Program PWSCF v.5.1.1 starts on 1Nov2015 at 14: 6:15 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: ./TaCu3S4.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 47 33 9 1711 989 153 Max 49 34 10 1714 1006 158 Sum 2285 1597 465 82201 47833 7441 bravais-lattice index = 14 lattice parameter (alat) = 10.4199 a.u. unit-cell volume = 1131.3495 (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 = 46.0000 Ry charge density cutoff = 265.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.419949 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 Ta read from file: /home/autes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf 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 1273 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) Ta 13.00 180.94790 Ta( 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: 82201 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 47833 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 244, 84) NL pseudopotentials 0.51 Mb ( 122, 272) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1712) G-vector shells 0.00 Mb ( 425) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.25 Mb ( 244, 336) Each subspace H/S matrix 1.72 Mb ( 336, 336) Each matrix 0.70 Mb ( 272, 2, 84) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./TaCu3S4.save/charge-density.dat Starting wfc are 106 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 51.5 secs Computing kpt #: 2 total cpu time spent up to now is 60.7 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 70.9 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 81.3 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 91.3 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 102.0 secs Computing kpt #: 7 total cpu time spent up to now is 108.9 secs Computing kpt #: 8 total cpu time spent up to now is 115.7 secs Computing kpt #: 9 total cpu time spent up to now is 121.8 secs Computing kpt #: 10 total cpu time spent up to now is 127.5 secs Computing kpt #: 11 total cpu time spent up to now is 133.1 secs Computing kpt #: 12 total cpu time spent up to now is 138.9 secs Computing kpt #: 13 total cpu time spent up to now is 144.6 secs Computing kpt #: 14 total cpu time spent up to now is 149.5 secs Computing kpt #: 15 total cpu time spent up to now is 154.4 secs Computing kpt #: 16 total cpu time spent up to now is 159.5 secs Computing kpt #: 17 total cpu time spent up to now is 164.3 secs Computing kpt #: 18 total cpu time spent up to now is 169.0 secs Computing kpt #: 19 total cpu time spent up to now is 173.8 secs Computing kpt #: 20 total cpu time spent up to now is 179.6 secs Computing kpt #: 21 total cpu time spent up to now is 184.4 secs Computing kpt #: 22 total cpu time spent up to now is 189.2 secs Computing kpt #: 23 total cpu time spent up to now is 194.1 secs Computing kpt #: 24 total cpu time spent up to now is 200.0 secs Computing kpt #: 25 total cpu time spent up to now is 204.9 secs Computing kpt #: 26 total cpu time spent up to now is 209.8 secs Computing kpt #: 27 total cpu time spent up to now is 214.7 secs Computing kpt #: 28 total cpu time spent up to now is 219.6 secs Computing kpt #: 29 total cpu time spent up to now is 224.3 secs Computing kpt #: 30 total cpu time spent up to now is 229.1 secs Computing kpt #: 31 total cpu time spent up to now is 233.8 secs Computing kpt #: 32 total cpu time spent up to now is 238.7 secs Computing kpt #: 33 total cpu time spent up to now is 243.6 secs Computing kpt #: 34 total cpu time spent up to now is 248.5 secs Computing kpt #: 35 total cpu time spent up to now is 253.5 secs Computing kpt #: 36 total cpu time spent up to now is 258.5 secs Computing kpt #: 37 total cpu time spent up to now is 263.6 secs Computing kpt #: 38 total cpu time spent up to now is 269.0 secs Computing kpt #: 39 total cpu time spent up to now is 274.0 secs Computing kpt #: 40 total cpu time spent up to now is 279.2 secs Computing kpt #: 41 total cpu time spent up to now is 284.1 secs Computing kpt #: 42 total cpu time spent up to now is 289.0 secs Computing kpt #: 43 total cpu time spent up to now is 293.9 secs Computing kpt #: 44 total cpu time spent up to now is 298.6 secs Computing kpt #: 45 total cpu time spent up to now is 303.4 secs Computing kpt #: 46 total cpu time spent up to now is 308.0 secs Computing kpt #: 47 total cpu time spent up to now is 312.6 secs Computing kpt #: 48 total cpu time spent up to now is 317.3 secs Computing kpt #: 49 total cpu time spent up to now is 322.0 secs Computing kpt #: 50 total cpu time spent up to now is 326.5 secs Computing kpt #: 51 total cpu time spent up to now is 331.0 secs Computing kpt #: 52 total cpu time spent up to now is 335.5 secs Computing kpt #: 53 total cpu time spent up to now is 340.0 secs Computing kpt #: 54 total cpu time spent up to now is 344.5 secs Computing kpt #: 55 total cpu time spent up to now is 349.0 secs Computing kpt #: 56 total cpu time spent up to now is 353.5 secs Computing kpt #: 57 total cpu time spent up to now is 358.3 secs Computing kpt #: 58 total cpu time spent up to now is 363.1 secs Computing kpt #: 59 total cpu time spent up to now is 368.2 secs Computing kpt #: 60 total cpu time spent up to now is 373.1 secs Computing kpt #: 61 total cpu time spent up to now is 378.0 secs Computing kpt #: 62 total cpu time spent up to now is 382.9 secs Computing kpt #: 63 total cpu time spent up to now is 387.8 secs Computing kpt #: 64 total cpu time spent up to now is 392.6 secs Computing kpt #: 65 total cpu time spent up to now is 397.3 secs Computing kpt #: 66 total cpu time spent up to now is 401.9 secs Computing kpt #: 67 total cpu time spent up to now is 406.4 secs Computing kpt #: 68 total cpu time spent up to now is 410.9 secs Computing kpt #: 69 total cpu time spent up to now is 415.5 secs Computing kpt #: 70 total cpu time spent up to now is 420.2 secs Computing kpt #: 71 total cpu time spent up to now is 424.8 secs Computing kpt #: 72 total cpu time spent up to now is 429.5 secs Computing kpt #: 73 total cpu time spent up to now is 434.4 secs Computing kpt #: 74 total cpu time spent up to now is 439.3 secs Computing kpt #: 75 total cpu time spent up to now is 444.3 secs Computing kpt #: 76 total cpu time spent up to now is 449.4 secs Computing kpt #: 77 total cpu time spent up to now is 454.6 secs Computing kpt #: 78 total cpu time spent up to now is 460.0 secs Computing kpt #: 79 total cpu time spent up to now is 465.3 secs Computing kpt #: 80 total cpu time spent up to now is 470.6 secs Computing kpt #: 81 total cpu time spent up to now is 476.4 secs Computing kpt #: 82 total cpu time spent up to now is 483.2 secs Computing kpt #: 83 total cpu time spent up to now is 488.6 secs Computing kpt #: 84 total cpu time spent up to now is 493.7 secs Computing kpt #: 85 total cpu time spent up to now is 498.8 secs Computing kpt #: 86 total cpu time spent up to now is 503.9 secs Computing kpt #: 87 total cpu time spent up to now is 508.8 secs Computing kpt #: 88 total cpu time spent up to now is 513.9 secs Computing kpt #: 89 total cpu time spent up to now is 521.2 secs Computing kpt #: 90 total cpu time spent up to now is 529.6 secs Computing kpt #: 91 total cpu time spent up to now is 539.0 secs Computing kpt #: 92 total cpu time spent up to now is 547.5 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 557.8 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 568.2 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 578.8 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 589.4 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 600.0 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 611.7 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 622.4 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 633.3 secs Computing kpt #: 101 total cpu time spent up to now is 642.7 secs Computing kpt #: 102 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 652.4 secs Computing kpt #: 103 total cpu time spent up to now is 660.9 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 671.0 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 681.3 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 691.5 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 701.7 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 711.9 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 722.2 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 732.6 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 742.8 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 753.1 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 763.5 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 773.8 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 786.0 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 796.3 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 807.5 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 817.9 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 828.1 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 838.2 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 848.5 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 858.9 secs Computing kpt #: 123 total cpu time spent up to now is 866.1 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 876.1 secs Computing kpt #: 125 total cpu time spent up to now is 882.3 secs Computing kpt #: 126 total cpu time spent up to now is 887.3 secs Computing kpt #: 127 total cpu time spent up to now is 894.2 secs Computing kpt #: 128 total cpu time spent up to now is 900.0 secs Computing kpt #: 129 total cpu time spent up to now is 905.1 secs Computing kpt #: 130 total cpu time spent up to now is 910.1 secs Computing kpt #: 131 total cpu time spent up to now is 916.0 secs Computing kpt #: 132 total cpu time spent up to now is 921.7 secs Computing kpt #: 133 total cpu time spent up to now is 926.6 secs Computing kpt #: 134 total cpu time spent up to now is 931.5 secs Computing kpt #: 135 total cpu time spent up to now is 937.6 secs Computing kpt #: 136 total cpu time spent up to now is 943.7 secs Computing kpt #: 137 total cpu time spent up to now is 948.5 secs Computing kpt #: 138 total cpu time spent up to now is 953.2 secs Computing kpt #: 139 total cpu time spent up to now is 958.1 secs Computing kpt #: 140 total cpu time spent up to now is 962.8 secs Computing kpt #: 141 total cpu time spent up to now is 967.8 secs Computing kpt #: 142 total cpu time spent up to now is 972.5 secs Computing kpt #: 143 total cpu time spent up to now is 977.1 secs Computing kpt #: 144 total cpu time spent up to now is 981.7 secs Computing kpt #: 145 total cpu time spent up to now is 986.4 secs Computing kpt #: 146 total cpu time spent up to now is 991.1 secs Computing kpt #: 147 total cpu time spent up to now is 995.7 secs Computing kpt #: 148 total cpu time spent up to now is 1000.4 secs Computing kpt #: 149 total cpu time spent up to now is 1005.3 secs Computing kpt #: 150 total cpu time spent up to now is 1010.0 secs Computing kpt #: 151 total cpu time spent up to now is 1014.5 secs Computing kpt #: 152 total cpu time spent up to now is 1019.0 secs Computing kpt #: 153 total cpu time spent up to now is 1023.4 secs Computing kpt #: 154 total cpu time spent up to now is 1027.8 secs Computing kpt #: 155 total cpu time spent up to now is 1032.3 secs Computing kpt #: 156 total cpu time spent up to now is 1036.9 secs Computing kpt #: 157 total cpu time spent up to now is 1041.6 secs Computing kpt #: 158 total cpu time spent up to now is 1046.3 secs Computing kpt #: 159 total cpu time spent up to now is 1051.0 secs Computing kpt #: 160 total cpu time spent up to now is 1056.4 secs Computing kpt #: 161 total cpu time spent up to now is 1061.2 secs Computing kpt #: 162 total cpu time spent up to now is 1065.9 secs Computing kpt #: 163 total cpu time spent up to now is 1070.6 secs Computing kpt #: 164 total cpu time spent up to now is 1075.5 secs Computing kpt #: 165 total cpu time spent up to now is 1080.9 secs Computing kpt #: 166 total cpu time spent up to now is 1085.5 secs Computing kpt #: 167 total cpu time spent up to now is 1090.1 secs Computing kpt #: 168 total cpu time spent up to now is 1094.6 secs Computing kpt #: 169 total cpu time spent up to now is 1099.3 secs Computing kpt #: 170 total cpu time spent up to now is 1104.0 secs Computing kpt #: 171 total cpu time spent up to now is 1108.4 secs Computing kpt #: 172 total cpu time spent up to now is 1112.7 secs Computing kpt #: 173 total cpu time spent up to now is 1117.4 secs Computing kpt #: 174 total cpu time spent up to now is 1122.0 secs Computing kpt #: 175 total cpu time spent up to now is 1126.7 secs Computing kpt #: 176 total cpu time spent up to now is 1131.3 secs Computing kpt #: 177 total cpu time spent up to now is 1136.1 secs Computing kpt #: 178 total cpu time spent up to now is 1140.7 secs Computing kpt #: 179 total cpu time spent up to now is 1145.4 secs Computing kpt #: 180 total cpu time spent up to now is 1150.2 secs Computing kpt #: 181 total cpu time spent up to now is 1154.8 secs Computing kpt #: 182 total cpu time spent up to now is 1159.5 secs Computing kpt #: 183 total cpu time spent up to now is 1164.3 secs Computing kpt #: 184 total cpu time spent up to now is 1169.1 secs Computing kpt #: 185 total cpu time spent up to now is 1174.0 secs Computing kpt #: 186 total cpu time spent up to now is 1179.0 secs Computing kpt #: 187 total cpu time spent up to now is 1184.0 secs Computing kpt #: 188 total cpu time spent up to now is 1190.0 secs Computing kpt #: 189 total cpu time spent up to now is 1195.2 secs Computing kpt #: 190 total cpu time spent up to now is 1200.1 secs Computing kpt #: 191 total cpu time spent up to now is 1205.1 secs Computing kpt #: 192 total cpu time spent up to now is 1210.1 secs Computing kpt #: 193 total cpu time spent up to now is 1215.1 secs Computing kpt #: 194 total cpu time spent up to now is 1220.1 secs Computing kpt #: 195 total cpu time spent up to now is 1224.9 secs Computing kpt #: 196 total cpu time spent up to now is 1229.9 secs Computing kpt #: 197 total cpu time spent up to now is 1234.7 secs Computing kpt #: 198 total cpu time spent up to now is 1239.6 secs Computing kpt #: 199 total cpu time spent up to now is 1244.6 secs Computing kpt #: 200 total cpu time spent up to now is 1249.6 secs Computing kpt #: 201 total cpu time spent up to now is 1254.8 secs Computing kpt #: 202 total cpu time spent up to now is 1259.7 secs Computing kpt #: 203 total cpu time spent up to now is 1264.9 secs Computing kpt #: 204 total cpu time spent up to now is 1269.9 secs Computing kpt #: 205 total cpu time spent up to now is 1274.9 secs Computing kpt #: 206 total cpu time spent up to now is 1279.8 secs Computing kpt #: 207 total cpu time spent up to now is 1284.7 secs Computing kpt #: 208 total cpu time spent up to now is 1289.6 secs Computing kpt #: 209 total cpu time spent up to now is 1294.5 secs Computing kpt #: 210 total cpu time spent up to now is 1299.5 secs Computing kpt #: 211 total cpu time spent up to now is 1304.5 secs Computing kpt #: 212 total cpu time spent up to now is 1309.4 secs Computing kpt #: 213 total cpu time spent up to now is 1314.2 secs Computing kpt #: 214 total cpu time spent up to now is 1319.0 secs Computing kpt #: 215 total cpu time spent up to now is 1323.8 secs Computing kpt #: 216 total cpu time spent up to now is 1329.6 secs Computing kpt #: 217 total cpu time spent up to now is 1334.4 secs Computing kpt #: 218 total cpu time spent up to now is 1339.2 secs Computing kpt #: 219 total cpu time spent up to now is 1343.7 secs Computing kpt #: 220 total cpu time spent up to now is 1348.6 secs Computing kpt #: 221 total cpu time spent up to now is 1353.2 secs Computing kpt #: 222 total cpu time spent up to now is 1357.8 secs Computing kpt #: 223 total cpu time spent up to now is 1362.4 secs Computing kpt #: 224 total cpu time spent up to now is 1367.1 secs Computing kpt #: 225 total cpu time spent up to now is 1371.6 secs ethr = 1.43E-11, avg # of iterations = 45.4 total cpu time spent up to now is 1371.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -61.6927 -61.6927 -34.6061 -34.6061 -25.9529 -25.9529 -25.9529 -25.9529 -7.1675 -7.1675 -6.1206 -6.1206 -6.0219 -6.0219 -6.0219 -6.0219 0.7017 0.7017 0.7017 0.7017 1.1670 1.1670 2.3274 2.3274 2.3274 2.3274 2.3864 2.3864 2.9930 2.9930 3.0310 3.0310 3.0310 3.0310 3.3569 3.3569 3.4895 3.4895 3.4895 3.4895 3.5990 3.5990 3.5990 3.5990 4.2447 4.2447 4.4155 4.4155 4.4155 4.4155 4.5256 4.5256 4.5256 4.5256 4.5439 4.5439 4.8038 4.8038 4.9755 4.9755 4.9755 4.9755 4.9887 4.9887 6.0454 6.0454 6.0454 6.0454 6.1519 6.1519 8.2454 8.2454 8.2617 8.2617 8.2617 8.2617 8.3698 8.3698 8.6092 8.6092 8.6092 8.6092 12.1857 12.1857 k = 0.0000 0.0172-0.0000 ( 6031 PWs) bands (ev): -61.6927 -61.6927 -34.6061 -34.6061 -25.9529 -25.9529 -25.9529 -25.9529 -7.1669 -7.1669 -6.1209 -6.1209 -6.0224 -6.0224 -6.0219 -6.0219 0.7021 0.7021 0.7033 0.7033 1.1679 1.1679 2.3266 2.3266 2.3278 2.3278 2.3861 2.3861 2.9923 2.9923 3.0295 3.0295 3.0311 3.0311 3.3557 3.3557 3.4858 3.4858 3.4901 3.4901 3.5996 3.5996 3.6029 3.6029 4.2443 4.2443 4.4074 4.4074 4.4227 4.4227 4.5206 4.5206 4.5304 4.5304 4.5437 4.5437 4.8041 4.8041 4.9720 4.9720 4.9788 4.9788 4.9886 4.9886 6.0433 6.0433 6.0447 6.0447 6.1505 6.1505 8.2419 8.2419 8.2569 8.2569 8.2653 8.2653 8.3824 8.3824 8.6045 8.6045 8.6158 8.6158 12.1857 12.1857 k = 0.0000 0.0345-0.0000 ( 6007 PWs) bands (ev): -61.6927 -61.6927 -34.6060 -34.6060 -25.9529 -25.9529 -25.9528 -25.9528 -7.1650 -7.1650 -6.1216 -6.1216 -6.0240 -6.0240 -6.0219 -6.0219 0.7040 0.7040 0.7072 0.7072 1.1707 1.1707 2.3240 2.3240 2.3288 2.3288 2.3854 2.3854 2.9901 2.9901 3.0260 3.0260 3.0305 3.0305 3.3518 3.3518 3.4776 3.4776 3.4904 3.4904 3.6013 3.6013 3.6135 3.6135 4.2432 4.2432 4.3990 4.3990 4.4288 4.4288 4.5155 4.5155 4.5348 4.5348 4.5435 4.5435 4.8052 4.8052 4.9684 4.9684 4.9817 4.9817 4.9887 4.9887 6.0369 6.0369 6.0426 6.0426 6.1462 6.1462 8.2267 8.2267 8.2592 8.2592 8.2705 8.2705 8.4134 8.4134 8.6013 8.6013 8.6244 8.6244 12.1859 12.1859 k = 0.0000 0.0517-0.0000 ( 5991 PWs) bands (ev): -61.6927 -61.6927 -34.6060 -34.6060 -25.9529 -25.9529 -25.9528 -25.9528 -7.1618 -7.1618 -6.1230 -6.1230 -6.0265 -6.0265 -6.0219 -6.0219 0.7073 0.7073 0.7135 0.7135 1.1753 1.1753 2.3193 2.3193 2.3304 2.3304 2.3847 2.3847 2.9858 2.9858 3.0208 3.0208 3.0294 3.0294 3.3450 3.3450 3.4671 3.4671 3.4908 3.4908 3.6040 3.6040 3.6284 3.6284 4.2413 4.2413 4.3902 4.3902 4.4332 4.4332 4.5106 4.5106 4.5378 4.5378 4.5442 4.5442 4.8068 4.8068 4.9646 4.9646 4.9835 4.9835 4.9899 4.9899 6.0261 6.0261 6.0391 6.0391 6.1395 6.1395 8.2072 8.2072 8.2672 8.2672 8.2786 8.2786 8.4550 8.4550 8.5994 8.5994 8.6355 8.6355 12.1858 12.1858 k = 0.0000 0.0690-0.0000 ( 5987 PWs) bands (ev): -61.6927 -61.6927 -34.6060 -34.6060 -25.9529 -25.9529 -25.9528 -25.9528 -7.1573 -7.1573 -6.1250 -6.1250 -6.0299 -6.0299 -6.0219 -6.0219 0.7119 0.7119 0.7224 0.7224 1.1817 1.1817 2.3120 2.3120 2.3327 2.3327 2.3842 2.3842 2.9785 2.9785 3.0149 3.0149 3.0278 3.0278 3.3346 3.3346 3.4562 3.4562 3.4913 3.4913 3.6076 3.6076 3.6460 3.6460 4.2385 4.2385 4.3815 4.3815 4.4353 4.4353 4.5063 4.5063 4.5381 4.5381 4.5472 4.5472 4.8089 4.8089 4.9604 4.9604 4.9833 4.9833 4.9929 4.9929 6.0110 6.0110 6.0343 6.0343 6.1307 6.1307 8.1880 8.1880 8.2787 8.2787 8.2898 8.2898 8.5032 8.5032 8.5988 8.5988 8.6496 8.6496 12.1800 12.1800 k = 0.0000 0.0862-0.0000 ( 5967 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9529 -25.9529 -25.9528 -25.9528 -7.1516 -7.1516 -6.1278 -6.1278 -6.0340 -6.0340 -6.0219 -6.0219 0.7178 0.7178 0.7337 0.7337 1.1900 1.1900 2.3020 2.3020 2.3356 2.3356 2.3846 2.3846 2.9676 2.9676 3.0093 3.0093 3.0258 3.0258 3.3205 3.3205 3.4464 3.4464 3.4920 3.4920 3.6121 3.6121 3.6653 3.6653 4.2350 4.2350 4.3729 4.3729 4.4347 4.4347 4.5030 4.5030 4.5370 4.5370 4.5515 4.5515 4.8112 4.8112 4.9560 4.9560 4.9821 4.9821 4.9969 4.9969 5.9918 5.9918 6.0283 6.0283 6.1203 6.1203 8.1704 8.1704 8.2931 8.2931 8.3040 8.3040 8.5550 8.5550 8.6003 8.6003 8.6675 8.6675 12.1547 12.1547 k = 0.0000 0.1034-0.0000 ( 5963 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9529 -25.9529 -25.9528 -25.9528 -7.1447 -7.1447 -6.1316 -6.1316 -6.0387 -6.0387 -6.0219 -6.0219 0.7249 0.7249 0.7474 0.7474 1.2001 1.2001 2.2889 2.2889 2.3390 2.3390 2.3858 2.3858 2.9528 2.9528 3.0044 3.0044 3.0234 3.0234 3.3023 3.3023 3.4382 3.4382 3.4928 3.4928 3.6172 3.6172 3.6856 3.6856 4.2307 4.2307 4.3646 4.3646 4.4310 4.4310 4.5008 4.5008 4.5354 4.5354 4.5561 4.5561 4.8138 4.8138 4.9513 4.9513 4.9803 4.9803 5.0016 5.0016 5.9685 5.9685 6.0213 6.0213 6.1087 6.1087 8.1544 8.1544 8.3096 8.3096 8.3213 8.3213 8.5926 8.5926 8.6183 8.6183 8.6920 8.6920 12.1203 12.1203 k = 0.0000 0.1207-0.0000 ( 5967 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9530 -25.9530 -25.9528 -25.9528 -7.1366 -7.1366 -6.1364 -6.1364 -6.0436 -6.0436 -6.0219 -6.0219 0.7332 0.7332 0.7635 0.7635 1.2121 1.2121 2.2730 2.2730 2.3431 2.3431 2.3879 2.3879 2.9345 2.9345 3.0000 3.0000 3.0207 3.0207 3.2804 3.2804 3.4317 3.4317 3.4938 3.4938 3.6228 3.6228 3.7067 3.7067 4.2256 4.2256 4.3567 4.3567 4.4246 4.4246 4.4997 4.4997 4.5337 4.5337 4.5607 4.5607 4.8163 4.8163 4.9464 4.9464 4.9783 4.9783 5.0066 5.0066 5.9417 5.9417 6.0133 6.0133 6.0962 6.0962 8.1401 8.1401 8.3276 8.3276 8.3416 8.3416 8.5987 8.5987 8.6619 8.6619 8.7305 8.7305 12.0823 12.0823 k = 0.0000 0.1379-0.0000 ( 5959 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9531 -25.9531 -25.9528 -25.9528 -7.1273 -7.1273 -6.1427 -6.1427 -6.0486 -6.0486 -6.0219 -6.0219 0.7427 0.7427 0.7818 0.7818 1.2259 1.2259 2.2543 2.2543 2.3476 2.3476 2.3909 2.3909 2.9134 2.9134 2.9960 2.9960 3.0176 3.0176 3.2551 3.2551 3.4265 3.4265 3.4950 3.4950 3.6288 3.6288 3.7285 3.7285 4.2198 4.2198 4.3492 4.3492 4.4160 4.4160 4.4990 4.4990 4.5321 4.5321 4.5652 4.5652 4.8189 4.8189 4.9415 4.9415 4.9762 4.9762 5.0119 5.0119 5.9119 5.9119 6.0045 6.0045 6.0830 6.0830 8.1271 8.1271 8.3465 8.3465 8.3647 8.3647 8.6025 8.6025 8.6962 8.6962 8.7885 8.7885 12.0424 12.0424 k = 0.0000 0.1552-0.0000 ( 5947 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9532 -25.9532 -25.9528 -25.9528 -7.1169 -7.1169 -6.1504 -6.1504 -6.0533 -6.0533 -6.0220 -6.0220 0.7533 0.7533 0.8023 0.8023 1.2416 1.2416 2.2331 2.2331 2.3527 2.3527 2.3947 2.3947 2.8899 2.8899 2.9920 2.9920 3.0142 3.0142 3.2268 3.2268 3.4223 3.4223 3.4963 3.4963 3.6351 3.6351 3.7509 3.7509 4.2134 4.2134 4.3421 4.3421 4.4058 4.4058 4.4984 4.4984 4.5305 4.5305 4.5693 4.5693 4.8215 4.8215 4.9365 4.9365 4.9741 4.9741 5.0175 5.0175 5.8796 5.8796 5.9951 5.9951 6.0694 6.0694 8.1154 8.1154 8.3659 8.3659 8.3901 8.3901 8.6073 8.6073 8.7243 8.7243 8.8590 8.8590 12.0015 12.0015 k = 0.0000 0.1724-0.0000 ( 5963 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9533 -25.9533 -25.9528 -25.9528 -7.1054 -7.1054 -6.1598 -6.1598 -6.0577 -6.0577 -6.0220 -6.0220 0.7648 0.7648 0.8248 0.8248 1.2592 1.2592 2.2096 2.2096 2.3582 2.3582 2.3990 2.3990 2.8643 2.8643 2.9879 2.9879 3.0105 3.0105 3.1958 3.1958 3.4189 3.4189 3.4977 3.4977 3.6415 3.6415 3.7737 3.7737 4.2065 4.2065 4.3355 4.3355 4.3947 4.3947 4.4971 4.4971 4.5289 4.5289 4.5729 4.5729 4.8241 4.8241 4.9316 4.9316 4.9721 4.9721 5.0232 5.0232 5.8454 5.8454 5.9852 5.9852 6.0553 6.0553 8.1046 8.1046 8.3853 8.3853 8.4174 8.4174 8.6134 8.6134 8.7509 8.7509 8.9365 8.9365 11.9606 11.9606 k = 0.0000 0.1897-0.0000 ( 5963 PWs) bands (ev): -61.6926 -61.6926 -34.6061 -34.6061 -25.9534 -25.9534 -25.9528 -25.9528 -7.0929 -7.0929 -6.1709 -6.1709 -6.0615 -6.0615 -6.0220 -6.0220 0.7773 0.7773 0.8494 0.8494 1.2786 1.2786 2.1839 2.1839 2.3640 2.3640 2.4039 2.4039 2.8371 2.8371 2.9838 2.9838 3.0065 3.0065 3.1624 3.1624 3.4160 3.4160 3.4992 3.4992 3.6480 3.6480 3.7970 3.7970 4.1993 4.1993 4.3292 4.3292 4.3830 4.3830 4.4954 4.4954 4.5275 4.5275 4.5756 4.5756 4.8267 4.8267 4.9270 4.9270 4.9704 4.9704 5.0290 5.0290 5.8099 5.8099 5.9750 5.9750 6.0411 6.0411 8.0946 8.0946 8.4043 8.4043 8.4461 8.4461 8.6214 8.6214 8.7775 8.7775 9.0185 9.0185 11.9203 11.9203 k = 0.0000 0.2069-0.0000 ( 5971 PWs) bands (ev): -61.6926 -61.6926 -34.6061 -34.6061 -25.9535 -25.9535 -25.9528 -25.9528 -7.0794 -7.0794 -6.1837 -6.1837 -6.0648 -6.0648 -6.0221 -6.0221 0.7906 0.7906 0.8758 0.8758 1.2999 1.2999 2.1562 2.1562 2.3702 2.3702 2.4092 2.4092 2.8086 2.8086 2.9795 2.9795 3.0024 3.0024 3.1268 3.1268 3.4135 3.4135 3.5009 3.5009 3.6545 3.6545 3.8205 3.8205 4.1919 4.1919 4.3232 4.3232 4.3710 4.3710 4.4927 4.4927 4.5263 4.5263 4.5773 4.5773 4.8294 4.8294 4.9226 4.9226 4.9693 4.9693 5.0348 5.0348 5.7734 5.7734 5.9645 5.9645 6.0268 6.0268 8.0853 8.0853 8.4222 8.4222 8.4758 8.4758 8.6314 8.6314 8.8045 8.8045 9.1039 9.1039 11.8811 11.8811 k = 0.0000 0.2241-0.0000 ( 5971 PWs) bands (ev): -61.6926 -61.6926 -34.6061 -34.6061 -25.9536 -25.9536 -25.9528 -25.9528 -7.0649 -7.0649 -6.1980 -6.1980 -6.0675 -6.0675 -6.0221 -6.0221 0.8047 0.8047 0.9039 0.9039 1.3229 1.3229 2.1269 2.1269 2.3767 2.3767 2.4148 2.4148 2.7791 2.7791 2.9752 2.9752 2.9981 2.9981 3.0893 3.0893 3.4112 3.4112 3.5027 3.5027 3.6609 3.6609 3.8444 3.8444 4.1845 4.1845 4.3175 4.3175 4.3591 4.3591 4.4893 4.4893 4.5252 4.5252 4.5778 4.5778 4.8321 4.8321 4.9186 4.9186 4.9689 4.9689 5.0405 5.0405 5.7364 5.7364 5.9540 5.9540 6.0125 6.0125 8.0765 8.0765 8.4387 8.4387 8.5062 8.5062 8.6435 8.6435 8.8319 8.8319 9.1920 9.1920 11.8435 11.8435 k = 0.0000 0.2414-0.0000 ( 5955 PWs) bands (ev): -61.6926 -61.6926 -34.6061 -34.6061 -25.9537 -25.9537 -25.9528 -25.9528 -7.0497 -7.0497 -6.2137 -6.2137 -6.0697 -6.0697 -6.0221 -6.0221 0.8193 0.8193 0.9336 0.9336 1.3477 1.3477 2.0959 2.0959 2.3834 2.3834 2.4206 2.4206 2.7490 2.7490 2.9708 2.9708 2.9936 2.9936 3.0500 3.0500 3.4091 3.4091 3.5046 3.5046 3.6671 3.6671 3.8687 3.8687 4.1772 4.1772 4.3118 4.3118 4.3474 4.3474 4.4851 4.4851 4.5241 4.5241 4.5770 4.5770 4.8348 4.8348 4.9149 4.9149 4.9695 4.9695 5.0463 5.0463 5.6994 5.6994 5.9436 5.9436 5.9985 5.9985 8.0683 8.0683 8.4535 8.4535 8.5367 8.5367 8.6577 8.6577 8.8593 8.8593 9.2821 9.2821 11.8077 11.8077 k = 0.0000 0.2586-0.0000 ( 5954 PWs) bands (ev): -61.6926 -61.6926 -34.6061 -34.6061 -25.9538 -25.9538 -25.9528 -25.9528 -7.0337 -7.0337 -6.2305 -6.2305 -6.0715 -6.0715 -6.0222 -6.0222 0.8345 0.8345 0.9648 0.9648 1.3742 1.3742 2.0636 2.0636 2.3903 2.3903 2.4266 2.4266 2.7186 2.7186 2.9662 2.9662 2.9881 2.9881 3.0102 3.0102 3.4071 3.4071 3.5065 3.5065 3.6731 3.6731 3.8931 3.8931 4.1701 4.1701 4.3063 4.3063 4.3361 4.3361 4.4802 4.4802 4.5230 4.5230 4.5747 4.5747 4.8375 4.8375 4.9116 4.9116 4.9714 4.9714 5.0518 5.0518 5.6627 5.6627 5.9334 5.9334 5.9847 5.9847 8.0604 8.0604 8.4665 8.4665 8.5672 8.5672 8.6739 8.6739 8.8867 8.8867 9.3736 9.3736 11.7739 11.7739 k = 0.0000 0.2759-0.0000 ( 5954 PWs) bands (ev): -61.6926 -61.6926 -34.6061 -34.6061 -25.9540 -25.9540 -25.9528 -25.9528 -7.0170 -7.0170 -6.2483 -6.2483 -6.0729 -6.0729 -6.0222 -6.0222 0.8499 0.8499 0.9973 0.9973 1.4022 1.4022 2.0300 2.0300 2.3972 2.3972 2.4327 2.4327 2.6881 2.6881 2.9578 2.9578 2.9680 2.9680 2.9875 2.9875 3.4053 3.4053 3.5085 3.5085 3.6789 3.6789 3.9176 3.9176 4.1633 4.1633 4.3006 4.3006 4.3254 4.3254 4.4746 4.4746 4.5219 4.5219 4.5709 4.5709 4.8401 4.8401 4.9085 4.9085 4.9745 4.9745 5.0571 5.0571 5.6264 5.6264 5.9234 5.9234 5.9715 5.9715 8.0530 8.0530 8.4777 8.4777 8.5971 8.5971 8.6914 8.6914 8.9136 8.9136 9.4658 9.4658 11.7425 11.7425 k = 0.0000 0.2931-0.0000 ( 5950 PWs) bands (ev): -61.6926 -61.6926 -34.6061 -34.6061 -25.9541 -25.9541 -25.9528 -25.9528 -6.9998 -6.9998 -6.2669 -6.2669 -6.0741 -6.0741 -6.0222 -6.0222 0.8655 0.8655 1.0311 1.0311 1.4316 1.4316 1.9955 1.9955 2.4041 2.4041 2.4387 2.4387 2.6579 2.6579 2.9197 2.9197 2.9592 2.9592 2.9821 2.9821 3.4035 3.4035 3.5105 3.5105 3.6844 3.6844 3.9422 3.9422 4.1568 4.1568 4.2948 4.2948 4.3154 4.3154 4.4686 4.4686 4.5208 4.5208 4.5656 4.5656 4.8425 4.8425 4.9057 4.9057 4.9792 4.9792 5.0623 5.0623 5.5909 5.5909 5.9138 5.9138 5.9587 5.9587 8.0459 8.0459 8.4873 8.4873 8.6263 8.6263 8.7100 8.7100 8.9399 8.9399 9.5581 9.5581 11.7134 11.7134 k = 0.0000 0.3103-0.0000 ( 5942 PWs) bands (ev): -61.6926 -61.6926 -34.6061 -34.6061 -25.9541 -25.9541 -25.9527 -25.9527 -6.9821 -6.9821 -6.2860 -6.2860 -6.0750 -6.0750 -6.0223 -6.0223 0.8810 0.8810 1.0658 1.0658 1.4622 1.4622 1.9602 1.9602 2.4109 2.4109 2.4446 2.4446 2.6284 2.6284 2.8756 2.8756 2.9547 2.9547 2.9777 2.9777 3.4018 3.4018 3.5126 3.5126 3.6895 3.6895 3.9669 3.9669 4.1508 4.1508 4.2887 4.2887 4.3064 4.3064 4.4621 4.4621 4.5197 4.5197 4.5589 4.5589 4.8447 4.8447 4.9031 4.9031 4.9855 4.9855 5.0673 5.0673 5.5564 5.5564 5.9047 5.9047 5.9467 5.9467 8.0392 8.0392 8.4956 8.4956 8.6543 8.6543 8.7290 8.7290 8.9652 8.9652 9.6498 9.6498 11.6867 11.6867 k = 0.0000 0.3276-0.0000 ( 5934 PWs) bands (ev): -61.6926 -61.6926 -34.6061 -34.6061 -25.9542 -25.9542 -25.9528 -25.9528 -6.9643 -6.9643 -6.3055 -6.3055 -6.0758 -6.0758 -6.0223 -6.0223 0.8964 0.8964 1.1014 1.1014 1.4935 1.4935 1.9244 1.9244 2.4175 2.4175 2.4504 2.4504 2.5998 2.5998 2.8307 2.8307 2.9506 2.9506 2.9736 2.9736 3.4002 3.4002 3.5146 3.5146 3.6943 3.6943 3.9914 3.9914 4.1453 4.1453 4.2822 4.2822 4.2984 4.2984 4.4554 4.4554 4.5185 4.5185 4.5510 4.5510 4.8468 4.8468 4.9006 4.9006 4.9931 4.9931 5.0721 5.0721 5.5231 5.5231 5.8961 5.8961 5.9355 5.9355 8.0330 8.0330 8.5027 8.5027 8.6808 8.6808 8.7478 8.7478 8.9893 8.9893 9.7401 9.7401 11.6625 11.6625 k = 0.0000 0.3448-0.0000 ( 5938 PWs) bands (ev): -61.6926 -61.6926 -34.6061 -34.6061 -25.9543 -25.9543 -25.9528 -25.9528 -6.9464 -6.9464 -6.3250 -6.3250 -6.0764 -6.0764 -6.0223 -6.0223 0.9112 0.9112 1.1378 1.1378 1.5250 1.5250 1.8885 1.8885 2.4238 2.4238 2.4558 2.4558 2.5726 2.5726 2.7856 2.7856 2.9468 2.9468 2.9698 2.9698 3.3988 3.3988 3.5165 3.5165 3.6987 3.6987 4.0156 4.0156 4.1404 4.1404 4.2753 4.2753 4.2915 4.2915 4.4485 4.4485 4.5174 4.5174 4.5420 4.5420 4.8485 4.8485 4.8983 4.8983 5.0020 5.0020 5.0769 5.0769 5.4911 5.4911 5.8881 5.8881 5.9251 5.9251 8.0271 8.0271 8.5089 8.5089 8.7057 8.7057 8.7661 8.7661 9.0118 9.0118 9.8282 9.8282 11.6407 11.6407 k = 0.0000 0.3621-0.0000 ( 5950 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9544 -25.9544 -25.9528 -25.9528 -6.9286 -6.9286 -6.3443 -6.3443 -6.0769 -6.0769 -6.0224 -6.0224 0.9254 0.9254 1.1747 1.1747 1.5559 1.5559 1.8531 1.8531 2.4297 2.4297 2.4607 2.4607 2.5470 2.5470 2.7411 2.7411 2.9432 2.9432 2.9662 2.9662 3.3974 3.3974 3.5183 3.5183 3.7026 3.7026 4.0394 4.0394 4.1360 4.1360 4.2681 4.2681 4.2857 4.2857 4.4416 4.4416 4.5162 4.5162 4.5323 4.5323 4.8500 4.8500 4.8961 4.8961 5.0117 5.0117 5.0817 5.0817 5.4605 5.4605 5.8807 5.8807 5.9156 5.9156 8.0218 8.0218 8.5143 8.5143 8.7286 8.7286 8.7833 8.7833 9.0327 9.0327 9.9131 9.9131 11.6214 11.6214 k = 0.0000 0.3793-0.0000 ( 5958 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9545 -25.9545 -25.9528 -25.9528 -6.9114 -6.9114 -6.3631 -6.3631 -6.0773 -6.0773 -6.0224 -6.0224 0.9387 0.9387 1.2122 1.2122 1.5848 1.5848 1.8191 1.8191 2.4352 2.4352 2.4652 2.4652 2.5235 2.5235 2.6978 2.6978 2.9399 2.9399 2.9629 2.9629 3.3961 3.3961 3.5200 3.5200 3.7062 3.7062 4.0625 4.0625 4.1324 4.1324 4.2609 4.2609 4.2807 4.2807 4.4347 4.4347 4.5148 4.5148 4.5224 4.5224 4.8514 4.8514 4.8942 4.8942 5.0219 5.0219 5.0867 5.0867 5.4317 5.4317 5.8740 5.8740 5.9071 5.9071 8.0169 8.0169 8.5190 8.5190 8.7494 8.7494 8.7992 8.7992 9.0517 9.0517 9.9936 9.9936 11.6044 11.6044 k = 0.0000 0.3966-0.0000 ( 5962 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9546 -25.9546 -25.9528 -25.9528 -6.8949 -6.8949 -6.3809 -6.3809 -6.0776 -6.0776 -6.0224 -6.0224 0.9509 0.9509 1.2498 1.2498 1.6092 1.6092 1.7887 1.7887 2.4401 2.4401 2.4689 2.4689 2.5024 2.5024 2.6566 2.6566 2.9370 2.9370 2.9599 2.9599 3.3949 3.3949 3.5216 3.5216 3.7094 3.7094 4.0844 4.0844 4.1297 4.1297 4.2537 4.2537 4.2763 4.2763 4.4280 4.4280 4.5100 4.5100 4.5159 4.5159 4.8526 4.8526 4.8924 4.8924 5.0319 5.0319 5.0920 5.0920 5.4047 5.4047 5.8681 5.8681 5.8997 5.8997 8.0126 8.0126 8.5231 8.5231 8.7677 8.7677 8.8134 8.8134 9.0685 9.0685 10.0685 10.0685 11.5898 11.5898 k = 0.0000 0.4138-0.0000 ( 5962 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9547 -25.9547 -25.9528 -25.9528 -6.8796 -6.8796 -6.3973 -6.3973 -6.0779 -6.0779 -6.0224 -6.0224 0.9617 0.9617 1.2875 1.2875 1.6240 1.6240 1.7662 1.7662 2.4443 2.4443 2.4717 2.4717 2.4841 2.4841 2.6187 2.6187 2.9344 2.9344 2.9573 2.9573 3.3939 3.3939 3.5230 3.5230 3.7121 3.7121 4.1035 4.1035 4.1294 4.1294 4.2466 4.2466 4.2727 4.2727 4.4215 4.4215 4.5009 4.5009 4.5144 4.5144 4.8536 4.8536 4.8909 4.8909 5.0411 5.0411 5.0980 5.0980 5.3800 5.3800 5.8631 5.8631 5.8934 5.8934 8.0089 8.0089 8.5265 8.5265 8.7836 8.7836 8.8257 8.8257 9.0830 9.0830 10.1363 10.1363 11.5773 11.5773 k = 0.0000 0.4310-0.0000 ( 5966 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9547 -25.9547 -25.9528 -25.9528 -6.8661 -6.8661 -6.4120 -6.4120 -6.0780 -6.0780 -6.0225 -6.0225 0.9709 0.9709 1.3250 1.3250 1.6228 1.6228 1.7572 1.7572 2.4476 2.4476 2.4678 2.4678 2.4746 2.4746 2.5854 2.5854 2.9322 2.9322 2.9552 2.9552 3.3931 3.3931 3.5242 3.5242 3.7143 3.7143 4.1144 4.1144 4.1367 4.1367 4.2394 4.2394 4.2696 4.2696 4.4154 4.4154 4.4920 4.4920 4.5136 4.5136 4.8544 4.8544 4.8896 4.8896 5.0490 5.0490 5.1046 5.1046 5.3578 5.3578 5.8589 5.8589 5.8882 5.8882 8.0058 8.0058 8.5293 8.5293 8.7968 8.7968 8.8360 8.8360 9.0951 9.0951 10.1953 10.1953 11.5671 11.5671 k = 0.0000 0.4483-0.0000 ( 5942 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9547 -25.9547 -25.9527 -25.9527 -6.8547 -6.8547 -6.4242 -6.4242 -6.0782 -6.0782 -6.0225 -6.0225 0.9782 0.9782 1.3615 1.3615 1.6057 1.6057 1.7613 1.7613 2.4488 2.4488 2.4576 2.4576 2.4747 2.4747 2.5582 2.5582 2.9306 2.9306 2.9535 2.9535 3.3925 3.3925 3.5252 3.5252 3.7160 3.7160 4.1163 4.1163 4.1518 4.1518 4.2320 4.2320 4.2673 4.2673 4.4102 4.4102 4.4846 4.4846 4.5131 4.5131 4.8552 4.8552 4.8887 4.8887 5.0551 5.0551 5.1116 5.1116 5.3390 5.3390 5.8556 5.8556 5.8842 5.8842 8.0033 8.0033 8.5315 8.5315 8.8073 8.8073 8.8442 8.8442 9.1047 9.1047 10.2438 10.2438 11.5590 11.5590 k = 0.0000 0.4655-0.0000 ( 5926 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9547 -25.9547 -25.9527 -25.9527 -6.8460 -6.8460 -6.4334 -6.4334 -6.0783 -6.0783 -6.0225 -6.0225 0.9836 0.9836 1.3957 1.3957 1.5806 1.5806 1.7703 1.7703 2.4443 2.4443 2.4552 2.4552 2.4737 2.4737 2.5387 2.5387 2.9294 2.9294 2.9523 2.9523 3.3920 3.3920 3.5259 3.5259 3.7173 3.7173 4.1161 4.1161 4.1674 4.1674 4.2242 4.2242 4.2657 4.2657 4.4059 4.4059 4.4789 4.4789 4.5128 4.5128 4.8557 4.8557 4.8880 4.8880 5.0593 5.0593 5.1180 5.1180 5.3243 5.3243 5.8532 5.8532 5.8813 5.8813 8.0016 8.0016 8.5331 8.5331 8.8148 8.8148 8.8501 8.8501 9.1116 9.1116 10.2801 10.2801 11.5532 11.5532 k = 0.0000 0.4828-0.0000 ( 5934 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9548 -25.9548 -25.9527 -25.9527 -6.8406 -6.8406 -6.4392 -6.4392 -6.0783 -6.0783 -6.0225 -6.0225 0.9869 0.9869 1.4240 1.4240 1.5562 1.5562 1.7779 1.7779 2.4395 2.4395 2.4558 2.4558 2.4719 2.4719 2.5275 2.5275 2.9286 2.9286 2.9516 2.9516 3.3917 3.3917 3.5263 3.5263 3.7181 3.7181 4.1157 4.1157 4.1802 4.1802 4.2165 4.2165 4.2647 4.2647 4.4030 4.4030 4.4754 4.4754 4.5125 4.5125 4.8560 4.8560 4.8875 4.8875 5.0617 5.0617 5.1226 5.1226 5.3148 5.3148 5.8518 5.8518 5.8795 5.8795 8.0005 8.0005 8.5341 8.5341 8.8193 8.8193 8.8536 8.8536 9.1157 9.1157 10.3026 10.3026 11.5496 11.5496 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9548 -25.9548 -25.9528 -25.9528 -6.8387 -6.8387 -6.4412 -6.4412 -6.0783 -6.0783 -6.0225 -6.0225 0.9880 0.9880 1.4365 1.4365 1.5449 1.5449 1.7807 1.7807 2.4378 2.4378 2.4561 2.4561 2.4709 2.4709 2.5240 2.5240 2.9283 2.9283 2.9513 2.9513 3.3916 3.3916 3.5264 3.5264 3.7183 3.7183 4.1155 4.1155 4.1862 4.1862 4.2123 4.2123 4.2643 4.2643 4.4020 4.4020 4.4742 4.4742 4.5124 4.5124 4.8561 4.8561 4.8874 4.8874 5.0625 5.0625 5.1243 5.1243 5.3114 5.3114 5.8513 5.8513 5.8789 5.8789 8.0001 8.0001 8.5344 8.5344 8.8208 8.8208 8.8548 8.8548 9.1171 9.1171 10.3102 10.3102 11.5484 11.5484 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9548 -25.9548 -25.9528 -25.9528 -6.8387 -6.8387 -6.4412 -6.4412 -6.0783 -6.0783 -6.0225 -6.0225 0.9880 0.9880 1.4365 1.4365 1.5449 1.5449 1.7807 1.7807 2.4378 2.4378 2.4561 2.4561 2.4709 2.4709 2.5240 2.5240 2.9283 2.9283 2.9513 2.9513 3.3916 3.3916 3.5264 3.5264 3.7183 3.7183 4.1155 4.1155 4.1862 4.1862 4.2123 4.2123 4.2643 4.2643 4.4020 4.4020 4.4742 4.4742 4.5124 4.5124 4.8561 4.8561 4.8874 4.8874 5.0625 5.0625 5.1243 5.1243 5.3114 5.3114 5.8513 5.8513 5.8789 5.8789 8.0001 8.0001 8.5344 8.5344 8.8208 8.8208 8.8548 8.8548 9.1171 9.1171 10.3102 10.3102 11.5484 11.5484 k = 0.0172 0.5000-0.0000 ( 5938 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9548 -25.9548 -25.9527 -25.9527 -6.8383 -6.8382 -6.4421 -6.4398 -6.0801 -6.0773 -6.0229 -6.0228 0.9882 0.9894 1.4363 1.4369 1.5444 1.5450 1.7799 1.7819 2.4371 2.4380 2.4554 2.4567 2.4692 2.4725 2.5205 2.5277 2.9279 2.9280 2.9508 2.9511 3.3859 3.3951 3.5240 3.5261 3.7187 3.7195 4.1145 4.1155 4.1852 4.1861 4.2049 4.2186 4.2561 4.2763 4.4009 4.4029 4.4715 4.4770 4.5058 4.5229 4.8503 4.8581 4.8780 4.8959 5.0561 5.0714 5.1221 5.1280 5.3066 5.3175 5.8470 5.8536 5.8770 5.8789 7.9975 8.0056 8.5317 8.5400 8.8112 8.8292 8.8504 8.8574 9.1067 9.1294 10.3113 10.3119 11.5481 11.5509 k = 0.0345 0.5000-0.0000 ( 5936 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9548 -25.9548 -25.9528 -25.9528 -6.8367 -6.8366 -6.4425 -6.4379 -6.0826 -6.0770 -6.0241 -6.0239 0.9899 0.9923 1.4364 1.4377 1.5437 1.5448 1.7794 1.7835 2.4360 2.4382 2.4546 2.4569 2.4675 2.4738 2.5173 2.5313 2.9267 2.9267 2.9495 2.9504 3.3779 3.3963 3.5189 3.5230 3.7206 3.7220 4.1126 4.1146 4.1827 4.1850 4.1991 4.2209 4.2542 4.2902 4.4002 4.4032 4.4699 4.4773 4.5059 4.5360 4.8387 4.8579 4.8712 4.9007 5.0532 5.0805 5.1217 5.1337 5.3029 5.3247 5.8409 5.8540 5.8731 5.8772 7.9978 8.0139 8.5320 8.5488 8.8013 8.8336 8.8466 8.8578 9.0985 9.1433 10.3152 10.3163 11.5501 11.5557 k = 0.0517 0.5000-0.0000 ( 5948 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9548 -25.9548 -25.9528 -25.9528 -6.8342 -6.8340 -6.4424 -6.4355 -6.0858 -6.0775 -6.0259 -6.0258 0.9932 0.9967 1.4367 1.4386 1.5427 1.5444 1.7793 1.7855 2.4340 2.4382 2.4535 2.4567 2.4660 2.4749 2.5142 2.5350 2.9243 2.9247 2.9475 2.9493 3.3677 3.3954 3.5115 3.5171 3.7238 3.7259 4.1097 4.1128 4.1785 4.1829 4.1960 4.2191 4.2582 4.3046 4.4007 4.4034 4.4693 4.4741 4.5133 4.5510 4.8226 4.8554 4.8672 4.9010 5.0531 5.0873 5.1244 5.1423 5.3002 5.3331 5.8331 5.8523 5.8674 5.8737 8.0009 8.0250 8.5347 8.5604 8.7919 8.8289 8.8486 8.8559 9.0928 9.1585 10.3218 10.3236 11.5539 11.5625 k = 0.0690 0.5000-0.0000 ( 5952 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9548 -25.9548 -25.9528 -25.9528 -6.8306 -6.8304 -6.4418 -6.4327 -6.0896 -6.0787 -6.0284 -6.0284 0.9978 1.0025 1.4373 1.4398 1.5414 1.5437 1.7797 1.7879 2.4311 2.4383 2.4520 2.4560 2.4653 2.4760 2.5116 2.5387 2.9205 2.9218 2.9449 2.9480 3.3554 3.3924 3.5019 3.5085 3.7282 3.7310 4.1061 4.1103 4.1736 4.1800 4.1952 4.2165 4.2641 4.3182 4.4027 4.4043 4.4696 4.4699 4.5254 4.5678 4.8041 4.8504 4.8645 4.8982 5.0532 5.0905 5.1316 5.1542 5.2987 5.3429 5.8239 5.8487 5.8598 5.8687 8.0069 8.0387 8.5394 8.5747 8.7835 8.8195 8.8519 8.8520 9.0897 9.1747 10.3313 10.3336 11.5595 11.5710 k = 0.0862 0.5000-0.0000 ( 5956 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9548 -25.9548 -25.9529 -25.9529 -6.8260 -6.8258 -6.4408 -6.4294 -6.0941 -6.0809 -6.0317 -6.0315 1.0039 1.0097 1.4381 1.4412 1.5399 1.5427 1.7806 1.7908 2.4272 2.4383 2.4500 2.4547 2.4653 2.4772 2.5094 2.5423 2.9153 2.9179 2.9419 2.9468 3.3412 3.3874 3.4904 3.4974 3.7336 3.7369 4.1021 4.1073 4.1693 4.1769 4.1955 4.2146 4.2696 4.3299 4.4063 4.4069 4.4654 4.4715 4.5401 4.5861 4.7848 4.8424 4.8625 4.8945 5.0513 5.0904 5.1438 5.1682 5.2987 5.3541 5.8134 5.8434 5.8506 5.8623 8.0156 8.0549 8.5452 8.5910 8.7771 8.8088 8.8465 8.8537 9.0892 9.1914 10.3435 10.3463 11.5663 11.5809 k = 0.1034 0.5000-0.0000 ( 5956 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9549 -25.9549 -25.9529 -25.9529 -6.8205 -6.8202 -6.4392 -6.4257 -6.0993 -6.0839 -6.0357 -6.0352 1.0112 1.0182 1.4390 1.4429 1.5381 1.5416 1.7821 1.7942 2.4223 2.4384 2.4476 2.4529 2.4663 2.4786 2.5077 2.5459 2.9086 2.9126 2.9389 2.9456 3.3251 3.3807 3.4773 3.4841 3.7398 3.7437 4.0982 4.1040 4.1658 4.1742 4.1965 4.2135 4.2740 4.3381 4.4106 4.4117 4.4626 4.4748 4.5564 4.6055 4.7654 4.8314 4.8608 4.8911 5.0468 5.0877 5.1592 5.1830 5.3007 5.3665 5.8021 5.8367 5.8399 5.8545 8.0269 8.0736 8.5512 8.6086 8.7730 8.7982 8.8400 8.8535 9.0912 9.2084 10.3585 10.3617 11.5738 11.5915 k = 0.1207 0.5000-0.0000 ( 5956 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9549 -25.9549 -25.9530 -25.9530 -6.8140 -6.8137 -6.4372 -6.4215 -6.1052 -6.0878 -6.0405 -6.0394 1.0197 1.0278 1.4401 1.4446 1.5361 1.5402 1.7843 1.7982 2.4168 2.4385 2.4447 2.4505 2.4679 2.4802 2.5066 2.5494 2.9005 2.9058 2.9360 2.9444 3.3075 3.3722 3.4628 3.4686 3.7467 3.7510 4.0946 4.1007 4.1633 4.1723 4.1980 4.2129 4.2773 4.3427 4.4146 4.4175 4.4630 4.4801 4.5736 4.6259 4.7464 4.8183 4.8594 4.8884 5.0401 5.0829 5.1752 5.1973 5.3056 5.3801 5.7904 5.8281 5.8292 5.8455 8.0408 8.0943 8.5564 8.6260 8.7715 8.7890 8.8336 8.8519 9.0956 9.2254 10.3761 10.3797 11.5813 11.6021 k = 0.1379 0.5000-0.0000 ( 5956 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9549 -25.9549 -25.9530 -25.9530 -6.8066 -6.8062 -6.4348 -6.4169 -6.1117 -6.0926 -6.0458 -6.0440 1.0292 1.0385 1.4413 1.4465 1.5339 1.5386 1.7873 1.8028 2.4109 2.4386 2.4416 2.4478 2.4701 2.4820 2.5061 2.5530 2.8910 2.8974 2.9334 2.9433 3.2885 3.3623 3.4471 3.4512 3.7539 3.7587 4.0917 4.0977 4.1619 4.1713 4.1999 4.2126 4.2798 4.3443 4.4173 4.4211 4.4688 4.4875 4.5910 4.6466 4.7283 4.8041 4.8582 4.8864 5.0319 5.0766 