 10.9108 10.9143 10.9143 k = 0.5000 0.5000 0.2069 ( 6312 PWs) bands (ev): -48.6169 -48.6169 -26.2910 -26.2910 -24.2238 -24.2238 -24.2222 -24.2222 -6.5437 -6.5437 -6.3764 -6.3764 -6.3453 -6.3453 -6.2490 -6.2490 1.1443 1.1443 1.2149 1.2149 1.2321 1.2321 2.1088 2.1088 2.2515 2.2515 2.3119 2.3119 2.4492 2.4492 2.4645 2.4645 2.6917 2.6917 2.8465 2.8465 3.0071 3.0071 3.0362 3.0362 3.8747 3.8747 4.0518 4.0518 4.1179 4.1179 4.2013 4.2013 4.2355 4.2355 4.3030 4.3030 4.3422 4.3422 4.5634 4.5634 4.6691 4.6691 4.6962 4.6962 4.7698 4.7698 4.8783 4.8783 5.7318 5.7318 5.7788 5.7788 6.1534 6.1534 8.2633 8.2633 8.4702 8.4702 8.9609 8.9609 9.2591 9.2591 9.2707 9.2707 10.8688 10.8688 10.8728 10.8728 k = 0.5000 0.5000 0.2241 ( 6312 PWs) bands (ev): -48.6169 -48.6169 -26.2910 -26.2910 -24.2238 -24.2238 -24.2223 -24.2223 -6.5363 -6.5363 -6.3759 -6.3759 -6.3449 -6.3449 -6.2535 -6.2535 1.1438 1.1438 1.2070 1.2070 1.2244 1.2244 2.0826 2.0826 2.2579 2.2579 2.3115 2.3115 2.4566 2.4566 2.4728 2.4728 2.6844 2.6844 2.8641 2.8641 3.0061 3.0061 3.0346 3.0346 3.8850 3.8850 4.0473 4.0473 4.1235 4.1235 4.2024 4.2024 4.2310 4.2310 4.3035 4.3035 4.3447 4.3447 4.5484 4.5484 4.6578 4.6578 4.6843 4.6843 4.7599 4.7599 4.8694 4.8694 5.7721 5.7721 5.8184 5.8184 6.1624 6.1624 8.2600 8.2600 8.4653 8.4653 8.9986 8.9986 9.2633 9.2633 9.2754 9.2754 10.8272 10.8272 10.8318 10.8318 k = 0.5000 0.5000 0.2414 ( 6304 PWs) bands (ev): -48.6169 -48.6169 -26.2911 -26.2911 -24.2238 -24.2238 -24.2224 -24.2224 -6.5284 -6.5284 -6.3754 -6.3754 -6.3445 -6.3445 -6.2583 -6.2583 1.1430 1.1430 1.1991 1.1991 1.2165 1.2165 2.0574 2.0574 2.2647 2.2647 2.3118 2.3118 2.4644 2.4644 2.4816 2.4816 2.6768 2.6768 2.8805 2.8805 3.0049 3.0049 3.0327 3.0327 3.8952 3.8952 4.0440 4.0440 4.1292 4.1292 4.2022 4.2022 4.2280 4.2280 4.3040 4.3040 4.3475 4.3475 4.5335 4.5335 4.6453 4.6453 4.6730 4.6730 4.7499 4.7499 4.8587 4.8587 5.8135 5.8135 5.8588 5.8588 6.1715 6.1715 8.2595 8.2595 8.4603 8.4603 9.0346 9.0346 9.2664 9.2664 9.2789 9.2789 10.7867 10.7867 10.7919 10.7919 k = 0.5000 0.5000 0.2586 ( 6304 PWs) bands (ev): -48.6169 -48.6169 -26.2911 -26.2911 -24.2238 -24.2238 -24.2226 -24.2226 -6.5202 -6.5202 -6.3749 -6.3749 -6.3442 -6.3442 -6.2635 -6.2635 1.1417 1.1417 1.1913 1.1913 1.2087 1.2087 2.0331 2.0331 