Program PWSCF v.5.1.1 starts on 30Oct2015 at 7:12: 2 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) = 10.4209 a.u. unit-cell volume = 1131.6573 (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)= 10.420894 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 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 53.9 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 63.8 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 74.0 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 84.5 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.2 secs Computing kpt #: 6 total cpu time spent up to now is 104.0 secs Computing kpt #: 7 total cpu time spent up to now is 110.8 secs Computing kpt #: 8 total cpu time spent up to now is 117.4 secs Computing kpt #: 9 total cpu time spent up to now is 123.6 secs Computing kpt #: 10 total cpu time spent up to now is 129.6 secs Computing kpt #: 11 total cpu time spent up to now is 135.1 secs Computing kpt #: 12 total cpu time spent up to now is 141.1 secs Computing kpt #: 13 total cpu time spent up to now is 146.8 secs Computing kpt #: 14 total cpu time spent up to now is 151.6 secs Computing kpt #: 15 total cpu time spent up to now is 156.5 secs Computing kpt #: 16 total cpu time spent up to now is 161.3 secs Computing kpt #: 17 total cpu time spent up to now is 166.1 secs Computing kpt #: 18 total cpu time spent up to now is 171.0 secs Computing kpt #: 19 total cpu time spent up to now is 175.9 secs Computing kpt #: 20 total cpu time spent up to now is 180.8 secs Computing kpt #: 21 total cpu time spent up to now is 185.6 secs Computing kpt #: 22 total cpu time spent up to now is 190.6 secs Computing kpt #: 23 total cpu time spent up to now is 195.6 secs Computing kpt #: 24 total cpu time spent up to now is 200.6 secs Computing kpt #: 25 total cpu time spent up to now is 205.6 secs Computing kpt #: 26 total cpu time spent up to now is 210.6 secs Computing kpt #: 27 total cpu time spent up to now is 215.5 secs Computing kpt #: 28 total cpu time spent up to now is 220.5 secs Computing kpt #: 29 total cpu time spent up to now is 225.4 secs Computing kpt #: 30 total cpu time spent up to now is 230.2 secs Computing kpt #: 31 total cpu time spent up to now is 235.1 secs Computing kpt #: 32 total cpu time spent up to now is 240.0 secs Computing kpt #: 33 total cpu time spent up to now is 245.0 secs Computing kpt #: 34 total cpu time spent up to now is 250.1 secs Computing kpt #: 35 total cpu time spent up to now is 255.1 secs Computing kpt #: 36 total cpu time spent up to now is 260.4 secs Computing kpt #: 37 total cpu time spent up to now is 265.6 secs Computing kpt #: 38 total cpu time spent up to now is 270.7 secs Computing kpt #: 39 total cpu time spent up to now is 275.8 secs Computing kpt #: 40 total cpu time spent up to now is 280.9 secs Computing kpt #: 41 total cpu time spent up to now is 286.0 secs Computing kpt #: 42 total cpu time spent up to now is 291.0 secs Computing kpt #: 43 total cpu time spent up to now is 296.0 secs Computing kpt #: 44 total cpu time spent up to now is 300.8 secs Computing kpt #: 45 total cpu time spent up to now is 305.7 secs Computing kpt #: 46 total cpu time spent up to now is 310.4 secs Computing kpt #: 47 total cpu time spent up to now is 315.1 secs Computing kpt #: 48 total cpu time spent up to now is 319.7 secs Computing kpt #: 49 total cpu time spent up to now is 324.4 secs Computing kpt #: 50 total cpu time spent up to now is 329.0 secs Computing kpt #: 51 total cpu time spent up to now is 333.6 secs Computing kpt #: 52 total cpu time spent up to now is 338.1 secs Computing kpt #: 53 total cpu time spent up to now is 342.8 secs Computing kpt #: 54 total cpu time spent up to now is 347.3 secs Computing kpt #: 55 total cpu time spent up to now is 351.8 secs Computing kpt #: 56 total cpu time spent up to now is 356.4 secs Computing kpt #: 57 total cpu time spent up to now is 361.1 secs Computing kpt #: 58 total cpu time spent up to now is 365.9 secs Computing kpt #: 59 total cpu time spent up to now is 370.7 secs Computing kpt #: 60 total cpu time spent up to now is 375.5 secs Computing kpt #: 61 total cpu time spent up to now is 380.7 secs Computing kpt #: 62 total cpu time spent up to now is 386.8 secs Computing kpt #: 63 total cpu time spent up to now is 392.7 secs Computing kpt #: 64 total cpu time spent up to now is 397.5 secs Computing kpt #: 65 total cpu time spent up to now is 402.2 secs Computing kpt #: 66 total cpu time spent up to now is 406.8 secs Computing kpt #: 67 total cpu time spent up to now is 411.5 secs Computing kpt #: 68 total cpu time spent up to now is 416.1 secs Computing kpt #: 69 total cpu time spent up to now is 420.7 secs Computing kpt #: 70 total cpu time spent up to now is 425.4 secs Computing kpt #: 71 total cpu time spent up to now is 430.1 secs Computing kpt #: 72 total cpu time spent up to now is 434.9 secs Computing kpt #: 73 total cpu time spent up to now is 439.9 secs Computing kpt #: 74 total cpu time spent up to now is 444.8 secs Computing kpt #: 75 total cpu time spent up to now is 449.9 secs Computing kpt #: 76 total cpu time spent up to now is 454.9 secs Computing kpt #: 77 total cpu time spent up to now is 460.1 secs Computing kpt #: 78 total cpu time spent up to now is 465.6 secs Computing kpt #: 79 total cpu time spent up to now is 471.6 secs Computing kpt #: 80 total cpu time spent up to now is 477.1 secs Computing kpt #: 81 total cpu time spent up to now is 482.7 secs Computing kpt #: 82 total cpu time spent up to now is 488.4 secs Computing kpt #: 83 total cpu time spent up to now is 494.0 secs Computing kpt #: 84 total cpu time spent up to now is 499.6 secs Computing kpt #: 85 total cpu time spent up to now is 505.4 secs Computing kpt #: 86 total cpu time spent up to now is 510.8 secs Computing kpt #: 87 total cpu time spent up to now is 515.9 secs Computing kpt #: 88 total cpu time spent up to now is 521.9 secs Computing kpt #: 89 total cpu time spent up to now is 527.2 secs Computing kpt #: 90 total cpu time spent up to now is 536.9 secs Computing kpt #: 91 total cpu time spent up to now is 546.9 secs Computing kpt #: 92 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 557.5 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 568.3 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 578.8 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 589.5 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 600.2 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 611.1 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 621.7 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 632.4 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 643.2 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 653.8 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 663.9 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 674.3 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 685.0 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 696.9 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 707.1 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 717.5 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 727.8 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 738.1 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 748.7 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 759.1 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 769.6 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 780.0 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 790.4 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 800.7 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 811.1 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 821.5 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 831.8 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 842.0 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 852.3 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 862.9 secs Computing kpt #: 122 total cpu time spent up to now is 870.5 secs Computing kpt #: 123 total cpu time spent up to now is 876.6 secs Computing kpt #: 124 total cpu time spent up to now is 882.1 secs Computing kpt #: 125 total cpu time spent up to now is 888.0 secs Computing kpt #: 126 total cpu time spent up to now is 893.4 secs Computing kpt #: 127 total cpu time spent up to now is 898.7 secs Computing kpt #: 128 total cpu time spent up to now is 904.9 secs Computing kpt #: 129 total cpu time spent up to now is 910.0 secs Computing kpt #: 130 total cpu time spent up to now is 915.8 secs Computing kpt #: 131 total cpu time spent up to now is 920.7 secs Computing kpt #: 132 total cpu time spent up to now is 925.7 secs Computing kpt #: 133 total cpu time spent up to now is 930.7 secs Computing kpt #: 134 total cpu time spent up to now is 935.8 secs Computing kpt #: 135 total cpu time spent up to now is 940.9 secs Computing kpt #: 136 total cpu time spent up to now is 945.9 secs Computing kpt #: 137 total cpu time spent up to now is 950.8 secs Computing kpt #: 138 total cpu time spent up to now is 955.6 secs Computing kpt #: 139 total cpu time spent up to now is 960.4 secs Computing kpt #: 140 total cpu time spent up to now is 965.2 secs Computing kpt #: 141 total cpu time spent up to now is 970.4 secs Computing kpt #: 142 total cpu time spent up to now is 975.1 secs Computing kpt #: 143 total cpu time spent up to now is 979.8 secs Computing kpt #: 144 total cpu time spent up to now is 985.5 secs Computing kpt #: 145 total cpu time spent up to now is 991.4 secs Computing kpt #: 146 total cpu time spent up to now is 996.4 secs Computing kpt #: 147 total cpu time spent up to now is 1001.3 secs Computing kpt #: 148 total cpu time spent up to now is 1006.0 secs Computing kpt #: 149 total cpu time spent up to now is 1010.7 secs Computing kpt #: 150 total cpu time spent up to now is 1015.4 secs Computing kpt #: 151 total cpu time spent up to now is 1020.2 secs Computing kpt #: 152 total cpu time spent up to now is 1025.0 secs Computing kpt #: 153 total cpu time spent up to now is 1029.5 secs Computing kpt #: 154 total cpu time spent up to now is 1034.2 secs Computing kpt #: 155 total cpu time spent up to now is 1038.8 secs Computing kpt #: 156 total cpu time spent up to now is 1043.5 secs Computing kpt #: 157 total cpu time spent up to now is 1048.4 secs Computing kpt #: 158 total cpu time spent up to now is 1053.2 secs Computing kpt #: 159 total cpu time spent up to now is 1057.9 secs Computing kpt #: 160 total cpu time spent up to now is 1062.7 secs Computing kpt #: 161 total cpu time spent up to now is 1067.5 secs Computing kpt #: 162 total cpu time spent up to now is 1072.2 secs Computing kpt #: 163 total cpu time spent up to now is 1076.9 secs Computing kpt #: 164 total cpu time spent up to now is 1081.6 secs Computing kpt #: 165 total cpu time spent up to now is 1086.3 secs Computing kpt #: 166 total cpu time spent up to now is 1091.0 secs Computing kpt #: 167 total cpu time spent up to now is 1095.8 secs Computing kpt #: 168 total cpu time spent up to now is 1100.4 secs Computing kpt #: 169 total cpu time spent up to now is 1104.9 secs Computing kpt #: 170 total cpu time spent up to now is 1109.8 secs Computing kpt #: 171 total cpu time spent up to now is 1114.4 secs Computing kpt #: 172 total cpu time spent up to now is 1119.1 secs Computing kpt #: 173 total cpu time spent up to now is 1124.0 secs Computing kpt #: 174 total cpu time spent up to now is 1128.7 secs Computing kpt #: 175 total cpu time spent up to now is 1133.4 secs Computing kpt #: 176 total cpu time spent up to now is 1138.0 secs Computing kpt #: 177 total cpu time spent up to now is 1142.6 secs Computing kpt #: 178 total cpu time spent up to now is 1147.2 secs Computing kpt #: 179 total cpu time spent up to now is 1151.8 secs Computing kpt #: 180 total cpu time spent up to now is 1156.6 secs Computing kpt #: 181 total cpu time spent up to now is 1161.4 secs Computing kpt #: 182 total cpu time spent up to now is 1166.2 secs Computing kpt #: 183 total cpu time spent up to now is 1171.0 secs Computing kpt #: 184 total cpu time spent up to now is 1176.1 secs Computing kpt #: 185 total cpu time spent up to now is 1181.2 secs Computing kpt #: 186 total cpu time spent up to now is 1186.3 secs Computing kpt #: 187 total cpu time spent up to now is 1191.4 secs Computing kpt #: 188 total cpu time spent up to now is 1196.8 secs Computing kpt #: 189 total cpu time spent up to now is 1202.1 secs Computing kpt #: 190 total cpu time spent up to now is 1207.1 secs Computing kpt #: 191 total cpu time spent up to now is 1212.7 secs Computing kpt #: 192 total cpu time spent up to now is 1217.8 secs Computing kpt #: 193 total cpu time spent up to now is 1222.9 secs Computing kpt #: 194 total cpu time spent up to now is 1228.0 secs Computing kpt #: 195 total cpu time spent up to now is 1232.9 secs Computing kpt #: 196 total cpu time spent up to now is 1237.9 secs Computing kpt #: 197 total cpu time spent up to now is 1242.8 secs Computing kpt #: 198 total cpu time spent up to now is 1247.9 secs Computing kpt #: 199 total cpu time spent up to now is 1252.8 secs Computing kpt #: 200 total cpu time spent up to now is 1257.8 secs Computing kpt #: 201 total cpu time spent up to now is 1262.7 secs Computing kpt #: 202 total cpu time spent up to now is 1267.6 secs Computing kpt #: 203 total cpu time spent up to now is 1272.6 secs Computing kpt #: 204 total cpu time spent up to now is 1277.4 secs Computing kpt #: 205 total cpu time spent up to now is 1282.3 secs Computing kpt #: 206 total cpu time spent up to now is 1289.1 secs Computing kpt #: 207 total cpu time spent up to now is 1294.4 secs Computing kpt #: 208 total cpu time spent up to now is 1299.4 secs Computing kpt #: 209 total cpu time spent up to now is 1304.3 secs Computing kpt #: 210 total cpu time spent up to now is 1309.3 secs Computing kpt #: 211 total cpu time spent up to now is 1314.2 secs Computing kpt #: 212 total cpu time spent up to now is 1319.1 secs Computing kpt #: 213 total cpu time spent up to now is 1324.0 secs Computing kpt #: 214 total cpu time spent up to now is 1328.8 secs Computing kpt #: 215 total cpu time spent up to now is 1333.6 secs Computing kpt #: 216 total cpu time spent up to now is 1338.2 secs Computing kpt #: 217 total cpu time spent up to now is 1343.0 secs Computing kpt #: 218 total cpu time spent up to now is 1347.8 secs Computing kpt #: 219 total cpu time spent up to now is 1352.5 secs Computing kpt #: 220 total cpu time spent up to now is 1357.1 secs Computing kpt #: 221 total cpu time spent up to now is 1361.7 secs Computing kpt #: 222 total cpu time spent up to now is 1366.2 secs Computing kpt #: 223 total cpu time spent up to now is 1370.8 secs Computing kpt #: 224 total cpu time spent up to now is 1375.4 secs Computing kpt #: 225 total cpu time spent up to now is 1379.7 secs ethr = 1.43E-11, avg # of iterations = 45.1 total cpu time spent up to now is 1379.