5.1887 5.2103 5.3149 5.3945 5.7788 5.8155 5.8211 5.8353 8.0571 8.1170 8.5599 8.6415 8.7718 8.7823 8.8293 8.8495 9.1019 9.2421 10.3964 10.4003 11.5881 11.6117 k = 0.1552 0.5000-0.0000 ( 5958 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9549 -25.9549 -25.9531 -25.9531 -6.7982 -6.7978 -6.4318 -6.4120 -6.1188 -6.0984 -6.0518 -6.0489 1.0396 1.0500 1.4426 1.4485 1.5315 1.5369 1.7912 1.8083 2.4047 2.4383 2.4386 2.4448 2.4727 2.4841 2.5062 2.5565 2.8802 2.8874 2.9310 2.9421 3.2684 3.3510 3.4302 3.4321 3.7615 3.7665 4.0895 4.0953 4.1613 4.1711 4.2019 4.2126 4.2817 4.3442 4.4183 4.4208 4.4806 4.4966 4.6080 4.6668 4.7121 4.7897 4.8575 4.8848 5.0227 5.0688 5.1977 5.2213 5.3293 5.4093 5.7675 5.8029 5.8127 5.8246 8.0757 8.1414 8.5613 8.6527 8.7713 8.7793 8.8302 8.8482 9.1097 9.2583 10.4192 10.4234 11.5934 11.6194 k = 0.1724 0.5000-0.0000 ( 5962 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9550 -25.9550 -25.9532 -25.9532 -6.7891 -6.7886 -6.4285 -6.4066 -6.1266 -6.1052 -6.0583 -6.0542 1.0507 1.0622 1.4439 1.4506 1.5289 1.5350 1.7961 1.8146 2.3986 2.4350 2.4386 2.4418 2.4756 2.4863 2.5068 2.5600 2.8682 2.8759 2.9289 2.9409 3.2474 3.3385 3.4116 3.4124 3.7691 3.7744 4.0881 4.0936 4.1617 4.1719 4.2041 4.2126 4.2834 4.3430 4.4178 4.4179 4.4961 4.5064 4.6237 4.6810 4.7036 4.7763 4.8571 4.8835 5.0129 5.0599 5.2012 5.2298 5.3484 5.4236 5.7563 5.7916 5.8027 5.8152 8.0963 8.1672 8.5603 8.6578 8.7676 8.7794 8.8390 8.8506 9.1187 9.2737 10.4446 10.4490 11.5963 11.6241 k = 0.1897 0.5000-0.0000 ( 5958 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9550 -25.9550 -25.9532 -25.9532 -6.7791 -6.7786 -6.4247 -6.4010 -6.1349 -6.1129 -6.0653 -6.0598 1.0624 1.0749 1.4453 1.4527 1.5262 1.5329 1.8024 1.8221 2.3926 2.4319 2.4384 2.4389 2.4787 2.4887 2.5080 2.5636 2.8550 2.8629 2.9270 2.9397 3.2258 3.3248 3.3898 3.3937 3.7767 3.7821 4.0876 4.0930 4.1630 4.1734 4.2063 4.2128 4.2850 4.3413 4.4135 4.4162 4.5135 4.5156 4.6367 4.6758 4.7164 4.7654 4.8574 4.8824 5.0027 5.0500 5.2000 5.2355 5.3706 5.4369 5.7441 5.7839 5.7897 5.8094 8.1187 8.1939 8.5575 8.6572 8.7607 8.7793 8.8554 8.8600 9.1285 9.2882 10.4724 10.4769 11.5962 11.6249 k = 0.2069 0.5000-0.0000 ( 5962 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9551 -25.9551 -25.9533 -25.9533 -6.7683 -6.7678 -6.4206 -6.3950 -6.1439 -6.1215 -6.0728 -6.0656 1.0744 1.0878 1.4466 1.4547 1.5232 1.5305 1.8100 1.8307 2.3871 2.4290 2.4361 2.4382 2.4820 2.4912 2.5096 2.5672 2.8407 2.8486 2.9252 2.9384 3.2039 3.3102 3.3670 3.3742 3.7842 3.7897 4.0880 4.0933 4.1652 4.1756 4.2085 4.2130 4.2867 4.3394 4.4086 4.4137 4.5228 4.5317 4.6451 4.6667 4.7355 4.7588 4.8584 4.8815 4.9924 5.0394 5.1948 5.2379 5.3941 5.4484 5.7298 5.7743 5.7819 5.8072 8.1426 8.2212 8.5534 8.6529 8.7521 8.7765 8.8773 8.8774 9.1390 9.3016 10.5025 10.5071 11.5922 11.6208 k = 0.2241 0.5000-0.0000 ( 5966 PWs) bands (ev): -61.6926 -61.6926 -34.6064 -34.6064 -25.9551 -25.9551 -25.9534 -25.9534 -6.7568 -6.7563 -6.4161 -6.3888 -6.1535 -6.1309 -6.0806 -6.0716 1.0866 1.1009 1.4479 1.4566 1.5201 1.5280 1.8192 1.8407 2.3820 2.4265 2.4337 2.4379 2.4855 2.4938 2.5117 2.5707 2.8253 2.8330 2.9236 2.9371 3.1819 3.2947 3.3434 3.3540 3.7914 3.7969 4.0893 4.0948 4.1682 4.1783 4.2106 4.2133 4.2886 4.3375 4.4036 4.4106 4.5265 4.5500 4.6472 4.6609 4.7545 4.7584 4.8604 4.8809 4.9821 5.0282 5.1866 5.2368 5.4172 5.4577 5.7134 5.7575 5.7862 5.8086 8.1679 8.2486 8.5486 8.6469 8.7430 8.7711 8.9006 8.9031 9.1498 9.3137 10.5348 10.5396 11.5839 11.6114 k = 0.2414 0.5000-0.0000 ( 5984 PWs) bands (ev): -61.6926 -61.6926 -34.6064 -34.6064 -25.9552 -25.9552 -25.9535 -25.9535 -6.7447 -6.7441 -6.4113 -6.3823 -6.1635 -6.1411 -6.0887 -6.0779 1.0989 1.1139 1.4491 1.4584 1.5168 1.5251 1.8302 1.8522 2.3775 2.4245 2.4317 2.4375 2.4889 2.4965 2.5141 2.5742 2.8088 2.8160 2.9222 2.9358 3.1601 3.2783 3.3193 3.3333 3.7983 3.8037 4.0913 4.0972 4.1718 4.1815 4.2124 4.2136 4.2907 4.3356 4.3986 4.4072 4.5258 4.5679 4.6429 4.6599 4.7639 4.7719 4.8638 4.8806 4.9720 5.0165 5.1757 5.2321 5.4386 5.4648 5.6957 5.7396 5.7962 5.8138 8.1941 8.2756 8.5435 8.6406 8.7341 8.7641 8.9274 8.9313 9.1609 9.3245 10.5693 10.5741 11.5709 11.5964 k = 0.2586 0.5000-0.0000 ( 5984 PWs) bands (ev): -61.6926 -61.6926 -34.6064 -34.6064 -25.9552 -25.9552 -25.9535 -25.9535 -6.7321 -6.7314 -6.4062 -6.3758 -6.1740 -6.1519 -6.0971 -6.0844 1.1111 1.1266 1.4501 1.4601 1.5133 1.5219 1.8431 1.8653 2.3738 2.4231 2.4301 2.4370 2.4925 2.4992 2.5168 2.5776 2.7913 2.7979 2.9209 2.9344 3.1387 3.2610 3.2952 3.3121 3.8049 3.8101 4.0942 4.1008 4.1761 4.1849 4.2141 4.2141 4.2931 4.3340 4.3939 4.4035 4.5207 4.5843 4.6351 4.6638 4.7734 4.7872 4.8688 4.8811 4.9622 5.0046 5.1628 5.2239 5.4576 5.4704 5.6771 5.7209 5.8111 5.8228 8.2209 8.3016 8.5388 8.6353 8.7260 8.7565 8.9559 8.9611 9.1721 9.3337 10.6058 10.6107 11.5531 11.5760 k = 0.2759 0.5000-0.0000 ( 5980 PWs) bands (ev): -61.6926 -61.6926 -34.6064 -34.6064 -25.9553 -25.9553 -25.9536 -25.9536 -6.7189 -6.7182 -6.4009 -6.3691 -6.1849 -6.1632 -6.1055 -6.0912 1.1229 1.1389 1.4510 1.4616 1.5095 1.5184 1.8581 1.8802 2.3709 2.4224 2.4290 2.4365 2.4960 2.5020 2.5196 2.5809 2.7728 2.7787 2.9197 2.9331 3.1180 3.2427 3.2714 3.2907 3.8111 3.8159 4.0978 4.1054 4.1808 4.1885 4.2147 4.2154 4.2960 4.3327 4.3895 4.3998 4.5122 4.5953 4.6297 4.6716 4.7845 4.7997 4.8756 4.8826 4.9530 4.9928 5.1482 5.2123 5.4737 5.4748 5.6583 5.7018 5.8295 5.8354 8.2480 8.3261 8.5348 8.6317 8.7188 8.7489 8.9851 8.9916 9.1834 9.3413 10.6442 10.6492 11.5307 11.5506 k = 0.2931 0.5000-0.0000 ( 5980 PWs) bands (ev): -61.6926 -61.6926 -34.6064 -34.6064 -25.9553 -25.9553 -25.9536 -25.9536 -6.7053 -6.7046 -6.3954 -6.3625 -6.1961 -6.1750 -6.1141 -6.0981 1.1344 1.1506 1.4517 1.4629 1.5056 1.5144 1.8750 1.8969 2.3689 2.4223 2.4283 2.4360 2.4994 2.5047 2.5228 2.5838 2.7534 2.7584 2.9188 2.9317 3.0983 3.2230 3.2488 3.2692 3.8168 3.8213 4.1021 4.1108 4.1859 4.1921 4.2153 4.2164 4.2993 4.3317 4.3856 4.3961 4.5016 4.5925 4.6363 4.6821 4.7952 4.8096 4.8837 4.8855 4.9443 4.9813 5.1321 5.1978 5.4786 5.4868 5.6395 5.6824 5.8504 5.8512 8.2749 8.3482 8.5320 8.6302 8.7127 8.7415 9.0140 9.0223 9.1947 9.3472 10.6844 10.6894 11.5042 11.5210 k = 0.3103 0.5000-0.0000 ( 5974 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9554 -25.9554 -25.9536 -25.9536 -6.6914 -6.6907 -6.3899 -6.3560 -6.2075 -6.1870 -6.1227 -6.1052 1.1455 1.1616 1.4522 1.4639 1.5015 1.5102 1.8940 1.9153 2.3678 2.4230 2.4280 2.4356 2.5027 2.5074 2.5261 2.5864 2.7331 2.7372 2.9180 2.9304 3.0797 3.2017 3.2280 3.2478 3.8222 3.8262 4.1070 4.1169 4.1910 4.1955 4.2160 4.2170 4.3033 4.3311 4.3822 4.3924 4.4897 4.5804 4.6512 4.6942 4.8043 4.8172 4.8902 4.8923 4.9363 4.9704 5.1149 5.1809 5.4821 5.4970 5.6211 5.6631 5.8696 5.8727 8.3010 8.3677 8.5307 8.6314 8.7077 8.7344 9.0421 9.0527 9.2061 9.3512 10.7262 10.7313 11.4744 11.4881 k = 0.3276 0.5000-0.0000 ( 5988 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9555 -25.9555 -25.9537 -25.9537 -6.6774 -6.6767 -6.3843 -6.3499 -6.2187 -6.1991 -6.1312 -6.1124 1.1559 1.1719 1.4525 1.4646 1.4973 1.5055 1.9148 1.9353 2.3676 2.4242 2.4277 2.4355 2.5059 2.5099 2.5295 2.5885 2.7121 2.7151 2.9174 2.9292 3.0626 3.1792 3.2089 3.2268 3.8269 3.8305 4.1124 4.1234 4.1960 4.1985 4.2167 4.2171 4.3078 4.3311 4.3792 4.3889 4.4773 4.5654 4.6684 4.7075 4.8112 4.8231 4.8966 4.8997 4.9292 4.9609 5.0968 5.1621 5.4856 5.5048 5.6034 5.6440 5.8895 5.8954 8.3256 8.3840 8.5314 8.6350 8.7039 8.7277 9.0691 9.0823 9.2172 9.3534 10.7695 10.7748 11.4422 11.4530 k = 0.3448 0.5000-0.0000 ( 5984 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9555 -25.9555 -25.9537 -25.9537 -6.6633 -6.6626 -6.3788 -6.3443 -6.2296 -6.2110 -6.1395 -6.1198 1.1657 1.1813 1.4526 1.4651 1.4932 1.5007 1.9373 1.9567 2.3682 2.4261 2.4271 2.4360 2.5088 2.5123 2.5331 2.5901 2.6905 2.6925 2.9170 2.9280 3.0472 3.1563 3.1914 3.2065 3.8313 3.8344 4.1184 4.1304 4.2007 4.2010 4.2168 4.2174 4.3132 4.3317 4.3768 4.3856 4.4651 4.5497 4.6862 4.7213 4.8160 4.8281 4.9036 4.9043 4.9237 4.9538 5.0785 5.1423 5.4891 5.5106 5.5867 5.6255 5.9101 5.9177 8.3482 8.3972 8.5346 8.6409 8.7012 8.7215 9.0948 9.1107 9.2282 9.3536 10.8142 10.8196 11.4087 11.4169 k = 0.3621 0.5000-0.0000 ( 5984 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9556 -25.9556 -25.9538 -25.9538 -6.6493 -6.6486 -6.3736 -6.3396 -6.2398 -6.2225 -6.1474 -6.1272 1.1749 1.1898 1.4524 1.4652 1.4893 1.4958 1.9611 1.9792 2.3697 2.4260 2.4284 2.4370 2.5114 2.5144 2.5367 2.5909 2.6685 2.6695 2.9169 2.9269 3.0337 3.1337 3.1751 3.1871 3.8351 3.8378 4.1249 4.1377 4.2029 4.2048 4.2160 4.2180 4.3193 4.3332 4.3749 4.3826 4.4531 4.5336 4.7042 4.7355 4.8192 4.8327 4.9046 4.9072 4.9231 4.9497 5.0600 5.1222 5.4926 5.5147 5.5712 5.6077 5.9306 5.9390 8.3682 8.4075 8.5404 8.6484 8.6996 8.7158 9.1190 9.1376 9.2387 9.3519 10.8600 10.8657 11.3749 11.3810 k = 0.3793 0.5000-0.0000 ( 5978 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9556 -25.9556 -25.9538 -25.9538 -6.6358 -6.6351 -6.3688 -6.3362 -6.2488 -6.2333 -6.1549 -6.1347 1.1834 1.1973 1.4520 1.4649 1.4857 1.4910 1.9857 2.0024 2.3718 2.4244 2.4310 2.4385 2.5137 2.5163 2.5404 2.5908 2.6467 2.6467 2.9170 2.9259 3.0222 3.1119 3.1601 3.1691 3.8386 3.8408 4.1318 4.1450 4.2039 4.2080 4.2151 4.2185 4.3262 4.3354 4.3733 4.3800 4.4418 4.5175 4.7224 4.7498 4.8214 4.8371 4.9009 4.9045 4.9291 4.9479 5.0422 5.1025 5.4961 5.5175 5.5573 5.5910 5.9503 5.9588 8.3850 8.4153 8.5491 8.6564 8.6989 8.7105 9.1419 9.1627 9.2485 9.3482 10.9068 10.9128 11.3421 11.3464 k = 0.3966 0.5000-0.0000 ( 5976 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9557 -25.9557 -25.9538 -25.9538 -6.6228 -6.6222 -6.3646 -6.3346 -6.2561 -6.2430 -6.1617 -6.1420 1.1911 1.2037 1.4515 1.4641 1.4825 1.4865 2.0106 2.0256 2.3745 2.4222 2.4338 2.4403 2.5156 2.5177 2.5439 2.5897 2.6248 2.6254 2.9172 2.9249 3.0129 3.0914 3.1463 3.1526 3.8415 3.8433 4.1389 4.1522 4.2041 4.2093 4.2149 4.2188 4.3338 4.3385 4.3721 4.3777 4.4313 4.5016 4.7405 4.7639 4.8234 4.8416 4.8949 4.8998 4.9364 4.9459 5.0258 5.0841 5.4995 5.5193 5.5452 5.5755 5.9686 5.9766 8.3984 8.4210 8.5604 8.6639 8.6990 8.7058 9.1635 9.1856 9.2572 9.3426 10.9545 10.9609 11.3113 11.3142 k = 0.4138 0.5000-0.0000 ( 5968 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9557 -25.9557 -25.9538 -25.9538 -6.6107 -6.6102 -6.3613 -6.3351 -6.2613 -6.2512 -6.1677 -6.1492 1.1980 1.2091 1.4508 1.4626 1.4799 1.4827 2.0350 2.0481 2.3777 2.4194 2.4367 2.4422 2.5168 2.5186 2.5473 2.5865 2.6054 2.6057 2.9177 2.9241 3.0059 3.0725 3.1340 3.1380 3.8440 3.8454 4.1463 4.1592 4.2034 4.2080 4.2162 4.2191 4.3418 4.3422 4.3712 4.3759 4.4219 4.4859 4.7582 4.7773 4.8258 4.8466 4.8884 4.8948 4.9412 4.9416 5.0124 5.0678 5.5029 5.5202 5.5352 5.5615 5.9849 5.9921 8.4088 8.4252 8.5738 8.6694 8.6997 8.7022 9.1840 9.2062 9.2646 9.3352 11.0029 11.0096 11.2834 11.2852 k = 0.4310 0.5000-0.0000 ( 5972 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9558 -25.9558 -25.9538 -25.9538 -6.5999 -6.5994 -6.3587 -6.3376 -6.2644 -6.2577 -6.1725 -6.1560 1.2041 1.2134 1.4501 1.4606 1.4779 1.4797 2.0579 2.0690 2.3813 2.4159 2.4394 2.4439 2.5173 2.5188 2.5498 2.5776 2.5890 2.5931 2.9183 2.9234 3.0015 3.0555 3.1234 3.1257 3.8461 3.8471 4.1538 4.1659 4.2014 4.2053 4.2178 4.2194 4.3464 4.3499 4.3705 4.3745 4.4140 4.4706 4.7749 4.7896 4.8294 4.8524 4.8825 4.8900 4.9339 4.9405 5.0044 5.0540 5.5060 5.5205 5.5272 5.5491 5.9989 6.0049 8.4165 8.4281 8.5883 8.6712 8.7005 8.7008 9.2036 9.2243 9.2702 9.3260 11.0515 11.0587 11.2593 11.2604 k = 0.4483 0.5000-0.0000 ( 5964 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9558 -25.9558 -25.9538 -25.9538 -6.5908 -6.5904 -6.3570 -6.3413 -6.2659 -6.2622 -6.1758 -6.1623 1.2092 1.2165 1.4497 1.4582 1.4765 1.4776 2.0783 2.0871 2.3850 2.4119 2.4419 2.4453 2.5167 2.5179 2.5505 2.5646 2.5775 2.5878 2.9190 2.9227 2.9995 3.0405 3.1147 3.1159 3.8477 3.8485 4.1613 4.1723 4.1983 4.2020 4.2190 4.2197 4.3510 4.3572 4.3701 4.3738 4.4082 4.4558 4.7895 4.7998 4.8355 4.8595 4.8778 4.8855 4.9227 4.9333 5.0032 5.0428 5.5091 5.5201 5.5216 5.5385 6.0103 6.0149 8.4222 8.4300 8.6032 8.6686 8.7010 8.7020 9.2223 9.2397 9.2737 9.3151 11.1000 11.1076 11.2398 11.2403 k = 0.4655 0.5000-0.0000 ( 5968 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9558 -25.9558 -25.9538 -25.9538 -6.5839 -6.5836 -6.3557 -6.3455 -6.2665 -6.2650 -6.1776 -6.1679 1.2133 1.2183 1.4497 1.4556 1.4756 1.4763 2.0949 2.1009 2.3890 2.4074 2.4439 2.4463 2.5151 2.5160 2.5485 2.5542 2.5732 2.5839 2.9197 2.9221 3.0001 3.0276 3.1082 3.1087 3.8488 3.8493 4.1686 4.1781 4.1942 4.1983 4.2198 4.2200 4.3557 4.3622 4.3699 4.3735 4.4062 4.4418 4.8004 4.8069 4.8452 4.8685 4.8750 4.8814 4.9085 4.9213 5.0066 5.0337 5.5119 5.5183 5.5194 5.5298 6.0188 6.0219 8.4262 8.4310 8.6177 8.6625 8.7025 8.7032 9.2402 9.2524 9.2749 9.3026 11.1472 11.1548 11.2255 11.2256 k = 0.4828 0.5000-0.0000 ( 5968 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9558 -25.9558 -25.9539 -25.9538 -6.5794 -6.5793 -6.3543 -6.3493 -6.2668 -6.2664 -6.1775 -6.1725 1.2164 1.2189 1.4503 1.4533 1.4751 1.4755 2.1062 2.1093 2.3932 2.4025 2.4454 2.4466 2.5132 2.5137 2.5462 2.5481 2.5740 2.5803 2.9203 2.9215 3.0033 3.0171 3.1042 3.1044 3.8496 3.8498 4.1756 4.1829 4.1897 4.1941 4.2202 4.2203 4.3600 4.3640 4.3702 4.3726 4.4095 4.4289 4.8072 4.8104 4.8588 4.8742 4.8780 4.8790 4.8932 4.9075 5.0123 5.0259 5.5149 5.5170 5.5183 5.5232 6.0243 6.0259 8.4289 8.4311 8.6313 8.6539 8.7037 8.7040 9.2572 9.2621 9.2736 9.2888 11.1897 11.1956 11.2165 11.2169 k = 0.5000 0.5000-0.0000 ( 6024 PWs) bands (ev): -61.6927 -61.6927 -34.6066 -34.6066 -25.9559 -25.9559 -25.9539 -25.9539 -6.5779 -6.5779 -6.3523 -6.3523 -6.2668 -6.2668 -6.1758 -6.1758 1.2182 1.2182 1.4514 1.4514 1.4751 1.4751 2.1111 2.1111 2.3977 2.3977 2.4463 2.4463 2.5124 2.5124 2.5457 2.5457 2.5767 2.5767 2.9208 2.9208 3.0089 3.0089 3.1028 3.1028 3.8498 3.8498 4.1816 4.1816 4.1898 4.1898 4.2202 4.2202 4.3630 4.3630 4.3710 4.3710 4.4176 4.4176 4.8102 4.8102 4.8740 4.8740 4.8755 4.8755 4.8939 4.8939 5.0187 5.0187 5.5172 5.5172 5.5183 5.5183 6.0266 6.0266 8.4304 8.4304 8.6434 8.6434 8.7042 8.7042 9.2683 9.2683 9.2744 9.2744 11.2119 11.2119 11.2150 11.2150 k = 0.5000 0.5000-0.0000 ( 6024 PWs) bands (ev): -61.6927 -61.6927 -34.6066 -34.6066 -25.9559 -25.9559 -25.9539 -25.9539 -6.5779 -6.5779 -6.3523 -6.3523 -6.2668 -6.2668 -6.1758 -6.1758 1.2182 1.2182 1.4514 1.4514 1.4751 1.4751 2.1111 2.1111 2.3977 2.3977 2.4463 2.4463 2.5124 2.5124 2.5457 2.5457 2.5767 2.5767 2.9208 2.9208 3.0089 3.0089 3.1028 3.1028 3.8498 3.8498 4.1816 4.1816 4.1898 4.1898 4.2202 4.2202 4.3630 4.3630 4.3710 4.3710 4.4176 4.4176 4.8102 4.8102 4.8740 4.8740 4.8755 4.8755 4.8939 4.8939 5.0187 5.0187 5.5172 5.5172 5.5183 5.5183 6.0266 6.0266 8.4304 8.4304 8.6434 8.6434 8.7042 8.7042 9.2683 9.2683 9.2744 9.2744 11.2119 11.2119 11.2150 11.2150 k = 0.4878 0.4878-0.0000 ( 5968 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9558 -25.9558 -25.9539 -25.9538 -6.5794 -6.5793 -6.3542 -6.3493 -6.2667 -6.2664 -6.1776 -6.1724 1.2164 1.2189 1.4502 1.4532 1.4752 1.4755 2.1061 2.1093 2.3932 2.4026 2.4454 2.4466 2.5133 2.5137 2.5462 2.5480 2.5738 2.5805 2.9203 2.9215 3.0033 3.0170 3.1042 3.1044 3.8496 3.8498 4.1752 4.1852 4.1871 4.1948 4.2203 4.2203 4.3600 4.3639 4.3703 4.3727 4.4093 4.4290 4.8074 4.8101 4.8597 4.8721 4.8789 4.8793 4.8932 4.9076 5.0123 5.0259 5.5148 5.5168 5.5188 5.5230 6.0243 6.0259 8.4289 8.4311 8.6312 8.6540 8.7037 8.7040 9.2549 9.2672 9.2708 9.2889 11.1883 11.1937 11.2186 11.2186 k = 0.4756 0.4756-0.0000 ( 5968 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9558 -25.9558 -25.9538 -25.9538 -6.5839 -6.5837 -6.3551 -6.3456 -6.2661 -6.2657 -6.1777 -6.1677 1.2133 1.2184 1.4485 1.4545 1.4768 1.4774 2.0946 2.1008 2.3889 2.4076 2.4438 2.4463 2.5161 2.5162 2.5487 2.5533 2.5711 2.5859 2.9197 2.9221 3.0006 3.0269 3.1080 3.1091 3.8488 3.8493 4.1672 4.1850 4.1862 4.2007 4.2199 4.2199 4.3556 4.3622 4.3706 4.3736 4.4046 4.4427 4.8018 4.8045 4.8491 4.8683 4.8697 4.8837 4.9088 4.9214 5.0066 5.0338 5.5122 5.5171 5.5214 5.5287 6.0188 6.0220 8.4264 8.4309 8.6175 8.6628 8.7025 8.7030 9.2352 9.2636 9.2696 9.3018 11.1419 11.1484 11.2326 11.2335 k = 0.4634 0.4634-0.0000 ( 5972 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9558 -25.9558 -25.9538 -25.9538 -6.5911 -6.5910 -6.3550 -6.3412 -6.2650 -6.2645 -6.1763 -6.1618 1.2091 1.2166 1.4448 1.4529 1.4820 1.4821 2.0773 2.0865 2.3851 2.4127 2.4417 2.4453 2.5189 2.5207 2.5520 2.5608 2.5696 2.5947 2.9191 2.9226 3.0008 3.0377 3.1141 3.1173 3.8477 3.8485 4.1589 4.1829 4.1862 4.2059 4.2191 4.2192 4.3506 4.3592 4.3711 4.3728 4.4044 4.4581 4.7926 4.7939 4.8444 4.8592 4.8682 4.8886 4.9232 4.9335 5.0030 5.0430 5.5102 5.5179 5.5252 5.5356 6.0106 6.0152 8.4230 8.4297 8.6023 8.6698 8.7006 8.7013 9.2134 9.2583 9.2669 9.3122 11.0886 11.0945 11.2560 11.2577 k = 0.4512 0.4512-0.0000 ( 5972 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9558 -25.9558 -25.9538 -25.9538 -6.6008 -6.6008 -6.3538 -6.3362 -6.2633 -6.2628 -6.1733 -6.1550 1.2039 1.2138 1.4383 1.4477 1.4903 1.4916 2.0552 2.0672 2.3817 2.4178 2.4390 2.4437 2.5217 2.5259 2.5547 2.5639 2.5762 2.6082 2.9185 2.9233 3.0040 3.0489 3.1222 3.1291 3.8461 3.8472 4.1504 4.1807 4.1854 4.2099 4.2178 4.2182 4.3457 4.3555 4.3704 4.3716 4.4085 4.4750 4.7768 4.7837 4.8437 4.8518 4.8682 4.8940 4.9346 4.9411 5.0041 5.0544 5.5088 5.5194 5.5301 5.5434 5.9999 6.0058 8.4187 8.4277 8.5859 8.6751 8.6980 8.6991 9.1900 9.2514 9.2625 9.3199 11.0316 11.0365 11.2880 11.2907 k = 0.4390 0.4390-0.0000 ( 5972 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9557 -25.9557 -25.9538 -25.9538 -6.6130 -6.6128 -6.3516 -6.3308 -6.2609 -6.2607 -6.1691 -6.1475 1.1976 1.2099 1.4291 1.4395 1.5019 1.5046 2.0294 2.0440 2.3791 2.4229 2.4358 2.4415 2.5240 2.5308 2.5568 2.5634 2.5906 2.6262 2.9180 2.9241 3.0099 3.0600 3.1320 3.1444 3.8441 3.8456 4.1421 4.1785 4.1842 4.2125 4.2156 4.2166 4.3415 4.3511 4.3671 4.3720 4.4159 4.4929 4.7594 4.7720 4.8446 4.8458 4.8697 4.9001 4.9418 4.9423 5.0120 5.0685 5.5079 5.5215 5.5358 5.5517 5.9873 5.9943 8.4137 8.4249 8.5683 8.6784 8.6950 8.6965 9.1652 9.2430 9.2563 9.3249 10.9718 10.9755 11.3277 11.3315 k = 0.4268 0.4268-0.0000 ( 5964 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9557 -25.9557 -25.9538 -25.9538 -6.6273 -6.6267 -6.3485 -6.3251 -6.2579 -6.2578 -6.1639 -6.1395 1.1904 1.2049 1.4174 1.4287 1.5163 1.5204 2.0008 2.0177 2.3775 2.4278 2.4323 2.4390 2.5253 2.5344 2.5594 2.5646 2.6079 2.6476 2.9175 2.9252 3.0180 3.0709 3.1435 3.1626 3.8417 3.8436 4.1340 4.1764 4.1827 4.2118 4.2142 4.2144 4.3383 4.3461 4.3635 4.3726 4.4261 4.5118 4.7416 4.7591 4.8407 4.8460 4.8726 4.9067 4.9369 4.9461 5.0256 5.0853 5.5075 5.5244 5.5420 5.5600 5.9734 5.9812 8.4081 8.4213 8.5498 8.6795 8.6917 8.6938 9.1392 9.2329 9.2483 9.3272 10.9095 10.9122 11.3739 11.3792 k = 0.4146 0.4146-0.0000 ( 5980 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9556 -25.9556 -25.9538 -25.9538 -6.6434 -6.6424 -6.3446 -6.3190 -6.2545 -6.2541 -6.1578 -6.1313 1.1823 1.1988 1.4035 1.4157 1.5331 1.5384 1.9701 1.9892 2.3772 2.4284 2.4319 2.4370 2.5255 2.5356 2.5634 2.5688 2.6273 2.6716 2.9172 2.9264 3.0279 3.0817 3.1564 3.1831 3.8389 3.8413 4.1261 4.1743 4.1808 4.2067 4.2113 4.2146 4.3359 4.3408 4.3599 4.3735 4.4383 4.5312 4.7239 4.7457 4.8361 4.8473 4.8769 4.9132 4.9295 4.9462 5.0422 5.1042 5.5077 5.5283 5.5479 5.5676 5.9591 5.9674 8.4018 8.4169 8.5304 8.6779 8.6881 8.6917 9.1125 9.2213 9.2384 9.3267 10.8448 10.8466 11.4255 11.4325 k = 0.4024 0.4024-0.0000 ( 5986 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9556 -25.9556 -25.9538 -25.9538 -6.6609 -6.6596 -6.3399 -6.3126 -6.2505 -6.2497 -6.1512 -6.1230 1.1732 1.1915 1.3876 1.4007 1.5518 1.5583 1.9381 1.9592 2.3785 2.4243 2.4308 2.4400 2.5246 2.5347 2.5693 2.5761 2.6482 2.6973 2.9171 2.9280 3.0392 3.0925 3.1704 3.2051 3.8358 3.8387 4.1184 4.1725 4.1789 4.1998 4.2072 4.2145 4.3345 4.3354 4.3569 4.3746 4.4523 4.5509 4.7067 4.7322 4.8318 4.8482 4.8824 4.9139 4.9267 4.9435 5.0605 5.1247 5.5083 5.5333 5.5533 5.5737 5.9454 5.9538 8.3951 8.4120 8.5105 8.6736 8.6843 8.6902 9.0851 9.2080 9.2266 9.3236 10.7779 10.7790 11.4808 11.4899 k = 0.3902 0.3902-0.0000 ( 5974 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9555 -25.9555 -25.9537 -25.9537 -6.6796 -6.6781 -6.3345 -6.3060 -6.2457 -6.2447 -6.1442 -6.1148 1.1631 1.1831 1.3698 1.3837 1.5719 1.5796 1.9055 1.9284 2.3817 2.4201 2.4272 2.4454 2.5233 2.5326 2.5772 2.5857 2.6702 2.7244 2.9172 2.9300 3.0515 3.1035 3.1854 3.2281 3.8323 3.8358 4.1111 4.1711 4.1771 4.1911 4.2019 4.2140 4.3302 4.3337 4.3545 4.3762 4.4678 4.5708 4.6902 4.7186 4.8279 4.8488 4.8887 4.9044 4.9335 4.9385 5.0797 5.1459 5.5090 5.5397 5.5578 5.5774 5.9332 5.9414 8.3880 8.4065 8.4902 8.6670 8.6804 8.6889 9.0574 9.1930 9.2127 9.3178 10.7088 10.7095 11.5383 11.5498 k = 0.3780 0.3780-0.0000 ( 5978 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9554 -25.9554 -25.9537 -25.9537 -6.6994 -6.6976 -6.3285 -6.2990 -6.2403 -6.2391 -6.1370 -6.1067 1.1520 1.1734 1.3503 1.3649 1.5930 1.6019 1.8729 1.8974 2.3869 2.4158 2.4231 2.4513 2.5220 2.5299 2.5866 2.5970 2.6930 2.7525 2.9176 2.9322 3.0645 3.1146 3.2012 3.2515 3.8285 3.8326 4.1040 4.1700 4.1749 4.1812 4.1952 4.2132 4.3256 4.3334 4.3531 4.3781 4.4845 4.5903 4.6746 4.7052 4.8241 4.8488 4.8929 4.8956 4.9318 4.9420 5.0994 5.1674 5.5089 5.5476 5.5617 5.5779 5.9236 5.9313 8.3808 8.4006 8.4696 8.6586 8.6764 8.6875 9.0295 9.1764 9.1969 9.3095 10.6377 10.6382 11.5963 11.6104 k = 0.3659 0.3659-0.0000 ( 5982 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9554 -25.9554 -25.9537 -25.9537 -6.7199 -6.7180 -6.3219 -6.2918 -6.2342 -6.2329 -6.1298 -6.0989 1.1398 1.1623 1.3292 1.3444 1.6143 1.6242 1.8413 1.8673 2.3940 2.4116 2.4188 2.4572 2.5216 2.5270 2.5975 2.6097 2.7166 2.7813 2.9182 2.9347 3.0780 3.1260 3.2174 3.2748 3.8245 3.8292 4.0973 4.1673 4.1690 4.1754 4.1871 4.2122 4.3218 4.3333 4.3528 4.3805 4.5020 4.6084 4.6610 4.6920 4.8205 4.8480 4.8812 4.9028 4.9238 4.9507 5.1196 5.1888 5.5064 5.5567 5.5663 5.5748 5.9173 5.9243 8.3735 8.3941 8.4491 8.6485 8.6723 8.6858 9.0017 9.1581 9.1789 9.2986 10.5647 10.5653 11.6528 11.6698 k = 0.3537 0.3537-0.0000 ( 5984 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9553 -25.9553 -25.9537 -25.9537 -6.7411 -6.7390 -6.3148 -6.2844 -6.2276 -6.2261 -6.1227 -6.0916 1.1264 1.1499 1.3066 1.3223 1.6342 1.6452 1.8124 1.8396 2.4020 2.4086 2.4143 2.4624 2.5230 2.5244 2.6097 2.6235 2.7407 2.8107 2.9192 2.9376 3.0917 3.1374 3.2340 3.2977 3.8201 3.8255 4.0909 4.1542 4.1673 4.1741 4.1787 4.2113 4.3192 4.3334 4.3538 4.3834 4.5199 4.6204 4.6536 4.6792 4.8169 4.8457 4.8703 4.9088 4.9164 4.9590 5.1403 5.2098 5.4996 5.5607 5.5732 5.5744 5.9147 5.9212 8.3662 8.3872 8.4289 8.6369 8.6681 8.6836 8.9741 9.1383 9.1590 9.2854 10.4900 10.4909 11.7063 11.7263 k = 0.3415 0.3415-0.0000 ( 5976 PWs) bands (ev): -61.6926 -61.6926 -34.6064 -34.6064 -25.9552 -25.9552 -25.9536 -25.9536 -6.7627 -6.7606 -6.3072 -6.2768 -6.2203 -6.2189 -6.1157 -6.0846 1.1120 1.1361 1.2827 1.2988 1.6502 1.6612 1.7897 1.8171 2.4018 2.4097 2.4156 2.4661 2.5224 2.5273 2.6230 2.6384 2.7653 2.8404 2.9204 2.9408 3.1054 3.1490 3.2507 3.3200 3.8155 3.8215 4.0850 4.1394 4.1608 4.1737 4.1740 4.2106 4.3179 4.3337 4.3560 4.3866 4.5382 4.6174 4.6616 4.6667 4.8131 4.8401 4.8622 4.9036 4.9196 4.9666 5.1619 5.2306 5.4878 5.5498 5.5836 5.5863 5.9160 5.9219 8.3591 8.3792 8.4097 8.6239 8.6636 8.6810 8.9468 9.1168 9.1372 9.2699 10.4137 10.4151 11.7553 11.7782 k = 0.3293 0.3293-0.0000 ( 5968 PWs) bands (ev): -61.6926 -61.6926 -34.6064 -34.6064 -25.9551 -25.9550 -25.9536 -25.9536 -6.7846 -6.7825 -6.2992 -6.2689 -6.2126 -6.2111 -6.1090 -6.0780 1.0965 1.1208 1.2575 1.2739 1.6574 1.6652 1.7803 1.8043 2.3979 2.4051 2.4273 2.4677 2.5217 2.5352 2.6373 2.6542 2.7904 2.8704 2.9221 2.9444 3.1192 3.1606 3.2673 3.3412 3.8108 3.8172 4.0796 4.1234 4.1491 4.1737 4.1739 4.2101 4.3178 4.3341 4.3594 4.3903 4.5565 4.6063 4.6546 4.6779 4.8090 4.8305 4.8579 4.8942 4.9266 4.9731 5.1843 5.2510 5.4711 5.5328 5.5976 5.6023 5.9208 5.9262 8.3522 8.3690 8.3930 8.6097 8.6587 8.6776 8.9198 9.0939 9.1136 9.2523 10.3360 10.3380 11.7985 11.8243 k = 0.3171 0.3171-0.0000 ( 5980 PWs) bands (ev): -61.6926 -61.6926 -34.6064 -34.6064 -25.9550 -25.9550 -25.9536 -25.9536 -6.8067 -6.8046 -6.2909 -6.2609 -6.2043 -6.2030 -6.1025 -6.0720 1.0799 1.1043 1.2314 1.2479 1.6517 1.6530 1.7883 1.8057 2.3939 2.4006 2.4389 2.4671 2.5237 2.5466 2.6526 2.6709 2.8158 2.9000 2.9240 2.9487 3.1328 3.1722 3.2837 3.3613 3.8058 3.8126 4.0742 4.1062 4.1356 4.1746 4.1747 4.2101 4.3191 4.3346 4.3637 4.3943 4.5745 4.5935 4.6429 4.6954 4.8041 4.8185 4.8560 4.8848 4.9334 4.9782 5.2079 5.2715 5.4505 5.5121 5.6149 5.6205 5.9284 5.9334 8.3454 8.3550 8.3805 8.5943 8.6533 8.6734 8.8933 9.0697 9.0883 9.2324 10.2569 10.2598 11.8353 11.8638 k = 0.3049 0.3049-0.0000 ( 5986 PWs) bands (ev): -61.6926 -61.6926 -34.6064 -34.6064 -25.9549 -25.9549 -25.9535 -25.9535 -6.8288 -6.8268 -6.2822 -6.2527 -6.1957 -6.1945 -6.0964 -6.0665 1.0623 1.0865 1.2043 1.2210 1.6301 1.6343 1.8084 1.8200 2.3900 2.3961 2.4483 2.4649 2.5300 2.5612 2.6687 2.6883 2.8417 2.9262 2.9281 2.9549 3.1463 3.1837 3.2996 3.3801 3.8006 3.8076 4.0684 4.0882 4.1220 4.1759 4.1765 4.2108 4.3218 4.3356 4.3690 4.3988 4.5806 4.5920 4.6318 4.7128 4.7981 4.8058 4.8549 4.8762 4.9396 4.9819 5.2329 5.2924 5.4270 5.4885 5.6349 5.6408 5.9383 5.9429 8.3379 8.3388 8.3716 8.5780 8.6472 8.6682 8.8674 9.0443 9.0615 9.2107 10.1768 10.1806 11.8659 11.8966 k = 0.2927 0.2927-0.0000 ( 5972 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9547 -25.9547 -25.9535 -25.9535 -6.8509 -6.8490 -6.2732 -6.2444 -6.1867 -6.1857 -6.0905 -6.0614 1.0438 1.0675 1.1766 1.1932 1.6027 1.6101 1.8343 1.8422 2.3862 2.3917 2.4539 2.4616 2.5421 2.5782 2.6856 2.7065 2.8679 2.9288 2.9472 2.9703 3.1596 3.1951 3.3150 3.3974 3.7952 3.8022 4.0610 4.0693 4.1101 4.1778 4.1788 4.2124 4.3257 4.3368 4.3751 4.4036 4.5679 4.6080 4.6221 4.7291 4.7910 4.7936 4.8544 4.8689 4.9451 4.9841 5.2595 5.3139 5.4018 5.4631 5.6571 5.6628 5.9497 5.9539 8.3196 8.3324 8.3645 8.5609 8.6404 8.6619 8.8421 9.0179 9.0335 9.1870 10.0956 10.1004 11.8908 11.9230 k = 0.2805 0.2805-0.0000 ( 5956 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9546 -25.9546 -25.9534 -25.9534 -6.8728 -6.8710 -6.2640 -6.2361 -6.1774 -6.1766 -6.0850 -6.0569 1.0246 1.0476 1.1482 1.1647 1.5736 1.5826 1.8630 1.8687 2.3826 2.3875 2.4554 2.4574 2.5600 2.5974 2.7031 2.7253 2.8944 2.9318 2.9550 2.9971 3.1728 3.2065 3.3297 3.4131 3.7896 3.7964 4.0497 4.0502 4.1020 4.1801 4.1816 4.2151 4.3309 4.3385 4.3818 4.4087 4.5556 4.6088 4.6272 4.7423 4.7823 4.7838 4.8539 4.8633 4.9497 4.9850 5.2878 5.3357 5.3762 5.4364 5.6812 5.6862 5.9622 5.9660 8.3013 8.3261 8.3582 8.5434 8.6326 8.6541 8.8175 8.9908 9.0046 9.1617 10.0135 10.0193 11.9107 11.9437 k = 0.2683 0.2683-0.0000 ( 5954 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9545 -25.9545 -25.9534 -25.9533 -6.8945 -6.8928 -6.2547 -6.2277 -6.1679 -6.1673 -6.0798 -6.0528 1.0047 1.0270 1.1195 1.1357 1.5442 1.5539 1.8930 1.8974 2.3790 2.3834 2.4527 2.4539 2.5822 2.6182 2.7212 2.7445 2.9213 2.9350 2.9601 3.0263 3.1858 3.2177 3.3436 3.4271 3.7838 3.7900 4.0295 4.0352 4.0987 4.1827 4.1846 4.2191 4.3372 4.3405 4.3892 4.4141 4.5438 4.5996 4.6418 4.7466 4.7725 4.7823 4.8535 4.8593 4.9533 4.9846 5.3173 5.3417 5.3672 5.4096 5.7065 5.7106 5.9751 5.9785 8.2833 8.3198 8.3523 8.5256 8.6236 8.6448 8.7935 8.9632 8.9750 9.1348 9.9307 9.9375 11.9269 11.9595 k = 0.2561 0.2561-0.0000 ( 5950 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9543 -25.9543 -25.9533 -25.9533 -6.9158 -6.9142 -6.2452 -6.2194 -6.1582 -6.1578 -6.0749 -6.0492 0.9844 1.0057 1.0905 1.1065 1.5151 1.5248 1.9237 1.9273 2.3756 2.3794 2.4475 2.4505 2.6074 2.6403 2.7397 2.7642 2.9384 2.9484 2.9648 3.0557 3.1987 3.2288 3.3567 3.4393 3.7777 3.7830 4.0087 4.0169 4.0995 4.1856 4.1881 4.2247 4.3429 4.3448 4.3971 4.4197 4.5325 4.5903 4.6555 4.7398 4.7622 4.7916 4.8531 4.8568 4.9561 4.9834 5.3168 5.3449 5.3860 5.3907 5.7326 5.7358 5.9882 5.9911 8.2659 8.3132 8.3467 8.5077 8.6134 8.6338 8.7703 8.9355 8.9450 9.1066 9.8471 9.8551 11.9401 11.9714 k = 0.2439 0.2439-0.0000 ( 5952 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9542 -25.9542 -25.9533 -25.9533 -6.9366 -6.9352 -6.2356 -6.2111 -6.1485 -6.1482 -6.0703 -6.0460 0.9637 0.9840 1.0615 1.0771 1.4865 1.4958 1.9547 1.9579 2.3723 2.3756 2.4420 2.4459 2.6345 2.6634 2.7586 2.7842 2.9422 2.9693 2.9757 3.0846 3.2116 3.2399 3.3689 3.4499 3.7712 3.7755 3.9874 3.9965 4.1032 4.1885 4.1920 4.2320 4.3456 4.3533 4.4055 4.4253 4.5218 4.5813 4.6671 4.7286 4.7523 4.8049 4.8525 4.8556 4.9580 4.9815 5.2895 5.3438 5.3928 5.4188 5.7592 5.7615 6.0010 6.0035 8.2491 8.3063 8.3412 8.4900 8.6017 8.6210 8.7479 8.9079 8.9151 9.0771 9.7630 9.7720 11.9513 11.9809 k = 0.2317 0.2317-0.0000 ( 5952 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9541 -25.9541 -25.9532 -25.9532 -6.9569 -6.9556 -6.2261 -6.2030 -6.1387 -6.1386 -6.0659 -6.0432 0.9429 0.9621 1.0326 1.0477 1.4586 1.4673 1.9858 1.9886 2.3692 2.3719 2.4363 2.4407 2.6628 2.6873 2.7776 2.8042 2.9462 2.9737 3.0032 3.1127 3.2246 3.2510 3.3802 3.4588 3.7644 3.7673 3.9656 3.9748 4.1094 4.1914 4.1963 4.2411 4.3488 4.3629 4.4141 4.4308 4.5119 4.5728 4.6751 4.7163 4.7448 4.8190 4.8518 4.8554 4.9593 4.9792 5.2623 5.3189 5.4254 5.4493 5.7859 5.7873 6.0135 6.0153 8.2331 8.2988 8.3358 8.4727 8.5885 8.6064 8.7263 8.8807 8.8856 9.0467 9.6785 9.6884 11.9612 11.9890 k = 0.2195 0.2195-0.0000 ( 5952 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9540 -25.9540 -25.9532 -25.9532 -6.9766 -6.9755 -6.2166 -6.1951 -6.1291 -6.1289 -6.0618 -6.0408 0.9222 0.9402 1.0040 1.0185 1.4315 1.4395 2.0167 2.0192 2.3662 2.3684 2.4305 2.4350 2.6917 2.7117 2.7968 2.8243 2.9504 2.9781 3.0306 3.1396 3.2381 3.2621 3.3906 3.4661 3.7572 3.7586 3.9435 3.9522 4.1174 4.1945 4.2012 4.2520 4.3524 4.3733 4.4230 4.4360 4.5030 4.5648 4.6775 4.7039 4.7419 4.8328 4.8509 4.8558 4.9601 4.9769 5.2355 5.2917 5.4622 5.4820 5.8124 5.8130 6.0254 6.0266 8.2181 8.2907 8.3303 8.4559 8.5736 8.5901 8.7056 8.8543 8.8568 9.0155 9.5936 9.6044 11.9706 11.9966 k = 0.2073 0.2073-0.0000 ( 5956 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9539 -25.9539 -25.9532 -25.9532 -6.9957 -6.9947 -6.2073 -6.1874 -6.1196 -6.1192 -6.0579 -6.0387 0.9016 0.9185 0.9758 0.9898 1.4054 1.4126 2.0470 2.0493 2.3632 2.3650 2.4247 2.4291 2.7207 2.7364 2.8159 2.8441 2.9548 2.9824 3.0579 3.1648 3.2522 3.2733 3.4002 3.4720 3.7494 3.7495 3.9211 3.9289 4.1269 4.1975 4.2067 4.2645 4.3564 4.3845 4.4320 4.4403 4.4956 4.5572 4.6732 4.6916 4.7450 4.8450 4.8511 4.8570 4.9605 4.9747 5.2093 5.2645 5.5010 5.5168 5.8384 5.8384 6.0365 6.0372 8.2040 8.2819 8.3247 8.4397 8.5572 8.5721 8.6860 8.8289 8.8290 8.9838 9.5085 9.5202 11.9800 12.0044 k = 0.1951 0.1951-0.0000 ( 5956 PWs) bands (ev): -61.6926 -61.6926 -34.6061 -34.6061 -25.9538 -25.9538 -25.9531 -25.9531 -7.0140 -7.0131 -6.1981 -6.1800 -6.1102 -6.1097 -6.0542 -6.0369 0.8814 0.8971 0.9483 0.9616 1.3803 1.3867 2.0767 2.0788 2.3604 2.3617 2.4189 2.4231 2.7495 2.7610 2.8349 2.8636 2.9594 2.9867 3.0850 3.1880 3.2673 3.2848 3.4090 3.4765 3.7396 3.7414 3.8985 3.9052 4.1374 4.2007 4.2130 4.2785 4.3608 4.3963 4.4410 4.4432 4.4904 4.5501 4.6642 4.6796 4.7523 4.8465 4.8585 4.8611 4.9609 4.9728 5.1841 5.2377 5.5414 5.5535 5.8631 5.8636 6.0469 6.0469 8.1910 8.2723 8.3190 8.4241 8.5392 8.5526 8.6676 8.8022 8.8048 8.9518 9.4234 9.4359 11.9900 12.0129 k = 0.1829 0.1829-0.0000 ( 5954 PWs) bands (ev): -61.6926 -61.6926 -34.6061 -34.6061 -25.9537 -25.9537 -25.9531 -25.9531 -7.0315 -7.0308 -6.1892 -6.1730 -6.1010 -6.1004 -6.0507 -6.0353 0.8617 0.8763 0.9215 0.9341 1.3563 1.3618 2.1055 2.1074 2.3576 2.3585 2.4132 2.4172 2.7777 2.7855 2.8536 2.8826 2.9642 2.9909 3.1117 3.2088 3.2836 3.2966 3.4170 3.4798 3.7295 3.7328 3.8757 3.8813 4.1486 4.2040 4.2204 4.2937 4.3656 4.4083 4.4441 4.4500 4.4881 4.5435 4.6528 4.6679 4.7616 4.8445 4.8606 4.8738 4.9612 4.9715 5.1599 5.2115 5.5830 5.5919 5.8870 5.8878 6.0559 6.0565 8.1793 8.2621 8.3129 8.4091 8.5199 8.5318 8.6508 8.7768 8.7820 8.9199 9.3385 9.3517 12.0009 12.0227 k = 0.1707 0.1707-0.0000 ( 5956 PWs) bands (ev): -61.6926 -61.6926 -34.6061 -34.6061 -25.9536 -25.9536 -25.9530 -25.9530 -7.0481 -7.0475 -6.1806 -6.1663 -6.0921 -6.0913 -6.0474 -6.0339 0.8427 0.8561 0.8956 0.9076 1.3334 1.3381 2.1332 2.1350 2.3549 2.3554 2.4078 2.4114 2.8051 2.8095 2.8719 2.9009 2.9691 2.9949 3.1379 3.2271 3.3011 3.3088 3.4243 3.4821 3.7191 3.7237 3.8529 3.8573 4.1601 4.2073 4.2288 4.3099 4.3708 4.4198 4.4431 4.4587 4.4889 4.5375 4.6402 4.6565 4.7716 4.8419 4.8631 4.8862 4.9616 4.9708 5.1368 5.1860 5.6256 5.6317 5.9098 5.9107 6.0641 6.0654 8.1690 8.2515 8.3067 8.3945 8.4993 8.5100 8.6356 8.7527 8.7607 8.8882 9.2541 9.2678 12.0131 12.0339 k = 0.1585 0.1585-0.0000 ( 5944 PWs) bands (ev): -61.6926 -61.6926 -34.6061 -34.6061 -25.9534 -25.9534 -25.9530 -25.9530 -7.0639 -7.0634 -6.1724 -6.1600 -6.0835 -6.0826 -6.0442 -6.0327 0.8245 0.8368 0.8708 0.8821 1.3118 1.3157 2.1598 2.1614 2.3522 2.3524 2.4028 2.4060 2.8313 2.8329 2.8897 2.9183 2.9741 2.9988 3.1633 3.2432 3.3195 3.3216 3.4311 3.4834 3.7085 3.7143 3.8301 3.8333 4.1713 4.2108 4.2387 4.3268 4.3764 4.4281 4.4437 4.4670 4.4923 4.5320 4.6273 4.6455 4.7815 4.8390 4.8662 4.8983 4.9624 4.9706 5.1149 5.1615 5.6689 5.6727 5.9312 5.9321 6.0715 6.0734 8.1602 8.2410 8.3002 8.3800 8.4777 8.4875 8.6223 8.7300 8.7409 8.8570 9.1705 9.1845 12.0267 12.0468 k = 0.1463 0.1463-0.0000 ( 5954 PWs) bands (ev): -61.6926 -61.6926 -34.6061 -34.6061 -25.9534 -25.9534 -25.9530 -25.9530 -7.0786 -7.0782 -6.1647 -6.1542 -6.0752 -6.0743 -6.0411 -6.0316 0.8071 0.8184 0.8473 0.8577 1.2914 1.2946 2.1849 2.1863 2.3495 2.3496 2.3981 2.4009 2.8555 2.8562 2.9068 2.9346 2.9793 3.0025 3.1877 3.2575 3.3349 3.3384 3.4374 3.4840 3.6976 3.7043 3.8073 3.8094 4.1819 4.2143 4.2499 4.3439 4.3822 4.4281 4.4514 4.4747 4.4970 4.5271 4.6143 4.6348 4.7907 4.8357 4.8703 4.9099 4.9634 4.9710 5.0943 5.1379 5.7125 5.7143 5.9511 5.9519 6.0784 6.0808 8.1532 8.2308 8.2935 8.3655 8.4555 8.4645 8.6110 8.7087 8.7225 8.8265 9.0882 9.1023 12.0419 12.0614 k = 0.1341 0.1341-0.0000 ( 5950 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9533 -25.9533 -25.9529 -25.9529 -7.0924 -7.0921 -6.1575 -6.1488 -6.0674 -6.0664 -6.0382 -6.0306 0.7908 0.8010 0.8251 0.8348 1.2724 1.2750 2.2083 2.2095 2.3467 2.3470 2.3939 2.3964 2.8770 2.8796 2.9232 2.9496 2.9847 3.0061 3.2111 3.2705 3.3488 3.3571 3.4434 3.4840 3.6866 3.6940 3.7847 3.7858 4.1917 4.2178 4.2625 4.3610 4.3883 4.4242 4.4625 4.4817 4.5026 4.5230 4.6015 4.6245 4.7986 4.8323 4.8756 4.9210 4.9648 4.9720 5.0753 5.1154 5.7559 5.7563 5.9693 5.9699 6.0848 6.0877 8.1482 8.2216 8.2866 8.3510 8.4329 8.4415 8.6017 8.6888 8.7056 8.7969 9.0077 9.0214 12.0587 12.0779 k = 0.1220 0.1220-0.0000 ( 5954 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9532 -25.9532 -25.9529 -25.9529 -7.1051 -7.1049 -6.1509 -6.1439 -6.0600 -6.0591 -6.0355 -6.0296 0.7757 0.7848 0.8044 0.8133 1.2548 1.2568 2.2300 2.2310 2.3439 2.3444 2.3902 2.3923 2.8973 2.9013 2.9388 2.9632 2.9904 3.0094 3.2333 3.2825 3.3633 3.3754 3.4491 3.4836 3.6757 3.6833 3.7622 3.7625 4.2007 4.2213 4.2762 4.3774 4.3947 4.4198 4.4737 4.4878 4.5085 4.5197 4.5891 4.6143 4.8048 4.8287 4.8824 4.9316 4.9666 4.9733 5.0577 5.0942 5.7981 5.7988 5.9855 5.9858 6.0910 6.0943 8.1454 8.2137 8.2799 8.3363 8.4103 8.4188 8.5944 8.6704 8.6898 8.7680 8.9299 8.9426 12.0769 12.0958 k = 0.1098 0.1098-0.0000 ( 5948 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9531 -25.9531 -25.9529 -25.9529 -7.1167 -7.1165 -6.1449 -6.1395 -6.0532 -6.0523 -6.0330 -6.0286 0.7617 0.7698 0.7853 0.7934 1.2386 1.2401 2.2498 2.2506 2.3412 2.3419 2.3872 2.3889 2.9161 2.9210 2.9536 2.9753 2.9963 3.0125 3.2543 3.2939 3.3782 3.3929 3.4547 3.4829 3.6650 3.6725 3.7398 3.7402 4.2089 4.2248 4.2908 4.3925 4.4014 4.4157 4.4844 4.4927 4.5144 4.5176 4.5774 4.6045 4.8090 4.8252 4.8908 4.9415 4.9686 4.9749 5.0419 5.0744 5.8390 5.8404 5.9996 5.9996 6.0972 6.1006 8.1449 8.2076 8.2733 8.3217 8.3879 8.3967 8.5887 8.6534 8.6750 8.7395 8.8560 8.8664 12.0964 12.1151 k = 0.0976 0.0976-0.0000 ( 5948 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9530 -25.9530 -25.9529 -25.9529 -7.1272 -7.1271 -6.1396 -6.1356 -6.0470 -6.0461 -6.0307 -6.0276 0.7491 0.7562 0.7680 0.7752 1.2240 1.2251 2.2675 2.2681 2.3386 2.3394 2.3850 2.3863 2.9332 2.9385 2.9674 2.9858 3.0026 3.0154 3.2738 3.3046 3.3934 3.4094 3.4602 3.4821 3.6544 3.6614 3.7177 3.7186 4.2163 4.2282 4.3058 4.4042 4.4098 4.4122 4.4941 4.4963 4.5166 4.5203 4.5666 4.5949 4.8113 4.8216 4.9008 4.9507 4.9708 4.9767 5.0278 5.0562 5.8783 5.8801 6.0113 6.0116 6.1036 6.1070 8.1472 8.2037 8.2671 8.3074 8.3660 8.3754 8.5843 8.6375 8.6602 8.7099 8.7891 8.7940 12.1167 12.1351 k = 0.0854 0.0854-0.0000 ( 5940 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9529 -25.9529 -25.9528 -25.9528 -7.1365 -7.1364 -6.1349 -6.1321 -6.0413 -6.0405 -6.0286 -6.0266 0.7378 0.7440 0.7525 0.7588 1.2110 1.2117 2.2830 2.2833 2.3362 2.3370 2.3834 2.3844 2.9482 2.9534 2.9802 2.9950 3.0090 3.0181 3.2919 3.3148 3.4088 3.4248 3.4657 3.4814 3.6442 3.6505 3.6964 3.6976 4.2229 4.2315 4.3210 4.4095 4.4110 4.4207 4.4991 4.5027 4.5163 4.5258 4.5573 4.5854 4.8119 4.8182 4.9117 4.9589 4.9730 4.9784 5.0156 5.0396 5.9153 5.9172 6.0209 6.0214 6.1104 6.1134 8.1523 8.2025 8.2616 8.2937 8.3451 8.3553 8.5804 8.6220 8.6414 8.6777 8.7274 8.7356 12.1372 12.1546 k = 0.0732 0.0732-0.0000 ( 5948 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9529 -25.9529 -25.9528 -25.9528 -7.1447 -7.1446 -6.1309 -6.1291 -6.0363 -6.0356 -6.0267 -6.0257 0.7280 0.7332 0.7390 0.7444 1.1995 1.1999 2.2960 2.2962 2.3340 2.3348 2.3827 2.3834 2.9611 2.9656 2.9919 3.0033 3.0150 3.0206 3.3083 3.3243 3.4241 3.4391 3.4712 3.4810 3.6344 3.6397 3.6759 3.6773 4.2288 4.2345 4.3361 4.4077 4.4159 4.4299 4.5018 4.5100 4.5159 4.5308 4.5502 4.5762 4.8114 4.8150 4.9230 4.9662 4.9751 4.9800 5.0054 5.0250 5.9490 5.9507 6.0286 6.0291 6.1176 6.1201 8.1605 8.2043 8.2570 8.2810 8.3253 8.3364 8.5731 8.6045 8.6058 8.6530 8.6721 8.6999 12.1566 12.1702 k = 0.0610 0.0610-0.0000 ( 5960 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9529 -25.9529 -25.9528 -25.9528 -7.1516 -7.1516 -6.1276 -6.1265 -6.0320 -6.0314 -6.0251 -6.0247 0.7196 0.7240 0.7274 0.7319 1.1897 1.1899 2.3066 2.3067 2.3321 2.3328 2.3827 2.3831 2.9717 2.9750 3.0025 3.0111 3.0204 3.0230 3.3228 3.3330 3.4389 3.4522 3.4765 3.4812 3.6253 3.6293 3.6567 3.6581 4.2338 4.2373 4.3509 4.4069 4.4194 4.4361 4.5052 4.5147 4.5161 4.5352 4.5458 4.5670 4.8101 4.8119 4.9343 4.9722 4.9767 4.9812 4.9974 5.0123 5.9785 5.9799 6.0344 6.0349 6.1252 6.1270 8.1720 8.2092 8.2535 8.2699 8.3071 8.3191 8.5482 8.5531 8.5944 8.6374 8.6397 8.6756 12.1726 12.1787 k = 0.0488 0.0488-0.0000 ( 5984 PWs) bands (ev): -61.6927 -61.6927 -34.6060 -34.6060 -25.9529 -25.9529 -25.9528 -25.9528 -7.1573 -7.1573 -6.1250 -6.1244 -6.0285 -6.0279 -6.0239 -6.0239 0.7128 0.7163 0.7179 0.7216 1.1816 1.1817 2.3148 2.3148 2.3304 2.3310 2.3833 2.3835 2.9799 2.9820 3.0118 3.0181 3.0247 3.0252 3.3350 3.3408 3.4531 3.4641 3.4814 3.4820 3.6170 3.6197 3.6390 3.6402 4.2378 4.2397 4.3652 4.4070 4.4212 4.4387 4.5092 4.5136 4.5207 4.5386 4.5439 4.5581 4.8084 4.8092 4.9450 4.9769 4.9774 4.9818 4.9919 5.0019 6.0030 6.0039 6.0388 6.0391 6.1328 6.1340 8.1867 8.2174 8.2515 8.2607 8.2909 8.3035 8.5010 8.5040 8.5921 8.6211 8.6302 8.6567 12.1818 12.1829 k = 0.0366 0.0366-0.0000 ( 5991 PWs) bands (ev): -61.6927 -61.6927 -34.6060 -34.6060 -25.9529 -25.9529 -25.9528 -25.9528 -7.1618 -7.1618 -6.1230 -6.1228 -6.0257 -6.0252 -6.0231 -6.0229 0.7076 0.7102 0.7106 0.7133 1.1752 1.1753 2.3206 2.3207 2.3291 2.3296 2.3843 2.3844 2.9860 2.9870 3.0195 3.0239 3.0272 3.0279 3.3447 3.3474 3.4661 3.4745 3.4836 3.4857 3.6098 3.6114 3.6234 3.6243 4.2409 4.2418 4.3790 4.4082 4.4215 4.4376 4.5123 4.5153 4.5241 4.5411 4.5434 4.5494 4.8066 4.8070 4.9547 4.9768 4.9797 4.9818 4.9892 4.9941 6.0219 6.0224 6.0418 6.0421 6.1402 6.1407 8.2044 8.2284 8.2509 8.2540 8.2771 8.2898 8.4533 8.4570 8.5937 8.6131 8.6227 8.6412 12.1849 12.1851 k = 0.0244 0.0244-0.0000 ( 6007 PWs) bands (ev): -61.6927 -61.6927 -34.6060 -34.6060 -25.9529 -25.9529 -25.9528 -25.9528 -7.1650 -7.1649 -6.1217 -6.1216 -6.0236 -6.0233 -6.0225 -6.0223 0.7039 0.7055 0.7057 0.7073 1.1707 1.1707 2.3245 2.3246 2.3281 2.3285 2.3854 2.3854 2.9901 2.9904 3.0253 3.0282 3.0290 3.0300 3.3516 3.3525 3.4772 3.4829 3.4858 3.4887 3.6041 3.6048 3.6107 3.6112 4.2431 4.2434 4.3921 4.4101 4.4203 4.4328 4.5150 4.5194 4.5261 4.5404 4.5433 4.5435 4.8052 4.8053 4.9631 4.9755 4.9794 4.9815 4.9886 4.9898 6.0352 6.0353 6.0439 6.0440 6.1463 6.1465 8.2239 8.2400 8.2516 8.2522 8.2664 8.2782 8.4124 8.4147 8.5973 8.6092 8.6167 8.6284 12.1856 12.1857 k = 0.0122 0.0122-0.0000 ( 6031 PWs) bands (ev): -61.6927 -61.6927 -34.6061 -34.6061 -25.9529 -25.9529 -25.9529 -25.9529 -7.1669 -7.1669 -6.1209 -6.1209 -6.0224 -6.0222 -6.0221 -6.0219 0.7019 0.7025 0.7028 0.7034 1.1679 1.1679 2.3267 2.3268 2.3276 2.3277 2.3861 2.3861 2.9923 2.9924 3.0292 3.0303 3.0305 3.0311 3.3557 3.3558 3.4854 3.4881 3.4882 3.4901 3.6003 3.6005 3.6020 3.6023 4.2443 4.2444 4.4043 4.4127 4.4181 4.4251 4.5195 4.5231 4.5266 4.5328 4.5437 4.5437 4.8041 4.8041 4.9701 4.9749 4.9772 4.9793 4.9886 4.9887 6.0429 6.0429 6.0450 6.0451 6.1505 6.1505 8.2406 8.2445 8.2558 8.2580 8.2605 8.2687 8.3821 8.3826 8.6024 8.6081 8.6121 8.6178 12.1857 12.1857 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -61.6927 -61.6927 -34.6061 -34.6061 -25.9529 -25.9529 -25.9529 -25.9529 -7.1675 -7.1675 -6.1206 -6.1206 -6.0219 -6.0219 -6.0219 -6.0219 0.7017 0.7017 0.7017 0.7017 1.1670 1.1670 2.3274 2.3274 2.3274 2.3274 2.3864 2.3864 2.9930 2.9930 3.0310 3.0310 3.0310 3.0310 3.3569 3.3569 3.4895 3.4895 3.4895 3.4895 3.5990 3.5990 3.5990 3.5990 4.2447 4.2447 4.4155 4.4155 4.4155 4.4155 4.5256 4.5256 4.5256 4.5256 4.5439 4.5439 4.8038 4.8038 4.9755 4.9755 4.9755 