2.2718 2.2718 2.3130 2.3130 2.4726 2.4726 2.4907 2.4907 2.6690 2.6690 2.8956 2.8956 3.0035 3.0035 3.0305 3.0305 3.9049 3.9049 4.0419 4.0419 4.1351 4.1351 4.2006 4.2006 4.2266 4.2266 4.3042 4.3042 4.3509 4.3509 4.5189 4.5189 4.6315 4.6315 4.6626 4.6626 4.7397 4.7397 4.8462 4.8462 5.8555 5.8555 5.8994 5.8994 6.1808 6.1808 8.2618 8.2618 8.4552 8.4552 9.0684 9.0684 9.2682 9.2682 9.2809 9.2809 10.7479 10.7479 10.7537 10.7537 k = 0.5000 0.5000 0.2759 ( 6300 PWs) bands (ev): -48.6168 -48.6168 -26.2912 -26.2912 -24.2238 -24.2238 -24.2227 -24.2227 -6.5116 -6.5116 -6.3745 -6.3745 -6.3438 -6.3438 -6.2689 -6.2689 1.1399 1.1399 1.1839 1.1839 1.2009 1.2009 2.0100 2.0100 2.2791 2.2791 2.3149 2.3149 2.4810 2.4810 2.5000 2.5000 2.6609 2.6609 2.9095 2.9095 3.0020 3.0020 3.0280 3.0280 3.9137 3.9137 4.0416 4.0416 4.1410 4.1410 4.1977 4.1977 4.2268 4.2268 4.3041 4.3041 4.3547 4.3547 4.5047 4.5047 4.6167 4.6167 4.6531 4.6531 4.7295 4.7295 4.8320 4.8320 5.8975 5.8975 5.9400 5.9400 6.1900 6.1900 8.2667 8.2667 8.4501 8.4501 9.0995 9.0995 9.2684 9.2684 9.2812 9.2812 10.7114 10.7114 10.7177 10.7177 k = 0.5000 0.5000 0.2931 ( 6308 PWs) bands (ev): -48.6169 -48.6169 -26.2912 -26.2912 -24.2238 -24.2238 -24.2229 -24.2229 -6.5028 -6.5028 -6.3741 -6.3741 -6.3434 -6.3434 -6.2747 -6.2747 1.1376 1.1376 1.1768 1.1768 1.1932 1.1932 1.9882 1.9882 2.2866 2.2866 2.3175 2.3175 2.4895 2.4895 2.5093 2.5093 2.6529 2.6529 2.9221 2.9221 3.0003 3.0003 3.0252 3.0252 3.9211 3.9211 4.0434 4.0434 4.1469 4.1469 4.1943 4.1943 4.2279 4.2279 4.3036 4.3036 4.3590 4.3590 4.4912 4.4912 4.6014 4.6014 4.6444 4.6444 4.7192 4.7192 4.8160 4.8160 5.9391 5.9391 5.9800 5.9800 6.1991 6.1991 8.2742 8.2742 8.4450 8.4450 9.1272 9.1272 9.2669 9.2669 9.2798 9.2798 10.6777 10.6777 10.6844 10.6844 k = 0.5000 0.5000 0.3103 ( 6292 PWs) bands (ev): -48.6168 -48.6168 -26.2912 -26.2912 -24.2238 -24.2238 -24.2230 -24.2230 -6.4937 -6.4937 -6.3737 -6.3737 -6.3431 -6.3431 -6.2808 -6.2808 1.1348 1.1348 1.1703 1.1703 1.1858 1.1858 1.9678 1.9678 2.2943 2.2943 2.3207 2.3207 2.4980 2.4980 2.5185 2.5185 2.6449 2.6449 2.9335 2.9335 2.9986 2.9986 3.0221 3.0221 3.9270 3.9270 4.0475 4.0475 4.1528 4.1528 4.1907 4.1907 4.2296 4.2296 4.3024 4.3024 4.3637 4.3637 4.4789 4.4789 4.5862 4.5862 4.6367 4.6367 4.7090 4.7090 