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9074 -25.9074 -25.9074 -25.9074 -7.2267 -7.2267 -6.1699 -6.1699 -6.0627 -6.0627 -6.0627 -6.0627 0.6295 0.6295 0.6295 0.6295 1.1660 1.1660 2.2672 2.2672 2.2672 2.2672 2.3234 2.3234 2.9434 2.9434 2.9815 2.9815 2.9815 2.9815 3.3446 3.3446 3.4887 3.4887 3.4887 3.4887 3.5973 3.5973 3.5973 3.5973 4.2172 4.2172 4.3977 4.3977 4.3977 4.3977 4.4970 4.4970 4.4970 4.4970 4.5289 4.5289 4.8163 4.8163 4.9709 4.9709 4.9709 4.9709 5.0017 5.0017 6.0049 6.0049 6.0049 6.0049 6.1113 6.1113 8.3089 8.3089 8.3297 8.3297 8.3297 8.3297 8.3865 8.3865 8.6642 8.6642 8.6642 8.6642 12.2458 12.2458 k = 0.0000 0.0172-0.0000 ( 6031 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9074 -25.9074 -25.9074 -25.9074 -7.2260 -7.2260 -6.1701 -6.1701 -6.0632 -6.0632 -6.0627 -6.0627 0.6298 0.6298 0.6310 0.6310 1.1669 1.1669 2.2663 2.2663 2.2675 2.2675 2.3232 2.3232 2.9427 2.9427 2.9801 2.9801 2.9815 2.9815 3.3434 3.3434 3.4847 3.4847 3.4894 3.4894 3.5978 3.5978 3.6014 3.6014 4.2169 4.2169 4.3894 4.3894 4.4053 4.4053 4.4915 4.4915 4.5022 4.5022 4.5287 4.5287 4.8166 4.8166 4.9675 4.9675 4.9741 4.9741 5.0016 5.0016 6.0028 6.0028 6.0043 6.0043 6.1100 6.1100 8.3033 8.3033 8.3226 8.3226 8.3324 8.3324 8.4041 8.4041 8.6595 8.6595 8.6707 8.6707 12.2438 12.2438 k = 0.0000 0.0345-0.0000 ( 6007 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9074 -25.9074 -25.9073 -25.9073 -7.2241 -7.2241 -6.1709 -6.1709 -6.0648 -6.0648 -6.0627 -6.0627 0.6317 0.6317 0.6349 0.6349 1.1696 1.1696 2.2638 2.2638 2.2685 2.2685 2.3225 2.3225 2.9405 2.9405 2.9767 2.9767 2.9809 2.9809 3.3394 3.3394 3.4761 3.4761 3.4896 3.4896 3.5995 3.5995 3.6124 3.6124 4.2160 4.2160 4.3807 4.3807 4.4119 4.4119 4.4860 4.4860 4.5073 4.5073 4.5280 4.5280 4.8174 4.8174 4.9639 4.9639 4.9773 4.9773 5.0014 5.0014 5.9966 5.9966 6.0025 6.0025 6.1060 6.1060 8.2838 8.2838 8.3241 8.3241 8.3372 8.3372 8.4403 8.4403 8.6563 8.6563 8.6793 8.6793 12.2389 12.2389 k = 0.0000 0.0517-0.0000 ( 5999 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9074 -25.9074 -25.9074 -25.9074 -7.2210 -7.2210 -6.1722 -6.1722 -6.0673 -6.0673 -6.0627 -6.0627 0.6348 0.6348 0.6413 0.6413 1.1741 1.1741 2.2591 2.2591 2.2702 2.2702 2.3218 2.3218 2.9364 2.9364 2.9716 2.9716 2.9798 2.9798 3.3324 3.3324 3.4649 3.4649 3.4898 3.4898 3.6021 3.6021 3.6279 3.6279 4.2144 4.2144 4.3718 4.3718 4.4170 4.4170 4.4804 4.4804 4.5122 4.5122 4.5271 4.5271 4.8187 4.8187 4.9600 4.9600 4.9803 4.9803 5.0011 5.0011 5.9863 5.9863 5.9996 5.9996 6.0998 6.0998 8.2617 8.2617 8.3318 8.3318 8.3449 8.3449 8.4843 8.4843 8.6545 8.6545 8.6903 8.6903 12.2261 12.2261 k = 0.0000 0.0690-0.0000 ( 5991 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9074 -25.9074 -25.9073 -25.9073 -7.2166 -7.2166 -6.1742 -6.1742 -6.0707 -6.0707 -6.0627 -6.0627 0.6393 0.6393 0.6502 0.6502 1.1803 1.1803 2.2518 2.2518 2.2726 2.2726 2.3215 2.3215 2.9295 2.9295 2.9658 2.9658 2.9783 2.9783 3.3219 3.3219 3.4533 3.4533 3.4902 3.4902 3.6056 3.6056 3.6460 3.6460 4.2121 4.2121 4.3629 4.3629 4.4201 4.4201 4.4753 4.4753 4.5165 4.5165 4.5264 4.5264 4.8203 4.8203 4.9556 4.9556 4.9830 4.9830 5.0010 5.0010 5.9718 5.9718 5.9956 5.9956 6.0917 6.0917 8.2414 8.2414 8.3432 8.3432 8.3556 8.3556 8.5337 8.5337 8.6539 8.6539 8.7040 8.7040 12.2015 12.2015 k = 0.0000 0.0862-0.0000 ( 5975 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9074 -25.9074 -25.9073 -25.9073 -7.2109 -7.2109 -6.1769 -6.1769 -6.0748 -6.0748 -6.0627 -6.0627 0.6450 0.6450 0.6615 0.6615 1.1884 1.1884 2.2417 2.2417 2.2755 2.2755 2.3220 2.3220 2.9190 2.9190 2.9601 2.9601 2.9763 2.9763 3.3077 3.3077 3.4426 3.4426 3.4906 3.4906 3.6100 3.6100 3.6658 3.6658 4.2092 4.2092 4.3542 4.3542 4.4203 4.4203 4.4713 4.4713 4.5190 4.5190 4.5277 4.5277 4.8220 4.8220 4.9509 4.9509 4.9851 4.9851 5.0016 5.0016 5.9531 5.9531 5.9906 5.9906 6.0822 6.0822 8.2232 8.2232 8.3574 8.3574 8.3690 8.3690 8.5868 8.5868 8.6550 8.6550 8.7213 8.7213 12.1707 12.1707 k = 0.0000 0.1034-0.0000 ( 5963 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9074 -25.9074 -25.9073 -25.9073 -7.2041 -7.2041 -6.1805 -6.1805 -6.0794 -6.0794 -6.0627 -6.0627 0.6518 0.6518 0.6752 0.6752 1.1982 1.1982 2.2287 2.2287 2.2791 2.2791 2.3234 2.3234 2.9049 2.9049 2.9552 2.9552 2.9740 2.9740 3.2896 3.2896 3.4335 3.4335 3.4912 3.4912 3.6149 3.6149 3.6867 3.6867 4.2057 4.2057 4.3457 4.3457 4.4172 4.4172 4.4688 4.4688 4.5188 4.5188 4.5314 4.5314 4.8237 4.8237 4.9458 4.9458 4.9861 4.9861 5.0034 5.0034 5.9306 5.9306 5.9847 5.9847 6.0717 6.0717 8.2072 8.2072 8.3739 8.3739 8.3854 8.3854 8.6373 8.6373 8.6619 8.6619 8.7436 8.7436 12.1357 12.1357 k = 0.0000 0.1207-0.0000 ( 5967 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9075 -25.9075 -25.9073 -25.9073 -7.1961 -7.1961 -6.1851 -6.1851 -6.0845 -6.0845 -6.0627 -6.0627 0.6599 0.6599 0.6913 0.6913 1.2098 1.2098 2.2128 2.2128 2.2832 2.2832 2.3258 2.3258 2.8873 2.8873 2.9508 2.9508 2.9712 2.9712 3.2677 3.2677 3.4260 3.4260 3.4918 3.4918 3.6205 3.6205 3.7083 3.7083 4.2014 4.2014 4.3376 4.3376 4.4109 4.4109 4.4677 4.4677 4.5176 4.5176 4.5362 4.5362 4.8252 4.8252 4.9403 4.9403 4.9860 4.9860 5.0065 5.0065 5.9045 5.9045 5.9781 5.9781 6.0605 6.0605 8.1930 8.1930 8.3919 8.3919 8.4047 8.4047 8.6536 8.6536 8.7009 8.7009 8.7759 8.7759 12.0982 12.0982 k = 0.0000 0.1379-0.0000 ( 5959 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9076 -25.9076 -25.9073 -25.9073 -7.1869 -7.1869 -6.1910 -6.1910 -6.0896 -6.0896 -6.0628 -6.0628 0.6690 0.6690 0.7097 0.7097 1.2232 1.2232 2.1942 2.1942 2.2879 2.2879 2.3290 2.3290 2.8669 2.8669 2.9466 2.9466 2.9682 2.9682 3.2425 3.2425 3.4198 3.4198 3.4925 3.4925 3.6264 3.6264 3.7306 3.7306 4.1965 4.1965 4.3299 4.3299 4.4023 4.4023 4.4675 4.4675 4.5163 4.5163 4.5411 4.5411 4.8265 4.8265 4.9346 4.9346 4.9850 4.9850 5.0108 5.0108 5.8755 5.8755 5.9708 5.9708 6.0487 6.0487 8.1803 8.1803 8.4107 8.4107 8.4269 8.4269 8.6586 8.6586 8.7417 8.7417 8.8257 8.8257 12.0590 12.0590 k = 0.0000 0.1552-0.0000 ( 5947 PWs) bands (ev): -61.6193 -61.6193 -34.5458 -34.5458 -25.9077 -25.9077 -25.9073 -25.9073 -7.1767 -7.1767 -6.1983 -6.1983 -6.0946 -6.0946 -6.0628 -6.0628 0.6791 0.6791 0.7302 0.7302 1.2384 1.2384 2.1730 2.1730 2.2931 2.2931 2.3330 2.3330 2.8441 2.8441 2.9427 2.9427 2.9648 2.9648 3.2143 3.2143 3.4148 3.4148 3.4934 3.4934 3.6328 3.6328 3.7533 3.7533 4.1911 4.1911 4.3227 4.3227 4.3920 4.3920 4.4673 4.4673 4.5149 4.5149 4.5458 4.5458 4.8276 4.8276 4.9288 4.9288 4.9837 4.9837 5.0157 5.0157 5.8440 5.8440 5.9629 5.9629 6.0365 6.0365 8.1689 8.1689 8.4299 8.4299 8.4515 8.4515 8.6639 8.6639 8.7732 8.7732 8.8915 8.8915 12.0191 12.0191 k = 0.0000 0.1724-0.0000 ( 5963 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9078 -25.9078 -25.9073 -25.9073 -7.1653 -7.1653 -6.2072 -6.2072 -6.0993 -6.0993 -6.0629 -6.0629 0.6902 0.6902 0.7529 0.7529 1.2554 1.2554 2.1496 2.1496 2.2988 2.2988 2.3376 2.3376 2.8192 2.8192 2.9386 2.9386 2.9611 2.9611 3.1834 3.1834 3.4104 3.4104 3.4943 3.4943 3.6392 3.6392 3.7765 3.7765 4.1852 4.1852 4.3160 4.3160 4.3807 4.3807 4.4668 4.4668 4.5136 4.5136 4.5500 4.5500 4.8283 4.8283 4.9229 4.9229 4.9823 4.9823 5.0211 5.0211 5.8106 5.8106 5.9546 5.9546 6.0240 6.0240 8.1586 8.1586 8.4490 8.4490 8.4781 8.4781 8.6706 8.6706 8.8012 8.8012 8.9663 8.9663 11.9793 11.9793 k = 0.0000 0.1897-0.0000 ( 5963 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9079 -25.9079 -25.9073 -25.9073 -7.1530 -7.1530 -6.2177 -6.2177 -6.1035 -6.1035 -6.0629 -6.0629 0.7022 0.7022 0.7776 0.7776 1.2742 1.2742 2.1240 2.1240 2.3049 2.3049 2.3427 2.3427 2.7928 2.7928 2.9344 2.9344 2.9572 2.9572 3.1500 3.1500 3.4066 3.4066 3.4952 3.4952 3.6457 3.6457 3.8001 3.8001 4.1790 4.1790 4.3097 4.3097 4.3689 4.3689 4.4658 4.4658 4.5124 4.5124 4.5534 4.5534 4.8288 4.8288 4.9170 4.9170 4.9812 4.9812 5.0268 5.0268 5.7758 5.7758 5.9461 5.9461 6.0114 6.0114 8.1491 8.1491 8.4677 8.4677 8.5062 8.5062 8.6792 8.6792 8.8283 8.8283 9.0464 9.0464 11.9402 11.9402 k = 0.0000 0.2069-0.0000 ( 5971 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9081 -25.9081 -25.9073 -25.9073 -7.1397 -7.1397 -6.2297 -6.2297 -6.1071 -6.1071 -6.0629 -6.0629 0.7150 0.7150 0.8042 0.8042 1.2947 1.2947 2.0964 2.0964 2.3113 2.3113 2.3482 2.3482 2.7652 2.7652 2.9302 2.9302 2.9531 2.9531 3.1146 3.1146 3.4032 3.4032 3.4963 3.4963 3.6523 3.6523 3.8240 3.8240 4.1725 4.1725 4.3038 4.3038 4.3569 4.3569 4.4642 4.4642 4.5114 4.5114 4.5558 4.5558 4.8292 4.8292 4.9113 4.9113 4.9805 4.9805 5.0326 5.0326 5.7402 5.7402 5.9374 5.9374 5.9988 5.9988 8.1402 8.1402 8.4855 8.4855 8.5354 8.5354 8.6897 8.6897 8.8555 8.8555 9.1303 9.1303 11.9023 11.9023 k = 0.0000 0.2241-0.0000 ( 5971 PWs) bands (ev): -61.6194 -61.6194 -34.5459 -34.5459 -25.9082 -25.9082 -25.9073 -25.9073 -7.1255 -7.1255 -6.2433 -6.2433 -6.1102 -6.1102 -6.0630 -6.0630 0.7285 0.7285 0.8325 0.8325 1.3169 1.3169 2.0671 2.0671 2.3180 2.3180 2.3541 2.3541 2.7365 2.7365 2.9259 2.9259 2.9488 2.9488 3.0771 3.0771 3.4001 3.4001 3.4975 3.4975 3.6588 3.6588 3.8482 3.8482 4.1659 4.1659 4.2982 4.2982 4.3449 4.3449 4.4619 4.4619 4.5105 4.5105 4.5570 4.5570 4.8294 4.8294 4.9059 4.9059 4.9804 4.9804 5.0385 5.0385 5.7040 5.7040 5.9286 5.9286 5.9862 5.9862 8.1320 8.1320 8.5019 8.5019 8.5653 8.5653 8.7023 8.7023 8.8829 8.8829 9.2170 9.2170 11.8658 11.8658 k = 0.0000 0.2414-0.0000 ( 5955 PWs) bands (ev): -61.6194 -61.6194 -34.5459 -34.5459 -25.9083 -25.9083 -25.9073 -25.9073 -7.1105 -7.1105 -6.2582 -6.2582 -6.1128 -6.1128 -6.0630 -6.0630 0.7425 0.7425 0.8626 0.8626 1.3408 1.3408 2.0362 2.0362 2.3249 2.3249 2.3602 2.3602 2.7073 2.7073 2.9215 2.9215 2.9444 2.9444 3.0380 3.0380 3.3972 3.3972 3.4987 3.4987 3.6652 3.6652 3.8727 3.8727 4.1594 4.1594 4.2930 4.2930 4.3333 4.3333 4.4589 4.4589 4.5097 4.5097 4.5570 4.5570 4.8295 4.8295 4.9007 4.9007 4.9812 4.9812 5.0444 5.0444 5.6678 5.6678 5.9199 5.9199 5.9738 5.9738 8.1242 8.1242 8.5168 8.5168 8.5956 8.5956 8.7171 8.7171 8.9103 8.9103 9.3058 9.3058 11.8313 11.8313 k = 0.0000 0.2586-0.0000 ( 5954 PWs) bands (ev): -61.6194 -61.6194 -34.5459 -34.5459 -25.9084 -25.9084 -25.9073 -25.9073 -7.0949 -7.0949 -6.2743 -6.2743 -6.1149 -6.1149 -6.0631 -6.0631 0.7570 0.7570 0.8941 0.8941 1.3662 1.3662 2.0039 2.0039 2.3320 2.3320 2.3664 2.3664 2.6778 2.6778 2.9170 2.9170 2.9397 2.9397 2.9975 2.9975 3.3945 3.3945 3.4999 3.4999 3.6714 3.6714 3.8973 3.8973 4.1530 4.1530 4.2879 4.2879 4.3219 4.3219 4.4553 4.4553 4.5088 4.5088 4.5555 4.5555 4.8295 4.8295 4.8959 4.8959 4.9830 4.9830 5.0501 5.0501 5.6319 5.6319 5.9114 5.9114 5.9617 5.9617 8.1168 8.1168 8.5299 8.5299 8.6257 8.6257 8.7337 8.7337 8.9375 8.9375 9.3960 9.3960 11.7988 11.7988 k = 0.0000 0.2759-0.0000 ( 5954 PWs) bands (ev): -61.6194 -61.6194 -34.5459 -34.5459 -25.9085 -25.9085 -25.9073 -25.9073 -7.0786 -7.0786 -6.2914 -6.2914 -6.1167 -6.1167 -6.0631 -6.0631 0.7717 0.7717 0.9270 0.9270 1.3931 1.3931 1.9703 1.9703 2.3391 2.3391 2.3727 2.3727 2.6482 2.6482 2.9122 2.9122 2.9343 2.9343 2.9568 2.9568 3.3919 3.3919 3.5012 3.5012 3.6774 3.6774 3.9220 3.9220 4.1468 4.1468 4.2829 4.2829 4.3111 4.3111 4.4511 4.4511 4.5080 4.5080 4.5524 4.5524 4.8294 4.8294 4.8913 4.8913 4.9859 4.9859 5.0557 5.0557 5.5964 5.5964 5.9030 5.9030 5.9501 5.9501 8.1098 8.1098 8.5415 8.5415 8.6554 8.6554 8.7517 8.7517 8.9644 8.9644 9.4871 9.4871 11.7686 11.7686 k = 0.0000 0.2931-0.0000 ( 5950 PWs) bands (ev): -61.6193 -61.6193 -34.5459 -34.5459 -25.9086 -25.9086 -25.9073 -25.9073 -7.0618 -7.0618 -6.3092 -6.3092 -6.1181 -6.1181 -6.0631 -6.0631 0.7866 0.7866 0.9611 