4.9755 4.9887 4.9887 6.0454 6.0454 6.0454 6.0454 6.1519 6.1519 8.2454 8.2454 8.2617 8.2617 8.2617 8.2617 8.3698 8.3698 8.6092 8.6092 8.6092 8.6092 12.1857 12.1857 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -61.6927 -61.6927 -34.6061 -34.6061 -25.9529 -25.9529 -25.9529 -25.9529 -7.1675 -7.1675 -6.1206 -6.1206 -6.0219 -6.0219 -6.0219 -6.0219 0.7017 0.7017 0.7017 0.7017 1.1670 1.1670 2.3274 2.3274 2.3274 2.3274 2.3864 2.3864 2.9930 2.9930 3.0310 3.0310 3.0310 3.0310 3.3569 3.3569 3.4895 3.4895 3.4895 3.4895 3.5990 3.5990 3.5990 3.5990 4.2447 4.2447 4.4155 4.4155 4.4155 4.4155 4.5256 4.5256 4.5256 4.5256 4.5439 4.5439 4.8038 4.8038 4.9755 4.9755 4.9755 4.9755 4.9887 4.9887 6.0454 6.0454 6.0454 6.0454 6.1519 6.1519 8.2454 8.2454 8.2617 8.2617 8.2617 8.2617 8.3698 8.3698 8.6092 8.6092 8.6092 8.6092 12.1857 12.1857 k = 0.0100 0.0100 0.0100 ( 6031 PWs) bands (ev): -61.6927 -61.6927 -34.6061 -34.6061 -25.9529 -25.9529 -25.9529 -25.9529 -7.1669 -7.1669 -6.1209 -6.1209 -6.0223 -6.0222 -6.0222 -6.0220 0.7020 0.7027 0.7027 0.7034 1.1679 1.1679 2.3268 2.3268 2.3275 2.3277 2.3861 2.3861 2.9923 2.9923 3.0292 3.0305 3.0305 3.0309 3.3557 3.3557 3.4856 3.4882 3.4882 3.4897 3.6010 3.6010 3.6014 3.6018 4.2443 4.2443 4.4038 4.4155 4.4155 4.4255 4.5194 4.5247 4.5247 4.5331 4.5437 4.5437 4.8041 4.8041 4.9698 4.9762 4.9762 4.9794 4.9886 4.9886 6.0428 6.0428 6.0451 6.0452 6.1505 6.1505 8.2424 8.2424 8.2567 8.2588 8.2588 8.2690 8.3825 8.3825 8.6021 8.6101 8.6101 8.6181 12.1857 12.1857 k = 0.0200 0.0200 0.0200 ( 6007 PWs) bands (ev): -61.6927 -61.6927 -34.6060 -34.6060 -25.9529 -25.9529 -25.9528 -25.9528 -7.1649 -7.1649 -6.1216 -6.1216 -6.0232 -6.0230 -6.0230 -6.0227 0.7042 0.7056 0.7056 0.7071 1.1707 1.1707 2.3247 2.3247 2.3279 2.3283 2.3853 2.3853 2.9902 2.9902 3.0254 3.0289 3.0290 3.0290 3.3521 3.3521 3.4785 3.4845 3.4845 3.4863 3.6068 3.6068 3.6085 3.6093 4.2432 4.2432 4.3912 4.4154 4.4154 4.4332 4.5152 4.5223 4.5223 4.5415 4.5432 4.5432 4.8052 4.8052 4.9624 4.9777 4.9777 4.9816 4.9893 4.9893 6.0347 6.0347 6.0443 6.0444 6.1464 6.1464 8.2303 8.2303 8.2540 8.2595 8.2595 8.2785 8.4139 8.4139 8.5969 8.6131 8.6131 8.6287 12.1856 12.1856 k = 0.0300 0.0300 0.0300 ( 5989 PWs) bands (ev): -61.6927 -61.6927 -34.6060 -34.6060 -25.9529 -25.9529 -25.9528 -25.9528 -7.1617 -7.1617 -6.1229 -6.1229 -6.0246 -6.0243 -6.0243 -6.0238 0.7084 0.7104 0.7104 0.7128 1.1753 1.1753 2.3211 2.3211 2.3286 2.3292 2.3842 2.3842 2.9867 2.9867 3.0198 3.0248 3.0266 3.0266 3.3463 3.3463 3.4694 3.4788 3.4788 3.4806 3.6157 3.6157 3.6190 3.6206 4.2414 4.2414 4.3777 4.4153 4.4153 4.4376 4.5141 4.5183 4.5183 4.5423 4.5423 4.5503 4.8068 4.8068 4.9534 4.9781 4.9781 4.9820 4.9925 4.9925 6.0206 6.0206 6.0428 6.0432 6.1407 6.1407 8.2149 8.2149 8.2533 8.2654 8.2654 8.2901 8.4558 8.4558 8.5934 8.6184 8.6184 8.6412 12.1847 12.1847 k = 0.0400 0.0400 0.0400 ( 5977 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9529 -25.9529 -25.9528 -25.9528 -7.1572 -7.1572 -6.1247 -6.1247 -6.0265 -6.0262 -6.0262 -6.0255 0.7145 0.7171 0.7171 0.7203 1.1817 1.1817 2.3156 2.3156 2.3297 2.3305 2.3831 2.3831 2.9815 2.9815 3.0124 3.0188 3.0232 3.0232 3.3386 3.3386 3.4593 3.4713 3.4713 3.4734 3.6269 3.6269 3.6321 3.6343 4.2388 4.2388 4.3635 4.4150 4.4150 4.4382 4.5132 4.5132 4.5166 4.5410 4.5410 4.5593 4.8088 4.8088 4.9429 4.9763 4.9763 4.9810 4.9995 4.9995 6.0001 6.0001 6.0408 6.0413 6.1341 6.1341 8.2011 8.2011 8.2546 8.2745 8.2745 8.3037 8.5034 8.5034 8.5917 8.6271 8.6271 8.6555 12.1824 12.1824 k = 0.0500 0.0500 0.0500 ( 5962 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9529 -25.9529 -25.9528 -25.9528 -7.1514 -7.1514 -6.1269 -6.1269 -6.0289 -6.0287 -6.0287 -6.0277 0.7226 0.7257 0.7257 0.7298 1.1899 1.1899 2.3080 2.3080 2.3311 2.3320 2.3822 2.3822 2.9748 2.9748 3.0033 3.0108 3.0192 3.0192 3.3293 3.3293 3.4487 3.4625 3.4625 3.4655 3.6401 3.6401 3.6470 3.6497 4.2356 4.2356 4.3488 4.4144 4.4144 4.4352 4.5070 4.5070 4.5224 4.5393 4.5393 4.5685 4.8111 4.8111 4.9312 4.9732 4.9732 4.9786 5.0096 5.0096 5.9732 5.9732 6.0381 6.0389 6.1273 6.1273 8.1905 8.1905 8.2576 8.2860 8.2860 8.3190 8.5518 8.5518 8.5919 8.6427 8.6427 8.6716 12.1780 12.1780 k = 0.0600 0.0600 0.0600 ( 5950 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9529 -25.9529 -25.9528 -25.9528 -7.1444 -7.1444 -6.1297 -6.1297 -6.0318 -6.0316 -6.0316 -6.0304 0.7324 0.7360 0.7360 0.7411 1.1998 1.1998 2.2981 2.2981 2.3328 2.3339 2.3817 2.3817 2.9663 2.9663 2.9925 3.0010 3.0145 3.0145 3.3187 3.3187 3.4381 3.4523 3.4523 3.4573 3.6546 3.6546 3.6632 3.6663 4.2318 4.2318 4.3337 4.4132 4.4132 4.4298 4.5000 4.5000 4.5304 4.5374 4.5374 4.5777 4.8135 4.8135 4.9185 4.9694 4.9694 4.9751 5.0224 5.0224 5.9403 5.9403 6.0348 6.0358 6.1206 6.1206 8.1831 8.1831 8.2620 8.2995 8.2995 8.3357 8.5917 8.5917 8.5941 8.6734 8.6734 8.6895 12.1717 12.1717 k = 0.0700 0.0700 0.0700 ( 5944 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9529 -25.9529 -25.9529 -25.9529 -7.1362 -7.1362 -6.1329 -6.1329 -6.0352 -6.0350 -6.0350 -6.0336 0.7441 0.7481 0.7481 0.7542 1.2113 1.2113 2.2859 2.2859 2.3349 2.3361 2.3819 2.3819 2.9561 2.9561 2.9802 2.9892 3.0093 3.0093 3.3071 3.3071 3.4278 3.4410 3.4410 3.4491 3.6701 3.6701 3.6805 3.6836 4.2275 4.2275 4.3183 4.4113 4.4113 4.4227 4.4925 4.4925 4.5355 4.5355 4.5399 4.5868 4.8158 4.8158 4.9051 4.9652 4.9652 4.9707 5.0376 5.0376 5.9023 5.9023 6.0306 6.0321 6.1139 6.1139 8.1791 8.1791 8.2675 8.3146 8.3146 8.3531 8.5985 8.6170 8.6170 8.7092 8.7245 8.7245 12.1640 12.1640 k = 0.0800 0.0800 0.0800 ( 5953 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9530 -25.9530 -25.9529 -25.9529 -7.1267 -7.1267 -6.1365 -6.1365 -6.0390 -6.0390 -6.0390 -6.0372 0.7574 0.7619 0.7619 0.7690 1.2244 1.2244 2.2713 2.2713 2.3373 2.3385 2.3825 2.3825 2.9442 2.9442 2.9664 2.9758 3.0036 3.0036 3.2944 3.2944 3.4179 3.4287 3.4287 3.4411 3.6862 3.6862 3.6987 3.7013 4.2227 4.2227 4.3026 4.4084 4.4084 4.4146 4.4846 4.4846 4.5336 4.5336 4.5500 4.5956 4.8180 4.8180 4.8915 4.9608 4.9608 4.9658 5.0552 5.0552 5.8601 5.8601 6.0257 6.0277 6.1071 6.1071 8.1783 8.1783 8.2739 8.3307 8.3307 8.3709 8.6052 8.6350 8.6350 8.7306 8.7881 8.7881 12.1554 12.1554 k = 0.0900 0.0900 0.0900 ( 5941 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9530 -25.9530 -25.9530 -25.9530 -7.1161 -7.1161 -6.1406 -6.1406 -6.0433 -6.0433 -6.0433 -6.0412 0.7724 0.7772 0.7772 0.7855 1.2390 1.2390 2.2545 2.2545 2.3400 2.3413 2.3838 2.3838 2.9307 2.9307 2.9514 2.9608 2.9976 2.9976 3.2808 3.2808 3.4084 3.4155 3.4155 3.4332 3.7028 3.7028 3.7176 3.7193 4.2178 4.2178 4.2867 4.4044 4.4044 4.4061 4.4770 4.4770 4.5322 4.5322 4.5605 4.6043 4.8201 4.8201 4.8779 4.9564 4.9564 4.9606 5.0750 5.0750 5.8145 5.8145 6.0201 6.0226 6.1001 6.1001 8.1805 8.1805 8.2809 8.3476 8.3476 8.3884 8.6145 8.6515 8.6515 8.7536 8.8578 8.8578 12.1461 12.1461 k = 0.1000 0.1000 0.1000 ( 5944 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9530 -25.9530 -25.9530 -25.9530 -7.1043 -7.1043 -6.1451 -6.1451 -6.0481 -6.0481 -6.0480 -6.0457 0.7890 0.7940 0.7940 0.8034 1.2550 1.2550 2.2357 2.2357 2.3430 2.3443 2.3855 2.3855 2.9157 2.9157 2.9351 2.9444 2.9911 2.9911 3.2661 3.2661 3.3993 3.4017 3.4017 3.4255 3.7196 3.7196 3.7369 3.7374 4.2126 4.2126 4.2708 4.3973 4.3989 4.3989 4.4696 4.4696 4.5312 4.5312 4.5709 4.6126 4.8221 4.8221 4.8646 4.9522 4.9522 4.9555 5.0968 5.0968 5.7663 5.7663 6.0136 6.0167 6.0925 6.0925 8.1854 8.1854 8.2882 8.3648 8.3648 8.4052 8.6267 8.6687 8.6687 8.7781 8.9308 8.9308 12.1362 12.1362 k = 0.1100 0.1100 0.1100 ( 5938 PWs) bands (ev): -61.6926 -61.6926 -34.6060 -34.6060 -25.9531 -25.9531 -25.9531 -25.9531 -7.0914 -7.0914 -6.1499 -6.1499 -6.0533 -6.0533 -6.0531 -6.0506 0.8069 0.8122 0.8122 0.8229 1.2722 1.2722 2.2148 2.2148 2.3464 2.3477 2.3876 2.3876 2.8993 2.8993 2.9178 2.9267 2.9844 2.9844 3.2503 3.2503 3.3874 3.3874 3.3906 3.4179 3.7366 3.7366 3.7554 3.7568 4.2074 4.2074 4.2550 4.3885 4.3919 4.3919 4.4629 4.4629 4.5308 4.5308 4.5812 4.6206 4.8239 4.8239 4.8521 4.9482 4.9482 4.9506 5.1206 5.1206 5.7164 5.7164 6.0062 6.0101 6.0845 6.0845 8.1928 8.1928 8.2956 8.3821 8.3821 8.4206 8.6418 8.6874 8.6874 8.8041 9.0055 9.0055 12.1257 12.1257 k = 0.1200 0.1200 0.1200 ( 5959 PWs) bands (ev): -61.6926 -61.6926 -34.6061 -34.6061 -25.9532 -25.9532 -25.9532 -25.9532 -7.0774 -7.0774 -6.1551 -6.1551 -6.0589 -6.0589 -6.0585 -6.0559 0.8262 0.8316 0.8316 0.8436 1.2906 1.2906 2.1919 2.1919 2.3500 2.3513 2.3901 2.3901 2.8817 2.8817 2.8996 2.9079 2.9773 2.9773 3.2330 3.2330 3.3729 3.3729 3.3822 3.4104 3.7533 3.7533 3.7733 3.7768 4.2022 4.2022 4.2393 4.3798 4.3836 4.3836 4.4569 4.4569 4.5309 4.5309 4.5909 4.6280 4.8257 4.8257 4.8406 4.9443 4.9443 4.9463 5.1461 5.1461 5.6651 5.6651 5.9981 6.0026 6.0759 6.0759 8.2025 8.2025 8.3029 8.3991 8.3991 8.4344 8.6598 8.7079 8.7079 8.8312 9.0809 9.0809 12.1141 12.1141 k = 0.1300 0.1300 0.1300 ( 5953 PWs) bands (ev): -61.6926 -61.6926 -34.6061 -34.6061 -25.9533 -25.9533 -25.9532 -25.9532 -7.0624 -7.0624 -6.1607 -6.1607 -6.0648 -6.0648 -6.0642 -6.0615 0.8467 0.8521 0.8521 0.8655 1.3099 1.3099 2.1674 2.1674 2.3540 2.3551 2.3930 2.3930 2.8632 2.8632 2.8807 2.8882 2.9699 2.9699 3.2143 3.2143 3.3585 3.3585 3.3741 3.4029 3.7699 3.7699 3.7909 3.7971 4.1972 4.1972 4.2242 4.3716 4.3743 4.3743 4.4515 4.4515 4.5318 4.5318 4.6000 4.6350 4.8275 4.8275 4.8307 4.9408 4.9408 4.9427 5.1734 5.1734 5.6132 5.6132 5.9892 5.9945 6.0668 6.0668 8.2142 8.2142 8.3100 8.4157 8.4157 8.4464 8.6807 8.7303 8.7303 8.8593 9.1563 9.1563 12.1014 12.1014 k = 0.1400 0.1400 0.1400 ( 5956 PWs) bands (ev): -61.6926 -61.6926 -34.6061 -34.6061 -25.9533 -25.9533 -25.9533 -25.9533 -7.0464 -7.0464 -6.1665 -6.1665 -6.0711 -6.0711 -6.0703 -6.0674 0.8683 0.8736 0.8736 0.8885 1.3301 1.3301 2.1412 2.1412 2.3582 2.3591 2.3961 2.3961 2.8439 2.8439 2.8612 2.8679 2.9623 2.9623 3.1939 3.1939 3.3444 3.3444 3.3661 3.3954 3.7860 3.7860 3.8082 3.8174 4.1925 4.1925 4.2097 4.3639 4.3643 4.3643 4.4466 4.4466 4.5332 4.5332 4.6081 4.6414 4.8224 4.8294 4.8294 4.9373 4.9373 4.9400 5.2021 5.2021 5.5610 5.5610 5.9796 5.9857 6.0571 6.0571 8.2276 8.2276 8.3166 8.4320 8.4320 8.4566 8.7040 8.7546 8.7546 8.8884 9.2308 9.2308 12.0873 12.0873 k = 0.1500 0.1500 0.1500 ( 5947 PWs) bands (ev): -61.6926 -61.6926 -34.6061 -34.6061 -25.9534 -25.9534 -25.9534 -25.9534 -7.0294 -7.0294 -6.1727 -6.1727 -6.0776 -6.0776 -6.0767 -6.0736 0.8908 0.8959 0.8959 0.9124 1.3508 1.3508 2.1138 2.1138 2.3628 2.3634 2.3995 2.3995 2.8241 2.8241 2.8414 2.8471 2.9545 2.9545 3.1718 3.1718 3.3308 3.3308 3.3583 3.3878 3.8017 3.8017 3.8250 3.8376 4.1883 4.1883 4.1959 4.3541 4.3541 4.3570 4.4423 4.4423 4.5353 4.5353 4.6150 4.6472 4.8163 4.8314 4.8314 4.9339 4.9339 4.9383 5.2322 5.2322 5.5091 5.5091 5.9694 5.9762 6.0468 6.0468 8.2424 8.2424 8.3226 8.4481 8.4481 8.4651 8.7294 8.7807 8.7807 8.9181 9.3038 9.3038 12.0718 12.0718 k = 0.1600 0.1600 0.1600 ( 5953 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9535 -25.9535 -25.9535 -25.9535 -7.0115 -7.0115 -6.1790 -6.1790 -6.0844 -6.0844 -6.0833 -6.0801 0.9140 0.9188 0.9188 0.9370 1.3720 1.3720 2.0849 2.0849 2.3676 2.3679 2.4030 2.4030 2.8040 2.8040 2.8213 2.8261 2.9465 2.9465 3.1481 3.1481 3.3177 3.3177 3.3504 3.3800 3.8166 3.8166 3.8412 3.8574 4.1833 4.1844 4.1844 4.3439 4.3439 4.3509 4.4382 4.4382 4.5379 4.5379 4.6205 4.6524 4.8126 4.8336 4.8336 4.9305 4.9305 4.9376 5.2636 5.2636 5.4576 5.4576 5.9586 5.9662 6.0361 6.0361 8.2581 8.2581 8.3281 8.4642 8.4642 8.4720 8.7565 8.8083 8.8083 8.9483 9.3748 9.3748 12.0552 12.0552 k = 0.1700 0.1700 0.1700 ( 5953 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9536 -25.9536 -25.9536 -25.9536 -6.9928 -6.9928 -6.1856 -6.1856 -6.0914 -6.0914 -6.0901 -6.0868 0.9379 0.9422 0.9422 0.9622 1.3932 1.3932 2.0552 2.0552 2.3725 2.3727 2.4067 2.4067 2.7839 2.7839 2.8012 2.8051 2.9383 2.9383 3.1231 3.1231 3.3051 3.3051 3.3424 3.3720 3.8307 3.8307 3.8568 3.8768 4.1719 4.1812 4.1812 4.3341 4.3341 4.3458 4.4344 4.4344 4.5410 4.5410 4.6244 4.6569 4.8113 4.8360 4.8360 4.9269 4.9269 4.9381 5.2960 5.2960 5.4071 5.4071 5.9474 5.9558 6.0251 6.0251 8.2743 8.2743 8.3328 8.4776 8.4809 8.4809 8.7849 8.8372 8.8372 8.9788 9.4433 9.4433 12.0379 12.0379 k = 0.1800 0.1800 0.1800 ( 5965 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9537 -25.9537 -25.9537 -25.9537 -6.9733 -6.9733 -6.1924 -6.1924 -6.0986 -6.0986 -6.0971 -6.0937 0.9621 0.9658 0.9658 0.9878 1.4143 1.4143 2.0247 2.0247 2.3773 2.3780 2.4105 2.4105 2.7641 2.7641 2.7814 2.7843 2.9300 2.9300 3.0968 3.0968 3.2930 3.2930 3.3343 3.3637 3.8440 3.8440 3.8718 3.8953 4.1621 4.1784 4.1784 4.3249 4.3249 4.3418 4.4308 4.4308 4.5446 4.5446 4.6266 4.6608 4.8126 4.8384 4.8384 4.9231 4.9231 4.9397 5.3291 5.3291 5.3582 5.3582 5.9359 5.9450 6.0137 6.0137 8.2905 8.2905 8.3367 8.4819 8.4984 8.4984 8.8143 8.8671 8.8671 9.0095 9.5087 9.5087 12.0201 12.0201 k = 0.1900 0.1900 0.1900 ( 5959 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9538 -25.9538 -25.9537 -25.9537 -6.9530 -6.9530 -6.1993 -6.1993 -6.1059 -6.1059 -6.1042 -6.1007 0.9866 0.9895 0.9895 1.0135 1.4348 1.4348 1.9937 1.9937 2.3822 2.3835 2.4143 2.4143 2.7449 2.7449 2.7619 2.7640 2.9216 2.9216 3.0697 3.0697 3.2814 3.2814 3.3260 3.3551 3.8564 3.8564 3.8861 3.9129 4.1542 4.1763 4.1763 4.3165 4.3165 4.3391 4.4275 4.4275 4.5485 4.5485 4.6272 4.6642 4.8164 4.8408 4.8408 4.9190 4.9190 4.9424 5.3094 5.3094 5.3645 5.3645 5.9242 5.9340 6.0023 6.0023 8.3059 8.3059 8.3400 8.4851 8.5174 8.5174 8.8443 8.8979 8.8979 9.0402 9.5709 9.5709 11.9987 12.0020 k = 0.2000 0.2000 0.2000 ( 5953 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9538 -25.9538 -25.9538 -25.9538 -6.9321 -6.9321 -6.2064 -6.2064 -6.1134 -6.1134 -6.1115 -6.1079 1.0111 1.0130 1.0130 1.0392 1.4544 1.4544 1.9624 1.9624 2.3872 2.3892 2.4181 2.4181 2.7266 2.7266 2.7431 2.7445 2.9130 2.9130 3.0423 3.0423 3.2701 3.2701 3.3175 3.3462 3.8678 3.8678 3.8997 3.9292 4.1485 4.1748 4.1748 4.3091 4.3091 4.3375 4.4243 4.4243 4.5528 4.5528 4.6263 4.6669 4.8224 4.8429 4.8429 4.9146 4.9146 4.9460 5.2635 5.2635 5.3996 5.3996 5.9126 5.9230 5.9908 5.9908 8.3203 8.3203 8.3424 8.4873 8.5382 8.5382 8.8747 8.9292 8.9292 9.0708 9.6296 9.6296 11.9669 11.9749 k = 0.2100 0.2100 0.2100 ( 5950 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9539 -25.9539 -25.9539 -25.9539 -6.9106 -6.9106 -6.2136 -6.2136 -6.1209 -6.1209 -6.1189 -6.1153 1.0354 1.0361 1.0361 1.0647 1.4726 1.4726 1.9313 1.9313 2.3922 2.3951 2.4218 2.4218 2.7096 2.7096 2.7253 2.7261 2.9043 2.9043 3.0148 3.0148 3.2591 3.2591 3.3086 3.3369 3.8783 3.8783 3.9127 3.9438 4.1453 4.1737 4.1737 4.3027 4.3027 4.3372 4.4213 4.4213 4.5573 4.5573 4.6241 4.6691 4.8302 4.8445 4.8445 4.9100 4.9100 4.9505 5.2196 5.2196 5.4355 5.4355 5.9013 5.9121 5.9796 5.9796 8.3330 8.3330 8.3441 8.4885 8.5611 8.5611 8.9054 8.9608 8.9608 9.1012 9.6847 9.6847 11.9313 11.9416 k = 0.2200 0.2200 0.2200 ( 5950 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9540 -25.9540 -25.9540 -25.9540 -6.8886 -6.8886 -6.2208 -6.2208 -6.1285 -6.1285 -6.1263 -6.1227 1.0587 1.0587 1.0593 1.0897 1.4888 1.4888 1.9007 1.9007 2.3972 2.4010 2.4254 2.4254 2.6940 2.6940 2.7085 2.7089 2.8955 2.8955 2.9879 2.9879 3.2483 3.2483 3.2995 3.3273 3.8880 3.8880 3.9251 3.9567 4.1447 4.1731 4.1731 4.2974 4.2974 4.3380 4.4185 4.4185 4.5620 4.5620 4.6210 4.6707 4.8394 4.8448 4.8448 4.9054 4.9054 4.9557 5.1782 5.1782 5.4720 5.4720 5.8904 5.9017 5.9688 5.9688 8.3440 8.3440 8.3451 8.4888 8.5863 8.5863 8.9362 8.9925 8.9925 9.1312 9.7362 9.7362 11.8914 11.9043 k = 0.2300 0.2300 0.2300 ( 5944 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9541 -25.9541 -25.9541 -25.9541 -6.8661 -6.8661 -6.2280 -6.2280 -6.1361 -6.1361 -6.1338 -6.1301 1.0803 1.0803 1.0827 1.1140 1.5023 1.5023 1.8710 1.8710 2.4022 2.4071 2.4288 2.4288 2.6802 2.6802 2.6931 2.6933 2.8864 2.8864 2.9621 2.9621 3.2376 3.2376 3.2901 3.3173 3.8969 3.8969 3.9370 3.9677 4.1468 4.1729 4.1729 4.2931 4.2931 4.3399 4.4159 4.4159 4.5667 4.5667 4.6171 4.6719 4.8429 4.8429 4.8496 4.9013 4.9013 4.9615 5.1397 5.1397 5.5089 5.5089 5.8802 5.8919 5.9586 5.9586 8.3453 8.3530 8.3530 8.4883 8.6137 8.6137 8.9668 9.0241 9.0241 9.1606 9.7843 9.7843 11.8473 11.8628 k = 0.2400 0.2400 0.2400 ( 5950 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9542 -25.9542 -25.9542 -25.9542 -6.8433 -6.8433 -6.2353 -6.2353 -6.1437 -6.1437 -6.1412 -6.1376 1.1010 1.1010 1.1052 1.1374 1.5126 1.5126 1.8429 1.8429 2.4071 2.4131 2.4319 2.4319 2.6684 2.6684 2.6792 2.6795 2.8770 2.8770 2.9381 2.9381 3.2270 3.2270 3.2803 3.3069 3.9050 3.9050 3.9486 3.9769 4.1515 4.1730 4.1730 4.2898 4.2898 4.3427 4.4134 4.4134 4.5714 4.5714 4.6124 4.6725 4.8380 4.8380 4.8605 4.8983 4.8983 4.9675 5.1046 5.1046 5.5462 5.5462 5.8711 5.8829 5.9493 5.9493 8.3449 8.3603 8.3603 8.4870 8.6430 8.6430 8.9971 9.0552 9.0552 9.1893 9.8291 9.8291 11.7988 11.8168 k = 0.2500 0.2500 0.2500 ( 5950 PWs) bands (ev): -61.6926 -61.6926 -34.6064 -34.6064 -25.9543 -25.9543 -25.9543 -25.9543 -6.8202 -6.8202 -6.2426 -6.2426 -6.1512 -6.1512 -6.1487 -6.1450 1.1203 1.1203 1.1268 1.1597 1.5188 1.5188 1.8168 1.8168 2.4119 2.4192 2.4349 2.4349 2.6589 2.6589 2.6672 2.6676 2.8669 2.8669 2.9165 2.9165 3.2164 3.2164 3.2702 3.2962 3.9126 3.9126 3.9600 3.9845 4.1586 4.1732 4.1732 4.2875 4.2875 4.3463 4.4110 4.4110 4.5760 4.5760 4.6073 4.6727 4.8292 4.8292 4.8715 4.8964 4.8964 4.9736 5.0733 5.0733 5.5837 5.5837 5.8633 5.8752 5.9411 5.9411 8.3440 8.3658 8.3658 8.4849 8.6739 8.6739 9.0270 9.0859 9.0859 9.2172 9.8711 9.8711 11.7459 11.7664 k = 0.2600 0.2600 0.2600 ( 5941 PWs) bands (ev): -61.6926 -61.6926 -34.6064 -34.6064 -25.9544 -25.9544 -25.9544 -25.9544 -6.7969 -6.7969 -6.2498 -6.2498 -6.1587 -6.1587 -6.1561 -6.1524 1.1382 1.1382 1.1472 1.1806 1.5203 1.5203 1.7931 1.7931 2.4167 2.4252 2.4377 2.4377 2.6518 2.6518 2.6571 2.6578 2.8562 2.8562 2.8981 2.8981 3.2059 3.2059 3.2598 3.2852 3.9198 3.9198 3.9712 3.9909 4.1675 4.1737 4.1737 4.2859 4.2859 4.3506 4.4088 4.4088 4.5803 4.5803 4.6018 4.6724 4.8166 4.8166 4.8825 4.8951 4.8951 4.9795 5.0465 5.0465 5.6212 5.6212 5.8571 5.8690 5.9343 5.9343 8.3426 8.3700 8.3700 8.4823 8.7060 8.7060 9.0564 9.1157 9.1157 9.2442 9.9106 9.9106 11.6886 11.7115 k = 0.2700 0.2700 0.2700 ( 5941 PWs) bands (ev): -61.6926 -61.6926 -34.6064 -34.6064 -25.9545 -25.9545 -25.9545 -25.9545 -6.7734 -6.7734 -6.2569 -6.2569 -6.1660 -6.1660 -6.1633 -6.1597 1.1545 1.1545 1.1662 1.2000 1.5167 1.5167 1.7722 1.7722 2.4215 2.4311 2.4405 2.4405 2.6469 2.6469 2.6491 2.6503 2.8448 2.8448 2.8831 2.8831 3.1953 3.1953 3.2492 3.2739 3.9266 3.9266 3.9825 3.9967 4.1744 4.1744 4.1777 4.2849 4.2849 4.3553 4.4067 4.4067 4.5842 4.5842 4.5959 4.6717 4.8007 4.8007 4.8929 4.8936 4.8936 4.9849 5.0242 5.0242 5.6587 5.6587 5.8528 5.8646 5.9293 5.9293 8.3407 8.3729 8.3729 8.4790 8.7389 8.7389 9.0849 9.1445 9.1445 9.2699 9.9480 9.9480 11.6273 11.6524 k = 0.2800 0.2800 0.2800 ( 5947 PWs) bands (ev): -61.6926 -61.6926 -34.6064 -34.6064 -25.9546 -25.9546 -25.9546 -25.9546 -6.7500 -6.7500 -6.2640 -6.2640 -6.1733 -6.1733 -6.1705 -6.1670 1.1690 1.1690 1.1837 1.2177 1.5080 1.5080 1.7538 1.7538 2.4264 2.4371 2.4435 2.4435 2.6432 2.6445 2.6445 2.6449 2.8336 2.8336 2.8712 2.8712 3.1848 3.1848 3.2383 3.2624 3.9332 3.9332 3.9939 4.0021 4.1751 4.1751 4.1888 4.2844 4.2844 4.3603 4.4046 4.4046 4.5876 4.5876 4.5896 4.6704 4.7823 4.7823 4.8909 4.8909 4.9024 4.9894 5.0066 5.0066 5.6960 5.6960 5.8508 5.8623 5.9262 5.9262 8.3386 8.3748 8.3748 8.4752 8.7720 8.7720 9.1125 9.1720 9.1720 9.2942 9.9838 9.9838 11.5623 11.5892 k = 0.2900 0.2900 0.2900 ( 5950 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9547 -25.9547 -25.9547 -25.9547 -6.7266 -6.7266 -6.2709 -6.2709 -6.1803 -6.1803 -6.1776 -6.1741 1.1816 1.1816 1.1997 1.2336 1.4948 1.4948 1.7373 1.7373 2.4316 2.4431 2.4467 2.4467 2.6395 2.6418 2.6441 2.6441 2.8235 2.8235 2.8617 2.8617 3.1743 3.1743 3.2272 3.2507 3.9396 3.9396 4.0055 4.0077 4.1761 4.1761 4.2003 4.2842 4.2842 4.3655 4.4027 4.4027 4.5830 4.5903 4.5903 4.6688 4.7623 4.7623 4.8863 4.8863 4.9106 4.9927 4.9935 4.9935 5.7329 5.7329 5.8514 5.8625 5.9255 5.9255 8.3363 8.3759 8.3759 8.4710 8.8052 8.8052 9.1389 9.1980 9.1980 9.3168 10.0183 10.0183 11.4940 11.5226 k = 0.3000 0.3000 0.3000 ( 5950 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9548 -25.9548 -25.9548 -25.9548 -6.7034 -6.7034 -6.2777 -6.2777 -6.1872 -6.1872 -6.1844 -6.1810 1.1923 1.1923 1.2140 1.2476 1.4780 1.4780 1.7217 1.7217 2.4371 2.4492 2.4505 2.4505 2.6379 2.6407 2.6458 2.6458 2.8153 2.8153 2.8541 2.8541 3.1639 3.1639 3.2159 3.2388 3.9459 3.9459 4.0135 4.0174 4.1772 4.1772 4.2121 4.2842 4.2842 4.3709 4.4008 4.4008 4.5761 4.5922 4.5922 4.6667 4.7417 4.7417 4.8795 4.8795 4.9173 4.9839 4.9839 4.9946 5.7693 5.7693 5.8547 5.8654 5.9275 5.9275 8.3338 8.3764 8.3764 8.4665 8.8379 8.8379 9.1639 9.2222 9.2222 9.3376 10.0520 10.0520 11.4232 11.4531 k = 0.3100 0.3100 0.3100 ( 5950 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9549 -25.9549 -25.9549 -25.9549 -6.6805 -6.6805 -6.2843 -6.2843 -6.1938 -6.1938 -6.1911 -6.1878 