4.7985 4.7985 5.9799 5.9799 6.0190 6.0190 6.2081 6.2081 8.2839 8.2839 8.4401 8.4401 9.1513 9.1513 9.2639 9.2639 9.2766 9.2766 10.6471 10.6471 10.6537 10.6537 k = 0.5000 0.5000 0.3276 ( 6300 PWs) bands (ev): -48.6168 -48.6168 -26.2913 -26.2913 -24.2238 -24.2238 -24.2231 -24.2231 -6.4845 -6.4845 -6.3734 -6.3734 -6.3427 -6.3427 -6.2872 -6.2872 1.1315 1.1315 1.1644 1.1644 1.1788 1.1788 1.9489 1.9489 2.3020 2.3020 2.3244 2.3244 2.5064 2.5064 2.5275 2.5275 2.6370 2.6370 2.9436 2.9436 2.9967 2.9967 3.0188 3.0188 3.9311 3.9311 4.0538 4.0538 4.1584 4.1584 4.1871 4.1871 4.2319 4.2319 4.3004 4.3004 4.3687 4.3687 4.4677 4.4677 4.5711 4.5711 4.6296 4.6296 4.6987 4.6987 4.7798 4.7798 6.0194 6.0194 6.0565 6.0565 6.2168 6.2168 8.2956 8.2956 8.4354 8.4354 9.1711 9.1711 9.2593 9.2593 9.2718 9.2718 10.6197 10.6197 10.6256 10.6256 k = 0.5000 0.5000 0.3448 ( 6304 PWs) bands (ev): -48.6168 -48.6168 -26.2913 -26.2913 -24.2238 -24.2238 -24.2232 -24.2232 -6.4751 -6.4751 -6.3732 -6.3732 -6.3424 -6.3424 -6.2938 -6.2938 1.1278 1.1278 1.1593 1.1593 1.1721 1.1721 1.9316 1.9316 2.3096 2.3096 2.3285 2.3285 2.5147 2.5147 2.5359 2.5359 2.6296 2.6296 2.9526 2.9526 2.9948 2.9948 3.0154 3.0154 3.9337 3.9337 4.0621 4.0621 4.1638 4.1638 4.1838 4.1838 4.2344 4.2344 4.2975 4.2975 4.3740 4.3740 4.4580 4.4580 4.5567 4.5567 4.6234 4.6234 4.6886 4.6886 4.7600 4.7600 6.0570 6.0570 6.0921 6.0921 6.2253 6.2253 8.3089 8.3089 8.4309 8.4309 9.1865 9.1865 9.2534 9.2534 9.2655 9.2655 10.5956 10.5956 10.5994 10.5994 k = 0.5000 0.5000 0.3621 ( 6284 PWs) bands (ev): -48.6167 -48.6167 -26.2914 -26.2914 -24.2238 -24.2238 -24.2233 -24.2233 -6.4656 -6.4656 -6.3730 -6.3730 -6.3421 -6.3421 -6.3005 -6.3005 1.1238 1.1238 1.1549 1.1549 1.1660 1.1660 1.9159 1.9159 2.3172 2.3172 2.3328 2.3328 2.5226 2.5226 2.5436 2.5436 2.6229 2.6229 2.9605 2.9605 2.9930 2.9930 3.0118 3.0118 3.9352 3.9352 4.0721 4.0721 4.1687 4.1687 4.1807 4.1807 4.2374 4.2374 4.2938 4.2938 4.3794 4.3794 4.4500 4.4500 4.5433 4.5433 4.6182 4.6182 4.6787 4.6787 4.7396 4.7396 6.0924 6.0924 6.1252 6.1252 6.2336 6.2336 8.3234 8.3234 8.4267 8.4267 9.1974 9.1974 9.2465 9.2465 9.2581 9.2581 10.5740 10.5740 10.5765 10.5765 k = 0.5000 0.5000 0.3793 ( 6292 PWs) bands (ev): -48.6168 -48.6168 -26.2914 -26.2914 -24.2238 -24.2238 -24.2235 -24.2235 -6.4561 -6.4561 -6.3731 -6.3731 -6.3418 -6.3418 -6.3074 -6.3074 1.1198 1.1198 1.1511 1.1511 1.1604 1.1604 1.9019 1.9019 2.3244 2.3244 2.3371 2.3371 2.5300 2.5300 2.5501 2.5501 2.6171 2.6171 2.9672 2.9672 2.9912 2.9912 3.0081 3.0081 3.9356 3.9356 4.0831 4.0831 4.1731 4.1731 4.1778 4.1778 4.2405 4.2405 4.2891 4.2891 4.3848 4.3848 4.4437 4.4437 4.5312 4.5312 4.6139 4.6139 4.6690 4.6690 4.7187 4.7187 6.1249 6.1249 6.1550 6.1550 6.2416 6.2416 8.3385 8.3385 8.4229 8.4229 9.2042 9.2042 9.2389 9.2389 9.2499 9.2499 10.5546 10.5546 10.5588 10.5588 k = 0.5000 0.5000 0.3966 ( 6276 PWs) bands (ev): -48.6167 -48.6167 -26.2914 -26.2914 -24.2238 -24.2238 -24.2235 -24.2235 -6.4467 -6.4467 -6.3733 -6.3733 -6.3416 -6.3416 -6.3142 -6.3142 1.1159 1.1159 1.1480 1.1480 1.1554 1.1554 1.8896 1.8896 2.3312 2.3312 2.3413 2.3413 2.5368 2.5368 2.5551 2.5551 2.6128 2.6128 2.9728 2.9728 2.9897 2.9897 3.0046 3.0046 3.9356 3.9356 4.0946 4.0946 4.1752 4.1752 4.1770 4.1770 4.2439 4.2439 4.2837 4.2837 4.3901 4.3901 4.4390 4.4390 4.5208 4.5208 4.6107 4.6107 4.6598 4.6598 4.6980 4.6980 6.1542 6.1542 6.1810 6.1810 6.2498 6.2498 8.3536 8.3536 8.4194 8.4194 9.2072 9.2072 9.2312 9.2312 9.2414 9.2414 10.5394 10.5394 10.5445 10.5445 k = 0.5000 0.5000 0.4138 ( 6260 PWs) bands (ev): -48.6166 -48.6166 -26.2915 -26.2915 -24.2238 -24.2238 -24.2236 -24.2236 -6.4375 -6.4375 -6.3738 -6.3738 -6.3413 -6.3413 -6.3209 -6.3209 1.1124 1.1124 1.1453 1.1453 1.1510 1.1510 1.8792 1.8792 2.3375 2.3375 2.3452 2.3452 2.5428 2.5428 2.5582 2.5582 2.6102 2.6102 2.9774 2.9774 2.9885 2.9885 3.0011 3.0011 3.9352 3.9352 4.1063 4.1063 4.1726 4.1726 4.1802 4.1802 4.2473 4.2473 4.2778 4.2778 4.3952 4.3952 4.4355 4.4355 4.5126 4.5126 4.6087 4.6087 4.6509 4.6509 4.6778 4.6778 6.1799 6.1799 6.2024 6.2024 6.2583 6.2583 8.3681 8.3681 8.4165 8.4165 9.2073 9.2073 9.2238 9.2238 9.2331 9.2331 10.5282 10.5282 10.5332 10.5332 k = 0.5000 0.5000 0.4310 ( 6256 PWs) bands (ev): -48.6166 -48.6166 -26.2915 -26.2915 -24.2238 -24.2238 -24.2237 -24.2237 -6.4286 -6.4286 -6.3748 -6.3748 -6.3412 -6.3412 -6.3272 -6.3272 1.1093 1.1093 1.1432 1.1432 1.1474 1.1474 1.8706 1.8706 2.3430 2.3430 2.3486 2.3486 2.5479 2.5479 2.5594 2.5594 2.6091 2.6091 2.9809 2.9809 2.9878 2.9878 2.9979 2.9979 3.9346 3.9346 4.1176 