0.9611 1.4213 1.4213 1.9356 1.9356 2.3463 2.3463 2.3790 2.3790 2.6190 2.6190 2.9029 2.9029 2.9150 2.9150 2.9335 2.9335 3.3894 3.3894 3.5025 3.5025 3.6831 3.6831 3.9467 3.9467 4.1408 4.1408 4.2779 4.2779 4.3010 4.3010 4.4464 4.4464 4.5072 4.5072 4.5477 4.5477 4.8293 4.8293 4.8871 4.8871 4.9902 4.9902 5.0611 5.0611 5.5617 5.5617 5.8950 5.8950 5.9389 5.9389 8.1031 8.1031 8.5515 8.5515 8.6844 8.6844 8.7707 8.7707 8.9905 8.9905 9.5782 9.5782 11.7407 11.7407 k = 0.0000 0.3103-0.0000 ( 5942 PWs) bands (ev): -61.6193 -61.6193 -34.5459 -34.5459 -25.9087 -25.9087 -25.9072 -25.9072 -7.0447 -7.0447 -6.3276 -6.3276 -6.1193 -6.1193 -6.0632 -6.0632 0.8014 0.8014 0.9964 0.9964 1.4505 1.4505 1.9002 1.9002 2.3534 2.3534 2.3852 2.3852 2.5905 2.5905 2.8652 2.8652 2.9058 2.9058 2.9281 2.9281 3.3870 3.3870 3.5038 3.5038 3.6885 3.6885 3.9715 3.9715 4.1353 4.1353 4.2728 4.2728 4.2918 4.2918 4.4412 4.4412 4.5064 4.5064 4.5416 4.5416 4.8291 4.8291 4.8832 4.8832 4.9958 4.9958 5.0663 5.0663 5.5280 5.5280 5.8874 5.8874 5.9284 5.9284 8.0968 8.0968 8.5604 8.5604 8.7123 8.7123 8.7900 8.7900 9.0157 9.0157 9.6688 9.6688 11.7152 11.7152 k = 0.0000 0.3276-0.0000 ( 5942 PWs) bands (ev): -61.6193 -61.6193 -34.5459 -34.5459 -25.9088 -25.9088 -25.9073 -25.9073 -7.0274 -7.0274 -6.3462 -6.3462 -6.1202 -6.1202 -6.0632 -6.0632 0.8159 0.8159 1.0325 1.0325 1.4804 1.4804 1.8641 1.8641 2.3602 2.3602 2.3911 2.3911 2.5628 2.5628 2.8216 2.8216 2.9012 2.9012 2.9238 2.9238 3.3848 3.3848 3.5050 3.5050 3.6935 3.6935 3.9960 3.9960 4.1302 4.1302 4.2673 4.2673 4.2837 4.2837 4.4358 4.4358 4.5055 4.5055 4.5343 4.5343 4.8288 4.8288 4.8795 4.8795 5.0027 5.0027 5.0714 5.0714 5.4954 5.4954 5.8802 5.8802 5.9186 5.9186 8.0908 8.0908 8.5681 8.5681 8.7387 8.7387 8.8092 8.8092 9.0397 9.0397 9.7580 9.7580 11.6921 11.6921 k = 0.0000 0.3448-0.0000 ( 5946 PWs) bands (ev): -61.6193 -61.6193 -34.5459 -34.5459 -25.9089 -25.9089 -25.9073 -25.9073 -7.0101 -7.0101 -6.3649 -6.3649 -6.1210 -6.1210 -6.0633 -6.0633 0.8300 0.8300 1.0695 1.0695 1.5105 1.5105 1.8279 1.8279 2.3668 2.3668 2.3968 2.3968 2.5366 2.5366 2.7777 2.7777 2.8972 2.8972 2.9197 2.9197 3.3827 3.3827 3.5062 3.5062 3.6981 3.6981 4.0203 4.0203 4.1256 4.1256 4.2615 4.2615 4.2768 4.2768 4.4301 4.4301 4.5046 4.5046 4.5257 4.5257 4.8285 4.8285 4.8761 4.8761 5.0106 5.0106 5.0764 5.0764 5.4641 5.4641 5.8736 5.8736 5.9095 5.9095 8.0852 8.0852 8.5749 8.5749 8.7636 8.7636 8.8278 8.8278 9.0622 9.0622 9.8450 9.8450 11.6715 11.6715 k = 0.0000 0.3621-0.0000 ( 5950 PWs) bands (ev): -61.6193 -61.6193 -34.5459 -34.5459 -25.9090 -25.9090 -25.9073 -25.9073 -6.9931 -6.9931 -6.3833 -6.3833 -6.1216 -6.1216 -6.0633 -6.0633 0.8435 0.8435 1.1070 1.1070 1.5400 1.5400 1.7919 1.7919 2.3730 2.3730 2.4021 2.4021 2.5119 2.5119 2.7344 2.7344 2.8935 2.8935 2.9160 2.9160 3.3807 3.3807 3.5074 3.5074 3.7023 3.7023 4.0440 4.0440 4.1216 4.1216 4.2552 4.2552 4.2711 4.2711 4.4241 4.4241 4.5036 4.5036 4.5165 4.5165 4.8282 4.8282 4.8729 4.8729 5.0194 5.0194 5.0813 5.0813 5.4342 5.4342 5.8674 5.8674 5.9013 5.9013 8.0801 8.0801 8.5810 8.5810 8.7865 8.7865 8.8454 8.8454 9.0831 9.0831 9.9288 9.9288 11.6533 11.6533 k = 0.0000 0.3793-0.0000 ( 5958 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9091 -25.9091 -25.9073 -25.9073 -6.9766 -6.9766 -6.4011 -6.4011 -6.1221 -6.1221 -6.0633 -6.0633 0.8560 0.8560 1.1449 1.1449 1.5675 1.5675 1.7574 1.7574 2.3787 2.3787 2.4068 2.4068 2.4893 2.4893 2.6925 2.6925 2.8901 2.8901 2.9125 2.9125 3.3789 3.3789 3.5085 3.5085 3.7061 3.7061 4.0668 4.0668 4.1184 4.1184 4.2488 4.2488 4.2665 4.2665 4.4181 4.4181 4.5018 4.5018 4.5075 4.5075 4.8280 4.8280 4.8699 4.8699 5.0287 5.0287 5.0865 5.0865 5.4059 5.4059 5.8618 5.8618 5.8939 5.8939 8.0754 8.0754 8.5863 8.5863 8.8073 8.8073 8.8616 8.8616 9.1020 9.1020 10.0083 10.0083 11.6374 11.6374 k = 0.0000 0.3966-0.0000 ( 5962 PWs) bands (ev): -61.6194 -61.6194 -34.5460 -34.5460 -25.9092 -25.9092 -25.9073 -25.9073 -6.9610 -6.9610 -6.4180 -6.4180 -6.1225 -6.1225 -6.0634 -6.0634 0.8675 0.8675 1.1831 1.1831 1.5899 1.5899 1.7267 1.7267 2.3839 2.3839 2.4109 2.4109 2.4689 2.4689 2.6528 2.6528 2.8870 2.8870 2.9094 2.9094 3.3773 3.3773 3.5095 3.5095 3.7095 3.7095 4.0876 4.0876 4.1171 4.1171 4.2424 4.2424 4.2627 4.2627 4.4119 4.4119 4.4949 4.4949 4.5037 4.5037 4.8277 4.8277 4.8673 4.8673 5.0379 5.0379 5.0920 5.0920 5.3794 5.3794 5.8569 5.8569 5.8875 5.8875 8.0713 8.0713 8.5909 8.5909 8.8257 8.8257 8.8761 8.8761 9.1188 9.1188 10.0822 10.0822 11.6238 11.6238 k = 0.0000 0.4138-0.0000 ( 5962 PWs) bands (ev): -61.6194 -61.6194 -34.5460 -34.5460 -25.9092 -25.9092 -25.9073 -25.9073 -6.9466 -6.9466 -6.4334 -6.4334 -6.1228 -6.1228 -6.0634 -6.0634 0.8776 0.8776 1.2212 1.2212 1.6006 1.6006 1.7063 1.7063 2.3884 2.3884 2.4142 2.4142 2.4511 2.4511 2.6163 2.6163 2.8844 2.8844 2.9067 2.9067 3.3759 3.3759 3.5103 3.5103 3.7124 3.7124 4.1014 4.1014 4.1222 4.1222 4.2361 4.2361 4.2597 4.2597 4.4058 4.4058 4.4855 4.4855 4.5027 4.5027 4.8276 4.8276 4.8650 4.8650 5.0464 5.0464 5.0982 5.0982 5.3550 5.3550 5.8526 5.8526 5.8821 5.8821 8.0677 8.0677 8.5949 8.5949 8.8416 8.8416 8.8888 8.8888 9.1333 9.1333 10.1491 10.1491 11.6125 11.6125 k = 0.0000 0.4310-0.0000 ( 5966 PWs) bands (ev): -61.6194 -61.6194 -34.5460 -34.5460 -25.9093 -25.9093 -25.9073 -25.9073 -6.9339 -6.9339 -6.4471 -6.4471 -6.1231 -6.1231 -6.0634 -6.0634 0.8862 0.8862 1.2587 1.2587 1.5915 1.5915 1.7035 1.7035 2.3921 2.3921 2.4167 2.4167 2.4362 2.4362 2.5841 2.5841 2.8821 2.8821 2.9044 2.9044 3.3748 3.3748 3.5111 3.5111 3.7147 3.7147 4.1041 4.1041 4.1375 4.1375 4.2297 4.2297 4.2572 4.2572 4.3997 4.3997 4.4768 4.4768 4.5020 4.5020 4.8275 4.8275 4.8631 4.8631 5.0538 5.0538 5.1050 5.1050 5.3331 5.3331 5.8491 5.8491 5.8776 5.8776 8.0647 8.0647 8.5981 8.5981 8.8548 8.8548 8.8994 8.8994 9.1454 9.1454 10.2073 10.2073 11.6033 11.6033 k = 0.0000 0.4483-0.0000 ( 5942 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9093 -25.9093 -25.9072 -25.9072 -6.9233 -6.9233 -6.4584 -6.4584 -6.1232 -6.1232 -6.0634 -6.0634 0.8932 0.8932 1.2950 1.2950 1.5675 1.5675 1.7130 1.7130 2.3951 2.3951 2.4182 2.4182 2.4246 2.4246 2.5575 2.5575 2.8804 2.8804 2.9027 2.9027 3.3739 3.3739 3.5117 3.5117 3.7166 3.7166 4.1037 4.1037 4.1550 4.1550 4.2232 4.2232 4.2554 4.2554 4.3941 4.3941 4.4696 4.4696 4.5016 4.5016 4.8275 4.8275 4.8616 4.8616 5.0595 5.0595 5.1124 5.1124 5.3142 5.3142 5.8463 5.8463 5.8742 5.8742 8.0624 8.0624 8.6007 8.6007 8.8653 8.8653 8.9077 8.9077 9.1549 9.1549 10.2551 10.2551 11.5962 11.5962 k = 0.0000 0.4655-0.0000 ( 5934 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9093 -25.9093 -25.9072 -25.9072 -6.9154 -6.9154 -6.4669 -6.4669 -6.1233 -6.1233 -6.0634 -6.0634 0.8982 0.8982 1.3282 1.3282 1.5395 1.5395 1.7246 1.7246 2.3970 2.3970 2.4156 2.4156 2.4195 2.4195 2.5377 2.5377 2.8792 2.8792 2.9014 2.9014 3.3732 3.3732 3.5121 3.5121 3.7180 3.7180 4.1029 4.1029 4.1713 4.1713 4.2160 4.2160 4.2541 4.2541 4.3894 4.3894 4.4641 4.4641 4.5014 4.5014 4.8275 4.8275 4.8606 4.8606 5.0634 5.0634 5.1192 5.1192 5.2993 5.2993 5.8443 5.8443 5.8717 5.8717 8.0607 8.0607 8.6025 8.6025 8.8728 8.8728 8.9138 8.9138 9.1618 9.1618 10.2907 10.2907 11.5912 11.5912 k = 0.0000 0.4828-0.0000 ( 5934 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9093 -25.9093 -25.9072 -25.9072 -6.9104 -6.9104 -6.4722 -6.4722 -6.1234 -6.1234 -6.0634 -6.0634 0.9013 0.9013 1.3544 1.3544 1.5155 1.5155 1.7330 1.7330 2.3979 2.3979 2.4110 2.4110 2.4195 2.4195 2.5256 2.5256 2.8784 2.8784 2.9006 2.9006 3.3728 3.3728 3.5124 3.5124 3.7188 3.7188 4.1023 4.1023 4.1855 4.1855 4.2077 4.2077 4.2534 4.2534 4.3862 4.3862 4.4607 4.4607 4.5012 4.5012 4.8275 4.8275 4.8599 4.8599 5.0656 5.0656 5.1242 5.1242 5.2895 5.2895 5.8431 5.8431 5.8702 5.8702 8.0597 8.0597 8.6036 8.6036 8.8774 8.8774 8.9174 8.9174 9.1659 9.1659 10.3128 10.3128 11.5882 11.5882 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9093 -25.9093 -25.9073 -25.9073 -6.9087 -6.9087 -6.4740 -6.4740 -6.1234 -6.1234 -6.0634 -6.0634 0.9023 0.9023 1.3652 1.3652 1.5052 1.5052 1.7360 1.7360 2.3981 2.3981 2.4095 2.4095 2.4194 2.4194 2.5215 2.5215 2.8781 2.8781 2.9003 2.9003 3.3726 3.3726 3.5125 3.5125 3.7191 3.7191 4.1020 4.1020 4.1963 4.1963 4.1989 4.1989 4.2531 4.2531 4.3850 4.3850 4.4595 4.4595 4.5012 4.5012 4.8275 4.8275 4.8596 4.8596 5.0664 5.0664 5.1260 5.1260 5.2861 5.2861 5.8427 5.8427 5.8697 5.8697 8.0593 8.0593 8.6040 8.6040 8.8789 8.8789 8.9186 8.9186 9.1673 9.1673 10.3203 10.3203 11.5873 11.5873 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9093 -25.9093 -25.9073 -25.9073 -6.9087 -6.9087 -6.4740 -6.4740 -6.1234 -6.1234 -6.0634 -6.0634 0.9023 0.9023 1.3652 1.3652 1.5052 1.5052 1.7360 1.7360 2.3981 2.3981 2.4095 2.4095 2.4194 2.4194 2.5215 2.5215 2.8781 2.8781 2.9003 2.9003 3.3726 3.3726 3.5125 3.5125 3.7191 3.7191 4.1020 4.1020 4.1963 4.1963 4.1989 4.1989 4.2531 4.2531 4.3850 4.3850 4.4595 4.4595 4.5012 4.5012 4.8275 4.8275 4.8596 4.8596 5.0664 5.0664 5.1260 5.1260 5.2861 5.2861 5.8427 5.8427 5.8697 5.8697 8.0593 8.0593 8.6040 8.6040 8.8789 8.8789 8.9186 8.9186 9.1673 9.1673 10.3203 10.3203 11.5873 11.5873 k = 0.0172 0.5000-0.0000 ( 5938 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9093 -25.9093 -25.9072 -25.9072 -6.9082 -6.9082 -6.4750 -6.4726 -6.1252 -6.1224 -6.0639 -6.0638 0.9026 0.9037 1.3651 1.3657 1.5047 1.5055 1.7352 1.7371 2.3978 2.3981 2.4079 2.4104 2.4187 2.4205 2.5171 2.5259 2.8776 2.8777 2.8998 2.9002 3.3667 3.3763 3.5101 3.5120 3.7194 3.7203 4.1009 4.1022 4.1903 4.1952 4.1974 4.2050 4.2459 4.2646 4.3844 4.3855 4.4567 4.4625 4.4945 4.5115 4.8216 4.8298 4.8508 4.8673 5.0609 5.0746 5.1239 5.1295 5.2811 5.2922 5.8385 5.8450 5.8677 5.8698 8.0568 8.0647 8.6013 8.6098 8.8695 8.8872 8.9143 8.9211 9.1570 9.1798 10.3214 10.3220 11.5879 11.5889 k = 0.0345 0.5000-0.0000 ( 5938 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9093 -25.9093 -25.9073 -25.9073 -6.9067 -6.9066 -6.4755 -6.4707 -6.1277 -6.1220 -6.0650 -6.0648 0.9043 0.9067 1.3652 1.3665 1.5039 1.5055 1.7349 1.7387 2.3974 2.3978 2.4055 2.4105 2.4183 2.4218 2.5129 2.5303 2.8764 2.8764 2.8985 2.8995 3.3584 3.3777 3.5051 3.5086 3.7213 3.7230 4.0990 4.1016 4.1817 4.1925 4.1980 4.2073 4.2451 4.2782 4.3842 4.3856 4.4548 4.4629 4.4943 4.5243 4.8105 4.8299 4.8441 4.8712 5.0592 5.0836 5.1234 5.1347 5.2771 5.2994 5.8325 5.8454 5.8638 5.8681 8.0572 8.0729 8.6014 8.6186 8.8600 8.8921 8.9101 8.9213 9.1491 9.1940 10.3254 10.3266 11.5906 11.5928 k = 0.0517 0.5000-0.0000 ( 5952 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9093 -25.9093 -25.9073 -25.9073 -6.9041 -6.9040 -6.4755 -6.4684 -6.1309 -6.1224 -6.0668 -6.0667 0.9077 0.9112 1.3655 1.3675 1.5028 1.5052 1.7351 1.7407 2.3968 2.3969 2.4026 2.4099 2.4184 2.4234 2.5088 2.5347 2.8739 2.8744 2.8964 2.8983 3.3478 3.3768 3.4975 3.5024 3.7246 3.7270 4.0961 4.1001 4.1738 4.1879 4.1986 4.2071 4.2494 4.2923 4.3849 4.3858 4.4543 4.4596 4.5013 4.5390 4.7948 4.8279 4.8400 4.8711 5.0599 5.0906 5.1259 5.1428 5.2742 5.3080 5.8250 5.8440 5.8581 5.8647 8.0606 8.0840 8.6039 8.6304 8.8511 8.8893 8.9102 8.9192 9.1437 9.2096 10.3323 10.3340 11.5953 11.5989 k = 0.0690 0.5000-0.0000 ( 5952 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9094 -25.9094 -25.9073 -25.9073 -6.9005 -6.9003 -6.4751 -6.4657 -6.1348 -6.1236 -6.0693 -6.0692 0.9125 0.9172 1.3661 1.3687 1.5015 1.5047 1.7358 1.7432 2.3952 2.3961 2.3991 2.4087 2.4191 2.4252 2.5051 2.5390 2.8700 2.8714 2.8937 2.8970 3.3352 3.3737 3.4877 3.4935 3.7290 3.7322 4.0927 4.0980 4.1672 4.1822 4.1995 4.2067 4.2552 4.3058 4.3869 4.3871 4.4547 4.4550 4.5130 4.5552 4.7765 4.8235 4.8375 4.8681 5.0606 5.0941 5.1330 5.1541 5.2725 5.3182 5.8160 5.8407 5.8507 5.8598 8.0668 8.0977 8.6083 8.6448 8.8437 8.8805 8.9130 8.9150 9.1412 9.2263 10.3420 10.3443 11.6016 11.6068 k = 0.0862 0.5000-0.0000 ( 5960 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9094 -25.9094 -25.9074 -25.9074 -6.8959 -6.8957 -6.4742 -6.4625 -6.1393 -6.1257 -6.0725 -6.0724 0.9188 0.9246 1.3669 1.3702 1.4999 1.5039 1.7370 1.7462 2.3926 2.3950 2.3953 2.4072 2.4204 2.4272 2.5019 2.5432 2.8647 2.8674 2.8907 2.8958 3.3205 3.3687 3.4760 3.4820 3.7345 3.7383 4.0890 4.0953 4.1620 4.1767 4.2006 4.2066 4.2607 4.3172 4.3898 4.3907 4.4500 4.4570 4.5272 4.5727 4.7572 4.8159 4.8357 4.8644 5.0587 5.0940 5.1451 5.1675 5.2725 5.3300 5.8058 5.8359 5.8416 5.8533 8.0757 8.1141 8.6138 8.6613 8.8383 8.8698 8.9091 8.9151 9.1414 9.2437 10.3545 10.3573 11.6088 11.6162 k = 0.1034 0.5000-0.0000 ( 5956 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9094 -25.9094 -25.9074 -25.9074 -6.8903 -6.8901 -6.4729 -6.4589 -6.1444 -6.1286 -6.0765 -6.0760 0.9265 0.9335 1.3679 1.3719 1.4980 1.5028 1.7388 1.7497 2.3887 2.3917 2.3935 2.4056 2.4223 2.4294 2.4991 2.5473 2.8579 2.8620 2.8876 2.8945 3.3040 3.3618 3.4625 3.4681 3.7407 3.7453 4.0852 4.0925 4.1581 4.1721 4.2019 4.2067 4.2650 4.3251 4.3948 4.3952 4.4466 4.4608 4.5431 4.5913 4.7377 4.8053 4.8344 4.8612 5.0541 5.0913 5.1599 5.1812 5.2752 5.3436 5.7949 5.8299 5.8313 5.8456 8.0874 8.1328 8.6192 8.6790 8.8358 8.8588 8.9021 8.9157 9.1443 9.2615 10.3698 10.3730 11.6165 11.6265 k = 0.1207 0.5000-0.0000 ( 5956 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9094 -25.9094 -25.9075 -25.9075 -6.8838 -6.8835 -6.4711 -6.4549 -6.1502 -6.1324 -6.0812 -6.0800 0.9354 0.9435 1.3691 1.3737 1.4958 1.5015 1.7414 