1.2010 1.2010 1.2265 1.2596 1.4587 1.4587 1.7062 1.7062 2.4431 2.4551 2.4551 2.4555 2.6383 2.6415 2.6492 2.6492 2.8095 2.8095 2.8482 2.8482 3.1535 3.1535 3.2046 3.2268 3.9522 3.9522 4.0199 4.0297 4.1786 4.1786 4.2237 4.2843 4.2843 4.3762 4.3988 4.3988 4.5690 4.5930 4.5930 4.6641 4.7214 4.7214 4.8707 4.8707 4.9221 4.9769 4.9769 4.9948 5.8049 5.8049 5.8610 5.8712 5.9323 5.9323 8.3315 8.3764 8.3764 8.4618 8.8700 8.8700 9.1872 9.2443 9.2443 9.3562 10.0852 10.0852 11.3504 11.3814 k = 0.3200 0.3200 0.3200 ( 5956 PWs) bands (ev): -61.6926 -61.6926 -34.6066 -34.6066 -25.9550 -25.9550 -25.9550 -25.9550 -6.6580 -6.6580 -6.2907 -6.2907 -6.2003 -6.2003 -6.1976 -6.1944 1.2077 1.2077 1.2373 1.2697 1.4380 1.4380 1.6900 1.6900 2.4496 2.4604 2.4604 2.4621 2.6405 2.6439 2.6540 2.6540 2.8059 2.8059 2.8440 2.8440 3.1431 3.1431 3.1931 3.2147 3.9584 3.9584 4.0270 4.0424 4.1802 4.1802 4.2350 4.2844 4.2844 4.3813 4.3968 4.3968 4.5617 4.5925 4.5925 4.6611 4.7024 4.7024 4.8603 4.8603 4.9251 4.9713 4.9713 4.9931 5.8394 5.8394 5.8705 5.8800 5.9403 5.9403 8.3292 8.3761 8.3761 8.4569 8.9010 8.9010 9.2084 9.2641 9.2641 9.3723 10.1182 10.1182 11.2766 11.3086 k = 0.3300 0.3300 0.3300 ( 5956 PWs) bands (ev): -61.6926 -61.6926 -34.6066 -34.6066 -25.9551 -25.9551 -25.9551 -25.9550 -6.6358 -6.6358 -6.2970 -6.2970 -6.2064 -6.2064 -6.2038 -6.2007 1.2126 1.2126 1.2464 1.2779 1.4167 1.4167 1.6725 1.6725 2.4569 2.4666 2.4666 2.4691 2.6444 2.6479 2.6601 2.6601 2.8037 2.8037 2.8422 2.8422 3.1329 3.1329 3.1817 3.2026 3.9645 3.9645 4.0349 4.0556 4.1822 4.1822 4.2460 4.2843 4.2843 4.3862 4.3947 4.3947 4.5541 4.5904 4.5904 4.6577 4.6855 4.6855 4.8486 4.8486 4.9259 4.9661 4.9661 4.9894 5.8726 5.8726 5.8830 5.8919 5.9517 5.9517 8.3272 8.3756 8.3756 8.4520 8.9309 8.9309 9.2274 9.2812 9.2812 9.3856 10.1511 10.1511 11.2027 11.2353 k = 0.3400 0.3400 0.3400 ( 5956 PWs) bands (ev): -61.6926 -61.6926 -34.6066 -34.6066 -25.9551 -25.9551 -25.9551 -25.9551 -6.6143 -6.6143 -6.3030 -6.3030 -6.2123 -6.2123 -6.2098 -6.2068 1.2156 1.2156 1.2538 1.2842 1.3955 1.3955 1.6535 1.6535 2.4648 2.4736 2.4736 2.4764 2.6496 2.6531 2.6671 2.6671 2.8020 2.8020 2.8436 2.8436 3.1228 3.1228 3.1703 3.1906 3.9705 3.9705 4.0435 4.0692 4.1844 4.1844 4.2565 4.2841 4.2841 4.3909 4.3924 4.3924 4.5464 4.5865 4.5865 4.6538 4.6715 4.6715 4.8361 4.8361 4.9247 4.9606 4.9606 4.9837 5.8984 5.9041 5.9041 5.9067 5.9667 5.9667 8.3256 8.3751 8.3751 8.4471 8.9594 8.9594 9.2438 9.2954 9.2954 9.3958 10.1840 10.1840 11.1296 11.1627 k = 0.3500 0.3500 0.3500 ( 5962 PWs) bands (ev): -61.6926 -61.6926 -34.6066 -34.6066 -25.9552 -25.9552 -25.9552 -25.9552 -6.5934 -6.5934 -6.3088 -6.3088 -6.2179 -6.2179 -6.2155 -6.2127 1.2169 1.2169 1.2598 1.2888 1.3750 1.3750 1.6330 1.6330 2.4734 2.4814 2.4814 2.4842 2.6558 2.6593 2.6748 2.6748 2.8000 2.8000 2.8485 2.8485 3.1130 3.1130 3.1590 3.1786 3.9763 3.9763 4.0530 4.0833 4.1870 4.1870 4.2664 4.2837 4.2837 4.3899 4.3899 4.3951 4.5387 4.5806 4.5806 4.6496 4.6607 4.6607 4.8229 4.8229 4.9214 4.9544 4.9544 4.9760 5.9166 5.9242 5.9334 5.9334 5.9855 5.9855 8.3245 8.3746 8.3746 8.4424 8.9863 8.9863 9.2572 9.3063 9.3063 9.4025 10.2170 10.2170 11.0582 11.0917 k = 0.3600 0.3600 0.3600 ( 5950 PWs) bands (ev): -61.6926 -61.6926 -34.6066 -34.6066 -25.9553 -25.9553 -25.9553 -25.9553 -6.5733 -6.5733 -6.3144 -6.3144 -6.2231 -6.2231 -6.2210 -6.2182 1.2165 1.2165 1.2643 1.2918 1.3557 1.3557 1.6111 1.6111 2.4826 2.4899 2.4899 2.4924 2.6629 2.6662 2.6830 2.6830 2.7976 2.7976 2.8567 2.8567 3.1034 3.1034 3.1479 3.1668 3.9819 3.9819 4.0634 4.0979 4.1901 4.1901 4.2758 4.2831 4.2831 4.3872 4.3872 4.3989 4.5309 4.5734 4.5734 4.6450 4.6531 4.6531 4.8094 4.8094 4.9163 4.9470 4.9470 4.9664 5.9373 5.9442 5.9606 5.9606 6.0075 6.0075 8.3241 8.3743 8.3743 8.4380 9.0117 9.0117 9.2674 9.3138 9.3138 9.4056 10.2501 10.2501 10.9895 11.0233 k = 0.3700 0.3700 0.3700 ( 5950 PWs) bands (ev): -61.6926 -61.6926 -34.6067 -34.6067 -25.9554 -25.9554 -25.9553 -25.9553 -6.5540 -6.5540 -6.3198 -6.3198 -6.2281 -6.2281 -6.2261 -6.2235 1.2147 1.2147 1.2676 1.2935 1.3380 1.3380 1.5880 1.5880 2.4923 2.4989 2.4989 2.5009 2.6706 2.6737 2.6914 2.6914 2.7950 2.7950 2.8675 2.8675 3.0941 3.0941 3.1371 3.1553 3.9872 3.9872 4.0746 4.1128 4.1935 4.1935 4.2822 4.2822 4.2846 4.3841 4.3841 4.4020 4.5233 4.5655 4.5655 4.6400 4.6480 4.6480 4.7955 4.7955 4.9096 4.9385 4.9385 4.9553 5.9600 5.9663 5.9863 5.9863 6.0319 6.0319 8.3243 8.3742 8.3742 8.4339 9.0353 9.0353 9.2742 9.3175 9.3175 9.4047 10.2831 10.2831 10.9243 10.9582 k = 0.3800 0.3800 0.3800 ( 5944 PWs) bands (ev): -61.6926 -61.6926 -34.6067 -34.6067 -25.9554 -25.9554 -25.9554 -25.9554 -6.5356 -6.5356 -6.3248 -6.3248 -6.2327 -6.2327 -6.2309 -6.2284 1.2116 1.2116 1.2699 1.2940 1.3221 1.3221 1.5642 1.5642 2.5023 2.5083 2.5083 2.5097 2.6788 2.6816 2.7000 2.7000 2.7924 2.7924 2.8802 2.8802 3.0853 3.0853 3.1265 3.1440 3.9920 3.9920 4.0867 4.1280 4.1974 4.1974 4.2811 4.2811 4.2927 4.3807 4.3807 4.4044 4.5161 4.5578 4.5578 4.6346 4.6447 4.6447 4.7815 4.7815 4.9014 4.9288 4.9288 4.9427 5.9843 5.9899 6.0112 6.0112 6.0573 6.0573 8.3254 8.3745 8.3745 8.4302 9.0573 9.0573 9.2773 9.3176 9.3176 9.3997 10.3158 10.3158 10.8635 10.8974 k = 0.3900 0.3900 0.3900 ( 5950 PWs) bands (ev): -61.6926 -61.6926 -34.6067 -34.6067 -25.9555 -25.9555 -25.9555 -25.9555 -6.5182 -6.5182 -6.3297 -6.3297 -6.2369 -6.2369 -6.2353 -6.2330 1.2073 1.2073 1.2712 1.2934 1.3083 1.3083 1.5399 1.5399 2.5125 2.5178 2.5178 2.5187 2.6871 2.6897 2.7083 2.7083 2.7900 2.7900 2.8940 2.8940 3.0771 3.0771 3.1164 3.1330 3.9963 3.9963 4.0994 4.1434 4.2017 4.2017 4.2797 4.2797 4.3001 4.3771 4.3771 4.4056 4.5095 4.5510 4.5510 4.6288 4.6427 4.6427 4.7676 4.7676 4.8922 4.9180 4.9180 4.9290 6.0096 6.0147 6.0356 6.0356 6.0827 6.0827 8.3273 8.3752 8.3752 8.4270 9.0775 9.0775 9.2768 9.3139 9.3139 9.3907 10.3481 10.3481 10.8078 10.8413 k = 0.4000 0.4000 0.4000 ( 5968 PWs) bands (ev): -61.6926 -61.6926 -34.6067 -34.6067 -25.9556 -25.9556 -25.9556 -25.9556 -6.5019 -6.5019 -6.3342 -6.3342 -6.2408 -6.2408 -6.2394 -6.2373 1.2022 1.2022 1.2718 1.2921 1.2967 1.2967 1.5156 1.5156 2.5226 2.5272 2.5272 2.5276 2.6953 2.6976 2.7162 2.7162 2.7881 2.7881 2.9082 2.9082 3.0696 3.0696 3.1068 3.1224 4.0000 4.0000 4.1129 4.1588 4.2065 4.2065 4.2781 4.2781 4.3069 4.3732 4.3732 4.4056 4.5039 4.5453 4.5453 4.6225 4.6416 4.6416 4.7538 4.7538 4.8823 4.9064 4.9064 4.9146 6.0354 6.0399 6.0597 6.0597 6.1073 6.1073 8.3302 8.3762 8.3762 8.4242 9.0959 9.0959 9.2728 9.3066 9.3066 9.3779 10.3797 10.3797 10.7577 10.7905 k = 0.4100 0.4100 0.4100 ( 5962 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9556 -25.9556 -25.9556 -25.9556 -6.4868 -6.4868 -6.3385 -6.3385 -6.2443 -6.2443 -6.2431 -6.2412 1.1965 1.1965 1.2718 1.2872 1.2872 1.2902 1.4915 1.4915 2.5326 2.5365 2.5365 2.5365 2.7034 2.7054 2.7234 2.7234 2.7870 2.7870 2.9221 2.9221 3.0630 3.0630 3.0977 3.1123 4.0031 4.0031 4.1270 4.1742 4.2117 4.2117 4.2765 4.2765 4.3130 4.3692 4.3692 4.4040 4.4996 4.5410 4.5410 4.6159 4.6413 4.6413 4.7404 4.7404 4.8719 4.8941 4.8941 4.8999 6.0612 6.0652 6.0833 6.0833 6.1308 6.1308 8.3341 8.3778 8.3778 8.4218 9.1126 9.1126 9.2656 9.2962 9.2962 9.3616 10.4103 10.4103 10.7135 10.7453 k = 0.4200 0.4200 0.4200 ( 5950 PWs) bands (ev): -61.6926 -61.6926 -34.6067 -34.6067 -25.9557 -25.9557 -25.9556 -25.9556 -6.4729 -6.4729 -6.3426 -6.3426 -6.2474 -6.2474 -6.2465 -6.2448 1.1905 1.1905 1.2715 1.2798 1.2798 1.2879 1.4681 1.4681 2.5421 2.5451 2.5454 2.5454 2.7111 2.7129 2.7296 2.7296 2.7868 2.7868 2.9351 2.9351 3.0577 3.0577 3.0894 3.1029 4.0056 4.0056 4.1416 4.1892 4.2172 4.2172 4.2749 4.2749 4.3184 4.3653 4.3653 4.4006 4.4970 4.5379 4.5379 4.6087 4.6416 4.6416 4.7275 4.7275 4.8616 4.8816 4.8816 4.8853 6.0863 6.0898 6.1058 6.1058 6.1529 6.1529 8.3390 8.3797 8.3797 8.4198 9.1276 9.1276 9.2559 9.2833 9.2833 9.3424 10.4395 10.4395 10.6754 10.7056 k = 0.4300 0.4300 0.4300 ( 5947 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9557 -25.9557 -25.9557 -25.9557 -6.4603 -6.4603 -6.3464 -6.3464 -6.2501 -6.2501 -6.2494 -6.2479 1.1847 1.1847 1.2710 1.2744 1.2744 1.2853 1.4457 1.4457 2.5511 2.5532 2.5537 2.5537 2.7183 2.7198 2.7346 2.7346 2.7875 2.7875 2.9464 2.9464 3.0539 3.0539 3.0818 3.0941 4.0075 4.0075 4.1565 4.2035 4.2228 4.2228 4.2733 4.2733 4.3231 4.3613 4.3613 4.3954 4.4963 4.5359 4.5359 4.6010 4.6423 4.6423 4.7154 4.7154 4.8515 4.8690 4.8690 4.8712 6.1102 6.1132 6.1268 6.1268 6.1733 6.1733 8.3448 8.3820 8.3820 8.4181 9.1407 9.1407 9.2444 9.2684 9.2684 9.3212 10.4668 10.4668 10.6433 10.6715 k = 0.4400 0.4400 0.4400 ( 5941 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9557 -25.9557 -25.9557 -25.9557 -6.4490 -6.4490 -6.3499 -6.3499 -6.2525 -6.2525 -6.2520 -6.2507 1.1792 1.1792 1.2703 1.2707 1.2707 1.2827 1.4247 1.4247 2.5593 2.5607 2.5612 2.5612 2.7247 2.7260 2.7383 2.7383 2.7891 2.7891 2.9555 2.9555 3.0518 3.0518 3.0752 3.0860 4.0088 4.0088 4.1716 4.2169 4.2283 4.2283 4.2720 4.2720 4.3271 4.3574 4.3574 4.3885 4.4974 4.5349 4.5349 4.5928 4.6435 4.6435 4.7041 4.7041 4.8421 4.8568 4.8568 4.8579 6.1323 6.1348 6.1458 6.1458 6.1919 6.1919 8.3514 8.3845 8.3845 8.4163 9.1521 9.1521 9.2320 9.2527 9.2527 9.2988 10.4919 10.4919 10.6170 10.6426 k = 0.4500 0.4500 0.4500 ( 5941 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9558 -25.9558 -25.9558 -25.9558 -6.4392 -6.4392 -6.3531 -6.3531 -6.2545 -6.2545 -6.2542 -6.2531 1.1744 1.1744 1.2685 1.2685 1.2698 1.2800 1.4054 1.4054 2.5665 2.5674 2.5679 2.5679 2.7304 2.7315 2.7409 2.7409 2.7914 2.7914 2.9621 2.9621 3.0515 3.0515 3.0696 3.0789 4.0096 4.0096 4.1867 4.2288 4.2335 4.2335 4.2710 4.2710 4.3304 4.3537 4.3537 4.3804 4.5004 4.5345 4.5345 4.5841 4.6451 4.6451 4.6940 4.6940 4.8335 4.8453 4.8453 4.8458 6.1520 6.1541 6.1624 6.1624 6.2083 6.2083 8.3586 8.3872 8.3872 8.4145 9.1615 9.1615 9.2198 9.2372 9.2372 9.2764 10.5139 10.5139 10.5962 10.6186 k = 0.4600 0.4600 0.4600 ( 5944 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9558 -25.9558 -25.9558 -25.9558 -6.4308 -6.4308 -6.3560 -6.3560 -6.2561 -6.2561 -6.2560 -6.2551 1.1703 1.1703 1.2678 1.2678 1.2693 1.2775 1.3883 1.3883 2.5727 2.5732 2.5736 2.5736 2.7352 2.7361 2.7425 2.7425 2.7940 2.7940 2.9664 2.9664 3.0527 3.0527 3.0650 3.0726 4.0100 4.0100 4.2014 4.2381 4.2381 4.2387 4.2705 4.2705 4.3331 4.3504 4.3504 4.3716 4.5050 4.5346 4.5346 4.5748 4.6468 4.6468 4.6853 4.6853 4.8262 4.8349 4.8349 4.8354 6.1690 6.1706 6.1762 6.1762 6.2224 6.2224 8.3662 8.3898 8.3898 8.4123 9.1689 9.1689 9.2090 9.2230 9.2230 9.2549 10.5322 10.5322 10.5805 10.5991 k = 0.4700 0.4700 0.4700 ( 5944 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9558 -25.9558 -25.9558 -25.9558 -6.4240 -6.4240 -6.3586 -6.3586 -6.2573 -6.2573 -6.2573 -6.2567 1.1671 1.1671 1.2681 1.2681 1.2691 1.2753 1.3739 1.3739 2.5776 2.5778 2.5781 2.5781 2.7390 2.7397 2.7434 2.7434 2.7964 2.7964 2.9687 2.9687 3.0547 3.0547 3.0616 3.0674 4.0102 4.0102 4.2154 4.2418 4.2418 4.2461 4.2705 4.2705 4.3354 4.3475 4.3475 4.3628 4.5110 4.5349 4.5349 4.5651 4.6488 4.6488 4.6780 4.6780 4.8204 4.8262 4.8262 4.8268 6.1827 6.1839 6.1871 6.1871 6.2338 6.2338 8.3740 8.3920 8.3920 8.4094 9.1741 9.1741 9.2006 9.2113 9.2113 9.2355 10.5460 10.5460 10.5694 10.5838 k = 0.4800 0.4800 0.4800 ( 5938 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9558 -25.9558 -25.9558 -25.9558 -6.4190 -6.4190 -6.3606 -6.3606 -6.2582 -6.2582 -6.2582 -6.2578 1.1647 1.1647 1.2691 1.2691 1.2692 1.2733 1.3627 1.3627 2.5812 2.5813 2.5814 2.5814 2.7418 2.7423 2.7439 2.7439 2.7984 2.7984 2.9698 2.9698 3.0568 3.0568 3.0594 3.0634 4.0103 4.0103 4.2281 4.2444 4.2444 4.2502 4.2709 4.2709 4.3375 4.3453 4.3453 4.3548 4.5183 4.5353 4.5353 4.5553 4.6506 4.6506 4.6725 4.6725 4.8163 4.8196 4.8196 4.8204 6.1928 6.1936 6.1950 6.1950 6.2422 6.2422 8.3817 8.3939 8.3939 8.4057 9.1767 9.1767 9.1957 9.2034 9.2034 9.2192 10.5547 10.5547 10.5626 10.5724 k = 0.4900 0.4900 0.4900 ( 5923 PWs) bands (ev): -61.6925 -61.6925 -34.6068 -34.6068 -25.9558 -25.9558 -25.9558 -25.9558 -6.4158 -6.4158 -6.3619 -6.3619 -6.2588 -6.2587 -6.2587 -6.2585 1.1634 1.1634 1.2696 1.2701 1.2701 1.2717 1.3555 1.3555 2.5834 2.5834 2.5835 2.5835 2.7436 2.7438 2.7442 2.7442 2.7998 2.7998 2.9703 2.9703 3.0583 3.0583 3.0585 3.0605 4.0104 4.0104 4.2387 4.2459 4.2459 4.2504 4.2713 4.2713 4.3399 4.3438 4.3438 4.3482 4.5266 4.5356 4.5356 4.5454 4.6520 4.6520 4.6689 4.6689 4.8141 4.8154 4.8154 4.8161 6.1990 6.1994 6.1997 6.1997 6.2474 6.2474 8.3889 8.3951 8.3951 8.4011 9.1772 9.1772 9.1948 9.1994 9.1994 9.2066 10.5591 10.5591 10.5596 10.5646 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -61.6925 -61.6925 -34.6067 -34.6067 -25.9558 -25.9558 -25.9558 -25.9558 -6.4147 -6.4147 -6.3623 -6.3623 -6.2589 -6.2589 -6.2589 -6.2589 1.1629 1.1629 1.2705 1.2705 1.2705 1.2705 1.3530 1.3530 2.5842 2.5842 2.5842 2.5842 2.7443 2.7443 2.7443 2.7443 2.8003 2.8003 2.9704 2.9704 3.0589 3.0589 3.0589 3.0589 4.0104 4.0104 4.2465 4.2465 4.2465 4.2465 4.2716 4.2716 4.3433 4.3433 4.3433 4.3433 4.5358 4.5358 4.5358 4.5358 4.6526 4.6526 4.6676 4.6676 4.8141 4.8141 4.8141 4.8141 6.2013 6.2013 6.2013 6.2013 6.2491 6.2491 8.3955 8.3955 8.3955 8.3955 9.1770 9.1770 9.1984 9.1984 9.1984 9.1984 10.5604 10.5604 10.5604 10.5604 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -61.6925 -61.6925 -34.6067 -34.6067 -25.9558 -25.9558 -25.9558 -25.9558 -6.4147 -6.4147 -6.3623 -6.3623 -6.2589 -6.2589 -6.2589 -6.2589 1.1629 1.1629 1.2705 1.2705 1.2705 1.2705 1.3530 1.3530 2.5842 2.5842 2.5842 2.5842 2.7443 2.7443 2.7443 2.7443 2.8003 2.8003 2.9704 2.9704 3.0589 3.0589 3.0589 3.0589 4.0104 4.0104 4.2465 4.2465 4.2465 4.2465 4.2716 4.2716 4.3433 4.3433 4.3433 4.3433 4.5358 4.5358 4.5358 4.5358 4.6526 4.6526 4.6676 4.6676 4.8141 4.8141 4.8141 4.8141 6.2013 6.2013 6.2013 6.2013 6.2491 6.2491 8.3955 8.3955 8.3955 8.3955 9.1770 9.1770 9.1984 9.1984 9.1984 9.1984 10.5604 10.5604 10.5604 10.5604 k = 0.4878 0.5000 0.4878 ( 5926 PWs) bands (ev): -61.6925 -61.6925 -34.6068 -34.6068 -25.9558 -25.9558 -25.9558 -25.9558 -6.4158 -6.4158 -6.3619 -6.3619 -6.2589 -6.2587 -6.2586 -6.2585 1.1633 1.1634 1.2694 1.2701 1.2703 1.2717 1.3555 1.3555 2.5834 2.5834 2.5835 2.5835 2.7435 2.7437 2.7442 2.7443 2.7997 2.7998 2.9702 2.9704 3.0580 3.0586 3.0587 3.0604 4.0104 4.0104 4.2390 4.2444 4.2472 4.2504 4.2713 4.2713 4.3400 4.3428 4.3448 4.3480 4.5269 4.5333 4.5380 4.5450 4.6520 4.6521 4.6688 4.6689 4.8141 4.8152 4.8155 4.8162 6.1989 6.1993 6.1998 6.2000 6.2474 6.2474 8.3891 8.3935 8.3966 8.4009 9.1769 9.1776 9.1948 9.1984 9.2006 9.2064 10.5586 10.5596 10.5600 10.5643 k = 0.4756 0.5000 0.4756 ( 5938 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9558 -25.9558 -25.9558 -25.9558 -6.4190 -6.4188 -6.3608 -6.3604 -6.2588 -6.2583 -6.2578 -6.2576 1.1647 1.1648 1.2677 1.2693 1.2702 1.2735 1.3625 1.3627 2.5812 2.5813 2.5814 2.5815 2.7415 2.7419 2.7442 2.7444 2.7984 2.7986 2.9693 2.9705 3.0558 3.0581 3.0594 3.0630 4.0103 4.0103 4.2286 4.2416 4.2459 4.2514 4.2708 4.2708 4.3374 4.3434 4.3470 4.3547 4.5188 4.5310 4.5398 4.5545 4.6506 4.6511 4.6719 4.6727 4.8160 4.8190 4.8193 4.8214 6.1923 6.1930 6.1954 6.1958 6.2422 6.2424 8.3819 8.3910 8.3967 8.4056 9.1748 9.1798 9.1954 9.2028 9.2031 9.2189 10.5545 10.5577 10.5618 10.5708 k = 0.4634 0.5000 0.4634 ( 5942 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9558 -25.9558 -25.9558 -25.9558 -6.4241 -6.4236 -6.3593 -6.3581 -6.2587 -6.2576 -6.2564 -6.2560 1.1669 1.1671 1.2657 1.2681 1.2711 1.2759 1.3733 1.3740 2.5776 2.5778 2.5782 2.5783 2.7382 2.7388 2.7439 2.7443 2.7963 2.7970 2.9669 2.9710 3.0520 3.0577 3.0616 3.0666 4.0102 4.0103 4.2160 4.2381 4.2413 4.2507 4.2702 4.2706 4.3351 4.3449 4.3496 4.3630 4.5114 4.5292 4.5410 4.5640 4.6491 4.6501 4.6763 4.6784 4.8196 4.8243 4.8260 4.8293 6.1815 6.1826 6.1881 6.1888 6.2340 6.2343 8.3738 8.3882 8.3958 8.4098 9.1700 9.1841 9.1998 9.2051 9.2122 9.2355 10.5475 10.5528 10.5668 10.5790 k = 0.4512 0.5000 0.4512 ( 5950 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9558 -25.9558 -25.9558 -25.9558 -6.4308 -6.4299 -6.3576 -6.3552 -6.2587 -6.2565 -6.2543 -6.2539 1.1698 1.1705 1.2640 1.2672 1.2727 1.2790 1.3872 1.3887 2.5727 2.5731 2.5737 2.5740 2.7337 2.7344 2.7433 2.7437 2.7940 2.7952 2.9623 2.9719 3.0465 3.0582 3.0651 3.0711 4.0099 4.0102 4.2021 4.2336 4.2340 4.2483 4.2697 4.2710 4.3327 4.3468 4.3527 4.3719 4.5048 4.5284 4.5414 4.5733 4.6483 4.6496 4.6819 4.6857 4.8248 4.8317 4.8345 4.8394 6.1666 6.1681 6.1779 6.1788 6.2229 6.2236 8.3653 8.3853 8.3940 8.4135 9.1630 9.1900 9.2063 9.2069 9.2255 9.2556 10.5375 10.5450 10.5741 10.5873 k = 0.4390 0.5000 0.4390 ( 5948 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9558 -25.9558 -25.9557 -25.9557 -6.4389 -6.4375 -6.3560 -6.3517 -6.2589 -6.2549 -6.2516 -6.2513 1.1735 1.1747 1.2629 1.2670 1.2752 1.2828 1.4036 1.4061 2.5667 2.5673 2.5681 2.5687 2.7279 2.7288 2.7421 2.7423 2.7918 2.7938 2.9550 2.9731 3.0395 3.0602 3.0699 3.0764 4.0094 4.0099 4.1876 4.2237 4.2295 4.2445 4.2693 4.2722 4.3302 4.3490 4.3560 4.3809 4.4991 4.5290 4.5410 4.5820 4.6485 4.6496 4.6885 4.6943 4.8317 4.8412 4.8444 4.8512 6.1480 6.1501 6.1648 6.1661 6.2094 6.2106 8.3567 8.3822 8.3917 8.4169 9.1544 9.1971 9.2066 9.2160 9.2415 9.2780 10.5254 10.5345 10.5831 10.5951 k = 0.4268 0.5000 0.4268 ( 5948 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9558 -25.9558 -25.9557 -25.9557 -6.4483 -6.4463 -6.3546 -6.3478 -6.2592 -6.2530 -6.2483 -6.2480 1.1778 1.1798 1.2626 1.2677 1.2787 1.2874 1.4219 1.4259 2.5596 2.5606 2.5616 2.5625 2.7210 2.7219 2.7396 2.7402 2.7905 2.7930 2.9448 2.9744 3.0313 3.0640 3.0759 3.0825 4.0083 4.0091 4.1730 4.2124 4.2246 4.2395 4.2692 4.2740 4.3276 4.3511 4.3594 4.3891 4.4942 4.5311 4.5399 4.5901 4.6500 4.6503 4.6962 4.7039 4.8400 4.8527 4.8550 4.8641 6.1263 6.1288 6.1489 6.1505 6.1938 6.1956 8.3483 8.3791 8.3893 8.4199 9.1443 9.2024 9.2080 9.2261 9.2589 9.3017 10.5121 10.5220 10.5938 10.6035 k = 0.4146 0.5000 0.4146 ( 5952 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9558 -25.9558 -25.9556 -25.9556 -6.4587 -6.4562 -6.3535 -6.3436 -6.2597 -6.2506 -6.2444 -6.2441 1.1827 1.1854 1.2631 1.2694 1.2832 1.2928 1.4418 1.4475 2.5516 2.5531 2.5542 2.5556 2.7129 2.7138 2.7354 2.7374 2.7903 2.7930 2.9318 2.9751 3.0224 3.0694 3.0830 3.0893 4.0067 4.0076 4.1588 4.2003 4.2195 4.2337 4.2693 4.2762 4.3249 4.3531 4.3630 4.3962 4.4902 4.5349 4.5385 4.5974 4.6515 4.6527 4.7048 4.7141 4.8497 4.8657 4.8663 4.8773 6.1018 6.1048 6.1305 6.1323 6.1764 6.1787 8.3407 8.3761 8.3870 8.4225 9.1325 9.2004 9.2152 9.2365 9.2768 9.3255 10.4985 10.5085 10.6064 10.6135 k = 0.4024 0.5000 0.4024 ( 5960 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9558 -25.9558 -25.9556 -25.9556 -6.4700 -6.4671 -6.3528 -6.3392 -6.2604 -6.2478 -6.2399 -6.2397 1.1879 1.1914 1.2647 1.2721 1.2887 1.2991 1.4630 1.4707 2.5429 2.5448 2.5462 2.5480 2.7038 2.7046 2.7299 2.7339 2.7916 2.7939 2.9164 2.9738 3.0144 3.0762 3.0911 3.0968 4.0041 4.0051 4.1454 4.1882 4.2143 4.2272 4.2693 4.2786 4.3221 4.3550 4.3665 4.4018 4.4873 4.5368 4.5405 4.6041 4.6532 4.6565 4.7144 4.7248 4.8607 4.8761 4.8817 4.8907 6.0753 6.0788 6.1099 6.1118 6.1574 6.1601 8.3339 8.3731 8.3854 8.4247 9.1190 9.1952 9.2230 9.2464 9.2940 9.3484 10.4853 10.4948 10.6212 10.6259 k = 0.3902 0.5000 0.3902 ( 5960 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9557 -25.9557 -25.9555 -25.9555 -6.4822 -6.4789 -6.3525 -6.3348 -6.2612 -6.2444 -6.2349 -6.2347 1.1932 1.1974 1.2674 1.2756 1.2952 1.3064 1.4851 1.4951 2.5337 2.5361 2.5376 2.5401 2.6939 2.6945 2.7235 2.7299 2.7939 2.7955 2.8989 2.9683 3.0097 3.0842 3.1002 3.1048 4.0004 4.0013 4.1334 4.1765 4.2091 4.2204 4.2693 4.2810 4.3194 4.3566 4.3698 4.4060 4.4856 4.5352 4.5476 4.6104 4.6552 4.6610 4.7249 4.7357 4.8727 4.8858 4.8980 4.9044 6.0475 6.0512 6.0875 6.0894 6.1368 6.1398 8.3282 8.3703 8.3844 8.4266 9.1038 9.1875 9.2299 9.2549 9.3098 9.3696 10.4733 10.4817 10.6389 10.6414 k = 0.3780 0.5000 0.3780 ( 5960 PWs) bands (ev): -61.6926 -61.6926 -34.6067 -34.6067 -25.9557 -25.9557 -25.9554 -25.9554 -6.4950 -6.4915 -6.3527 -6.3305 -6.2620 -6.2406 -6.2292 -6.2291 1.1985 1.2029 1.2717 1.2801 1.3028 1.3148 1.5078 1.5203 2.5242 2.5270 2.5286 2.5317 2.6833 2.6836 2.7168 2.7257 2.7973 2.7978 2.8799 2.9575 3.0094 3.0932 3.1101 3.1133 3.9954 3.9958 4.1232 4.1658 4.2041 4.2136 4.2690 4.2833 4.3171 4.3581 4.3728 4.4088 4.4854 4.5339 4.5560 4.6164 4.6575 4.6659 4.7361 4.7466 4.8850 4.8951 4.9117 4.9214 6.0190 6.0229 6.0639 6.0654 6.1146 6.1177 8.3238 8.3676 8.3843 8.4282 9.0868 9.1772 9.2350 9.2613 9.3236 9.3884 10.4629 10.4697 10.6600 10.6604 k = 0.3659 0.5000 0.3659 ( 5948 PWs) bands (ev): -61.6926 -61.6926 -34.6067 -34.6067 -25.9557 -25.9557 -25.9553 -25.9553 -6.5086 -6.5048 -6.3534 -6.3265 -6.2625 -6.2363 -6.2231 -6.2229 1.2034 1.2073 1.2777 1.2854 1.3114 1.3241 1.5307 1.5461 2.5143 2.5177 2.5195 2.5232 2.6720 2.6722 2.7101 2.7214 2.8006 2.8013 2.8598 2.9428 3.0122 3.1031 3.1207 3.1222 3.9886 3.9888 4.1150 4.1566 4.1992 4.2068 4.2681 4.2856 4.3154 4.3594 4.3753 4.4102 4.4870 4.5332 4.5654 