4.1176 4.1699 4.1699 4.1828 4.1828 4.2506 4.2506 4.2718 4.2718 4.4001 4.4001 4.4326 4.4326 4.5070 4.5070 4.6078 4.6078 4.6426 4.6426 4.6590 4.6590 6.2015 6.2015 6.2185 6.2185 6.2672 6.2672 8.3813 8.3813 8.4139 8.4139 9.2053 9.2053 9.2173 9.2173 9.2252 9.2252 10.5204 10.5204 10.5244 10.5244 k = 0.5000 0.5000 0.4483 ( 6244 PWs) bands (ev): -48.6165 -48.6165 -26.2915 -26.2915 -24.2238 -24.2238 -24.2237 -24.2237 -6.4203 -6.4203 -6.3762 -6.3762 -6.3410 -6.3410 -6.3327 -6.3327 1.1068 1.1068 1.1417 1.1417 1.1445 1.1445 1.8639 1.8639 2.3476 2.3476 2.3514 2.3514 2.5520 2.5520 2.5593 2.5593 2.6093 2.6093 2.9831 2.9831 2.9879 2.9879 2.9950 2.9950 3.9341 3.9341 4.1282 4.1282 4.1669 4.1669 4.1848 4.1848 4.2535 4.2535 4.2663 4.2663 4.4048 4.4048 4.4297 4.4297 4.5040 4.5040 4.6082 4.6082 4.6350 4.6350 4.6422 4.6422 6.2187 6.2187 6.2296 6.2296 6.2760 6.2760 8.3925 8.3925 8.4120 8.4120 9.2024 9.2024 9.2120 9.2120 9.2183 9.2183 10.5152 10.5152 10.5180 10.5180 k = 0.5000 0.5000 0.4655 ( 6264 PWs) bands (ev): -48.6166 -48.6166 -26.2915 -26.2915 -24.2238 -24.2238 -24.2238 -24.2238 -6.4130 -6.4130 -6.3783 -6.3783 -6.3409 -6.3409 -6.3371 -6.3371 1.1050 1.1050 1.1406 1.1406 1.1423 1.1423 1.8591 1.8591 2.3510 2.3510 2.3534 2.3534 2.5550 2.5550 2.5586 2.5586 2.6100 2.6100 2.9841 2.9841 2.9886 2.9886 2.9927 2.9927 3.9336 3.9336 4.1379 4.1379 4.1634 4.1634 4.1862 4.1862 4.2557 4.2557 4.2618 4.2618 4.4093 4.4093 4.4263 4.4263 4.5032 4.5032 4.6097 4.6097 4.6281 4.6281 4.6287 4.6287 6.2312 6.2312 6.2364 6.2364 6.2836 6.2836 8.4011 8.4011 8.4105 8.4105 9.1996 9.1996 9.2082 9.2082 9.2127 9.2127 10.5120 10.5120 10.5135 10.5135 k = 0.5000 0.5000 0.4828 ( 6272 PWs) bands (ev): -48.6167 -48.6167 -26.2915 -26.2915 -24.2238 -24.2238 -24.2238 -24.2238 -6.4075 -6.4075 -6.3804 -6.3804 -6.3409 -6.3409 -6.3399 -6.3399 1.1038 1.1038 1.1401 1.1401 1.1409 1.1409 1.8562 1.8562 2.3534 2.3534 2.3544 2.3544 2.5569 2.5569 2.5579 2.5579 2.6106 2.6106 2.9845 2.9845 2.9894 2.9894 2.9910 2.9910 3.9333 3.9333 4.1462 4.1462 4.1589 4.1589 4.1869 4.1869 4.2571 4.2571 4.2588 4.2588 4.4138 4.4138 4.4224 4.4224 4.5036 4.5036 4.6123 4.6123 4.6195 4.6195 4.6223 4.6223 6.2388 6.2388 6.2401 6.2401 6.2887 6.2887 8.4065 8.4065 8.4095 8.4095 9.1976 9.1976 9.2063 9.2063 9.2086 9.2086 