4.6224 4.6598 4.6709 4.7481 4.7576 4.8953 4.9059 4.9221 4.9419 5.9903 5.9944 6.0394 6.0403 6.0910 6.0939 8.3206 8.3653 8.3850 8.4297 9.0680 9.1641 9.2379 9.2649 9.3348 9.4043 10.4543 10.4593 10.6835 10.6848 k = 0.3537 0.5000 0.3537 ( 5952 PWs) bands (ev): -61.6926 -61.6926 -34.6067 -34.6067 -25.9557 -25.9557 -25.9552 -25.9552 -6.5226 -6.5188 -6.3546 -6.3232 -6.2624 -6.2314 -6.2165 -6.2163 1.2076 1.2102 1.2857 1.2917 1.3208 1.3343 1.5537 1.5720 2.5045 2.5082 2.5102 2.5147 2.6600 2.6607 2.7039 2.7173 2.8035 2.8058 2.8392 2.9256 3.0169 3.1136 3.1316 3.1319 3.9795 3.9806 4.1087 4.1488 4.1944 4.2001 4.2663 4.2875 4.3144 4.3605 4.3773 4.4104 4.4905 4.5332 4.5756 4.6284 4.6621 4.6756 4.7606 4.7685 4.9014 4.9198 4.9301 4.9642 5.9620 5.9662 6.0145 6.0147 6.0661 6.0683 8.3186 8.3634 8.3861 8.4313 9.0476 9.1483 9.2378 9.2653 9.3432 9.4171 10.4478 10.4506 10.7111 10.7137 k = 0.3415 0.5000 0.3415 ( 5956 PWs) bands (ev): -61.6926 -61.6926 -34.6067 -34.6067 -25.9556 -25.9556 -25.9551 -25.9551 -6.5371 -6.5333 -6.3564 -6.3208 -6.2614 -6.2260 -6.2094 -6.2092 1.2108 1.2115 1.2955 1.2990 1.3311 1.3454 1.5763 1.5976 2.4946 2.4986 2.5010 2.5062 2.6478 2.6490 2.6986 2.7133 2.8049 2.8108 2.8205 2.9070 3.0228 3.1248 3.1413 3.1437 3.9688 3.9709 4.1042 4.1427 4.1898 4.1938 4.2636 4.2892 4.3142 4.3614 4.3787 4.4093 4.4959 4.5340 4.5863 4.6347 4.6643 4.6799 4.7733 4.7793 4.9042 4.9357 4.9360 4.9876 5.9346 5.9387 5.9880 5.9901 6.0402 6.0410 8.3175 8.3622 8.3873 8.4335 9.0259 9.1296 9.2345 9.2622 9.3486 9.4265 10.4433 10.4440 10.7432 10.7470 k = 0.3293 0.5000 0.3293 ( 5952 PWs) bands (ev): -61.6926 -61.6926 -34.6067 -34.6067 -25.9556 -25.9556 -25.9550 -25.9550 -6.5520 -6.5482 -6.3586 -6.3198 -6.2592 -6.2202 -6.2019 -6.2016 1.2112 1.2127 1.3069 1.3073 1.3420 1.3572 1.5983 1.6227 2.4849 2.4891 2.4920 2.4979 2.6354 2.6372 2.6945 2.7090 2.7940 2.8152 2.8160 2.8875 3.0296 3.1366 3.1513 3.1560 3.9571 3.9600 4.1012 4.1380 4.1855 4.1880 4.2600 4.2906 4.3150 4.3620 4.3795 4.4074 4.5031 4.5357 4.5972 4.6412 4.6665 4.6838 4.7862 4.7900 4.9045 4.9394 4.9526 5.0120 5.9081 5.9122 5.9612 5.9662 6.0123 6.0138 8.3171 8.3620 8.3877 8.4369 9.0030 9.1083 9.2276 9.2554 9.3508 9.4328 10.4393 10.4408 10.7801 10.7846 k = 0.3171 0.5000 0.3171 ( 5952 PWs) bands (ev): -61.6926 -61.6926 -34.6066 -34.6066 -25.9555 -25.9555 -25.9549 -25.9549 -6.5673 -6.5635 -6.3614 -6.3202 -6.2556 -6.2139 -6.1941 -6.1937 1.2093 1.2132 1.3166 1.3194 1.3534 1.3696 1.6195 1.6468 2.4755 2.4798 2.4833 2.4900 2.6231 2.6255 2.6918 2.7035 2.7771 2.8184 2.8211 2.8677 3.0370 3.1490 3.1615 3.1687 3.9445 3.9479 4.0991 4.1344 4.1812 4.1828 4.2554 4.2916 4.3166 4.3624 4.3798 4.4048 4.5117 4.5382 4.6080 4.6480 4.6688 4.6872 4.7989 4.8007 4.9024 4.9405 4.9704 5.0371 5.8826 5.8865 5.9341 5.9435 5.9822 5.9876 8.3170 8.3631 8.3866 8.4421 8.9796 9.0845 9.2172 9.2449 9.3500 9.4359 10.4366 10.4401 10.8217 10.8266 k = 0.3049 0.5000 0.3049 ( 5940 PWs) bands (ev): -61.6926 -61.6926 -34.6066 -34.6066 -25.9555 -25.9555 -25.9548 -25.9548 -6.5827 -6.5791 -6.3646 -6.3221 -6.2506 -6.2072 -6.1859 -6.1854 1.2061 1.2122 1.3266 1.3327 1.3654 1.3825 1.6396 1.6696 2.4666 2.4709 2.4751 2.4824 2.6110 2.6139 2.6908 2.6950 2.7639 2.8228 2.8251 2.8492 3.0452 3.1619 3.1721 3.1819 3.9316 3.9352 4.0979 4.1318 4.1770 4.1783 4.2501 4.2922 4.3189 4.3627 4.3795 4.4019 4.5215 4.5414 4.6182 4.6551 4.6714 4.6900 4.8112 4.8113 4.8984 4.9391 4.9889 5.0627 5.8578 5.8612 5.9070 5.9226 5.9512 5.9625 8.3167 8.3658 8.3835 8.4494 8.9560 9.0587 9.2032 9.2308 9.3463 9.4362 10.4357 10.4409 10.8676 10.8727 k = 0.2927 0.5000 0.2927 ( 5948 PWs) bands (ev): -61.6926 -61.6926 -34.6066 -34.6066 -25.9555 -25.9555 -25.9547 -25.9547 -6.5982 -6.5948 -6.3682 -6.3251 -6.2445 -6.2002 -6.1774 -6.1769 1.2015 1.2097 1.3371 1.3463 1.3776 1.3955 1.6584 1.6909 2.4582 2.4623 2.4673 2.4752 2.5991 2.6026 2.6819 2.6912 2.7567 2.8203 2.8276 2.8401 3.0539 3.1753 3.1828 3.1955 3.9185 3.9219 4.0970 4.1295 4.1728 4.1747 4.2442 4.2924 4.3216 4.3628 4.3788 4.3990 4.5322 4.5451 4.6268 4.6626 4.6750 4.6925 4.8218 4.8223 4.8931 4.9353 5.0079 5.0885 5.8333 5.8351 5.8807 5.9039 5.9197 5.9393 8.3158 8.3704 8.3779 8.4589 8.9328 9.0311 9.1857 9.2133 9.3400 9.4339 10.4364 10.4428 10.9175 10.9224 k = 0.2805 0.5000 0.2805 ( 5962 PWs) bands (ev): -61.6926 -61.6926 -34.6066 -34.6066 -25.9554 -25.9554 -25.9546 -25.9546 -6.6138 -6.6106 -6.3721 -6.3292 -6.2374 -6.1929 -6.1687 -6.1681 1.1957 1.2056 1.3480 1.3599 1.3901 1.4086 1.6758 1.7103 2.4505 2.4542 2.4602 2.4686 2.5876 2.5915 2.6650 2.6927 2.7556 2.8043 2.8328 2.8433 3.0632 3.1892 3.1938 3.2095 3.9056 3.9085 4.0963 4.1275 4.1685 4.1720 4.2379 4.2920 4.3245 4.3629 4.3775 4.3963 4.5434 4.5491 4.6331 4.6703 4.6804 4.6946 4.8309 4.8321 4.8883 4.9294 5.0273 5.1145 5.8067 5.8083 5.8562 5.8873 5.8889 5.9188 8.3141 8.3698 8.3770 8.4703 8.9107 9.0023 9.1651 9.1927 9.3313 9.4293 10.4382 10.4456 10.9709 10.9753 k = 0.2683 0.5000 0.2683 ( 5954 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9554 -25.9554 -25.9545 -25.9545 -6.6294 -6.6264 -6.3763 -6.3340 -6.2297 -6.1853 -6.1598 -6.1592 1.1888 1.2001 1.3590 1.3731 1.4026 1.4216 1.6918 1.7277 2.4436 2.4468 2.4538 2.4625 2.5766 2.5809 2.6459 2.6943 2.7590 2.7885 2.8381 2.8489 3.0733 3.2033 3.2055 3.2239 3.8930 3.8951 4.0958 4.1254 4.1642 4.1704 4.2315 4.2911 4.3275 4.3631 4.3758 4.3942 4.5530 4.5548 4.6364 4.6784 4.6879 4.6967 4.8341 4.8424 4.8873 4.9218 5.0472 5.1404 5.7748 5.7818 5.8346 5.8582 5.8748 5.9014 8.3114 8.3591 8.3854 8.4834 8.8901 8.9730 9.1417 9.1692 9.3207 9.4228 10.4410 10.4489 11.0272 11.0307 k = 0.2561 0.5000 0.2561 ( 5960 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9554 -25.9554 -25.9544 -25.9544 -6.6449 -6.6421 -6.3808 -6.3394 -6.2214 -6.1776 -6.1508 -6.1501 1.1807 1.1932 1.3698 1.3857 1.4152 1.4343 1.7063 1.7431 2.4375 2.4400 2.4481 2.4570 2.5661 2.5706 2.6262 2.6941 2.7655 2.7766 2.8437 2.8552 3.0840 3.2155 3.2196 3.2387 3.8807 3.8819 4.0953 4.1232 4.1598 4.1697 4.2250 4.2896 4.3302 4.3635 4.3738 4.3926 4.5566 4.5660 4.6370 4.6865 4.6969 4.6991 4.8297 4.8521 4.8927 4.9131 5.0673 5.1661 5.7395 5.7528 5.8159 5.8306 5.8643 5.8871 8.3077 8.3458 8.3953 8.4980 8.8717 8.9435 9.1157 9.1432 9.3085 9.4146 10.4442 10.4521 11.0857 11.0880 k = 0.2439 0.5000 0.2439 ( 5958 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9553 -25.9553 -25.9543 -25.9543 -6.6602 -6.6576 -6.3854 -6.3452 -6.2128 -6.1697 -6.1417 -6.1409 1.1716 1.1850 1.3802 1.3973 1.4276 1.4466 1.7193 1.7564 2.4324 2.4340 2.4432 2.4522 2.5561 2.5609 2.6068 2.6897 2.7713 2.7742 2.8495 2.8616 3.0955 3.2271 3.2352 3.2540 3.8689 3.8690 4.0947 4.1208 4.1555 4.1697 4.2187 4.2874 4.3323 4.3644 4.3717 4.3915 4.5594 4.5765 4.6360 4.6940 4.7027 4.7064 4.8196 4.8601 4.9034 4.9050 5.0877 5.1915 5.7016 5.7208 5.7996 5.8064 5.8564 5.8758 8.3027 8.3299 8.4067 8.5139 8.8557 8.9148 9.0878 9.1150 9.2950 9.4049 10.4474 10.4550 11.1456 11.1464 k = 0.2317 0.5000 0.2317 ( 5970 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9553 -25.9553 -25.9542 -25.9542 -6.6753 -6.6729 -6.3902 -6.3513 -6.2039 -6.1619 -6.1326 -6.1318 1.1616 1.1755 1.3902 1.4078 1.4399 1.4583 1.7308 1.7677 2.4282 2.4288 2.4391 2.4480 2.5466 2.5518 2.5883 2.6802 2.7735 2.7847 2.8554 2.8680 3.1078 3.2386 3.2514 3.2696 3.8565 3.8576 4.0938 4.1185 4.1511 4.1703 4.2126 4.2844 4.3335 4.3660 4.3697 4.3909 4.5611 4.5851 4.6348 4.6993 4.7090 4.7152 4.8069 4.8632 4.9009 4.9171 5.1082 5.2163 5.6618 5.6858 5.7853 5.7857 5.8509 5.8674 8.2962 8.3115 8.4192 8.5307 8.8426 8.8874 9.0583 9.0851 9.2805 9.3942 10.4503 10.4572 11.2050 11.2061 k = 0.2195 0.5000 0.2195 ( 5966 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9552 -25.9552 -25.9540 -25.9540 -6.6901 -6.6879 -6.3949 -6.3575 -6.1949 -6.1540 -6.1235 -6.1226 1.1508 1.1650 1.3993 1.4170 1.4517 1.4694 1.7409 1.7770 2.4245 2.4250 2.4358 2.4445 2.5378 2.5431 2.5712 2.6672 2.7814 2.7963 2.8616 2.8746 3.1210 3.2503 3.2683 3.2856 3.8444 3.8469 4.0927 4.1161 4.1471 4.1713 4.2069 4.2809 4.3336 4.3682 4.3683 4.3906 4.5614 4.5898 4.6358 4.7032 4.7174 4.7218 4.7943 4.8584 4.9048 4.9324 5.1287 5.2403 5.6207 5.6487 5.7685 5.7730 5.8472 5.8613 8.2881 8.2909 8.4327 8.5483 8.8325 8.8621 9.0277 9.0539 9.2652 9.3825 10.4523 10.4583 11.2629 11.2663 k = 0.2073 0.5000 0.2073 ( 5968 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9552 -25.9552 -25.9539 -25.9539 -6.7044 -6.7025 -6.3997 -6.3640 -6.1857 -6.1463 -6.1144 -6.1136 1.1392 1.1536 1.4076 1.4248 1.4631 1.4797 1.7497 1.7845 2.4210 2.4228 2.4333 2.4417 2.5296 2.5349 2.5558 2.6529 2.7926 2.8086 2.8678 2.8812 3.1352 3.2621 3.2856 3.3020 3.8329 3.8366 4.0911 4.1139 4.1435 4.1725 4.2017 4.2768 4.3325 4.3673 4.3714 4.3906 4.5603 4.5888 4.6407 4.7070 4.7238 4.7262 4.7847 4.8483 4.9143 4.9488 5.1491 5.2631 5.5788 5.6100 5.7543 5.7626 5.8452 5.8572 8.2685 8.2781 8.4468 8.5664 8.8252 8.8394 8.9965 9.0217 9.2495 9.3699 10.4531 10.4580 11.3190 11.3251 k = 0.1951 0.5000 0.1951 ( 5968 PWs) bands (ev): -61.6926 -61.6926 -34.6064 -34.6064 -25.9552 -25.9552 -25.9538 -25.9538 -6.7183 -6.7166 -6.4045 -6.3704 -6.1766 -6.1386 -6.1056 -6.1047 1.1271 1.1414 1.4149 1.4313 1.4739 1.4892 1.7572 1.7904 2.4183 2.4216 2.4316 2.4397 2.5220 2.5270 2.5424 2.6383 2.8057 2.8214 2.8741 2.8877 3.1502 3.2739 3.3034 3.3188 3.8219 3.8268 4.0892 4.1119 4.1408 4.1737 4.1969 4.2723 4.3303 4.3669 4.3750 4.3908 4.5579 4.5829 4.6490 4.7110 4.7186 4.7343 4.7814 4.8370 4.9262 4.9656 5.1692 5.2844 5.5365 5.5705 5.7430 5.7544 5.8445 5.8546 8.2446 8.2660 8.4614 8.5847 8.8200 8.8206 8.9651 8.9892 9.2336 9.3568 10.4523 10.4560 11.3723 11.3815 k = 0.1829 0.5000 0.1829 ( 5952 PWs) bands (ev): -61.6926 -61.6926 -34.6064 -34.6064 -25.9551 -25.9551 -25.9537 -25.9537 -6.7317 -6.7302 -6.4091 -6.3769 -6.1676 -6.1312 -6.0969 -6.0960 1.1146 1.1286 1.4212 1.4365 1.4839 1.4979 1.7635 1.7948 2.4165 2.4211 2.4308 2.4383 2.5150 2.5192 2.5315 2.6244 2.8195 2.8342 2.8806 2.8941 3.1663 3.2859 3.3215 3.3360 3.8114 3.8175 4.0869 4.1101 4.1390 4.1748 4.1927 4.2677 4.3271 4.3671 4.3788 4.3911 4.5542 4.5736 4.6584 4.7077 4.7152 4.7407 4.7841 4.8272 4.9393 4.9826 5.1887 5.3037 5.4942 5.5307 5.7347 5.7488 5.8449 5.8534 8.2197 8.2517 8.4763 8.6028 8.8043 8.8185 8.9340 8.9568 9.2175 9.3430 10.4499 10.4523 11.4215 11.4342 k = 0.1707 0.5000 0.1707 ( 5964 PWs) bands (ev): -61.6926 -61.6926 -34.6064 -34.6064 -25.9551 -25.9551 -25.9536 -25.9536 -6.7446 -6.7433 -6.4136 -6.3832 -6.1587 -6.1241 -6.0884 -6.0876 1.1018 1.1154 1.4264 1.4404 1.4931 1.5057 1.7686 1.7978 2.4155 2.4214 2.4306 2.4376 2.5086 2.5113 2.5231 2.6113 2.8333 2.8467 2.8871 2.9003 3.1831 3.2978 3.3399 3.3534 3.8014 3.8085 4.0845 4.1086 4.1383 4.1759 4.1889 4.2629 4.3229 4.3677 4.3827 4.3913 4.5494 4.5622 4.6643 4.6971 4.7185 4.7442 4.7901 4.8209 4.9529 4.9991 5.2073 5.3203 5.4526 5.4909 5.7294 5.7460 5.8460 5.8531 8.1944 8.2353 8.4910 8.6202 8.7924 8.8185 8.9037 8.9253 9.2014 9.3288 10.4455 10.4467 11.4655 11.4817 k = 0.1585 0.5000 0.1585 ( 5960 PWs) bands (ev): -61.6926 -61.6926 -34.6064 -34.6064 -25.9551 -25.9550 -25.9535 -25.9535 -6.7568 -6.7556 -6.4179 -6.3894 -6.1500 -6.1173 -6.0803 -6.0794 1.0889 1.1020 1.4306 1.4432 1.5015 1.5127 1.7727 1.7997 2.4153 2.4221 2.4312 2.4376 2.5028 2.5035 2.5169 2.5995 2.8467 2.8586 2.8936 2.9064 3.2007 3.3096 3.3585 3.3711 3.7919 3.7998 4.0822 4.1075 4.1387 4.1767 4.1855 4.2583 4.3179 4.3686 4.3865 4.3915 4.5438 4.5496 4.6576 4.6979 4.7186 4.7459 4.7976 4.8201 4.9669 5.0150 5.2245 5.3330 5.4126 5.4516 5.7273 5.7462 5.8478 5.8535 8.1692 8.2170 8.5052 8.6361 8.7844 8.8201 8.8749 8.8956 9.1856 9.3142 10.4391 10.4392 11.5031 11.5228 k = 0.1463 0.5000 0.1463 ( 5954 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9550 -25.9550 -25.9534 -25.9534 -6.7683 -6.7673 -6.4219 -6.3955 -6.1415 -6.1108 -6.0725 -6.0717 1.0761 1.0886 1.4337 1.4450 1.5090 1.5188 1.7758 1.8006 2.4160 2.4232 2.4327 2.4382 2.4965 2.4977 2.5124 2.5889 2.8594 2.8698 2.9002 2.9123 3.2190 3.3213 3.3770 3.3888 3.7829 3.7914 4.0804 4.1067 4.1401 4.1774 4.1827 4.2540 4.3121 4.3696 4.3900 4.3916 4.5362 4.5377 4.6412 4.7080 4.7123 4.7492 4.8058 4.8244 4.9808 5.0299 5.2399 5.3376 5.3786 5.4133 5.7284 5.7496 5.8500 5.8544 8.1444 8.1970 8.5185 8.6493 8.7801 8.8230 8.8481 8.8689 9.1702 9.2993 10.4299 10.4308 11.5333 11.5560 k = 0.1341 0.5000 0.1341 ( 5962 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9550 -25.9550 -25.9533 -25.9533 -6.7791 -6.7782 -6.4257 -6.4013 -6.1334 -6.1048 -6.0651 -6.0643 1.0636 1.0754 1.4360 1.4459 1.5156 1.5242 1.7779 1.8005 2.4174 2.4244 2.4346 2.4392 2.4903 2.4930 2.5091 2.5795 2.8711 2.8800 2.9068 2.9179 3.2375 3.3328 3.3953 3.4064 3.7743 3.7831 4.0795 4.1063 4.1423 4.1779 4.1803 4.2502 4.3056 4.3703 4.3913 4.3932 4.5226 4.5312 4.6221 4.7001 4.7208 4.7552 4.8144 4.8321 4.9945 5.0435 5.2529 5.3187 5.3660 5.3763 5.7328 5.7562 5.8525 5.8556 8.1207 8.1760 8.5303 8.6582 8.7791 8.8242 8.8265 8.8474 9.1553 9.2841 10.4189 10.4207 11.5557 11.5804 k = 0.1220 0.5000 0.1220 ( 5962 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9550 -25.9549 -25.9532 -25.9532 -6.7891 -6.7884 -6.4292 -6.4068 -6.1257 -6.0993 -6.0582 -6.0575 1.0516 1.0625 1.4374 1.4460 1.5213 1.5288 1.7793 1.7997 2.4195 2.4258 2.4371 2.4406 2.4850 2.4890 2.5069 2.5713 2.8817 2.8891 2.9134 2.9232 3.2563 3.3439 3.4132 3.4238 3.7662 3.7750 4.0796 4.1062 4.1454 4.1784 4.1785 4.2469 4.2985 4.3705 4.3908 4.3960 4.5094 4.5247 4.6024 4.6843 4.7347 4.7631 4.8231 4.8419 5.0075 5.0557 5.2627 5.2851 5.3415 5.3664 5.7404 5.7657 5.8552 5.8570 8.0982 8.1543 8.5401 8.6607 8.7806 8.8042 8.8278 8.8354 9.1413 9.2686 10.4067 10.4091 11.5702 11.5956 k = 0.1098 0.5000 0.1098 ( 5972 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9549 -25.9549 -25.9532 -25.9532 -6.7983 -6.7977 -6.4323 -6.4121 -6.1183 -6.0943 -6.0518 -6.0511 1.0402 1.0502 1.4382 1.4456 1.5263 1.5327 1.7801 1.7984 2.4222 2.4272 2.4399 2.4423 2.4804 2.4856 2.5057 2.5642 2.8910 2.8971 2.9198 2.9282 3.2748 3.3545 3.4306 3.4407 3.7585 3.7669 4.0811 4.1065 4.1492 4.1772 4.1787 4.2440 4.2909 4.3692 4.3903 4.3983 4.4972 4.5182 4.5828 4.6664 4.7491 4.7722 4.8317 4.8525 5.0198 5.0664 5.2507 5.2670 5.3114 5.3665 5.7507 5.7776 5.8581 5.8585 8.0774 8.1325 8.5470 8.6555 8.7816 8.7919 8.8236 8.8373 9.1282 9.2528 10.3936 10.3963 11.5777 11.6023 k = 0.0976 0.5000 0.0976 ( 5972 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9549 -25.9549 -25.9531 -25.9531 -6.8066 -6.8061 -6.4351 -6.4170 -6.1115 -6.0899 -6.0459 -6.0453 1.0296 1.0386 1.4385 1.4447 1.5305 1.5359 1.7803 1.7966 2.4253 2.4286 2.4428 2.4443 2.4766 2.4827 2.5054 2.5580 2.8992 2.9040 2.9259 2.9328 3.2930 3.3643 3.4472 3.4569 3.7513 3.7591 4.0839 4.1071 4.1535 4.1766 4.1791 4.2417 4.2830 4.3656 4.3902 4.4003 4.4867 4.5118 4.5641 4.6475 4.7639 4.7821 4.8400 4.8635 5.0308 5.0754 5.2181 5.2567 5.2955 5.3645 5.7634 5.7912 5.8600 5.8610 8.0586 8.1111 8.5505 8.6436 8.7748 8.7944 8.8242 8.8412 9.1166 9.2370 10.3799 10.3829 11.5794 11.6022 k = 0.0854 0.5000 0.0854 ( 5972 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9549 -25.9549 -25.9530 -25.9530 -6.8140 -6.8136 -6.4374 -6.4215 -6.1052 -6.0861 -6.0406 -6.0401 1.0199 1.0279 1.4384 1.4436 1.5340 1.5386 1.7802 1.7945 2.4285 2.4300 2.4456 2.4465 2.4733 2.4803 2.5059 2.5525 2.9063 2.9098 2.9316 2.9369 3.3105 3.3733 3.4628 3.4722 3.7444 3.7514 4.0879 4.1081 4.1584 4.1769 4.1795 4.2397 4.2750 4.3588 4.3909 4.4018 4.4784 4.5057 4.5468 4.6280 4.7790 4.7926 4.8479 4.8743 5.0402 5.0826 5.1887 5.2324 5.2938 5.3603 5.7776 5.8057 5.8614 5.8639 8.0420 8.0905 8.5507 8.6274 8.7701 8.8016 8.8292 8.8447 9.1067 9.2210 10.3662 10.3692 11.5769 11.5971 k = 0.0732 0.5000 0.0732 ( 5956 PWs) bands (ev): -61.6926 -61.6926 -34.6063 -34.6063 -25.9548 -25.9548 -25.9529 -25.9529 -6.8205 -6.8202 -6.4393 -6.4257 -6.0994 -6.0829 -6.0360 -6.0355 1.0113 1.0182 1.4380 1.4423 1.5369 1.5407 1.7799 1.7922 2.4315 2.4316 2.4481 2.4490 2.4707 2.4785 2.5072 2.5477 2.9124 2.9149 2.9367 2.9407 3.3269 3.3811 3.4773 3.4861 3.7382 3.7442 4.0930 4.1093 4.1638 4.1782 4.1801 4.2377 4.2674 4.3490 4.3923 4.4029 4.4725 4.5000 4.5317 4.6084 4.7943 4.8034 4.8549 4.8845 5.0475 5.0879 5.1634 5.2062 5.2952 5.3545 5.7924 5.8201 5.8627 5.8668 8.0278 8.0713 8.5480 8.6094 8.7702 8.8102 8.8360 8.8475 9.0991 9.2049 10.3530 10.3559 11.5718 11.5891 k = 0.0610 0.5000 0.0610 ( 5952 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9548 -25.9548 -25.9529 -25.9529 -6.8260 -6.8258 -6.4408 -6.4294 -6.0942 -6.0803 -6.0320 -6.0315 1.0040 1.0097 1.4376 1.4410 1.5393 1.5423 1.7795 1.7898 2.4329 2.4341 2.4503 2.4516 2.4686 2.4770 2.5090 2.5433 2.9174 2.9190 2.9411 2.9439 3.3422 3.3876 3.4904 3.4985 3.7326 3.7374 4.0986 4.1107 4.1694 4.1806 4.1808 4.2356 4.2605 4.3364 4.3939 4.4036 4.4688 4.4946 4.5191 4.5890 4.8095 4.8142 4.8609 4.8932 5.0519 5.0910 5.1435 5.1819 5.2967 5.3475 5.8069 5.8333 5.8641 5.8697 8.0161 8.0537 8.5436 8.5915 8.7744 8.8192 8.8416 8.8499 9.0942 9.1889 10.3409 10.3434 11.5655 11.5798 k = 0.0488 0.5000 0.0488 ( 5942 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9548 -25.9548 -25.9528 -25.9528 -6.8306 -6.8304 -6.4419 -6.4327 -6.0897 -6.0785 -6.0286 -6.0283 0.9979 1.0025 1.4371 1.4398 1.5412 1.5435 1.7793 1.7875 2.4342 2.4360 2.4521 2.4541 2.4672 2.4758 2.5114 2.5391 2.9214 2.9224 2.9447 2.9466 3.3559 3.3924 3.5019 3.5090 3.7276 3.7313 4.1040 4.1123 4.1751 4.1817 4.1844 4.2329 4.2549 4.3220 4.3958 4.4039 4.4673 4.4897 4.5098 4.5703 4.8247 4.8248 4.8655 4.8996 5.0533 5.0913 5.1302 5.1610 5.2983 5.3398 5.8202 5.8442 5.8660 5.8726 8.0072 8.0381 8.5387 8.5750 8.7816 8.8281 8.8434 8.8532 9.0924 9.1732 10.3302 10.3324 11.5593 11.5706 k = 0.0366 0.5000 0.0366 ( 5950 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9548 -25.9548 -25.9528 -25.9528 -6.8342 -6.8340 -6.4424 -6.4355 -6.0858 -6.0774 -6.0260 -6.0257 0.9932 0.9967 1.4367 1.4386 1.5426 1.5443 1.7791 1.7853 2.4353 2.4372 2.4535 2.4559 2.4669 2.4748 2.5141 2.5352 2.9244 2.9250 2.9475 2.9487 3.3679 3.3953 3.5114 3.5172 3.7235 3.7261 4.1087 4.1137 4.1803 4.1829 4.1896 4.2293 4.2516 4.3065 4.3976 4.4039 4.4674 4.4851 4.5042 4.5526 4.8347 4.8391 4.8688 4.9027 5.0527 5.0879 5.1234 5.1450 5.3003 5.3320 5.8315 5.8512 5.8691 5.8753 8.0011 8.0248 8.5344 8.5606 8.7908 8.8365 8.8412 8.8565 9.0940 9.1578 10.3215 10.3232 11.5539 11.5623 k = 0.0244 0.5000 0.0244 ( 5934 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9548 -25.9548 -25.9528 -25.9528 -6.8367 -6.8366 -6.4425 -6.4379 -6.0826 -6.0770 -6.0241 -6.0239 0.9900 0.9923 1.4364 1.4377 1.5437 1.5448 1.7794 1.7835 2.4364 2.4378 2.4546 2.4567 2.4677 2.4737 2.5172 2.5314 2.9266 2.9269 2.9496 2.9502 3.3779 3.3963 3.5189 3.5230 3.7205 3.7221 4.1123 4.1148 4.1841 4.1841 4.1967 4.2249 4.2516 4.2910 4.3994 4.4036 4.4690 4.4811 4.5027 4.5367 4.8436 4.8513 4.8719 4.9015 5.0529 5.0808 5.1214 5.1344 5.3029 5.3244 5.8404 5.8539 5.8733 5.8776 7.9978 8.0139 8.5319 8.5488 8.8009 8.8364 8.8440 8.8581 9.0989 9.1431 10.3151 10.3163 11.5501 11.5557 k = 0.0122 0.5000 0.0122 ( 5938 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9548 -25.9548 -25.9527 -25.9527 -6.8383 -6.8382 -6.4421 -6.4398 -6.0801 -6.0773 -6.0229 -6.0228 0.9882 0.9894 1.4363 1.4369 1.5444 1.5450 1.7798 1.7819 2.4372 2.4380 2.4554 2.4566 2.4692 2.4725 2.5205 2.5277 2.9279 2.9280 2.9508 2.9511 3.3859 3.3951 3.5240 3.5261 3.7187 3.7195 4.1145 4.1155 4.1854 4.1860 4.2046 4.2192 4.2558 4.2765 4.4008 4.4030 4.4714 4.4774 4.5055 4.5231 4.8510 4.8573 4.8779 4.8961 5.0560 5.0715 5.1221 5.1281 5.3066 5.3174 5.8470 5.8536 5.8770 5.8790 7.9975 8.0056 8.5317 8.5401 8.8111 8.8294 8.8502 8.8575 9.1067 9.1294 10.3113 10.3118 11.5481 11.5509 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -61.6926 -61.6926 -34.6062 -34.6062 -25.9548 -25.9548 -25.9528 -25.9528 -6.8387 -6.8387 -6.4412 -6.4412 -6.0783 -6.0783 -6.0225 -6.0225 0.9880 0.9880 1.4365 1.4365 1.5449 1.5449 1.7807 1.7807 2.4378 2.4378 2.4561 2.4561 2.4709 2.4709 2.5240 2.5240 2.9283 2.9283 2.9513 2.9513 3.3916 3.3916 3.5264 3.5264 3.7183 3.7183 4.1155 4.1155 4.1862 4.1862 4.2123 4.2123 4.2643 4.2643 4.4020 4.4020 4.4742 4.4742 4.5124 4.5124 4.8561 4.8561 4.8874 4.8874 5.0625 5.0625 5.1243 5.1243 5.3114 5.3114 5.8513 5.8513 5.8789 5.8789 8.0001 8.0001 8.5344 8.5344 8.8208 8.8208 8.8548 8.8548 9.1171 9.1171 10.3102 10.3102 11.5484 11.5484 k = 0.5000 0.5000-0.0000 ( 6024 PWs) bands (ev): -61.6927 -61.6927 -34.6066 -34.6066 -25.9559 -25.9559 -25.9539 -25.9539 -6.5779 -6.5779 -6.3523 -6.3523 -6.2668 -6.2668 -6.1758 -6.1758 1.2182 1.2182 1.4514 1.4514 1.4751 1.4751 2.1111 2.1111 2.3977 2.3977 2.4463 2.4463 2.5124 2.5124 2.5457 2.5457 2.5767 2.5767 2.9208 2.9208 3.0089 3.0089 3.1028 3.1028 3.8498 3.8498 4.1816 4.1816 4.1898 4.1898 4.2202 4.2202 4.3630 4.3630 4.3710 4.3710 4.4176 4.4176 4.8102 4.8102 4.8740 4.8740 4.8755 4.8755 4.8939 4.8939 5.0187 5.0187 5.5172 5.5172 5.5183 5.5183 6.0266 6.0266 8.4304 8.4304 8.6434 8.6434 8.7042 8.7042 9.2683 9.2683 9.2744 9.2744 11.2119 11.2119 11.2150 11.2150 k = 0.5000 0.5000 0.0172 ( 5968 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9558 -25.9558 -25.9539 -25.9539 -6.5776 -6.5776 -6.3522 -6.3522 -6.2668 -6.2668 -6.1759 -6.1759 1.2182 1.2182 1.4506 1.4506 1.4745 1.4745 2.1057 2.1057 2.4006 2.4006 2.4467 2.4467 2.5130 2.5130 2.5463 2.5463 2.5789 2.5789 2.9206 2.9206 3.0091 3.0091 3.1029 3.1029 3.8506 3.8506 4.1813 4.1813 4.1889 4.1889 4.2218 4.2218 4.3609 4.3609 4.3728 4.3728 4.4180 4.4180 4.8087 4.8087 4.8724 4.8724 4.8760 4.8760 4.8957 4.8957 5.0185 5.0185 5.5155 5.5155 5.5237 5.5237 6.0272 6.0272 8.4291 8.4291 8.6361 8.6361 8.7134 8.7134 9.2683 9.2683 9.2755 9.2755 11.2090 11.2090 11.2120 11.2120 k = 0.5000 0.5000 0.0345 ( 5968 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9558 -25.9558 -25.9539 -25.9539 -6.5766 -6.5766 -6.3521 -6.3521 -6.2667 -6.2667 -6.1764 -6.1764 1.2181 1.2181 1.4479 1.4479 1.4726 1.4726 2.0904 2.0904 2.4082 2.4082 2.4478 2.4478 2.5144 2.5144 2.5481 2.5481 2.5853 2.5853 2.9196 2.9196 3.0094 3.0094 3.1031 3.1031 3.8526 3.8526 4.1790 4.1790 4.1875 4.1875 4.2255 4.2255 4.3566 4.3566 4.3757 4.3757 4.4188 4.4188 4.8041 4.8041 4.8670 4.8670 4.8784 4.8784 4.8992 4.8992 5.0176 5.0176 5.5168 5.5168 5.5327 5.5327 6.0289 6.0289 8.4250 8.4250 8.6211 8.6211 8.7340 8.7340 9.2685 9.2685 9.2782 9.2782 11.2002 11.2002 11.2029 11.2029 k = 0.5000 0.5000 0.0517 ( 5972 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9558 -25.9558 -25.9539 -25.9539 -6.5749 -6.5749 -6.3520 -6.3520 -6.2666 -6.2666 -6.1772 -6.1772 1.2180 1.2180 1.4436 1.4436 1.4695 1.4695 2.0673 2.0673 2.4182 2.4182 2.4498 2.4498 2.5168 2.5168 2.5509 2.5509 2.5961 2.5961 2.9180 2.9180 3.0098 3.0098 3.1033 3.1033 3.8560 3.8560 4.1742 4.1742 4.1876 4.1876 4.2303 4.2303 4.3515 4.3515 4.3785 4.3785 4.4202 4.4202 4.7973 4.7973 4.8600 4.8600 4.8814 4.8814 4.9031 4.9031 5.0162 5.0162 5.5217 5.5217 5.5450 5.5450 6.0317 6.0317 8.4183 8.4183 8.6049 8.6049 8.7592 8.7592 9.2694 9.2694 9.2821 9.2821 11.1859 11.1859 11.1881 11.1881 k = 0.5000 0.5000 0.0690 ( 5964 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9558 -25.9558 -25.9539 -25.9539 -6.5726 -6.5726 -6.3518 -6.3518 -6.2664 -6.2664 -6.1783 -6.1783 1.2177 1.2177 1.4377 1.4377 1.4652 1.4652 2.0387 2.0387 2.4284 2.4284 2.4525 2.4525 2.5204 2.5204 2.5550 2.5550 2.6112 2.6112 2.9157 2.9157 3.0105 3.0105 3.1036 3.1036 3.8607 3.8607 4.1679 4.1679 4.1890 4.1890 4.2354 4.2354 4.3460 4.3460 4.3812 4.3812 4.4220 4.4220 4.7890 4.7890 4.8520 4.8520 4.8837 4.8837 4.9070 4.9070 5.0143 5.0143 5.5305 5.5305 5.5603 5.5603 6.0357 6.0357 8.4094 8.4094 8.5896 8.5896 8.7868 8.7868 9.2709 9.2709 9.2870 9.2870 11.1662 11.1662 11.1679 11.1679 k = 0.5000 0.5000 0.0862 ( 5964 PWs) bands (ev): -61.6926 -61.6926 -34.6065 -34.6065 -25.9558 -25.9558 -25.9540 -25.9540 -6.5696 -6.5696 -6.3516 -6.3516 -6.2662 -6.2662 -6.1797 -6.1797 1.2174 1.2174 1.4303 1.4303 1.4597 1.4597 2.0063 2.0063 2.4372 2.4372 2.4562 2.4562 2.5252 2.5252 2.5601 2.5601 2.6302 2.6302 2.9128 2.9128 3.0113 3.0113 3.1039 3.1039 3.8666 3.8666 4.1609 4.1609 4.1910 4.1910 4.2404 4.2404 4.3404 4.3404 4.3835 4.3835 4.4242 4.4242 4.7795 4.7795 4.8435 4.8435 4.8845 4.8845 4.9106 4.9106 5.0119 5.0119 5.5430 5.5430 5.5786 5.5786 6.0406 6.0406 8.3987 8.3987 8.5757 8.5757 8.8159 8.8159 9.2732 9.2732 9.2925 9.2925 11.1415 11.1415 11.1429 11.1429 k = 0.5000 0.5000 0.1034 ( 5976 PWs) bands (ev): -61.6926 -61.6926 -34.6066 -34.6066 -25.9559 -25.9559 -25.9541 -25.9541 -6.5660 -6.5660 -6.3514 -6.3514 -6.2660 -6.2660 -6.1814 -6.1814 1.2170 1.2170 1.4216 1.4216 1.4532 1.4532 1.9714 1.9714 2.4444 2.4444 2.4606 2.4606 2.5311 2.5311 2.5662 2.5662 2.6523 2.6523 2.9093 2.9093 3.0123 3.0123 3.1041 3.1041 3.8737 3.8737 4.1537 4.1537 4.1935 4.1935 4.2452 4.2452 4.3346 4.3346 4.3857 4.3857 4.4267 4.4267 4.7693 4.7693 4.8345 4.8345 4.8833 4.8833 4.9138 4.9138 5.0092 5.0092 5.5594 5.5594 5.5996 5.5996 6.0465 6.0465 8.3867 8.3867 8.5631 8.5631 8.8459 8.8459 9.2761 9.2761 9.2985 9.2985 11.1121 11.1121 11.1139 11.1139 k = 0.5000 0.5000 0.1207 ( 5976 PWs) bands (ev): -61.6926 -61.6926 -34.6066 -34.6066 -25.9559 -25.9559 -25.9541 -25.9541 -6.5618 -6.5618 -6.3511 -6.3511 -6.2657 -6.2657 -6.1835 -6.1835 1.2164 1.2164 1.4117 1.4117 1.4456 1.4456 1.9351 1.9351 2.4503 2.4503 2.4653 2.4653 2.5382 2.5382 2.5732 2.5732 2.6767 2.6767 2.9052 2.9052 3.0134 3.0134 3.1043 3.1043 3.8819 3.8819 4.1466 4.1466 4.1965 4.1965 4.2496 4.2496 4.3291 4.3291 4.3877 4.3877 4.4294 4.4294 4.7584 4.7584 4.8251 4.8251 4.8798 4.8798 4.9163 4.9163 5.0063 5.0063 5.5795 5.5795 5.6234 5.6234 6.0533 6.0533 8.3740 8.3740 8.5516 8.5516 8.8766 8.8766 9.2794 9.2794 9.3047 9.3047 11.0787 11.0787 11.0815 11.0815 k = 0.5000 0.5000 0.1379 ( 5972 PWs) bands (ev): -61.6926 -61.6926 -34.6066 -34.6066 -25.9559 -25.9559 -25.9542 -25.9542 -6.5571 -6.5571 -6.3508 -6.3508 -6.2654 -6.2654 -6.1858 -6.1858 1.2157 1.2157 1.4009 1.4009 1.4372 1.4372 1.8978 1.8978 2.4557 2.4557 2.4700 2.4700 2.5464 2.5464 2.5812 2.5812 2.7024 2.7024 2.9005 2.9005 3.0146 3.0146 3.1045 3.1045 3.8911 3.8911 4.1396 4.1396 4.1999 4.1999 4.2536 4.2536 4.3238 4.3238 4.3897 4.3897 4.4324 4.4324 4.7470 4.7470 4.8156 4.8156 4.8741 4.8741 4.9177 4.9177 5.0033 5.0033 5.6031 5.6031 5.6496 5.6496 6.0609 6.0609 8.3612 8.3612 8.5410 8.5410 8.9076 8.9076 9.2829 9.2829 9.3110 9.3110 11.0422 11.0422 11.0464 11.0464 k = 0.5000 0.5000 0.1552 ( 5972 PWs) bands (ev): -61.6926 -61.6926 -34.6066 -34.6066 -25.9559 -25.9559 -25.9543 -25.9543 -6.5517 -6.5517 -6.3505 -6.3505 -6.2651 -6.2651 -6.1884 -6.1884 1.2148 1.2148 1.3892 1.3892 1.4280 1.4280 1.8602 1.8602 2.4609 2.4609 2.4747 2.4747 2.5556 2.5556 2.5898 2.5898 2.7287 2.7287 2.8953 2.8953 3.0158 3.0158 3.1044 3.1044 3.9012 3.9012 4.1330 4.1330 4.2037 4.2037 4.2569 4.2569 4.3189 4.3189 4.3916 4.3916 4.4356 4.4356 4.7349 4.7349 4.8058 4.8058 4.8664 4.8664 4.9178 4.9178 5.0001 5.0001 5.6300 5.6300 5.6782 5.6782 6.0692 6.0692 8.3488 8.3488 8.5311 8.5311 8.9387 8.9387 9.2864 9.2864 9.3170 9.3170 11.0033 11.0033 11.0091 11.0091 k = 0.5000 0.5000 0.1724 ( 5972 PWs) bands (ev): -61.6926 -61.6926 -34.6066 -34.6066 -25.9559 -25.9559 -25.9544 -25.9544 -6.5459 -6.5459 -6.3502 -6.3502 -6.2647 -6.2647 -6.1914 -6.1914 1.2137 1.2137 1.3770 1.3770 1.4181 1.4181 1.8226 1.8226 2.4663 2.4663 2.4795 2.4795 2.5656 2.5656 2.5991 2.5991 2.7549 2.7549 2.8897 2.8897 3.0172 3.0172 3.1042 3.1042 3.9121 3.9121 4.1269 4.1269 4.2077 4.2077 4.2596 4.2596 4.3148 4.3148 4.3935 4.3935 4.4390 4.4390 4.7223 4.7223 4.7959 4.7959 4.8568 4.8568 4.9165 4.9165 4.9967 4.9967 5.6598 5.6598 5.7089 5.7089 6.0782 6.0782 8.3373 8.3373 8.5216 8.5216 8.9694 8.9694 9.2897 9.2897 9.3224 9.3224 10.9629 10.9629 10.9704 10.9704 k = 0.5000 0.5000 0.1897 ( 5972 PWs) bands (ev): -61.6926 -61.6926 -34.6066 -34.6066 -25.9559 -25.9559 -25.9545 -25.9545 -6.5396 -6.5396 -6.3498 -6.3498 -6.2643 -6.2643 -6.1946 -6.1946 1.2124 1.2124 1.3644 1.3644 1.4077 1.4077 1.7853 1.7853 2.4719 2.4719 2.4844 2.4844 2.5763 2.5763 2.6091 2.6091 2.7806 2.7806 2.8837 2.8837 3.0186 3.0186 3.1038 3.1038 3.9236 3.9236 4.1215 4.1215 4.2121 4.2121 4.2615 4.2615 4.3114 4.3114 4.3953 4.3953 4.4427 4.4427 4.7092 4.7092 4.7861 4.7861 4.8455 4.8455 4.9138 4.9138 4.9930 4.9930 5.6922 5.6922 5.7415 5.7415 6.0877 6.0877 8.3270 8.3270 8.5123 8.5123 8.9996 8.9996 9.2924 9.2924 9.3271 9.3271 10.9218 10.9218 10.9311 10.9311 k = 0.5000 0.5000 0.2069 ( 5972 PWs) bands (ev): -61.6926 -61.6926 -34.6066 -34.6066 -25.9559 -25.9559 -25.9546 -25.9546 -6.5328 -6.5328 -6.3495 -6.3495 -6.2639 -6.2639 -6.1981 -6.1981 1.2110 1.2110 1.3515 1.3515 1.3970 1.3970 1.7485 1.7485 2.4780 2.4780 2.4897 2.4897 2.5877 2.5877 2.6195 2.6195 2.8052 2.8052 2.8774 2.8774 3.0200 3.0200 3.1030 3.1030 3.9354 3.9354 4.1169 4.1169 4.2166 4.2166 4.2625 4.2625 4.3090 4.3090 4.3970 4.3970 4.4467 4.4467 4.6957 4.6957 4.7763 4.7763 4.8327 4.8327 4.9098 4.9098 4.9886 4.9886 5.7267 5.7267 5.7756 5.7756 6.0976 6.0976 8.3182 8.3182 8.5033 8.5033 9.0287 9.0287 9.2944 9.2944 9.3307 9.3307 10.8806 10.8806 10.8918 10.8918 k = 0.5000 0.5000 0.2241 ( 5964 PWs) bands (ev): -61.6926 -61.6926 -34.6067 -34.6067 -25.9559 -25.9559 -25.9547 -25.9547 -6.5256 -6.5256 -6.3493 -6.3493 -6.2635 -6.2635 -6.2018 -6.2018 1.2093 1.2093 1.3387 1.3387 1.3860 1.3860 1.7125 1.7125 2.4844 2.4844 2.4952 2.4952 2.5996 2.5996 2.6303 2.6303 2.8282 2.8282 2.8710 2.8710 3.0215 3.0215 3.1020 3.1020 3.9474 3.9474 4.1135 4.1135 4.2214 4.2214 4.2627 4.2627 4.3077 4.3077 4.3985 4.3985 4.4509 4.4509 4.6819 4.6819 4.7667 4.7667 4.8187 4.8187 4.9046 4.9046 4.9835 4.9835 5.7630 5.7630 5.8110 5.8110 6.1079 6.1079 8.3113 8.3113 8.4945 8.4945 9.0565 9.0565 9.2953 9.2953 9.3328 9.3328 10.8402 10.8402 10.8531 10.8531 k = 0.5000 0.5000 0.2414 ( 5960 PWs) bands (ev): -61.6926 -61.6926 -34.6067 -34.6067 -25.9559 -25.9559 -25.9548 -25.9548 -6.5181 -6.5181 -6.3491 -6.3491 -6.2630 -6.2630 -6.2058 -6.2058 1.2074 1.2074 1.3262 1.3262 1.3749 1.3749 1.6774 1.6774 2.4912 2.4912 2.5012 2.5012 2.6119 2.6119 2.6415 2.6415 2.8478 2.8478 2.8663 2.8663 3.0230 3.0230 3.1006 3.1006 3.9591 3.9591 4.1114 4.1114 4.2263 4.2263 4.2621 4.2621 4.3073 4.3073 4.3998 4.3998 4.4554 4.4554 4.6679 4.6679 4.7572 4.7572 4.8037 4.8037 4.8986 4.8986 4.9773 4.9773 5.8006 5.8006 5.8473 5.8473 6.1184 6.1184 8.3064 8.3064 8.4858 8.4858 9.0824 9.0824 9.2949 9.2949 9.3334 9.3334 10.8011 10.8011 10.8156 10.8156 k = 0.5000 0.5000 0.2586 ( 5964 PWs) bands (ev): -61.6926 -61.6926 -34.6067 -34.6067 -25.9559 -25.9559 -25.9549 -25.9549 -6.5102 -6.5102 -6.3490 -6.3490 -6.2626 -6.2626 -6.2100 -6.2100 1.2053 1.2053 1.3141 1.3141 1.3638 1.3638 1.6433 1.6433 2.4984 2.4984 2.5074 2.5074 2.6245 2.6245 2.6529 2.6529 2.8521 2.8521 2.8750 2.8750 3.0245 3.0245 3.0988 3.0988 3.9703 3.9703 4.1110 4.1110 4.2312 4.2312 4.2611 4.2611 4.3078 4.3078 4.4007 4.4007 4.4602 4.4602 4.6539 4.6539 4.7479 4.7479 4.7881 4.7881 4.8919 4.8919 4.9698 4.9698 5.8390 5.8390 5.8842 5.8842 6.1289 6.1289 8.3036 8.3036 8.4772 8.4772 9.1061 9.1061 9.2930 9.2930 9.3322 9.3322 10.7638 10.7638 10.7795 10.7795 k = 0.5000 0.5000 0.2759 ( 5960 PWs) bands (ev): -61.6926 -61.6926 -34.6067 -34.6067 -25.9559 -25.9559 -25.9550 -25.9550 -6.5021 -6.5021 -6.3489 -6.3489 -6.2622 -6.2622 -6.2143 -6.2143 1.2029 1.2029 1.3027 1.3027 1.3529 1.3529 1.6105 1.6105 2.5060 2.5060 2.5141 2.5141 2.6372 2.6372 2.6644 2.6644 2.8460 2.8460 2.8921 2.8921 3.0262 3.0262 3.0966 3.0966 3.9804 3.9804 4.1126 4.1126 4.2361 4.2361 4.2597 4.2597 4.3090 4.3090 4.4012 4.4012 4.4652 4.4652 4.6402 4.6402 4.7388 4.7388 4.7721 4.7721 4.8846 4.8846 4.9610 4.9610 5.8778 5.8778 5.9212 5.9212 6.1394 6.1394 8.3030 8.3030 8.4688 8.4688 9.1271 9.1271 9.2894 9.2894 9.3291 9.3291 10.7286 10.7286 10.7450 10.7450 k = 0.5000 0.5000 0.2931 ( 5960 PWs) bands (ev): -61.6926 -61.6926 -34.6067 -34.6067 -25.9559 -25.9559 -25.9551 -25.9551 -6.4938 -6.4938 -6.3490 -6.3490 -6.2618 -6.2618 -6.2189 -6.2189 1.2003 1.2003 1.2923 1.2923 1.3422 1.3422 1.5790 1.5790 2.5139 2.5139 2.5209 2.5209 2.6499 2.6499 2.6760 2.6760 2.8387 2.8387 2.9084 2.9084 3.0281 3.0281 3.0941 3.0941 3.9891 3.9891 4.1166 4.1166 4.2409 4.2409 4.2583 4.2583 4.3107 4.3107 4.4011 4.4011 4.4704 4.4704 4.6270 4.6270 4.7299 4.7299 4.7561 4.7561 4.8770 4.8770 4.9509 4.9509 5.9164 5.9164 5.9579 5.9579 6.1498 6.1498 8.3045 8.3045 8.4607 8.4607 9.1450 9.1450 9.2842 9.2842 9.3241 9.3241 10.6956 10.6956 10.7126 10.7126 k = 0.5000 0.5000 0.3103 ( 5968 PWs) bands (ev): -61.6926 -61.6926 -34.6067 -34.6067 -25.9559 -25.9559 -25.9552 -25.9552 -6.4853 -6.4853 -6.3493 -6.3493 -6.2614 -6.2614 -6.2235 -6.2235 1.1972 1.1972 1.2831 1.2831 1.3320 1.3320 1.5490 1.5490 2.5220 2.5220 2.5280 2.5280 2.6624 2.6624 2.6875 2.6875 2.8311 2.8311 2.9227 2.9227 3.0303 3.0303 3.0912 3.0912 3.9960 3.9960 4.1231 4.1231 4.2455 4.2455 4.2569 4.2569 4.3129 4.3129 4.4003 4.4003 4.4756 4.4756 4.6147 4.6147 4.7210 4.7210 4.7406 4.7406 4.8693 4.8693 4.9394 4.9394 5.9544 5.9544 5.9939 5.9939 6.1600 6.1600 8.3081 8.3081 8.4528 8.4528 9.1595 9.1595 9.2773 9.2773 9.3172 9.3172 10.6651 10.6651 10.6832 10.6832 k = 0.5000 0.5000 0.3276 ( 5972 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9559 -25.9559 -25.9553 -25.9553 -6.4768 -6.4768 -6.3497 -6.3497 -6.2610 -6.2610 -6.2282 -6.2282 1.1938 1.1938 1.2753 1.2753 1.3223 1.3223 1.5205 1.5205 2.5302 2.5302 2.5352 2.5352 2.6746 2.6746 2.6987 2.6987 2.8237 2.8237 2.9349 2.9349 3.0328 3.0328 3.0880 3.0880 4.0012 4.0012 4.1320 4.1320 4.2498 4.2498 4.2557 4.2557 4.3154 4.3154 4.3986 4.3986 4.4809 4.4809 4.6034 4.6034 4.7117 4.7117 4.7263 4.7263 4.8615 4.8615 4.9267 4.9267 5.9913 5.9913 6.0286 6.0286 6.1700 6.1700 8.3136 8.3136 8.4453 8.4453 9.1706 9.1706 9.2690 9.2690 9.3085 9.3085 10.6375 10.6375 10.6575 10.6575 k = 0.5000 0.5000 0.3448 ( 5972 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9559 -25.9559 -25.9554 -25.9554 -6.4682 -6.4682 -6.3503 -6.3503 -6.2606 -6.2606 -6.2328 -6.2328 1.1901 1.1901 1.2691 1.2691 1.3131 1.3131 1.4936 1.4936 2.5384 2.5384 2.5424 2.5424 2.6863 2.6863 2.7095 2.7095 2.8165 2.8165 2.9450 2.9450 3.0356 3.0356 3.0845 3.0845 4.0049 4.0049 4.1429 4.1429 4.2536 4.2536 4.2550 4.2550 4.3182 4.3182 4.3959 4.3959 4.4862 4.4862 4.5934 4.5934 4.7012 4.7012 4.7143 4.7143 4.8539 4.8539 4.9129 4.9129 6.0267 6.0267 6.0616 6.0616 6.1797 6.1797 8.3208 8.3208 8.4382 8.4382 9.1782 9.1782 9.2594 9.2594 9.2982 9.2982 10.6137 10.6137 10.6357 10.6357 k = 0.5000 0.5000 0.3621 ( 5956 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9559 -25.9559 -25.9555 -25.9555 -6.4598 -6.4598 -6.3512 -6.3512 -6.2603 -6.2603 -6.2374 -6.2374 1.1860 1.1860 1.2647 1.2647 1.3047 1.3047 1.4684 1.4684 2.5463 2.5463 2.5496 2.5496 2.6973 2.6973 2.7195 2.7195 2.8100 2.8100 2.9530 2.9530 3.0389 3.0389 3.0808 3.0808 4.0073 4.0073 4.1555 4.1555 4.2538 4.2538 4.2578 4.2578 4.3213 4.3213 4.3921 4.3921 4.4913 4.4913 4.5850 4.5850 4.6895 4.6895 4.7052 4.7052 4.8466 4.8466 4.8985 4.8985 6.0600 6.0600 6.0924 6.0924 6.1890 6.1890 8.3294 8.3294 8.4316 8.4316 9.1826 9.1826 9.2490 9.2490 9.2867 9.2867 10.5945 10.5945 10.6176 10.6176 k = 0.5000 0.5000 0.3793 ( 5948 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9558 -25.9558 -25.9556 -25.9556 -6.4516 -6.4516 -6.3523 -6.3523 -6.2600 -6.2600 -6.2417 -6.2417 1.1817 1.1817 1.2620 1.2620 1.2971 1.2971 1.4451 1.4451 2.5539 2.5539 2.5565 2.5565 2.7075 2.7075 2.7284 2.7284 2.8044 2.8044 2.9590 2.9590 3.0423 3.0423 3.0770 3.0770 4.0088 4.0088 4.1690 4.1690 4.2533 4.2533 4.2610 4.2610 4.3245 4.3245 4.3871 4.3871 4.4964 4.4964 4.5779 4.5779 4.6780 4.6780 4.6978 4.6978 4.8397 4.8397 4.8836 4.8836 6.0908 6.0908 6.1202 6.1202 6.1982 6.1982 8.3389 8.3389 8.4255 8.4255 9.1844 9.1844 9.2381 9.2381 9.2742 9.2742 10.5799 10.5799 10.6028 10.6028 k = 0.5000 0.5000 0.3966 ( 5948 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9559 -25.9559 -25.9556 -25.9556 -6.4436 -6.4436 -6.3537 -6.3537 -6.2597 -6.2597 -6.2458 -6.2458 1.1775 1.1775 1.2609 1.2609 1.2903 1.2903 1.4238 1.4238 2.5610 2.5610 2.5631 2.5631 2.7167 2.7167 2.7357 2.7357 2.8000 2.8000 2.9633 2.9633 3.0459 3.0459 3.0732 3.0732 4.0096 4.0096 4.1829 4.1829 4.2529 4.2529 4.2638 4.2638 4.3278 4.3278 4.3810 4.3810 4.5014 4.5014 4.5718 4.5718 4.6679 4.6679 4.6913 4.6913 4.8334 4.8334 4.8689 4.8689 6.1185 6.1185 6.1444 6.1444 6.2073 6.2073 8.3490 8.3490 8.4199 8.4199 9.1842 9.1842 9.2273 9.2273 9.2611 9.2611 10.5696 10.5696 10.5909 10.5909 k = 0.5000 0.5000 0.4138 ( 5948 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9559 -25.9559 -25.9557 -25.9557 -6.4362 -6.4362 -6.3553 -6.3553 -6.2594 -6.2594 -6.2495 -6.2495 1.1735 1.1735 1.2612 1.2612 1.2845 1.2845 1.4046 1.4046 2.5674 2.5674 2.5690 2.5690 2.7248 2.7248 2.7409 2.7409 2.7974 2.7974 2.9663 2.9663 3.0493 3.0493 3.0695 3.0695 4.0100 4.0100 4.1968 4.1968 4.2526 4.2526 4.2662 4.2662 4.3310 4.3310 4.3741 4.3741 4.5064 4.5064 4.5664 4.5664 4.6599 4.6599 4.6856 4.6856 4.8277 4.8277 4.8546 4.8546 6.1429 6.1429 6.1642 6.1642 6.2165 6.2165 8.3590 8.3590 8.4149 8.4149 9.1828 9.1828 9.2171 9.2171 9.2478 9.2478 10.5630 10.5630 10.5817 10.5817 k = 0.5000 0.5000 0.4310 ( 5956 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9559 -25.9559 -25.9558 -25.9558 -6.4294 -6.4294 -6.3571 -6.3571 -6.2592 -6.2592 -6.2527 -6.2527 1.1699 1.1699 1.2626 1.2626 1.2796 1.2796 1.3877 1.3877 2.5730 2.5730 2.5742 2.5742 2.7316 2.7316 2.7438 2.7438 2.7966 2.7966 2.9682 2.9682 3.0523 3.0523 3.0662 3.0662 4.0102 4.0102 4.2102 4.2102 4.2523 4.2523 4.2681 4.2681 4.3339 4.3339 4.3665 4.3665 4.5116 4.5116 4.5610 4.5610 4.6546 4.6546 4.6805 4.6805 4.8228 4.8228 4.8416 4.8416 6.1634 6.1634 6.1793 6.1793 6.2259 6.2259 8.3686 8.3686 8.4105 8.4105 9.1810 9.1810 9.2082 9.2082 9.2349 9.2349 10.5595 10.5595 10.5745 10.5745 k = 0.5000 0.5000 0.4483 ( 5956 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9559 -25.9559 -25.9558 -25.9558 -6.4235 -6.4235 -6.3590 -6.3590 -6.2591 -6.2591 -6.2553 -6.2553 1.1669 1.1669 1.2649 1.2649 1.2758 1.2758 1.3736 1.3736 2.5777 2.5777 2.5784 2.5784 2.7370 2.7370 2.7449 2.7449 2.7973 2.7973 2.9693 2.9693 3.0549 3.0549 3.0634 3.0634 4.0103 4.0103 4.2224 4.2224 4.2519 4.2519 4.2696 4.2696 4.3366 4.3366 4.3590 4.3590 4.5171 4.5171 4.5552 4.5552 4.6519 4.6519 4.6759 4.6759 4.8189 4.8189 4.8304 4.8304 6.1797 6.1797 6.1898 6.1898 6.2349 6.2349 8.3773 8.3773 8.4066 8.4066 9.1793 9.1793 9.2013 9.2013 9.2229 9.2229 10.5580 10.5580 10.5692 10.5692 k = 0.5000 0.5000 0.4655 ( 5948 PWs) bands (ev): -61.6926 -61.6926 -34.6068 -34.6068 -25.9558 -25.9558 -25.9558 -25.9558 -6.4188 -6.4188 -6.3607 -6.3607 -6.2590 -6.2590 -6.2573 -6.2573 1.1647 1.1647 1.2674 1.2674 1.2730 1.2730 1.3626 1.3626 2.5812 2.5812 2.5815 2.5815 2.7410 2.7410 2.7448 2.7448 2.7986 2.7986 2.9700 2.9700 3.0568 3.0568 3.0612 3.0612 4.0103 4.0103 4.2328 4.2328 4.2511 4.2511 4.2706 4.2706 4.3388 4.3388 4.3522 4.3522 4.5229 4.5229 4.5490 4.5490 4.6514 4.6514 4.6719 4.6719 4.8160 4.8160 4.8217 4.8217 6.1916 6.1916 6.1964 6.1964 6.2425 6.2425 8.3847 8.3847 8.4030 8.4030 9.1780 9.1780 9.1969 9.1969 9.2124 9.2124 10.5580 10.5580 10.5653 10.5653 k = 0.5000 0.5000 0.4828 ( 5920 PWs) bands (ev): -61.6925 -61.6925 -34.6068 -34.6068 -25.9558 -25.9558 -25.9558 -25.9558 -6.4158 -6.4158 -6.3619 -6.3619 -6.2589 -6.2589 -6.2584 -6.2584 1.1633 1.1633 1.2694 1.2694 1.2713 1.2713 1.3555 1.3555 2.5834 2.5834 2.5835 2.5835 2.7435 2.7435 2.7444 2.7444 2.7998 2.7998 2.9703 2.9703 3.0581 3.0581 3.0597 3.0597 4.0104 4.0104 4.2410 4.2410 4.2496 4.2496 4.2713 4.2713 4.3409 4.3409 4.3469 4.3469 4.5292 4.5292 4.5424 4.5424 4.6521 4.6521 4.6689 4.6689 4.8143 4.8143 4.8162 4.8162 6.1989 6.1989 6.2001 6.2001 6.2474 6.2474 8.3907 8.3907 8.3994 8.3994 9.1773 9.1773 9.1959 9.1959 9.2041 9.2041 10.5589 10.5589 10.5624 10.5624 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -61.6925 -61.6925 -34.6067 -34.6067 -25.9558 -25.9558 -25.9558 -25.9558 -6.4147 -6.4147 -6.3623 -6.3623 -6.2589 -6.2589 -6.2589 -6.2589 1.1629 1.1629 1.2705 1.2705 1.2705 1.2705 1.3530 1.3530 2.5842 2.5842 2.5842 2.5842 2.7443 2.7443 2.7443 2.7443 2.8003 2.8003 2.9704 2.9704 3.0589 3.0589 3.0589 3.0589 4.0104 4.0104 4.2465 4.2465 4.2465 4.2465 4.2716 4.2716 4.3433 4.3433 4.3433 4.3433 4.5358 4.5358 4.5358 4.5358 4.6526 4.6526 4.6676 4.6676 4.8141 4.8141 4.8141 4.8141 6.2013 6.2013 6.2013 6.2013 6.2491 6.2491 8.3955 8.3955 8.3955 8.3955 9.1770 9.1770 9.1984 9.1984 9.1984 9.1984 10.5604 10.5604 10.5604 10.5604 Writing output data file TaCu3S4.save init_run : 2.65s CPU 13.77s WALL ( 1 calls) electrons : 1316.73s CPU 1331.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.24s CPU 1.52s WALL ( 1 calls) Called by electrons: c_bands : 1316.69s CPU 1330.65s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.92s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.11s CPU 0.60s WALL ( 1 calls) newd : 0.82s CPU 0.90s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.12s WALL ( 225 calls) cegterg : 1258.92s CPU 1270.19s WALL ( 625 calls) Called by sum_band: Called by *egterg: h_psi : 391.24s CPU 399.91s WALL ( 11054 calls) s_psi : 80.87s CPU 81.38s WALL ( 11054 calls) g_psi : 0.95s CPU 0.99s WALL ( 10204 calls) cdiaghg : 603.36s CPU 602.62s WALL ( 10429 calls) cegterg:over : 105.10s CPU 102.73s WALL ( 10204 calls) cegterg:upda : 30.23s CPU 32.56s WALL ( 10204 calls) cegterg:last : 21.84s CPU 22.23s WALL ( 1389 calls) Called by h_psi: h_psi:vloc : 245.28s CPU 251.28s WALL ( 11054 calls) h_psi:vnl : 145.47s CPU 147.54s WALL ( 11054 calls) add_vuspsi : 59.53s CPU 62.90s WALL ( 11054 calls) General routines calbec : 85.89s CPU 84.53s WALL ( 11054 calls) fft : 0.23s CPU 1.15s WALL ( 19 calls) ffts : 0.00s CPU 0.09s WALL ( 4 calls) fftw : 234.86s CPU 237.81s WALL ( 1370136 calls) interpolate : 0.01s CPU 0.12s WALL ( 4 calls) davcio : 0.02s CPU 1.55s WALL ( 450 calls) Parallel routines fft_scatter : 156.53s CPU 155.44s WALL ( 1370159 calls) PWSCF : 23m 5.78s CPU 25m 7.24s WALL This run was terminated on: 14:31:21 1Nov2015 =------------------------------------------------------------------------------= JOB DONE. 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