10.5103 10.5103 10.5109 10.5109 k = 0.5000 0.5000 0.5000 ( 6272 PWs) bands (ev): -48.6167 -48.6167 -26.2915 -26.2915 -24.2238 -24.2238 -24.2238 -24.2238 -6.4053 -6.4053 -6.3814 -6.3814 -6.3408 -6.3408 -6.3408 -6.3408 1.1034 1.1034 1.1401 1.1401 1.1401 1.1401 1.8552 1.8552 2.3545 2.3545 2.3545 2.3545 2.5575 2.5575 2.5575 2.5575 2.6109 2.6109 2.9847 2.9847 2.9900 2.9900 2.9900 2.9900 3.9332 3.9332 4.1532 4.1532 4.1532 4.1532 4.1872 4.1872 4.2577 4.2577 4.2577 4.2577 4.4182 4.4182 4.4182 4.4182 4.5039 4.5039 4.6154 4.6154 4.6154 4.6154 4.6190 4.6190 6.2413 6.2413 6.2413 6.2413 6.2904 6.2904 8.4088 8.4088 8.4088 8.4088 9.1969 9.1969 9.2065 9.2065 9.2065 9.2065 10.5099 10.5099 10.5099 10.5099 Writing output data file NbCu3S4.save init_run : 5.11s CPU 13.95s WALL ( 1 calls) electrons : 1351.44s CPU 1363.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.33s CPU 1.39s WALL ( 1 calls) Called by electrons: c_bands : 1351.39s CPU 1363.18s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.89s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.09s CPU 0.59s WALL ( 1 calls) newd : 0.83s CPU 0.91s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.13s WALL ( 225 calls) cegterg : 1285.88s CPU 1295.34s WALL ( 592 calls) Called by sum_band: Called by *egterg: h_psi : 418.52s CPU 426.09s WALL ( 10426 calls) s_psi : 86.14s CPU 86.43s WALL ( 10426 calls) g_psi : 1.12s CPU 1.15s WALL ( 9609 calls) cdiaghg : 603.67s CPU 602.29s WALL ( 9834 calls) cegterg:over : 103.44s CPU 100.95s WALL ( 9609 calls) cegterg:upda : 35.06s CPU 37.28s WALL ( 9609 calls) cegterg:last : 25.76s CPU 26.11s WALL ( 1321 calls) Called by h_psi: h_psi:vloc : 262.65s CPU 267.80s WALL ( 10426 calls) h_psi:vnl : 155.16s CPU 157.11s WALL ( 10426 calls) add_vuspsi : 66.09s CPU 69.39s WALL ( 10426 calls) General routines calbec : 89.01s CPU 87.63s WALL ( 10426 calls) fft : 0.42s CPU 1.36s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 249.30s CPU 252.00s WALL ( 1345864 calls) interpolate : 0.08s CPU 0.09s WALL ( 4 calls) davcio : 0.02s CPU 1.36s WALL ( 450 calls) Parallel routines fft_scatter : 167.53s CPU 168.35s WALL ( 1345887 calls) PWSCF : 23m43.43s CPU 25m47.85s WALL This run was terminated on: 11:57:22 1Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=