1.7539 2.3838 2.3881 2.3912 2.4042 2.4246 2.4318 2.4970 2.5513 2.8497 2.8550 2.8847 2.8933 3.2859 3.3532 3.4475 3.4522 3.7476 3.7527 4.0817 4.0896 4.1555 4.1686 4.2034 4.2069 4.2683 4.3294 4.3986 4.4018 4.4462 4.4665 4.5599 4.6105 4.7186 4.7924 4.8335 4.8588 5.0474 5.0866 5.1739 5.1939 5.2824 5.3589 5.7835 5.8200 5.8228 5.8367 8.1016 8.1538 8.6238 8.6965 8.8361 8.8489 8.8952 8.9151 9.1496 9.2794 10.3878 10.3914 11.6238 11.6367 k = 0.1379 0.5000-0.0000 ( 5956 PWs) bands (ev): -61.6193 -61.6193 -34.5461 -34.5461 -25.9095 -25.9095 -25.9075 -25.9075 -6.8763 -6.8759 -6.4689 -6.4506 -6.1567 -6.1372 -6.0864 -6.0845 0.9455 0.9548 1.3704 1.3757 1.4934 1.4999 1.7448 1.7589 2.3786 2.3842 2.3883 2.4032 2.4274 2.4343 2.4955 2.5553 2.8401 2.8464 2.8819 2.8920 3.2663 3.3430 3.4312 3.4343 3.7549 3.7605 4.0788 4.0870 4.1541 4.1664 4.2051 4.2071 4.2708 4.3309 4.4013 4.4061 4.4512 4.4743 4.5769 4.6300 4.7003 4.7782 4.8330 4.8572 5.0391 5.0802 5.1836 5.2048 5.2957 5.3756 5.7719 5.8083 5.8148 5.8273 8.1183 8.1767 8.6265 8.7119 8.8381 8.8413 8.8906 8.9143 9.1570 9.2970 10.4086 10.4125 11.6298 11.6458 k = 0.1552 0.5000-0.0000 ( 5958 PWs) bands (ev): -61.6193 -61.6193 -34.5461 -34.5461 -25.9095 -25.9095 -25.9076 -25.9076 -6.8679 -6.8675 -6.4663 -6.4458 -6.1638 -6.1429 -6.0923 -6.0893 0.9565 0.9670 1.3718 1.3779 1.4906 1.4979 1.7492 1.7647 2.3732 2.3801 2.3849 2.4024 2.4304 2.4370 2.4946 2.5593 2.8292 2.8363 2.8795 2.8907 3.2457 3.3314 3.4137 3.4147 3.7624 3.7684 4.0765 4.0849 4.1538 4.1652 4.2069 4.2074 4.2727 4.3306 4.4025 4.4062 4.4624 4.4836 4.5936 4.6486 4.6842 4.7638 4.8330 4.8559 5.0298 5.0724 5.1876 5.2131 5.3151 5.3930 5.7602 5.7972 5.8051 5.8189 8.1372 8.2014 8.6271 8.7225 8.8372 8.8385 8.8921 8.9151 9.1659 9.3142 10.4320 10.4361 11.6337 11.6527 k = 0.1724 0.5000-0.0000 ( 5966 PWs) bands (ev): -61.6193 -61.6193 -34.5461 -34.5461 -25.9095 -25.9095 -25.9077 -25.9077 -6.8587 -6.8583 -6.4633 -6.4408 -6.1714 -6.1496 -6.0986 -6.0944 0.9685 0.9800 1.3734 1.3800 1.4874 1.4957 1.7546 1.7714 2.3679 2.3758 2.3812 2.4018 2.4338 2.4398 2.4944 2.5632 2.8171 2.8247 2.8772 2.8894 3.2241 3.3186 3.3937 3.3953 3.7699 3.7763 4.0750 4.0836 4.1545 4.1650 4.2077 4.2087 4.2744 4.3294 4.4024 4.4034 4.4776 4.4934 4.6089 4.6576 4.6792 4.7504 4.8336 4.8549 5.0199 5.0634 5.1865 5.2187 5.3389 5.4103 5.7480 5.7883 5.7929 5.8128 8.1582 8.2275 8.6255 8.7267 8.8344 8.8360 8.9028 8.9203 9.1761 9.3307 10.4579 10.4622 11.6345 11.6559 k = 0.1897 0.5000-0.0000 ( 5966 PWs) bands (ev): -61.6193 -61.6193 -34.5461 -34.5461 -25.9096 -25.9096 -25.9077 -25.9077 -6.8486 -6.8482 -6.4599 -6.4355 -6.1797 -6.1572 -6.1055 -6.0997 0.9812 0.9938 1.3750 1.3823 1.4840 1.4931 1.7612 1.7791 2.3628 2.3715 2.3774 2.4013 2.4373 2.4428 2.4947 2.5672 2.8039 2.8117 2.8751 2.8880 3.2018 3.3046 3.3714 3.3759 3.7773 3.7839 4.0743 4.0833 4.1562 4.1657 4.2081 4.2106 4.2761 4.3278 4.3993 4.4011 4.4948 4.5025 4.6213 4.6486 4.6940 4.7397 4.8350 4.8541 5.0096 5.0535 5.1817 5.2214 5.3647 5.4264 5.7343 5.7786 5.7835 5.8096 8.1810 8.2547 8.6221 8.7249 8.8266 8.8351 8.9213 8.9322 9.1872 9.3463 10.4862 10.4907 11.6315 11.6544 k = 0.2069 0.5000-0.0000 ( 5962 PWs) bands (ev): -61.6193 -61.6193 -34.5461 -34.5461 -25.9096 -25.9096 -25.9078 -25.9078 -6.8378 -6.8373 -6.4562 -6.4299 -6.1886 -6.1658 -6.1127 -6.1053 0.9945 1.0080 1.3766 1.3845 1.4801 1.4901 1.7692 1.7880 2.3580 2.3674 2.3738 2.4008 2.4411 2.4459 2.4957 2.5711 2.7895 2.7974 2.8732 2.8865 3.1792 3.2896 3.3481 3.3558 3.7846 3.7913 4.0745 4.0840 4.1588 4.1671 4.2085 4.2123 4.2779 4.3261 4.3947 4.3991 4.5093 4.5128 4.6288 4.6392 4.7118 4.7338 4.8374 4.8534 4.9990 5.0428 5.1738 5.2211 5.3907 5.4404 5.7189 5.7627 5.7843 5.8095 8.2055 8.2826 8.6177 8.7194 8.8173 8.8323 8.9451 8.9513 9.1990 9.3609 10.5170 10.5215 11.6240 11.6474 k = 0.2241 0.5000-0.0000 ( 5966 PWs) bands (ev): -61.6193 -61.6193 -34.5461 -34.5461 -25.9097 -25.9097 -25.9079 -25.9079 -6.8263 -6.8258 -6.4521 -6.4242 -6.1980 -6.1751 -6.1202 -6.1110 1.0082 1.0226 1.3781 1.3866 1.4759 1.4867 1.7787 1.7983 2.3537 2.3636 2.3705 2.4002 2.4450 2.4491 2.4971 2.5750 2.7741 2.7818 2.8714 2.8850 3.1565 3.2737 3.3240 3.3349 3.7916 3.7983 4.0755 4.0858 4.1623 4.1691 4.2089 4.2139 4.2799 4.3243 4.3900 4.3965 4.5123 4.5311 4.6293 4.6340 4.7289 4.7345 4.8409 4.8529 4.9884 5.0314 5.1637 5.2175 5.4154 5.4519 5.7020 5.7456 5.7910 5.8129 8.2312 8.3107 8.6125 8.7123 8.8078 8.8272 8.9723 8.9757 9.2111 9.3742 10.5499 10.5545 11.6115 11.6342 k = 0.2414 0.5000-0.0000 ( 5984 PWs) bands (ev): -61.6194 -61.6194 -34.5462 -34.5462 -25.9097 -25.9097 -25.9080 -25.9080 -6.8142 -6.8136 -6.4478 -6.4182 -6.2079 -6.1852 -6.1280 -6.1170 1.0221 1.0374 1.3796 1.3886 1.4713 1.4828 1.7898 1.8099 2.3499 2.3603 2.3676 2.3995 2.4489 2.4523 2.4990 2.5789 2.7576 2.7650 2.8698 2.8835 3.1339 3.2568 3.2995 3.3136 3.7982 3.8048 4.0772 4.0885 4.1664 4.1716 4.2094 4.2152 4.2821 4.3228 4.3854 4.3936 4.5106 4.5492 4.6232 4.6339 4.7414 4.7444 4.8457 4.8527 4.9778 5.0194 5.1515 5.2108 5.4377 5.4608 5.6840 5.7276 5.8032 5.8200 8.2580 8.3384 8.6072 8.7051 8.7986 8.8208 9.0018 9.0034 9.2235 9.3862 10.5850 10.5895 11.5939 11.6150 k = 0.2586 0.5000-0.0000 ( 5984 PWs) bands (ev): -61.6194 -61.6194 -34.5462 -34.5462 -25.9098 -25.9098 -25.9080 -25.9080 -6.8015 -6.8009 -6.4433 -6.4123 -6.2183 -6.1959 -6.1360 -6.1231 1.0362 1.0522 1.3811 1.3905 1.4662 1.4784 1.8027 1.8231 2.3466 2.3576 2.3652 2.3988 2.4529 2.4556 2.5013 2.5826 2.7402 2.7470 2.8683 2.8820 3.1117 3.2391 3.2749 3.2918 3.8045 3.8108 4.0798 4.0924 4.1711 4.1744 4.2100 4.2163 4.2847 4.3215 4.3812 4.3904 4.5046 4.5666 4.6132 4.6388 4.7523 4.7578 4.8521 4.8531 4.9675 5.0071 5.1377 5.2011 5.4570 5.4676 5.6656 5.7090 5.8200 5.8311 8.2854 8.3653 8.6023 8.6988 8.7902 8.8137 9.0326 9.0328 9.2360 9.3967 10.6221 10.6265 11.5713 11.5902 k = 0.2759 0.5000-0.0000 ( 5984 PWs) bands (ev): -61.6194 -61.6194 -34.5462 -34.5462 -25.9098 -25.9098 -25.9081 -25.9081 -6.7884 -6.7877 -6.4385 -6.4063 -6.2289 -6.2071 -6.1440 -6.1294 1.0502 1.0668 1.3824 1.3922 1.4608 1.4735 1.8174 1.8378 2.3441 2.3555 2.3633 2.3979 2.4570 2.4589 2.5039 2.5861 2.7219 2.7281 2.8670 2.8804 3.0902 3.2203 3.2508 3.2698 3.8102 3.8162 4.0830 4.0971 4.1763 4.1775 4.2107 4.2170 4.2877 4.3207 4.3773 4.3871 4.4954 4.5802 4.6043 4.6475 4.7648 4.7692 4.8542 4.8598 4.9574 4.9945 5.1224 5.1886 5.4726 5.4729 5.6469 5.6900 5.8404 5.8459 8.3130 8.3906 8.5981 8.6942 8.7828 8.8065 9.0627 9.0641 9.2486 9.4056 10.6610 10.6654 11.5442 11.5603 k = 0.2931 0.5000-0.0000 ( 5980 PWs) bands (ev): -61.6194 -61.6194 -34.5462 -34.5462 -25.9099 -25.9099 -25.9081 -25.9081 -6.7748 -6.7742 -6.4337 -6.4004 -6.2398 -6.2187 -6.1521 -6.1359 1.0640 1.0811 1.3836 1.3937 1.4550 1.4681 1.8338 1.8540 2.3421 2.3543 2.3620 2.3968 2.4609 2.4622 2.5069 2.5894 2.7028 2.7081 2.8658 2.8789 3.0697 3.2000 3.2279 3.2478 3.8156 3.8211 4.0869 4.1027 4.1806 4.1817 4.2114 4.2173 4.2912 4.3203 4.3739 4.3838 4.4844 4.5770 4.6107 4.6586 4.7770 4.7785 4.8564 4.8685 4.9477 4.9819 5.1060 5.1736 5.4766 5.4856 5.6285 5.6709 5.8632 5.8639 8.3405 8.4138 8.5949 8.6918 8.7766 8.7994 9.0923 9.0957 9.2612 9.4127 10.7015 10.7059 11.5131 11.5263 k = 0.3103 0.5000-0.0000 ( 5976 PWs) bands (ev): -61.6194 -61.6194 -34.5462 -34.5462 -25.9100 -25.9100 -25.9082 -25.9082 -6.7610 -6.7604 -6.4288 -6.3948 -6.2507 -6.2304 -6.1601 -6.1425 1.0776 1.0949 1.3847 1.3950 1.4489 1.4621 1.8520 1.8719 2.3409 2.3538 2.3614 2.3957 2.4649 2.4655 2.5101 2.5921 2.6830 2.6874 2.8648 2.8774 3.0504 3.1783 3.2067 3.2259 3.8205 3.8255 4.0914 4.1088 4.1835 4.1871 4.2123 4.2172 4.2952 4.3206 4.3710 4.3805 4.4726 4.5633 4.6266 4.6712 4.7862 4.7879 4.8603 4.8775 4.9385 4.9693 5.0888 5.1567 5.4799 5.4953 5.6106 5.6519 5.8843 5.8873 8.3672 8.4342 8.5933 8.6920 8.7715 8.7926 9.1211 9.1268 9.2737 9.4181 10.7436 10.7479 11.4790 11.4894 k = 0.3276 0.5000-0.0000 ( 5988 PWs) bands (ev): -61.6194 -61.6194 -34.5463 -34.5463 -25.9100 -25.9100 -25.9082 -25.9082 -6.7471 -6.7464 -6.4240 -6.3897 -6.2615 -6.2422 -6.1680 -6.1492 1.0908 1.1081 1.3855 1.3960 1.4426 1.4558 1.8719 1.8910 2.3403 2.3542 2.3613 2.3943 2.4686 2.4686 2.5135 2.5943 2.6626 2.6660 2.8641 2.8760 3.0326 3.1554 3.1872 3.2045 3.8248 3.8293 4.0965 4.1154 4.1860 4.1922 4.2132 4.2166 4.2999 4.3216 4.3685 4.3773 4.4606 4.5477 4.6441 4.6847 4.7927 4.7965 4.8662 4.8861 4.9297 4.9568 5.0707 5.1381 5.4829 5.5025 5.5935 5.6332 5.9061 5.9118 8.3926 8.4515 8.5935 8.6948 8.7677 8.7863 9.1487 9.1570 9.2861 9.4215 10.7870 10.7913 11.4428 11.4507 k = 0.3448 0.5000-0.0000 ( 5984 PWs) bands (ev): -61.6194 -61.6194 -34.5463 -34.5463 -25.9101 -25.9101 -25.9083 -25.9083 -6.7332 -6.7325 -6.4193 -6.3853 -6.2718 -6.2537 -6.1756 -6.1560 1.1035 1.1205 1.3862 1.3967 1.4363 1.4491 1.8931 1.9114 2.3404 2.3552 2.3617 2.3928 2.4715 2.4721 2.5170 2.5957 2.6419 2.6443 2.8636 2.8747 3.0165 3.1321 3.1693 3.1838 3.8288 3.8327 4.1021 4.1223 4.1880 4.1968 4.2142 4.2156 4.3052 4.3234 4.3664 4.3742 4.4488 4.5317 4.6619 4.6986 4.7986 4.8029 4.8738 4.8934 4.9214 4.9449 5.0525 5.1188 5.4858 5.5077 5.5775 5.6152 5.9285 5.9358 8.4159 8.4654 8.5961 8.7001 8.7651 8.7804 9.1749 9.1859 9.2982 9.4230 10.8316 10.8359 11.4058 11.4114 k = 0.3621 0.5000-0.0000 ( 5984 PWs) bands (ev): -61.6194 -61.6194 -34.5463 -34.5463 -25.9102 -25.9102 -25.9083 -25.9083 -6.7194 -6.7188 -6.4150 -6.3819 -6.2812 -6.2647 -6.1829 -6.1629 1.1156 1.1321 1.3865 1.3970 1.4302 1.4423 1.9154 1.9326 2.3410 2.3569 2.3624 2.3911 2.4742 2.4753 2.5206 2.5956 2.6212 2.6229 2.8633 2.8734 3.0024 3.1091 3.1526 3.1641 3.8322 3.8356 4.1082 4.1294 4.1894 4.2007 4.2144 4.2151 4.3113 4.3261 4.3648 4.3714 4.4377 4.5155 4.6798 4.7128 4.8042 4.8072 4.8826 4.8987 4.9138 4.9336 5.0342 5.0992 5.4886 5.5112 5.5628 5.5980 5.9507 5.9586 8.4365 8.4763 8.6013 8.7070 8.7635 8.7750 9.1995 9.2133 9.3097 9.4226 10.8771 10.8815 11.3690 11.3727 k = 0.3793 0.5000-0.0000 ( 5978 PWs) bands (ev): -61.6194 -61.6194 -34.5463 -34.5463 -25.9102 -25.9102 -25.9083 -25.9083 -6.7061 -6.7055 -6.4111 -6.3800 -6.2893 -6.2750 -6.1895 -6.1697 1.1270 1.1428 1.3865 1.3970 1.4245 1.4355 1.9384 1.9543 2.3423 2.3591 2.3635 2.3892 2.4766 2.4781 2.5240 2.5908 2.6012 2.6055 2.8632 2.8722 2.9905 3.0869 3.1372 3.1457 3.8353 3.8381 4.1147 4.1365 4.1899 4.2031 4.2135 4.2161 4.3183 4.3296 4.3635 4.3688 4.4272 4.4995 4.6977 4.7270 4.8097 4.8103 4.8912 4.9011 4.9073 4.9235 5.0164 5.0799 5.4914 5.5136 5.5497 5.5818 5.9718 5.9798 8.4539 8.4845 8.6093 8.7145 8.7629 8.7703 9.2227 9.2387 9.3205 9.4202 10.9233 10.9278 11.3336 11.3358 k = 0.3966 0.5000-0.0000 ( 5976 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9103 -25.9103 -25.9083 -25.9083 -6.6935 -6.6929 -6.4079 -6.3797 -6.2958 -6.2840 -6.1955 -6.1764 1.1376 1.1523 1.3861 1.3965 1.4195 1.4289 1.9615 1.9759 2.3440 2.3615 2.3646 2.3871 2.4786 2.4804 2.5265 2.5746 2.5829 2.5992 2.8633 2.8711 2.9811 3.0659 3.1231 3.1290 3.8379 3.8403 4.1215 4.1434 4.1895 4.2033 4.2136 4.2170 4.3260 4.3337 4.3625 4.3664 4.4177 4.4836 4.7156 4.7409 4.8127 4.8155 4.8950 4.8995 4.9054 4.9152 4.9997 5.0615 5.4942 5.5149 5.5385 5.5668 5.9912 5.9988 8.4678 8.4905 8.6201 8.7213 8.7631 8.7665 9.2445 9.2619 9.3301 9.4158 10.9700 10.9747 11.3005 11.3016 k = 0.4138 0.5000-0.0000 ( 5968 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9103 -25.9103 -25.9083 -25.9083 -6.6818 -6.6813 -6.4054 -6.3813 -6.3003 -6.2917 -6.2007 -6.1829 1.1473 1.1605 1.3854 1.3954 1.4154 1.4230 1.9840 1.9967 2.3460 2.3642 2.3656 2.3848 2.4800 2.4820 2.5266 2.5554 2.5686 2.5961 2.8637 2.8702 2.9741 3.0465 3.1105 3.1142 3.8401 3.8420 4.1286 4.1500 4.1882 4.2015 4.2149 4.2178 4.3344 4.3384 4.3618 4.3645 4.4091 4.4681 4.7332 4.7543 4.8150 4.8218 4.8910 4.8938 4.9087 4.9097 4.9853 5.0448 5.4968 5.5156 5.5292 5.5533 6.0086 6.0153 8.4785 8.4948 8.6329 8.7258 8.7639 8.7642 9.2651 9.2827 9.3383 9.4095 11.0167 11.0216 11.2708 11.2711 k = 0.4310 0.5000-0.0000 ( 5972 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9103 -25.9103 -25.9084 -25.9084 -6.6714 -6.6710 -6.4036 -6.3843 -6.3032 -6.2976 -6.2047 -6.1890 1.1560 1.1672 1.3843 1.3936 1.4123 1.4181 2.0051 2.0158 2.3484 2.3662 2.3668 2.3823 2.4807 2.4826 2.5223 2.5378 2.5613 2.5928 2.8642 2.8693 2.9699 3.0289 3.0996 3.1017 3.8420 3.8434 4.1358 4.1562 4.1859 4.1985 4.2164 4.2184 4.3433 4.3435 4.3612 4.3628 4.4016 4.4530 4.7503 4.7667 4.8176 4.8288 4.8858 4.8862 4.9017 4.9113 4.9755 5.0299 5.4994 5.5156 5.5221 5.5413 6.0234 6.0291 8.4863 8.4978 8.6470 8.7268 8.7640 8.7651 9.2845 9.3008 9.3446 9.4014 11.0629 11.0680 11.2451 11.2452 k = 0.4483 0.5000-0.0000 ( 5968 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9103 -25.9103 -25.9084 -25.9084 -6.6627 -6.6624 -6.4025 -6.3883 -6.3048 -6.3018 -6.2074 -6.1947 1.1634 1.1723 1.3833 1.3912 1.4104 1.4143 2.0237 2.0321 2.3510 2.3661 2.3693 2.3800 2.4803 2.4819 2.5149 2.5233 2.5609 2.5888 2.8648 2.8686 2.9683 3.0132 3.0908 3.0917 3.8434 3.8444 4.1430 4.1618 4.1830 4.1949 4.2176 4.2190 4.3486 4.3524 4.3609 4.3615 4.3955 4.4384 4.7662 4.7774 4.8210 4.8371 4.8780 4.8813 4.8934 4.9069 4.9722 5.0171 5.5018 5.5153 5.5172 5.5311 6.0354 6.0398 8.4920 8.4998 8.6614 8.7240 8.7653 8.7665 9.3029 9.3162 9.3488 9.3916 11.1076 11.1127 11.2241 11.2246 k = 0.4655 0.5000-0.0000 ( 5968 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9104 -25.9104 -25.9084 -25.9084 -6.6561 -6.6559 -6.4016 -6.3923 -6.3057 -6.3044 -6.2087 -6.1997 1.1694 1.1756 1.3827 1.3885 1.4093 1.4118 2.0386 2.0445 2.3537 2.3649 2.3716 2.3780 2.4787 2.4797 2.5087 2.5132 2.5641 2.5842 2.8654 2.8679 2.9695 2.9997 3.0841 3.0845 3.8445 3.8451 4.1500 4.1659 4.1802 4.1909 4.2185 4.2193 4.3536 4.3600 4.3609 4.3610 4.3917 4.4245 4.7795 4.7858 4.8262 4.8468 4.8690 4.8779 4.8851 4.8970 4.9747 5.0061 5.5042 5.5144 5.5146 5.5226 6.0443 6.0473 8.4960 8.5008 8.6754 8.7181 8.7671 8.7678 9.3203 9.3287 9.3506 9.3802 11.1487 11.1534 11.2089 11.2095 k = 0.4828 0.5000-0.0000 ( 5976 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9104 -25.9104 -25.9084 -25.9084 -6.6520 -6.6518 -6.4004 -6.3959 -6.3061 -6.3058 -6.2084 -6.2038 1.1737 1.1769 1.3829 1.3859 1.4090 1.4101 2.0488 2.0519 2.3567 2.3626 2.3735 2.3765 2.4767 2.4771 2.5056 2.5075 2.5687 2.5791 2.8660 2.8672 2.9733 2.9885 3.0800 3.0801 3.8452 3.8455 4.1567 4.1663 4.1798 4.1868 4.2191 4.2195 4.3574 4.3597 4.3619 4.3649 4.3929 4.4115 4.7885 4.7910 4.8343 4.8559 4.8602 4.8760 4.8790 4.8844 4.9805 4.9965 5.5070 5.5133 5.5136 5.5162 6.0501 6.0516 8.4987 8.5010 8.6884 8.7100 8.7685 8.7688 9.3363 9.3382 9.3501 9.3674 11.1813 11.1840 11.1999 11.2007 k = 0.5000 0.5000-0.0000 ( 6024 PWs) bands (ev): -61.6194 -61.6194 -34.5464 -34.5464 -25.9105 -25.9105 -25.9085 -25.9085 -6.6505 -6.6505 -6.3986 -6.3986 -6.3062 -6.3062 -6.2068 -6.2068 1.1763 1.1763 1.3839 1.3839 1.4092 1.4092 2.0534 2.0534 2.3597 2.3597 2.3750 2.3750 2.4758 2.4758 2.5052 2.5052 2.5738 2.5738 2.8665 2.8665 2.9796 2.9796 3.0786 3.0786 3.8454 3.8454 4.1624 4.1624 4.1826 4.1826 4.2193 4.2193 4.3589 4.3589 4.3642 4.3642 4.4003 4.4003 4.7920 4.7920 4.8452 4.8452 4.8711 4.8711 4.8760 4.8760 4.9879 4.9879 5.5104 5.5104 5.5135 5.5135 6.0525 6.0525 8.5003 8.5003 8.7000 8.7000 8.7690 8.7690 9.3439 9.3439 9.3541 9.3541 11.1932 11.1932 11.1998 11.1998 k = 0.5000 0.5000-0.0000 ( 6024 PWs) bands (ev): -61.6194 -61.6194 -34.5464 -34.5464 -25.9105 -25.9105 -25.9085 -25.9085 -6.6505 -6.6505 -6.3986 -6.3986 -6.3062 -6.3062 -6.2068 -6.2068 1.1763 1.1763 1.3839 1.3839 1.4092 1.4092 2.0534 2.0534 2.3597 2.3597 2.3750 2.3750 2.4758 2.4758 2.5052 2.5052 2.5738 2.5738 2.8665 2.8665 2.9796 2.9796 3.0786 3.0786 3.8454 3.8454 4.1624 4.1624 4.1826 4.1826 4.2193 4.2193 4.3589 4.3589 4.3642 4.3642 4.4003 4.4003 4.7920 4.7920 4.8452 4.8452 4.8711 4.8711 4.8760 4.8760 4.9879 4.9879 5.5104 5.5104 5.5135 5.5135 6.0525 6.0525 8.5003 8.5003 8.7000 8.7000 8.7690 8.7690 9.3439 9.3439 9.3541 9.3541 11.1932 11.1932 11.1998 11.1998 k = 0.4878 0.4878-0.0000 ( 5968 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9104 -25.9104 -25.9084 -25.9084 -6.6520 -6.6519 -6.4004 -6.3959 -6.3061 -6.3058 -6.2084 -6.2037 1.1737 1.1770 1.3827 1.3859 1.4090 1.4102 2.0488 2.0519 2.3566 2.3626 2.3735 2.3765 2.4767 2.4772 2.5056 2.5074 2.5686 2.5792 2.8660 2.8672 2.9733 2.9884 3.0800 3.0802 3.8452 3.8455 4.1566 4.1667 4.1794 4.1870 4.2191 4.2195 4.3578 4.3591 4.3615 4.3656 4.3925 4.4118 4.7890 4.7904 4.8347 4.8556 4.8599 4.8766 4.8787 4.8844 4.9805 4.9965 5.5070 5.5128 5.5150 5.5154 6.0501 6.0516 8.4987 8.5010 8.6883 8.7100 8.7685 8.7687 9.3333 9.3433 9.3480 9.3674 11.1800 11.1821 11.2019 11.2022 k = 0.4756 0.4756-0.0000 ( 5968 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9104 -25.9104 -25.9084 -25.9084 -6.6562 -6.6560 -6.4012 -6.3924 -6.3054 -6.3049 -6.2088 -6.1995 1.1694 1.1757 1.3811 1.3876 1.4105 1.4130 2.0384 2.0444 2.3536 2.3650 2.3716 2.3780 2.4793 2.4807 2.5081 2.5121 2.5635 2.5852 2.8655 2.8679 2.9700 2.9989 3.0839 3.0849 3.8445 3.8451 4.1495 4.1690 4.1766 4.1919 4.2186 4.2192 4.3548 4.3562 4.3603 4.3656 4.3890 4.4257 4.7818 4.7827 4.8289 4.8467 4.8643 4.8828 4.8831 4.8971 4.9747 5.0061 5.5043 5.5131 5.5174 5.5210 6.0444 6.0474 8.4962 8.5007 8.6751 8.7184 8.7671 8.7676 9.3146 9.3397 9.3461 9.3793 11.1431 11.1464 11.2162 11.2167 k = 0.4634 0.4634-0.0000 ( 5972 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9104 -25.9104 -25.9084 -25.9084 -6.6629 -6.6628 -6.4009 -6.3882 -6.3042 -6.3035 -6.2077 -6.1943 1.1633 1.1726 1.3774 1.3862 1.4162 1.4191 2.0228 2.0316 2.3508 2.3664 2.3693 2.3801 2.4827 2.4860 2.5122 2.5192 2.5590 2.5927 2.8649 2.8685 2.9697 3.0104 3.0901 3.0932 3.8434 3.8445 4.1419 4.1698 4.1740 4.1969 4.2178 4.2184 4.3486 4.3540 4.3590 4.3649 4.3894 4.4414 4.7678 4.7738 4.8274 4.8369 4.8670 4.8879 4.8938 4.9072 4.9720 5.0172 5.5025 5.5140 5.5209 5.5277 6.0357 6.0400 8.4928 8.4995 8.6605 8.7250 8.7651 8.7658 9.2934 9.3344 9.3429 9.3887 11.0954 11.0985 11.2400 11.2412 k = 0.4512 0.4512-0.0000 ( 5972 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9103 -25.9103 -25.9084 -25.9084 -6.6721 -6.6721 -6.3996 -6.3833 -6.3023 -6.3016 -6.2054 -6.1883 1.1559 1.1680 1.3707 1.3809 1.4269 1.4290 2.0028 2.0142 2.3483 2.3667 2.3668 2.3830 2.4866 2.4923 2.5167 2.5269 2.5572 2.6030 2.8644 2.8693 2.9725 3.0220 3.0984 3.1053 3.8420 3.8435 4.1342 4.1696 4.1713 4.2012 4.2168 4.2171 4.3425 4.3509 4.3567 4.3640 4.3933 4.4586 4.7512 4.7630 4.8280 4.8285 4.8694 4.8939 4.9036 4.9119 4.9752 5.0301 5.5013 5.5156 5.5254 5.5353 6.0243 6.0298 8.4886 8.4975 8.6445 8.7298 8.7623 8.7633 9.2702 9.3273 9.3381 9.3955 11.0418 11.0441 11.2726 11.2746 k = 0.4390 0.4390-0.0000 ( 5972 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9103 -25.9103 -25.9083 -25.9083 -6.6837 -6.6835 -6.3974 -6.3780 -6.2998 -6.2992 -6.2020 -6.1815 1.1473 1.1619 1.3612 1.3724 1.4414 1.4424 1.9792 1.9931 2.3463 2.3639 2.3658 2.3865 2.4906 2.4992 2.5205 2.5310 2.5624 2.6170 2.8639 2.8702 2.9781 3.0333 3.1085 3.1210 3.8402 3.8421 4.1265 4.1687 4.1688 4.2044 4.2149 4.2153 4.3372 4.3468 4.3535 4.3634 4.4001 4.4768 4.7336 4.7508 4.8213 4.8292 4.8727 4.9001 4.9108 4.9109 4.9849 5.0451 5.5007 5.5179 5.5307 5.5434 6.0107 6.0172 8.4835 8.4947 8.6274 8.7329 8.7591 8.7604 9.2455 9.3185 9.3314 9.3995 10.9842 10.9856 11.3130 11.3160 k = 0.4268 0.4268-0.0000 ( 5964 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9102 -25.9102 -25.9083 -25.9083 -6.6972 -6.6968 -6.3943 -6.3723 -6.2967 -6.2962 -6.1976 -6.1744 1.1377 1.1545 1.3493 1.3613 1.4586 1.4587 1.9530 1.9690 2.3451 2.3608 2.3642 2.3904 2.4942 2.5060 2.5236 2.5305 2.5757 2.6348 2.8636 2.8713 2.9860 3.0444 3.1202 3.1396 3.8381 3.8406 4.1191 4.1661 4.1674 4.2065 4.2115 4.2134 4.3330 4.3416 4.3499 4.3632 4.4093 4.4960 4.7159 4.7378 4.8151 4.8305 4.8771 4.9011 4.9111 4.9152 4.9993 5.0622 5.5007 5.5210 5.5365 5.5516 5.9955 6.0028 8.4777 8.4911 8.6092 8.7339 8.7555 8.7573 9.2195 9.3081 9.3228 9.4007 10.9234 10.9239 11.3602 11.3645 k = 0.4146 0.4146-0.0000 ( 5980 PWs) bands (ev): -61.6194 -61.6194 -34.5463 -34.5463 -25.9102 -25.9102 -25.9083 -25.9083 -6.7126 -6.7119 -6.3903 -6.3662 -6.2929 -6.2925 -6.1924 -6.1669 1.1271 1.1459 1.3350 1.3480 1.4771 1.4784 1.9247 1.9426 2.3449 2.3576 2.3620 2.3945 2.4970 2.5109 2.5270 2.5304 2.5937 2.6561 2.8635 2.8727 2.9958 3.0553 3.1334 3.1605 3.8356 3.8386 4.1118 4.1634 4.1658 4.2059 4.2082 4.2107 4.3298 4.3357 4.3462 4.3635 4.4207 4.5157 4.6984 4.7243 4.8096 4.8316 4.8824 4.8933 4.9165 4.9182 5.0161 5.0809 5.5013 5.5251 5.5424 5.5592 5.9795 5.9873 8.4713 8.4868 8.5902 8.7327 8.7516 8.7544 9.1924 9.2959 9.3123 9.3991 10.8596 10.8598 11.4128 11.4187 k = 0.4024 0.4024-0.0000 ( 5986 PWs) bands (ev): -61.6194 -61.6194 -34.5463 -34.5463 -25.9101 -25.9101 -25.9083 -25.9083 -6.7294 -6.7284 -6.3857 -6.3598 -6.2885 -6.2883 -6.1866 -6.1594 1.1155 1.1361 1.3188 1.3326 1.4976 1.5000 1.8949 1.9146 2.3455 2.3546 2.3593 2.3987 2.4984 2.5110 2.5318 2.5353 2.6142 2.6801 2.8635 2.8744 3.0071 3.0662 3.1478 3.1831 3.8328 3.8365 4.1049 4.1610 4.1640 4.1998 4.2072 4.2080 4.3274 4.3293 4.3429 4.3642 4.4340 4.5360 4.6813 4.7106 4.8045 4.8323 4.8833 4.8885 4.9153 4.9267 5.0343 5.1008 5.5022 5.5304 5.5480 5.5655 5.9636 5.9715 8.4644 8.4818 8.5705 8.7290 8.7475 8.7520 9.1645 9.2819 9.2997 9.3948 10.7929 10.7937 11.4694 11.4772 k = 0.3902 0.3902-0.0000 ( 5974 PWs) bands (ev): -61.6194 -61.6194 -34.5463 -34.5463 -25.9101 -25.9101 -25.9083 -25.9083 -6.7474 -6.7462 -6.3803 -6.3531 -6.2834 -6.2834 -6.1805 -6.1518 1.1031 1.1251 1.3006 1.3152 1.5197 1.5232 1.8643 1.8855 2.3462 2.3532 2.3562 2.4031 2.4986 2.5079 2.5388 2.5444 2.6364 2.7062 2.8638 2.8764 3.0195 3.0773 3.1632 3.2066 3.8298 3.8341 4.0982 4.1589 4.1624 4.1916 4.2025 4.2076 4.3229 4.3258 4.3402 4.3655 4.4490 4.5565 4.6647 4.6970 4.8000 4.8328 4.8723 4.8954 4.9121 4.9357 5.0533 5.1215 5.5033 5.5370 5.5531 5.5699 5.9488 5.9565 8.4571 8.4764 8.5502 8.7229 8.7434 8.7502 9.1361 9.2663 9.2850 9.3879 10.7241 10.7252 11.5284 11.5383 k = 0.3780 0.3780-0.0000 ( 5978 PWs) bands (ev): -61.6194 -61.6194 -34.5462 -34.5462 -25.9100 -25.9100 -25.9082 -25.9082 -6.7665 -6.7651 -6.3743 -6.3462 -6.2779 -6.2778 -6.1741 -6.1444 1.0898 1.1130 1.2807 1.2960 1.5429 1.5476 1.8334 1.8560 2.3444 2.3529 2.3555 2.4074 2.4984 2.5039 2.5477 2.5557 2.6597 2.7338 2.8644 2.8788 3.0327 3.0886 3.1794 3.2304 3.8264 3.8314 4.0918 4.1572 4.1608 4.1816 4.1965 4.2068 4.3170 4.3246 4.3386 4.3672 4.4653 4.5770 4.6488 4.6834 4.7957 4.8327 4.8610 4.9028 4.9072 4.9446 5.0729 5.1424 5.5035 5.5450 5.5579 5.5714 5.9360 5.9432 8.4495 8.4704 8.5297 8.7146 8.7392 8.7486 9.1073 9.2488 9.2682 9.3784 10.6535 10.6546 11.5880 11.6003 k = 0.3659 0.3659-0.0000 ( 5988 PWs) bands (ev): -61.6194 -61.6194 -34.5462 -34.5462 -25.9099 -25.9099 -25.9082 -25.9082 -6.7864 -6.7848 -6.3678 -6.3390 -6.2718 -6.2716 -6.1675 -6.1372 1.0755 1.0996 1.2592 1.2750 1.5667 1.5726 1.8027 1.8266 2.3412 2.3493 2.3609 2.4112 2.4989 2.5000 2.5581 2.5684 2.6840 2.7626 2.8652 2.8815 3.0464 3.1002 3.1961 3.2543 3.8227 3.8285 4.0856 4.1557 4.1595 4.1701 4.1889 4.2056 4.3119 4.3235 4.3383 4.3694 4.4825 4.5963 4.6346 4.6701 4.7916 4.8315 4.8501 4.9007 4.9107 4.9533 5.0931 5.1633 5.5016 5.5540 5.5632 5.5699 5.9261 5.9326 8.4419 8.4639 8.5091 8.7046 8.7349 8.7469 9.0783 9.2297 9.2493 9.3664 10.5811 10.5819 11.6465 11.6612 k = 0.3537 0.3537-0.0000 ( 5984 PWs) bands (ev): -61.6194 -61.6194 -34.5462 -34.5462 -25.9098 -25.9098 -25.9082 -25.9082 -6.8070 -6.8053 -6.3607 -6.3315 -6.2651 -6.2649 -6.1610 -6.1303 1.0602 1.0850 1.2362 1.2525 1.5902 1.5974 1.7733 1.7984 2.3378 2.3457 2.3680 2.4141 2.4969 2.5010 2.5700 2.5822 2.7089 2.7921 2.8664 2.8845 3.0603 3.1119 3.2132 3.2778 3.8188 3.8253 4.0799 4.1546 4.1558 4.1598 4.1798 4.2045 4.3080 4.3226 4.3393 4.3720 4.5005 4.6072 4.6292 4.6571 4.7875 4.8268 4.8421 4.8934 4.9185 4.9614 5.1140 5.1842 5.4960 5.5577 5.5704 5.5711 5.9198 5.9255 8.4342 8.4569 8.4888 8.6930 8.7305 8.7450 9.0494 9.2089 9.2284 9.3520 10.5071 10.5075 11.7021 11.7193 k = 0.3415 0.3415-0.0000 ( 5976 PWs) bands (ev): -61.6194 -61.6194 -34.5462 -34.5462 -25.9097 -25.9097 -25.9081 -25.9081 -6.8280 -6.8263 -6.3532 -6.3239 -6.2579 -6.2576 -6.1546 -6.1237 1.0441 1.0692 1.2119 1.2286 1.6115 1.6199 1.7473 1.7734 2.3342 2.3419 2.3761 2.4157 2.4952 2.5056 2.5830 2.5970 2.7345 2.8222 2.8679 2.8880 3.0744 3.1238 3.2305 3.3007 3.8146 3.8219 4.0745 4.1419 4.1531 4.1587 4.1698 4.2034 4.3055 4.3219 4.3416 4.3751 4.5189 4.5983 4.6440 4.6444 4.7834 4.8171 4.8390 4.8855 4.9263 4.9686 5.1358 5.2049 5.4856 5.5483 5.5805 5.5829 5.9172 5.9223 8.4266 8.4484 8.4699 8.6800 8.7259 8.7427 9.0206 9.1864 9.2055 9.3352 10.4314 10.4317 11.7532 11.7729 k = 0.3293 0.3293-0.0000 ( 5976 PWs) bands (ev): -61.6194 -61.6194 -34.5462 -34.5462 -25.9096 -25.9096 -25.9081 -25.9081 -6.8494 -6.8476 -6.3453 -6.3160 -6.2502 -6.2500 -6.1483 -6.1176 1.0270 1.0522 1.1865 1.2034 1.6266 1.6344 1.7302 1.7555 2.3307 2.3381 2.3844 2.4158 2.4956 2.5129 2.5970 2.6127 2.7606 2.8524 2.8697 2.8922 3.0886 3.1358 3.2477 3.3226 3.8101 3.8180 4.0696 4.1261 4.1481 4.1587 4.1623 4.2026 4.3045 4.3215 4.3450 4.3786 4.5374 4.5850 4.6321 4.6633 4.7788 4.8048 4.8381 4.8775 4.9339 4.9748 5.1586 5.2255 5.4704 5.5328 5.5938 5.5982 5.9182 5.9227 8.4191 8.4362 8.4548 8.6658 8.7208 8.7398 8.9920 9.1625 9.1807 9.3163 10.3540 10.3551 11.7988 11.8208 k = 0.3171 0.3171-0.0000 ( 5980 PWs) bands (ev): -61.6194 -61.6194 -34.5462 -34.5462 -25.9095 -25.9095 -25.9081 -25.9081 -6.8710 -6.8692 -6.3370 -6.3080 -6.2421 -6.2419 -6.1422 -6.1119 1.0091 1.0341 1.1600 1.1770 1.6289 1.6314 1.7318 1.7513 2.3272 2.3343 2.3917 2.4143 2.4992 2.5232 2.6120 2.6292 2.7872 2.8719 2.8802 2.8993 3.1027 3.1478 3.2646 3.3435 3.8055 3.8139 4.0651 4.1092 4.1367 4.1593 4.1603 4.2023 4.3049 4.3214 4.3493 4.3824 4.5559 4.5714 4.6202 4.6827 4.7736 4.7919 4.8379 4.8697 4.9409 4.9795 5.1825 5.2462 5.4511 5.5132 5.6099 5.6156 5.9224 5.9265 8.4118 8.4190 8.4450 8.6504 8.7153 8.7361 8.9638 9.1372 9.1543 9.2952 10.2752 10.2773 11.8380 11.8620 k = 0.3049 0.3049-0.0000 ( 5986 PWs) bands (ev): -61.6194 -61.6194 -34.5462 -34.5462 -25.9094 -25.9094 -25.9080 -25.9080 -6.8927 -6.8909 -6.3284 -6.2999 -6.2335 -6.2335 -6.1364 -6.1067 0.9903 1.0150 1.1327 1.1497 1.6124 1.6164 1.7504 1.7629 2.3239 2.3305 2.3969 2.4115 2.5070 2.5362 2.6277 2.6465 2.8142 2.8744 2.8944 2.9203 3.1168 3.1599 3.2812 3.3630 3.8006 3.8092 4.0607 4.0913 4.1228 4.1604 4.1610 4.2027 4.3068 4.3218 4.3544 4.3867 4.5581 4.5740 4.6087 4.7015 4.7675 4.7788 4.8380 4.8626 4.9472 4.9830 5.2079 5.2675 5.4285 5.4905 5.6286 5.6348 5.9291 5.9328 8.3998 8.4046 8.4375 8.6342 8.7092 8.7314 8.9361 9.1108 9.1263 9.2722 10.1953 10.1985 11.8707 11.8964 k = 0.2927 0.2927-0.0000 ( 5972 PWs) bands (ev): -61.6194 -61.6194 -34.5461 -34.5461 -25.9093 -25.9093 -25.9080 -25.9080 -6.9144 -6.9127 -6.3196 -6.2917 -6.2247 -6.2247 -6.1308 -6.1019 0.9709 0.9950 1.1046 1.1216 1.5869 1.5945 1.7765 1.7847 2.3206 2.3268 2.3994 2.4076 2.5195 2.5516 2.6443 2.6644 2.8415 2.8773 2.9003 2.9500 3.1308 3.1720 3.2973 3.3811 3.7954 3.8041 4.0556 4.0725 4.1090 4.1619 4.1626 4.2040 4.3100 4.3225 4.3603 4.3914 4.5452 4.5914 4.5980 4.7190 4.7604 4.7665 4.8384 4.8566 4.9529 4.9851 5.2348 5.2894 5.4038 5.4655 5.6494 5.6555 5.9377 5.9412 8.3804 8.3976 8.4310 8.6173 8.7023 8.7256 8.9090 9.0834 9.0971 9.2474 10.1144 10.1188 11.8972 11.9242 k = 0.2805 0.2805-0.0000 ( 5956 PWs) bands (ev): -61.6193 -61.6193 -34.5461 -34.5461 -25.9091 -25.9091 -25.9079 -25.9079 -6.9359 -6.9343 -6.3105 -6.2834 -6.2157 -6.2155 -6.1255 -6.0976 0.9509 0.9742 1.0761 1.0929 1.5593 1.5685 1.8057 1.8115 2.3175 2.3232 2.3991 2.4028 2.5364 2.5690 2.6615 2.6829 2.8690 2.8807 2.9050 2.9808 3.1448 3.1840 3.3128 3.3976 3.7900 3.7985 4.0480 4.0529 4.0977 4.1639 4.1650 4.2064 4.3145 4.3238 4.3668 4.3963 4.5328 4.5868 4.6089 4.7316 4.7522 4.7585 4.8389 4.8519 4.9577 4.9861 5.2634 5.3122 5.3780 5.4389 5.6719 5.6775 5.9477 5.9508 8.3611 8.3905 8.4250 8.5999 8.6944 8.7183 8.8825 9.0553 9.0670 9.2209 10.0327 10.0382 11.9185 11.9462 k = 0.2683 0.2683-0.0000 ( 5954 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9090 -25.9090 -25.9079 -25.9079 -6.9571 -6.9556 -6.3012 -6.2751 -6.2065 -6.2062 -6.1204 -6.0937 0.9304 0.9528 1.0472 1.0637 1.5312 1.5409 1.8362 1.8406 2.3144 2.3197 2.3967 2.3975 2.5568 2.5882 2.6792 2.7018 2.8837 2.8975 2.9096 3.0114 3.1588 3.1961 3.3275 3.4125 3.7843 3.7922 4.0327 4.0360 4.0913 4.1660 4.1678 4.2102 4.3202 4.3254 4.3739 4.4015 4.5208 4.5767 4.6248 4.7292 4.7431 4.7648 4.8395 4.8486 4.9616 4.9859 5.2932 5.3322 5.3553 5.4115 5.6955 5.7005 5.9584 5.9611 8.3423 8.3833 8.4191 8.5822 8.6853 8.7096 8.8568 9.0268 9.0362 9.1929 9.9503 9.9570 11.9357 11.9628 k = 0.2561 0.2561-0.0000 ( 5950 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9089 -25.9089 -25.9078 -25.9078 -6.9781 -6.9767 -6.2919 -6.2669 -6.1971 -6.1967 -6.1156 -6.0902 0.9096 0.9311 1.0180 1.0342 1.5032 1.5129 1.8672 1.8708 2.3114 2.3162 2.3917 2.3927 2.5798 2.6087 2.6973 2.7211 2.8875 2.9141 2.9256 3.0416 3.1728 3.2081 3.3414 3.4257 3.7782 3.7853 4.0119 4.0195 4.0902 4.1684 4.1711 4.2155 4.3271 4.3274 4.3816 4.4068 4.5094 4.5670 4.6391 4.7181 4.7339 4.7793 4.8403 4.8467 4.9647 4.9850 5.3183 5.3233 5.3678 5.3850 5.7199 5.7241 5.9694 5.9718 8.3241 8.3759 8.4135 8.5645 8.6750 8.6990 8.8319 8.9981 9.0051 9.1636 9.8672 9.8751 11.9500 11.9753 k = 0.2439 0.2439-0.0000 ( 5952 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9088 -25.9088 -25.9078 -25.9078 -6.9986 -6.9973 -6.2825 -6.2588 -6.1876 -6.1871 -6.1111 -6.0871 0.8887 0.9090 0.9889 1.0047 1.4756 1.4849 1.8984 1.9014 2.3086 2.3128 2.3856 2.3877 2.6047 2.6302 2.7158 2.7407 2.8916 2.9187 2.9539 3.0710 3.1871 3.2202 3.3545 3.4372 3.7718 3.7776 3.9905 4.0000 4.0928 4.1708 4.1748 4.2224 4.3299 4.3350 4.3895 4.4121 4.4988 4.5578 4.6507 4.7054 4.7258 4.7947 4.8412 4.8460 4.9670 4.9834 5.2915 5.3405 5.3729 5.3951 5.7448 5.7482 5.9804 5.9824 8.3065 8.3680 8.4080 8.5471 8.6632 8.6867 8.8081 8.9696 8.9742 9.1331 9.7836 9.7927 11.9623 11.9857 k = 0.2317 0.2317-0.0000 ( 5952 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9086 -25.9086 -25.9077 -25.9077 -7.0186 -7.0175 -6.2731 -6.2508 -6.1781 -6.1775 -6.1068 -6.0844 0.8677 0.8870 0.9599 0.9752 1.4487 1.4574 1.9295 1.9322 2.3058 2.3095 2.3793 2.3821 2.6309 2.6527 2.7345 2.7603 2.8958 2.9232 2.9824 3.0992 3.2018 3.2323 3.3667 3.4470 3.7649 3.7694 3.9687 3.9786 4.0982 4.1732 4.1791 4.2312 4.3328 4.3440 4.3979 4.4172 4.4890 4.5491 4.6577 4.6925 4.7211 4.8095 4.8424 4.8463 4.9687 4.9815 5.2640 5.3199 5.4001 5.4252 5.7697 5.7724 5.9912 5.9926 8.2898 8.3595 8.4025 8.5300 8.6499 8.6724 8.7852 8.9417 8.9437 9.1018 9.6996 9.7098 11.9736 11.9953 k = 0.2195 0.2195-0.0000 ( 5952 PWs) bands (ev): -61.6193 -61.6193 -34.5459 -34.5459 -25.9085 -25.9085 -25.9077 -25.9077 -7.0380 -7.0370 -6.2638 -6.2430 -6.1687 -6.1679 -6.1027 -6.0820 0.8469 0.8650 0.9312 0.9459 1.4226 1.4306 1.9603 1.9627 2.3031 2.3064 2.3729 2.3760 2.6577 2.6756 2.7533 2.7798 2.9002 2.9278 3.0107 3.1258 3.2172 3.2446 3.3780 3.4553 3.7576 3.7605 3.9465 3.9562 4.1054 4.1757 4.1840 4.2416 4.3361 4.3538 4.4064 4.4218 4.4805 4.5408 4.6576 4.6797 4.7225 4.8227 4.8448 4.8475 4.9699 4.9794 5.2369 5.2927 5.4359 5.4574 5.7944 5.7964 6.0015 6.0024 8.2740 8.3502 8.3970 8.5136 8.6350 8.6563 8.7635 8.9139 8.9146 9.0698 9.6154 9.6266 11.9844 12.0043 k = 0.2073 0.2073-0.0000 ( 5956 PWs) bands (ev): -61.6193 -61.6193 -34.5459 -34.5459 -25.9084 -25.9084 -25.9077 -25.9077 -7.0568 -7.0559 -6.2546 -6.2355 -6.1592 -6.1584 -6.0988 -6.0800 0.8263 0.8433 0.9029 0.9171 1.3974 1.4045 1.9905 1.9927 2.3005 2.3033 2.3665 2.3697 2.6848 2.6989 2.7720 2.7992 2.9049 2.9323 3.0389 3.1504 3.2337 3.2570 3.3885 3.4621 3.7498 3.7511 3.9240 3.9329 4.1142 4.1782 4.1895 4.2536 4.3399 4.3645 4.4150 4.4251 4.4738 4.5329 4.6511 4.6671 4.7295 4.8318 4.8494 4.8506 4.9707 4.9775 5.2104 5.2651 5.4740 5.4916 5.8186 5.8200 6.0112 6.0115 8.2592 8.3402 8.3913 8.4978 8.6185 8.6384 8.7431 8.8852 8.8885 9.0374 9.5311 9.5432 11.9952 12.0134 k = 0.1951 0.1951-0.0000 ( 5956 PWs) bands (ev): -61.6194 -61.6194 -34.5459 -34.5459 -25.9083 -25.9083 -25.9076 -25.9076 -7.0749 -7.0741 -6.2456 -6.2282 -6.1500 -6.1490 -6.0951 -6.0781 0.8062 0.8220 0.8754 0.8889 1.3731 1.3794 2.0200 2.0220 2.2980 2.3003 2.3601 2.3633 2.7118 2.7223 2.7905 2.8181 2.9097 2.9367 3.0668 3.1727 3.2514 3.2698 3.3981 3.4674 3.7412 3.7415 3.9012 3.9092 4.1239 4.1809 4.1960 4.2670 4.3441 4.3759 4.4237 4.4263 4.4700 4.5256 4.6409 4.6549 4.7398 4.8355 4.8518 4.8609 4.9713 4.9759 5.1847 5.2378 5.5136 5.5277 5.8421 5.8430 6.0199 6.0201 8.2455 8.3293 8.3855 8.4827 8.6005 8.6189 8.7241 8.8578 8.8637 9.0049 9.4468 9.4598 12.0065 12.0230 k = 0.1829 0.1829-0.0000 ( 5954 PWs) bands (ev): -61.6193 -61.6193 -34.5459 -34.5459 -25.9082 -25.9082 -25.9076 -25.9076 -7.0922 -7.0915 -6.2369 -6.2213 -6.1409 -6.1398 -6.0916 -6.0766 0.7867 0.8013 0.8486 0.8614 1.3499 1.3553 2.0486 2.0504 2.2955 2.2974 2.3540 2.3570 2.7383 2.7455 2.8088 2.8366 2.9146 2.9410 3.0942 3.1925 3.2703 3.2829 3.4071 3.4716 3.7308 3.7327 3.8783 3.8852 4.1342 4.1835 4.2035 4.2816 4.3487 4.3877 4.4249 4.4323 4.4695 4.5187 4.6289 4.6429 4.7514 4.8365 4.8548 4.8732 4.9718 4.9747 5.1601 5.2111 5.5544 5.5653 5.8645 5.8651 6.0276 6.0284 8.2331 8.3179 8.3795 8.4682 8.5811 8.5981 8.7067 8.8318 8.8404 8.9725 9.3628 9.3766 12.0186 12.0336 k = 0.1707 0.1707-0.0000 ( 5956 PWs) bands (ev): -61.6194 -61.6194 -34.5459 -34.5459 -25.9081 -25.9081 -25.9075 -25.9075 -7.1086 -7.1081 -6.2285 -6.2148 -6.1321 -6.1310 -6.0882 -6.0752 0.7679 0.7814 0.8227 0.8348 1.3277 1.3323 2.0760 2.0776 2.2930 2.2946 2.3481 2.3509 2.7642 2.7684 2.8267 2.8543 2.9196 2.9451 3.1209 3.2100 3.2902 3.2964 3.4153 3.4746 3.7202 3.7234 3.8553 3.8610 4.1445 4.1863 4.2121 4.2972 4.3537 4.3997 4.4213 4.4406 4.4719 4.5123 4.6162 4.6313 4.7636 4.8364 4.8581 4.8858 4.9723 4.9739 5.1366 5.1852 5.5962 5.6042 5.8857 5.8860 6.0345 6.0359 8.2222 8.3061 8.3733 8.4540 8.5606 8.5762 8.6911 8.8072 8.8186 8.9404 9.2794 9.2938 12.0318 12.0455 k = 0.1585 0.1585-0.0000 ( 5948 PWs) bands (ev): -61.6193 -61.6193 -34.5458 -34.5458 -25.9080 -25.9080 -25.9075 -25.9075 -7.1241 -7.1237 -6.2205 -6.2086 -6.1235 -6.1224 -6.0850 -6.0739 0.7499 0.7622 0.7980 0.8093 1.3067 1.3105 2.1022 2.1037 2.2906 2.2918 2.3425 2.3452 2.7891 2.7908 2.8440 2.8711 2.9248 2.9491 3.1468 3.2257 3.3105 3.3106 3.4230 3.4767 3.7093 3.7137 3.8322 3.8368 4.1544 4.1892 4.2222 4.3134 4.3591 4.4106 4.4178 4.4486 4.4762 4.5065 4.6032 4.6201 4.7756 4.8357 4.8620 4.8981 4.9729 4.9737 5.1144 5.1603 5.6385 5.6442 5.9054 5.9057 6.0408 6.0427 8.2129 8.2945 8.3668 8.4400 8.5391 8.5536 8.6775 8.7842 8.7982 8.9088 9.1969 9.2116 12.0463 12.0589 k = 0.1463 0.1463-0.0000 ( 5954 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9079 -25.9079 -25.9075 -25.9075 -7.1387 -7.1384 -6.2129 -6.2029 -6.1154 -6.1142 -6.0819 -6.0727 0.7328 0.7441 0.7745 0.7851 1.2869 1.2901 2.1270 2.1283 2.2882 2.2891 2.3374 2.3398 2.8123 2.8128 2.8608 2.8868 2.9301 2.9529 3.1717 3.2400 3.3251 3.3310 3.4302 3.4780 3.6982 3.7035 3.8092 3.8127 4.1637 4.1921 4.2336 4.3300 4.3647 4.4097 4.4255 4.4560 4.4815 4.5011 4.5903 4.6092 4.7870 4.8347 4.8666 4.9100 4.9737 4.9740 5.0937 5.1364 5.6812 5.6849 5.9235 5.9237 6.0466 6.0489 8.2054 8.2833 8.3602 8.4260 8.5171 8.5306 8.6659 8.7626 8.7793 8.8779 9.1158 9.1306 12.0622 12.0739 k = 0.1341 0.1341-0.0000 ( 5950 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9078 -25.9078 -25.9074 -25.9074 -7.1523 -7.1521 -6.2059 -6.1977 -6.1077 -6.1065 -6.0790 -6.0717 0.7168 0.7270 0.7523 0.7621 1.2685 1.2710 2.1500 2.1511 2.2858 2.2864 2.3328 2.3349 2.8329 2.8351 2.8768 2.9014 2.9356 2.9565 3.1956 3.2533 3.3402 3.3508 3.4371 3.4786 3.6871 3.6930 3.7863 3.7889 4.1723 4.1950 4.2462 4.3465 4.3707 4.4048 4.4370 4.4626 4.4874 4.4965 4.5778 4.5986 4.7974 4.8333 4.8721 4.9214 4.9747 4.9748 5.0745 5.1137 5.7236 5.7258 5.9398 5.9401 6.0520 6.0547 8.1999 8.2732 8.3534 8.4119 8.4948 8.5076 8.6563 8.7425 8.7618 8.8478 9.0368 9.0510 12.0796 12.0905 k = 0.1220 0.1220-0.0000 ( 5954 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9077 -25.9077 -25.9074 -25.9074 -7.1649 -7.1647 -6.1994 -6.1929 -6.1004 -6.0993 -6.0762 -6.0706 0.7019 0.7111 0.7317 0.7407 1.2514 1.2533 2.1713 2.1723 2.2834 2.2838 2.3288 2.3305 2.8522 2.8557 2.8920 2.9145 2.9414 2.9599 3.2182 3.2659 3.3558 3.3700 3.4437 3.4788 3.6760 3.6822 3.7636 3.7653 4.1801 4.1979 4.2599 4.3626 4.3768 4.4000 4.4483 4.4682 4.4927 4.4934 4.5658 4.5882 4.8062 4.8318 4.8788 4.9322 4.9758 4.9760 5.0571 5.0923 5.7655 5.7664 5.9541 5.9545 6.0572 6.0601 8.1967 8.2646 8.3468 8.3977 8.4725 8.4849 8.6486 8.7239 8.7454 8.8181 8.9610 8.9736 12.0983 12.1085 k = 0.1098 0.1098-0.0000 ( 5950 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9076 -25.9076 -25.9074 -25.9074 -7.1764 -7.1762 -6.1936 -6.1885 -6.0936 -6.0926 -6.0737 -6.0696 0.6882 0.6964 0.7127 0.7208 1.2357 1.2371 2.1908 2.1916 2.2810 2.2812 2.3255 2.3269 2.8701 2.8745 2.9064 2.9262 2.9473 2.9630 3.2396 3.2778 3.3717 3.3881 3.4501 3.4786 3.6651 3.6711 3.7412 3.7423 4.1871 4.2008 4.2742 4.3779 4.3829 4.3959 4.4587 4.4722 4.4901 4.4994 4.5546 4.5782 4.8130 4.8301 4.8870 4.9423 4.9770 4.9774 5.0417 5.0726 5.8061 5.8061 5.9664 5.9669 6.0625 6.0654 8.1961 8.2580 8.3403 8.3835 8.4505 8.4629 8.6424 8.7065 8.7296 8.7881 8.8902 8.8991 12.1181 12.1277 k = 0.0976 0.0976-0.0000 ( 5948 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9075 -25.9075 -25.9074 -25.9074 -7.1868 -7.1867 -6.1884 -6.1846 -6.0875 -6.0865 -6.0714 -6.0685 0.6758 0.6830 0.6954 0.7027 1.2215 1.2225 2.2082 2.2088 2.2787 2.2787 2.3229 2.3241 2.8864 2.8912 2.9200 2.9365 2.9536 2.9659 3.2596 3.2892 3.3878 3.4052 3.4564 3.4784 3.6543 3.6599 3.7193 3.7198 4.1934 4.2036 4.2890 4.3887 4.3921 4.3926 4.4682 4.4743 4.4888 4.5052 4.5447 4.5683 4.8176 4.8282 4.8967 4.9516 4.9780 4.9789 5.0285 5.0545 5.8443 5.8448 5.9767 5.9772 6.0680 6.0708 8.1982 8.2537 8.3343 8.3696 8.4291 8.4418 8.6373 8.6900 8.7124 8.7559 8.8288 8.8289 12.1388 12.1477 k = 0.0854 0.0854-0.0000 ( 5952 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9075 -25.9075 -25.9074 -25.9073 -7.1960 -7.1959 -6.1838 -6.1812 -6.0819 -6.0810 -6.0693 -6.0675 0.6647 0.6710 0.6800 0.6864 1.2088 1.2095 2.2234 2.2239 2.2763 2.2764 2.3212 2.3220 2.9007 2.9054 2.9325 2.9456 2.9598 2.9686 3.2781 3.3001 3.4039 3.4212 3.4626 3.4782 3.6439 3.6488 3.6979 3.6981 4.1991 4.2063 4.3038 4.3901 4.3942 4.4043 4.4751 4.4766 4.4881 4.5105 4.5367 4.5587 4.8202 4.8263 4.9074 4.9597 4.9787 4.9804 5.0176 5.0385 5.8801 5.8809 5.9850 5.9855 6.0739 6.0764 8.2033 8.2522 8.3289 8.3563 8.4086 8.4218 8.6316 8.6734 8.6850 8.7250 8.7659 8.7833 12.1598 12.1680 k = 0.0732 0.0732-0.0000 ( 5948 PWs) bands (ev): -61.6194 -61.6194 -34.5457 -34.5457 -25.9074 -25.9074 -25.9073 -25.9073 -7.2041 -7.2040 -6.1799 -6.1782 -6.0770 -6.0762 -6.0675 -6.0665 0.6551 0.6604 0.6665 0.6720 1.1976 1.1981 2.2363 2.2366 2.2740 2.2743 2.3202 2.3208 2.9129 2.9170 2.9440 2.9540 2.9657 2.9712 3.2948 3.3102 3.4199 3.4360 3.4687 3.4783 3.6340 3.6379 3.6772 3.6773 4.2040 4.2088 4.3186 4.3886 4.3988 4.4142 4.4760 4.4837 4.4869 4.5154 4.5313 4.5492 4.8211 4.8244 4.9187 4.9666 4.9786 4.9817 5.0096 5.0248 5.9126 5.9134 5.9915 5.9919 6.0802 6.0822 8.2118 8.2539 8.3244 8.3442 8.3894 8.4031 8.6183 8.6378 8.6572 8.7063 8.7172 8.7524 12.1806 12.1875 k = 0.0610 0.0610-0.0000 ( 5960 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5457 -25.9074 -25.9074 -25.9073 -25.9073 -7.2109 -7.2109 -6.1767 -6.1757 -6.0727 -6.0720 -6.0659 -6.0656 0.6469 0.6513 0.6550 0.6596 1.1881 1.1883 2.2467 2.2469 2.2720 2.2723 2.3201 2.3204 2.9230 2.9260 2.9543 2.9617 2.9709 2.9736 3.3097 3.3195 3.4354 3.4496 3.4746 3.4789 3.6247 3.6274 3.6576 3.6576 4.2082 4.2111 4.3331 4.3881 4.4021 4.4208 4.4776 4.4852 4.4894 4.5197 4.5284 4.5399 4.8208 4.8224 4.9300 4.9719 4.9774 4.9824 5.0046 5.0138 5.9409 5.9417 5.9963 5.9966 6.0869 6.0884 8.2237 8.2590 8.3210 8.3335 8.3717 8.3860 8.5835 8.5840 8.6486 8.6892 8.6944 8.7295 12.2002 12.2048 k = 0.0488 0.0488-0.0000 ( 5984 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9074 -25.9074 -25.9073 -25.9073 -7.2166 -7.2165 -6.1742 -6.1736 -6.0692 -6.0686 -6.0647 -6.0647 0.6403 0.6438 0.6456 0.6492 1.1802 1.1803 2.2547 2.2548 2.2703 2.2706 2.3205 2.3207 2.9309 2.9327 2.9633 2.9686 2.9751 2.9758 3.3222 3.3277 3.4501 3.4620 3.4800 3.4802 3.6161 3.6177 3.6392 3.6394 4.2115 4.2131 4.3472 4.3886 4.4039 4.4235 4.4795 4.4847 4.4937 4.5231 4.5275 4.5308 4.8198 4.8205 4.9406 4.9751 4.9753 4.9817 5.0022 5.0063 5.9644 5.9649 5.9998 6.0000 6.0938 6.0947 8.2392 8.2678 8.3190 8.3248 8.3559 8.3707 8.5305 8.5364 8.6472 8.6753 8.6852 8.7111 12.2174 12.2187 k = 0.0366 0.0366-0.0000 ( 5991 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9074 -25.9074 -25.9073 -25.9073 -7.2210 -7.2210 -6.1722 -6.1720 -6.0664 -6.0660 -6.0639 -6.0637 0.6351 0.6378 0.6383 0.6411 1.1741 1.1741 2.2605 2.2605 2.2689 2.2692 2.3214 2.3215 2.9367 2.9375 2.9706 2.9744 2.9779 2.9783 3.3321 3.3346 3.4637 3.4729 3.4822 3.4846 3.6087 3.6093 3.6229 3.6233 4.2141 4.2148 4.3608 4.3900 4.4040 4.4218 4.4814 4.4872 4.4967 4.5214 4.5262 4.5277 4.8186 4.8188 4.9503 4.9728 4.9766 4.9795 5.0015 5.0027 5.9825 5.9828 6.0022 6.0023 6.1005 6.1009 8.2584 8.2803 8.3184 8.3187 8.3425 8.3572 8.4816 8.4876 8.6488 8.6680 8.6777 8.6959 12.2294 12.2306 k = 0.0244 0.0244-0.0000 ( 6007 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9074 -25.9074 -25.9073 -25.9073 -7.2241 -7.2241 -6.1709 -6.1708 -6.0644 -6.0641 -6.0633 -6.0631 0.6316 0.6332 0.6334 0.6350 1.1696 1.1696 2.2643 2.2644 2.2679 2.2681 2.3224 2.3224 2.9405 2.9408 2.9762 2.9786 2.9796 2.9805 3.3392 3.3400 3.4755 3.4818 3.4847 3.4878 3.6027 3.6028 3.6095 3.6100 4.2159 4.2161 4.3739 4.3921 4.4028 4.4163 4.4848 4.4910 4.4982 4.5129 4.5278 4.5282 4.8174 4.8175 4.9587 4.9711 4.9755 4.9770 5.0015 5.0017 5.9951 5.9952 6.0037 6.0038 6.1061 6.1063 8.2805 8.2953 8.3162 8.3195 8.3323 8.3458 8.4385 8.4425 8.6523 8.6642 8.6717 8.6832 12.2377 12.2389 k = 0.0122 0.0122-0.0000 ( 6031 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9074 -25.9074 -25.9074 -25.9074 -7.2260 -7.2260 -6.1701 -6.1701 -6.0632 -6.0630 -6.0629 -6.0627 0.6297 0.6303 0.6306 0.6312 1.1669 1.1669 2.2665 2.2665 2.2673 2.2674 2.3231 2.3231 2.9427 2.9427 2.9799 2.9809 2.9810 2.9815 3.3433 3.3434 3.4842 3.4871 3.4874 3.4893 3.5986 3.5988 3.6004 3.6007 4.2169 4.2169 4.3862 4.3948 4.4005 4.4079 4.4902 4.4944 4.4982 4.5046 4.5286 4.5287 4.8166 4.8166 4.9656 4.9704 4.9727 4.9746 5.0016 5.0017 6.0025 6.0025 6.0046 6.0046 6.1100 6.1100 8.3017 8.3063 8.3221 8.3226 8.3273 8.3366 8.4035 8.4048 8.6574 8.6631 8.6671 8.6727 12.2435 12.2438 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9074 -25.9074 -25.9074 -25.9074 -7.2267 -7.2267 -6.1699 -6.1699 -6.0627 -6.0627 -6.0627 -6.0627 0.6295 0.6295 0.6295 0.6295 1.1660 1.1660 2.2672 2.2672 2.2672 2.2672 2.3234 2.3234 2.9434 2.9434 2.9815 2.9815 2.9815 2.9815 3.3446 3.3446 3.4887 3.4887 3.4887 3.4887 3.5973 3.5973 3.5973 3.5973 4.2172 4.2172 4.3977 4.3977 4.3977 4.3977 4.4970 4.4970 4.4970 4.4970 4.5289 4.5289 4.8163 4.8163 4.9709 4.9709 4.9709 4.9709 5.0017 5.0017 6.0049 6.0049 6.0049 6.0049 6.1113 6.1113 8.3089 8.3089 8.3297 8.3297 8.3297 8.3297 8.3865 8.3865 8.6642 8.6642 8.6642 8.6642 12.2458 12.2458 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9074 -25.9074 -25.9074 -25.9074 -7.2267 -7.2267 -6.1699 -6.1699 -6.0627 -6.0627 -6.0627 -6.0627 0.6295 0.6295 0.6295 0.6295 1.1660 1.1660 2.2672 2.2672 2.2672 2.2672 2.3234 2.3234 2.9434 2.9434 2.9815 2.9815 2.9815 2.9815 3.3446 3.3446 3.4887 3.4887 3.4887 3.4887 3.5973 3.5973 3.5973 3.5973 4.2172 4.2172 4.3977 4.3977 4.3977 4.3977 4.4970 4.4970 4.4970 4.4970 4.5289 4.5289 4.8163 4.8163 4.9709 4.9709 4.9709 4.9709 5.0017 5.0017 6.0049 6.0049 6.0049 6.0049 6.1113 6.1113 8.3089 8.3089 8.3297 8.3297 8.3297 8.3297 8.3865 8.3865 8.6642 8.6642 8.6642 8.6642 12.2458 12.2458 k = 0.0100 0.0100 0.0100 ( 6031 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9074 -25.9074 -25.9074 -25.9074 -7.2260 -7.2260 -6.1701 -6.1701 -6.0631 -6.0630 -6.0630 -6.0628 0.6297 0.6304 0.6304 0.6312 1.1669 1.1669 2.2665 2.2665 2.2673 2.2674 2.3231 2.3231 2.9427 2.9427 2.9799 2.9810 2.9810 2.9813 3.3434 3.3434 3.4844 3.4874 3.4874 3.4889 3.5993 3.5993 3.5998 3.6002 4.2169 4.2169 4.3857 4.3977 4.3977 4.4082 4.4900 4.4962 4.4962 4.5050 4.5287 4.5287 4.8166 4.8166 4.9653 4.9717 4.9717 4.9747 5.0017 5.0017 6.0023 6.0023 6.0047 6.0047 6.1100 6.1100 8.3038 8.3038 8.3236 8.3236 8.3248 8.3368 8.4043 8.4043 8.6572 8.6651 8.6651 8.6730 12.2436 12.2436 k = 0.0200 0.0200 0.0200 ( 6007 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9074 -25.9074 -25.9073 -25.9073 -7.2241 -7.2241 -6.1709 -6.1709 -6.0640 -6.0638 -6.0638 -6.0635 0.6319 0.6333 0.6333 0.6348 1.1697 1.1697 2.2645 2.2645 2.2677 2.2679 2.3224 2.3224 2.9407 2.9407 2.9764 2.9793 2.9795 2.9795 3.3396 3.3396 3.4767 3.4835 3.4835 3.4852 3.6052 3.6052 3.6074 3.6079 4.2160 4.2160 4.3730 4.3976 4.3976 4.4167 4.4851 4.4941 4.4941 4.5137 4.5279 4.5279 4.8174 4.8174 4.9580 4.9738 4.9738 4.9766 5.0017 5.0017 5.9946 5.9946 6.0041 6.0042 6.1062 6.1062 8.2868 8.2868 8.3221 8.3236 8.3236 8.3462 8.4410 8.4410 8.6519 8.6680 8.6680 8.6836 12.2380 12.2380 k = 0.0300 0.0300 0.0300 ( 5989 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9074 -25.9074 -25.9073 -25.9073 -7.2209 -7.2209 -6.1721 -6.1721 -6.0654 -6.0651 -6.0651 -6.0646 0.6360 0.6381 0.6381 0.6404 1.1741 1.1741 2.2610 2.2610 2.2685 2.2688 2.3213 2.3213 2.9372 2.9372 2.9711 2.9753 2.9771 2.9771 3.3335 3.3335 3.4669 3.4776 3.4776 3.4789 3.6143 3.6143 3.6188 3.6191 4.2145 4.2145 4.3595 4.3975 4.3975 4.4217 4.4833 4.4907 4.4907 4.5227 4.5268 4.5268 4.8187 4.8187 4.9489 4.9765 4.9765 4.9768 5.0024 5.0024 5.9811 5.9811 6.0032 6.0033 6.1009 6.1009 8.2684 8.2684 8.3214 8.3293 8.3293 8.3576 8.4855 8.4855 8.6484 8.6732 8.6732 8.6960 12.2301 12.2301 k = 0.0400 0.0400 0.0400 ( 5983 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9074 -25.9074 -25.9073 -25.9073 -7.2165 -7.2165 -6.1739 -6.1739 -6.0673 -6.0670 -6.0670 -6.0663 0.6421 0.6447 0.6447 0.6479 1.1804 1.1804 2.2557 2.2557 2.2696 2.2700 2.3203 2.3203 2.9323 2.9323 2.9640 2.9694 2.9737 2.9737 3.3255 3.3255 3.4559 3.4700 3.4700 3.4709 3.6258 3.6258 3.6327 3.6328 4.2123 4.2123 4.3455 4.3971 4.3971 4.4224 4.4856 4.4861 4.4861 4.5251 4.5251 4.5319 4.8201 4.8201 4.9382 4.9754 4.9786 4.9786 5.0055 5.0055 5.9615 5.9615 6.0018 6.0020 6.0949 6.0949 8.2531 8.2531 8.3226 8.3381 8.3381 8.3710 8.5346 8.5346 8.6468 8.6816 8.6816 8.7102 12.2208 12.2208 k = 0.0500 0.0500 0.0500 ( 5962 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9074 -25.9074 -25.9073 -25.9073 -7.2108 -7.2108 -6.1761 -6.1761 -6.0697 -6.0693 -6.0693 -6.0685 0.6500 0.6532 0.6532 0.6573 1.1883 1.1883 2.2482 2.2482 2.2711 2.2715 2.3195 2.3195 2.9258 2.9258 2.9554 2.9618 2.9697 2.9697 3.3159 3.3159 3.4446 3.4609 3.4609 3.4622 3.6391 3.6391 3.6481 3.6486 4.2097 4.2097 4.3310 4.3964 4.3964 4.4192 4.4805 4.4805 4.4917 4.5231 4.5231 4.5413 4.8216 4.8216 4.9264 4.9726 4.9788 4.9788 5.0123 5.0123 5.9356 5.9356 5.9998 6.0002 6.0888 6.0888 8.2417 8.2417 8.3255 8.3492 8.3492 8.3860 8.5851 8.5851 8.6470 8.6954 8.6954 8.7262 12.2105 12.2105 k = 0.0600 0.0600 0.0600 ( 5950 PWs) bands (ev): -61.6194 -61.6194 -34.5457 -34.5457 -25.9074 -25.9074 -25.9073 -25.9073 -7.2038 -7.2038 -6.1788 -6.1788 -6.0726 -6.0722 -6.0722 -6.0711 0.6597 0.6634 0.6634 0.6685 1.1980 1.1980 2.2386 2.2386 2.2728 2.2733 2.3191 2.3191 2.9177 2.9177 2.9451 2.9522 2.9649 2.9649 3.3048 3.3048 3.4332 3.4505 3.4505 3.4531 3.6539 3.6539 3.6648 3.6655 4.2065 4.2065 4.3162 4.3953 4.3953 4.4134 4.4742 4.4742 4.5002 4.5209 4.5209 4.5505 4.8230 4.8230 4.9135 4.9686 4.9772 4.9772 5.0231 5.0231 5.9039 5.9039 5.9973 5.9980 6.0830 6.0830 8.2340 8.2340 8.3297 8.3623 8.3623 8.4024 8.6304 8.6304 8.6492 8.7204 8.7204 8.7440 12.1995 12.1995 k = 0.0700 0.0700 0.0700 ( 5944 PWs) bands (ev): -61.6193 -61.6193 -34.5457 -34.5457 -25.9074 -25.9074 -25.9074 -25.9074 -7.1957 -7.1957 -6.1820 -6.1820 -6.0760 -6.0756 -6.0756 -6.0743 0.6712 0.6754 0.6754 0.6815 1.2092 1.2092 2.2267 2.2267 2.2749 2.2754 2.3193 2.3193 2.9080 2.9080 2.9333 2.9409 2.9596 2.9596 3.2927 3.2927 3.4220 3.4388 3.4388 3.4440 3.6696 3.6696 3.6826 3.6831 4.2029 4.2029 4.3011 4.3934 4.3934 4.4060 4.4673 4.4673 4.5099 4.5187 4.5187 4.5597 4.8240 4.8240 4.8999 4.9637 4.9744 4.9744 5.0372 5.0372 5.8671 5.8671 5.9942 5.9952 6.0772 6.0772 8.2300 8.2300 8.3352 8.3769 8.3769 8.4196 8.6535 8.6627 8.6627 8.7636 8.7641 8.7641 12.1883 12.1883 k = 0.0800 0.0800 0.0800 ( 5953 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9075 -25.9075 -25.9074 -25.9074 -7.1863 -7.1863 -6.1856 -6.1856 -6.0798 -6.0794 -6.0794 -6.0779 0.6845 0.6890 0.6890 0.6962 1.2219 1.2219 2.2125 2.2125 2.2774 2.2778 2.3200 2.3200 2.8966 2.8966 2.9200 2.9280 2.9538 2.9538 3.2795 3.2795 3.4111 3.4261 3.4261 3.4349 3.6860 3.6860 3.7011 3.7012 4.1990 4.1990 4.2857 4.3906 4.3906 4.3979 4.4603 4.4603 4.5166 4.5166 4.5202 4.5687 4.8247 4.8247 4.8859 4.9582 4.9711 4.9711 5.0540 5.0540 5.8261 5.8261 5.9903 5.9919 6.0714 6.0714 8.2294 8.2294 8.3414 8.3925 8.3925 8.4371 8.6603 8.6845 8.6845 8.7850 8.8233 8.8233 12.1769 12.1769 k = 0.0900 0.0900 0.0900 ( 5941 PWs) bands (ev): -61.6193 -61.6193 -34.5458 -34.5458 -25.9075 -25.9075 -25.9075 -25.9075 -7.1758 -7.1758 -6.1896 -6.1896 -6.0840 -6.0837 -6.0837 -6.0819 0.6993 0.7042 0.7042 0.7125 1.2361 1.2361 2.1960 2.1960 2.2801 2.2805 2.3213 2.3213 2.8837 2.8837 2.9056 2.9136 2.9476 2.9476 3.2653 3.2653 3.4007 3.4124 3.4124 3.4261 3.7028 3.7028 3.7195 3.7203 4.1948 4.1948 4.2702 4.3865 4.3865 4.3894 4.4535 4.4535 4.5148 4.5148 4.5308 4.5774 4.8251 4.8251 4.8719 4.9524 4.9676 4.9676 5.0735 5.0735 5.7818 5.7818 5.9858 5.9878 6.0655 6.0655 8.2320 8.2320 8.3483 8.4090 8.4090 8.4544 8.6697 8.7028 8.7028 8.8080 8.8906 8.8906 12.1654 12.1654 k = 0.1000 0.1000 0.1000 ( 5944 PWs) bands (ev): -61.6193 -61.6193 -34.5458 -34.5458 -25.9076 -25.9075 -25.9075 -25.9075 -7.1641 -7.1641 -6.1940 -6.1940 -6.0887 -6.0884 -6.0884 -6.0864 0.7157 0.7208 0.7208 0.7303 1.2517 1.2517 2.1777 2.1777 2.2832 2.2835 2.3231 2.3231 2.8693 2.8693 2.8899 2.8977 2.9411 2.9411 3.2502 3.2502 3.3906 3.3979 3.3979 3.4173 3.7199 3.7199 3.7379 3.7400 4.1904 4.1904 4.2547 4.3807 4.3810 4.3810 4.4471 4.4471 4.5134 4.5134 4.5412 4.5859 4.8252 4.8252 4.8583 4.9466 4.9641 4.9641 5.0952 5.0952 5.7349 5.7349 5.9805 5.9831 6.0591 6.0591 8.2375 8.2375 8.3555 8.4257 8.4257 8.4709 8.6820 8.7210 8.7210 8.8325 8.9618 8.9618 12.1537 12.1537 k = 0.1100 0.1100 0.1100 ( 5944 PWs) bands (ev): -61.6193 -61.6193 -34.5458 -34.5458 -25.9076 -25.9076 -25.9076 -25.9076 -7.1514 -7.1514 -6.1988 -6.1988 -6.0937 -6.0935 -6.0935 -6.0912 0.7335 0.7388 0.7388 0.7496 1.2685 1.2685 2.1572 2.1572 2.2865 2.2868 2.3253 2.3253 2.8536 2.8536 2.8732 2.8807 2.9342 2.9342 3.2341 3.2341 3.3810 3.3828 3.3828 3.4087 3.7370 3.7370 3.7562 3.7600 4.1860 4.1860 4.2392 4.3722 4.3741 4.3741 4.4414 4.4414 4.5126 4.5126 4.5513 4.5939 4.8251 4.8251 4.8453 4.9410 4.9606 4.9606 5.1190 5.1190 5.6860 5.6860 5.9744 5.9777 6.0523 6.0523 8.2456 8.2456 8.3629 8.4425 8.4425 8.4862 8.6973 8.7403 8.7403 8.8585 9.0352 9.0352 12.1414 12.1414 k = 0.1200 0.1200 0.1200 ( 5959 PWs) bands (ev): -61.6194 -61.6194 -34.5458 -34.5458 -25.9077 -25.9077 -25.9077 -25.9077 -7.1375 -7.1375 -6.2040 -6.2040 -6.0991 -6.0990 -6.0990 -6.0965 0.7526 0.7581 0.7581 0.7702 1.2864 1.2864 2.1348 2.1348 2.2902 2.2903 2.3278 2.3278 2.8367 2.8367 2.8556 2.8625 2.9269 2.9269 3.2167 3.2167 3.3673 3.3673 3.3716 3.4002 3.7540 3.7540 3.7743 3.7804 4.1816 4.1816 4.2239 4.3638 4.3658 4.3658 4.4364 4.4364 4.5123 4.5123 4.5608 4.6015 4.8250 4.8250 4.8334 4.9359 4.9571 4.9571 5.1446 5.1446 5.6359 5.6359 5.9676 5.9716 6.0450 6.0450 8.2562 8.2562 8.3702 8.4592 8.4592 8.4997 8.7156 8.7612 8.7612 8.8857 9.1094 9.1094 12.1284 12.1284 k = 0.1300 0.1300 0.1300 ( 5953 PWs) bands (ev): -61.6194 -61.6194 -34.5459 -34.5459 -25.9078 -25.9078 -25.9077 -25.9077 -7.1227 -7.1227 -6.2095 -6.2095 -6.1049 -6.1048 -6.1048 -6.1020 0.7730 0.7785 0.7785 0.7920 1.3052 1.3052 2.1109 2.1109 2.2940 2.2942 2.3307 2.3307 2.8189 2.8189 2.8373 2.8435 2.9194 2.9194 3.1980 3.1980 3.3516 3.3516 3.3624 3.3917 3.7707 3.7707 3.7922 3.8009 4.1775 4.1775 4.2090 4.3559 4.3567 4.3567 4.4320 4.4320 4.5127 4.5127 4.5697 4.6086 4.8229 4.8250 4.8250 4.9316 4.9538 4.9538 5.1720 5.1720 5.5851 5.5851 5.9600 5.9648 6.0372 6.0372 8.2689 8.2689 8.3772 8.4755 8.4755 8.5115 8.7368 8.7840 8.7840 8.9140 9.1837 9.1837 12.1145 12.1145 k = 0.1400 0.1400 0.1400 ( 5956 PWs) bands (ev): -61.6194 -61.6194 -34.5459 -34.5459 -25.9078 -25.9078 -25.9078 -25.9078 -7.1068 -7.1068 -6.2153 -6.2153 -6.1109 -6.1109 -6.1109 -6.1079 0.7944 0.7999 0.7999 0.8148 1.3249 1.3249 2.0853 2.0853 2.2980 2.2984 2.3338 2.3338 2.8003 2.8003 2.8184 2.8238 2.9117 2.9117 3.1778 3.1778 3.3361 3.3361 3.3535 3.3831 3.7870 3.7870 3.8097 3.8214 4.1735 4.1735 4.1946 4.3469 4.3469 4.3485 4.4280 4.4280 4.5137 4.5137 4.5776 4.6152 4.8142 4.8252 4.8252 4.9281 4.9504 4.9504 5.2011 5.2011 5.5339 5.5339 5.9518 5.9573 6.0288 6.0288 8.2834 8.2834 8.3839 8.4915 8.4915 8.5216 8.7606 8.8087 8.8087 8.9433 9.2573 9.2573 12.0997 12.0997 k = 0.1500 0.1500 0.1500 ( 5947 PWs) bands (ev): -61.6193 -61.6193 -34.5459 -34.5459 -25.9079 -25.9079 -25.9079 -25.9079 -7.0900 -7.0900 -6.2213 -6.2213 -6.1173 -6.1173 -6.1172 -6.1141 0.8168 0.8221 0.8221 0.8386 1.3452 1.3452 2.0584 2.0584 2.3022 2.3030 2.3371 2.3371 2.7811 2.7811 2.7992 2.8037 2.9038 2.9038 3.1562 3.1562 3.3209 3.3209 3.3446 3.3745 3.8027 3.8027 3.8266 3.8418 4.1699 4.1699 4.1811 4.3369 4.3369 4.3419 4.4244 4.4244 4.5154 4.5154 4.5844 4.6211 4.8075 4.8256 4.8256 4.9256 4.9469 4.9469 5.2315 5.2315 5.4829 5.4829 5.9430 5.9493 6.0200 6.0200 8.2994 8.2994 8.3901 8.5073 8.5073 8.5300 8.7865 8.8351 8.8351 8.9733 9.3293 9.3293 12.0843 12.0843 k = 0.1600 0.1600 0.1600 ( 5959 PWs) bands (ev): -61.6194 -61.6194 -34.5459 -34.5459 -25.9080 -25.9080 -25.9080 -25.9080 -7.0723 -7.0723 -6.2277 -6.2277 -6.1240 -6.1240 -6.1238 -6.1205 0.8399 0.8449 0.8449 0.8632 1.3660 1.3660 2.0301 2.0301 2.3065 2.3077 2.3406 2.3406 2.7617 2.7617 2.7797 2.7833 2.8956 2.8956 3.1330 3.1330 3.3061 3.3061 3.3358 3.3658 3.8177 3.8177 3.8430 3.8618 4.1667 4.1667 4.1685 4.3271 4.3271 4.3361 4.4210 4.4210 4.5176 4.5176 4.5897 4.6263 4.8030 4.8263 4.8263 4.9242 4.9432 4.9432 5.2632 5.2632 5.4322 5.4322 5.9336 5.9407 6.0107 6.0107 8.3164 8.3164 8.3957 8.5233 8.5233 8.5369 8.8142 8.8631 8.8631 9.0039 9.3994 9.3994 12.0685 12.0685 k = 0.1700 0.1700 0.1700 ( 5953 PWs) bands (ev): -61.6193 -61.6193 -34.5459 -34.5459 -25.9081 -25.9081 -25.9081 -25.9081 -7.0538 -7.0538 -6.2342 -6.2342 -6.1309 -6.1309 -6.1306 -6.1272 0.8637 0.8683 0.8683 0.8883 1.3869 1.3869 2.0009 2.0009 2.3111 2.3127 2.3442 2.3442 2.7422 2.7422 2.7601 2.7628 2.8873 2.8873 3.1084 3.1084 3.2918 3.2918 3.3269 3.3568 3.8319 3.8319 3.8587 3.8812 4.1572 4.1640 4.1640 4.3177 4.3177 4.3313 4.4177 4.4177 4.5203 4.5203 4.5935 4.6309 4.8010 4.8274 4.8274 4.9240 4.9392 4.9392 5.2961 5.2961 5.3826 5.3826 5.9239 5.9317 6.0011 6.0011 8.3340 8.3340 8.4006 8.5399 8.5399 8.5425 8.8432 8.8923 8.8923 9.0349 9.4669 9.4669 12.0528 12.0528 k = 0.1800 0.1800 0.1800 ( 5965 PWs) bands (ev): -61.6194 -61.6194 -34.5460 -34.5460 -25.9082 -25.9082 -25.9082 -25.9082 -7.0344 -7.0344 -6.2409 -6.2409 -6.1379 -6.1379 -6.1375 -6.1341 0.8879 0.8919 0.8919 0.9139 1.4076 1.4076 1.9708 1.9708 2.3157 2.3179 2.3480 2.3480 2.7230 2.7230 2.7407 2.7426 2.8789 2.8789 3.0826 3.0826 3.2781 3.2781 3.3179 3.3476 3.8452 3.8452 3.8736 3.8999 4.1473 4.1618 4.1618 4.3089 4.3089 4.3275 4.4146 4.4146 4.5235 4.5235 4.5956 4.6348 4.8014 4.8286 4.8286 4.9249 4.9348 4.9348 5.3268 5.3268 5.3372 5.3372 5.9139 5.9224 5.9912 5.9912 8.3515 8.3515 8.4048 8.5470 8.5574 8.5574 8.8732 8.9227 8.9227 9.0662 9.5314 9.5314 12.0346 12.0384 k = 0.1900 0.1900 0.1900 ( 5965 PWs) bands (ev): -61.6194 -61.6194 -34.5460 -34.5460 -25.9083 -25.9083 -25.9083 -25.9083 -7.0144 -7.0144 -6.2478 -6.2478 -6.1451 -6.1451 -6.1447 -6.1411 0.9125 0.9157 0.9157 0.9397 1.4279 1.4279 1.9402 1.9402 2.3204 2.3234 2.3517 2.3517 2.7043 2.7043 2.7217 2.7227 2.8704 2.8704 3.0560 3.0560 3.2649 3.2649 3.3088 3.3382 3.8575 3.8575 3.8879 3.9175 4.1393 4.1601 4.1601 4.3009 4.3009 4.3249 4.4117 4.4117 4.5271 4.5271 4.5962 4.6381 4.8043 4.8301 4.8301 4.9269 4.9299 4.9299 5.2862 5.2862 5.3656 5.3656 5.9038 5.9129 5.9813 5.9813 8.3684 8.3684 8.4083 8.5504 8.5765 8.5765 8.9039 8.9539 8.9539 9.0976 9.5925 9.5925 12.0076 12.0103 k = 0.2000 0.2000 0.2000 ( 5962 PWs) bands (ev): -61.6194 -61.6194 -34.5460 -34.5460 -25.9084 -25.9084 -25.9084 -25.9083 -6.9937 -6.9937 -6.2548 -6.2548 -6.1525 -6.1525 -6.1519 -6.1483 0.9371 0.9394 0.9394 0.9656 1.4473 1.4473 1.9092 1.9092 2.3253 2.3290 2.3555 2.3555 2.6864 2.6864 2.7034 2.7036 2.8618 2.8618 3.0288 3.0288 3.2521 3.2521 3.2994 3.3284 3.8688 3.8688 3.9014 3.9336 4.1336 4.1589 4.1589 4.2939 4.2939 4.3235 4.4089 4.4089 4.5309 4.5309 4.5952 4.6407 4.8093 4.8316 4.8316 4.9244 4.9244 4.9299 5.2409 5.2409 5.4013 5.4013 5.8938 5.9035 5.9715 5.9715 8.3840 8.3840 8.4111 8.5528 8.5975 8.5975 8.9351 8.9857 8.9857 9.1289 9.6501 9.6501 11.9772 11.9774 k = 0.2100 0.2100 0.2100 ( 5950 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9084 -25.9084 -25.9084 -25.9084 -6.9724 -6.9724 -6.2619 -6.2619 -6.1599 -6.1599 -6.1593 -6.1556 0.9616 0.9628 0.9628 0.9913 1.4655 1.4655 1.8783 1.8783 2.3301 2.3347 2.3591 2.3591 2.6696 2.6696 2.6855 2.6858 2.8531 2.8531 3.0015 3.0015 3.2397 3.2397 3.2898 3.3183 3.8792 3.8792 3.9143 3.9481 4.1304 4.1582 4.1582 4.2879 4.2879 4.3233 4.4062 4.4062 4.5350 4.5350 4.5931 4.6427 4.8161 4.8328 4.8328 4.9184 4.9184 4.9338 5.1977 5.1977 5.4377 5.4377 5.8842 5.8944 5.9619 5.9619 8.3980 8.3980 8.4131 8.5544 8.6209 8.6209 8.9665 9.0179 9.0179 9.1600 9.7041 9.7041 11.9403 11.9435 k = 0.2200 0.2200 0.2200 ( 5950 PWs) bands (ev): -61.6193 -61.6193 -34.5461 -34.5461 -25.9086 -25.9086 -25.9085 -25.9085 -6.9506 -6.9506 -6.2691 -6.2691 -6.1674 -6.1674 -6.1667 -6.1629 0.9856 0.9856 0.9858 1.0166 1.4818 1.4818 1.8478 1.8478 2.3349 2.3405 2.3626 2.3626 2.6541 2.6541 2.6685 2.6693 2.8444 2.8444 2.9745 2.9745 3.2275 3.2275 3.2799 3.3079 3.8886 3.8886 3.9265 3.9605 4.1300 4.1579 4.1579 4.2829 4.2829 4.3241 4.4036 4.4036 4.5393 4.5393 4.5898 4.6440 4.8242 4.8332 4.8332 4.9119 4.9119 4.9383 5.1569 5.1569 5.4747 5.4747 5.8751 5.8857 5.9528 5.9528 8.4100 8.4100 8.4145 8.5551 8.6467 8.6467 8.9980 9.0502 9.0502 9.1908 9.7544 9.7544 11.8994 11.9057 k = 0.2300 0.2300 0.2300 ( 5944 PWs) bands (ev): -61.6193 -61.6193 -34.5461 -34.5461 -25.9087 -25.9087 -25.9086 -25.9086 -6.9284 -6.9284 -6.2763 -6.2763 -6.1748 -6.1748 -6.1741 -6.1704 1.0078 1.0078 1.0096 1.0413 1.4955 1.4955 1.8182 1.8182 2.3397 2.3463 2.3659 2.3659 2.6404 2.6404 2.6530 2.6540 2.8357 2.8357 2.9484 2.9484 3.2157 3.2157 3.2698 3.2972 3.8972 3.8972 3.9382 3.9708 4.1324 4.1579 4.1579 4.2790 4.2790 4.3261 4.4012 4.4012 4.5436 4.5436 4.5857 4.6448 4.8321 4.8321 4.8334 4.9051 4.9051 4.9434 5.1191 5.1191 5.5122 5.5122 5.8668 5.8777 5.9444 5.9444 8.4151 8.4201 8.4201 8.5550 8.6749 8.6749 9.0294 9.0823 9.0823 9.2211 9.8012 9.8012 11.8543 11.8637 k = 0.2400 0.2400 0.2400 ( 5950 PWs) bands (ev): -61.6193 -61.6193 -34.5461 -34.5461 -25.9088 -25.9088 -25.9087 -25.9087 -6.9058 -6.9058 -6.2835 -6.2835 -6.1823 -6.1823 -6.1815 -6.1778 1.0290 1.0290 1.0326 1.0653 1.5059 1.5059 1.7902 1.7902 2.3444 2.3521 2.3690 2.3690 2.6285 2.6285 2.6391 2.6402 2.8270 2.8270 2.9236 2.9236 3.2040 3.2040 3.2594 3.2861 3.9051 3.9051 3.9495 3.9789 4.1377 4.1582 4.1582 4.2759 4.2759 4.3289 4.3989 4.3989 4.5478 4.5478 4.5809 4.6451 4.8285 4.8285 4.8432 4.8987 4.8987 4.9487 5.0847 5.0847 5.5501 5.5501 5.8596 5.8706 5.9369 5.9369 8.4152 8.4281 8.4281 8.5542 8.7051 8.7051 9.0606 9.1142 9.1142 9.2508 9.8447 9.8447 11.8049 11.8173 k = 0.2500 0.2500 0.2500 ( 5950 PWs) bands (ev): -61.6193 -61.6193 -34.5461 -34.5461 -25.9089 -25.9089 -25.9088 -25.9088 -6.8829 -6.8829 -6.2907 -6.2907 -6.1897 -6.1897 -6.1889 -6.1852 1.0490 1.0490 1.0548 1.0882 1.5121 1.5121 1.7644 1.7644 2.3490 2.3579 2.3719 2.3719 2.6187 2.6187 2.6271 2.6281 2.8182 2.8182 2.9005 2.9005 3.1925 3.1925 3.2487 3.2748 3.9123 3.9123 3.9605 3.9854 4.1453 4.1587 4.1587 4.2738 4.2738 4.3325 4.3967 4.3967 4.5518 4.5518 4.5755 4.6448 4.8212 4.8212 4.8531 4.8932 4.8932 4.9540 5.0541 5.0541 5.5881 5.5881 5.8538 5.8649 5.9307 5.9307 8.4148 8.4345 8.4345 8.5527 8.7370 8.7370 9.0913 9.1455 9.1455 9.2797 9.8853 9.8853 11.7512 11.7665 k = 0.2600 0.2600 0.2600 ( 5962 PWs) bands (ev): -61.6193 -61.6193 -34.5462 -34.5462 -25.9090 -25.9090 -25.9089 -25.9089 -6.8598 -6.8598 -6.2979 -6.2979 -6.1971 -6.1971 -6.1963 -6.1926 1.0677 1.0677 1.0759 1.1099 1.5133 1.5133 1.7414 1.7414 2.3535 2.3636 2.3747 2.3747 2.6110 2.6110 2.6170 2.6178 2.8094 2.8094 2.8797 2.8797 3.1811 3.1811 3.2378 3.2631 3.9190 3.9190 3.9713 3.9906 4.1548 4.1594 4.1594 4.2724 4.2724 4.3367 4.3946 4.3946 4.5556 4.5556 4.5697 4.6441 4.8095 4.8095 4.8627 4.8887 4.8887 4.9589 5.0279 5.0279 5.6263 5.6263 5.8496 5.8607 5.9259 5.9259 8.4138 8.4394 8.4394 8.5506 8.7701 8.7701 9.1214 9.1760 9.1760 9.3075 9.9233 9.9233 11.6934 11.7114 k = 0.2700 0.2700 0.2700 ( 5947 PWs) bands (ev): -61.6193 -61.6193 -34.5462 -34.5462 -25.9090 -25.9090 -25.9090 -25.9090 -6.8366 -6.8366 -6.3050 -6.3050 -6.2044 -6.2044 -6.2036 -6.1999 1.0850 1.0850 1.0958 1.1303 1.5089 1.5089 1.7218 1.7218 2.3581 2.3694 2.3774 2.3774 2.6057 2.6057 2.6090 2.6094 2.8007 2.8007 2.8617 2.8617 3.1698 3.1698 3.2267 3.2513 3.9254 3.9254 3.9821 3.9951 4.1603 4.1603 4.1656 4.2716 4.2716 4.3414 4.3926 4.3926 4.5591 4.5591 4.5635 4.6429 4.7938 4.7938 4.8718 4.8850 4.8850 4.9633 5.0061 5.0061 5.6643 5.6643 5.8475 5.8584 5.9230 5.9230 8.4125 8.4430 8.4430 8.5480 8.8039 8.8039 9.1508 9.2056 9.2056 9.3342 9.9593 9.9593 11.6317 11.6521 k = 0.2800 0.2800 0.2800 ( 5947 PWs) bands (ev): -61.6193 -61.6193 -34.5462 -34.5462 -25.9091 -25.9091 -25.9091 -25.9091 -6.8133 -6.8133 -6.3120 -6.3120 -6.2115 -6.2115 -6.2107 -6.2071 1.1005 1.1005 1.1144 1.1490 1.4988 1.4988 1.7055 1.7055 2.3627 2.3751 2.3803 2.3803 2.6025 2.6025 2.6031 2.6031 2.7922 2.7922 2.8465 2.8465 3.1586 3.1586 3.2153 3.2393 3.9315 3.9315 3.9931 3.9994 4.1612 4.1612 4.1772 4.2712 4.2712 4.3464 4.3907 4.3907 4.5570 4.5620 4.5620 4.6413 4.7748 4.7748 4.8799 4.8809 4.8809 4.9667 4.9885 4.9885 5.7022 5.7022 5.8477 5.8584 5.9221 5.9221 8.4109 8.4456 8.4456 8.5449 8.8381 8.8381 9.1791 9.2338 9.2338 9.3595 9.9937 9.9937 11.5665 11.5889 k = 0.2900 0.2900 0.2900 ( 5950 PWs) bands (ev): -61.6193 -61.6193 -34.5462 -34.5462 -25.9092 -25.9092 -25.9092 -25.9092 -6.7902 -6.7902 -6.3189 -6.3189 -6.2185 -6.2185 -6.2177 -6.2141 1.1144 1.1144 1.1314 1.1661 1.4838 1.4838 1.6916 1.6916 2.3675 2.3808 2.3834 2.3834 2.5988 2.5993 2.6014 2.6014 2.7840 2.7840 2.8344 2.8344 3.1475 3.1475 3.2038 3.2270 3.9374 3.9374 4.0038 4.0042 4.1624 4.1624 4.1891 4.2712 4.2712 4.3517 4.3888 4.3888 4.5501 4.5643 4.5643 4.6392 4.7540 4.7540 4.8758 4.8758 4.8866 4.9688 4.9748 4.9748 5.7397 5.7397 5.8505 5.8608 5.9236 5.9236 8.4092 8.4474 8.4474 8.5414 8.8721 8.8721 9.2062 9.2605 9.2605 9.3831 10.0269 10.0269 11.4983 11.5224 k = 0.3000 0.3000 0.3000 ( 5950 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9093 -25.9093 -25.9093 -25.9093 -6.7672 -6.7672 -6.3257 -6.3257 -6.2253 -6.2253 -6.2246 -6.2211 1.1263 1.1263 1.1469 1.1814 1.4650 1.4650 1.6789 1.6789 2.3727 2.3865 2.3870 2.3870 2.5965 2.5974 2.6022 2.6022 2.7765 2.7765 2.8253 2.8253 3.1366 3.1366 3.1922 3.2147 3.9432 3.9432 4.0086 4.0155 4.1638 4.1638 4.2011 4.2713 4.2713 4.3570 4.3870 4.3870 4.5431 4.5659 4.5659 4.6367 4.7323 4.7323 4.8690 4.8690 4.8917 4.9641 4.9641 4.9695 5.7766 5.7766 5.8560 5.8659 5.9278 5.9278 8.4073 8.4485 8.4485 8.5376 8.9055 8.9055 9.2318 9.2854 9.2854 9.4048 10.0594 10.0594 11.4276 11.4532 k = 0.3100 0.3100 0.3100 ( 5950 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9094 -25.9094 -25.9094 -25.9094 -6.7444 -6.7444 -6.3323 -6.3323 -6.2319 -6.2319 -6.2312 -6.2278 1.1364 1.1364 1.1607 1.1948 1.4437 1.4437 1.6664 1.6664 2.3782 2.3911 2.3911 2.3925 2.5961 2.5974 2.6047 2.6047 2.7699 2.7699 2.8193 2.8193 3.1258 3.1258 3.1806 3.2023 3.9489 3.9489 4.0139 4.0273 4.1654 4.1654 4.2130 4.2716 4.2716 4.3623 4.3852 4.3852 4.5357 4.5666 4.5666 4.6338 4.7109 4.7109 4.8605 4.8605 4.8951 4.9556 4.9556 4.9684 5.8127 5.8127 5.8645 5.8738 5.9348 5.9348 8.4055 8.4492 8.4492 8.5335 8.9381 8.9381 9.2557 9.3082 9.3082 9.4242 10.0916 10.0916 11.3553 11.3821 k = 0.3200 0.3200 0.3200 ( 5956 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9095 -25.9095 -25.9095 -25.9095 -6.7220 -6.7220 -6.3388 -6.3388 -6.2383 -6.2383 -6.2377 -6.2344 1.1446 1.1446 1.1729 1.2063 1.4211 1.4211 1.6530 1.6530 2.3842 2.3960 2.3960 2.3986 2.5975 2.5991 2.6086 2.6086 2.7640 2.7640 2.8163 2.8163 3.1151 3.1151 3.1689 3.1899 3.9545 3.9545 4.0200 4.0394 4.1672 4.1672 4.2245 4.2717 4.2717 4.3674 4.3832 4.3832 4.5282 4.5661 4.5661 4.6305 4.6907 4.6907 4.8504 4.8504 4.8965 4.9484 4.9484 4.9654 5.8478 5.8478 5.8759 5.8847 5.9450 5.9450 8.4039 8.4496 8.4496 8.5294 8.9695 8.9695 9.2774 9.3285 9.3285 9.4410 10.1239 10.1239 11.2821 11.3100 k = 0.3300 0.3300 0.3300 ( 5956 PWs) bands (ev): -61.6193 -61.6193 -34.5464 -34.5464 -25.9096 -25.9096 -25.9096 -25.9096 -6.7000 -6.7000 -6.3451 -6.3451 -6.2444 -6.2444 -6.2439 -6.2407 1.1510 1.1510 1.1835 1.2159 1.3982 1.3982 1.6383 1.6383 2.3909 2.4017 2.4017 2.4051 2.6004 2.6022 2.6138 2.6138 2.7588 2.7588 2.8163 2.8163 3.1046 3.1046 3.1572 3.1775 3.9600 3.9600 4.0269 4.0520 4.1692 4.1692 4.2356 4.2718 4.2718 4.3723 4.3811 4.3811 4.5205 4.5643 4.5643 4.6269 4.6725 4.6725 4.8391 4.8391 4.8959 4.9416 4.9416 4.9605 5.8814 5.8814 5.8903 5.8985 5.9585 5.9585 8.4025 8.4498 8.4498 8.5253 8.9995 8.9995 9.2968 9.3461 9.3461 9.4549 10.1563 10.1563 11.2089 11.2376 k = 0.3400 0.3400 0.3400 ( 5956 PWs) bands (ev): -61.6193 -61.6193 -34.5464 -34.5464 -25.9097 -25.9097 -25.9097 -25.9097 -6.6786 -6.6786 -6.3511 -6.3511 -6.2503 -6.2503 -6.2499 -6.2468 1.1555 1.1555 1.1924 1.2238 1.3755 1.3755 1.6220 1.6220 2.3982 2.4081 2.4081 2.4120 2.6046 2.6066 2.6200 2.6200 2.7541 2.7541 2.8195 2.8195 3.0943 3.0943 3.1456 3.1652 3.9654 3.9654 4.0347 4.0651 4.1716 4.1716 4.2462 4.2718 4.2718 4.3769 4.3788 4.3788 4.5128 4.5610 4.5610 4.6229 4.6569 4.6569 4.8268 4.8268 4.8933 4.9346 4.9346 4.9536 5.9074 5.9133 5.9133 5.9150 5.9755 5.9755 8.4016 8.4500 8.4500 8.5212 9.0279 9.0279 9.3133 9.3606 9.3606 9.4655 10.1892 10.1892 11.1368 11.1662 k = 0.3500 0.3500 0.3500 ( 5962 PWs) bands (ev): -61.6193 -61.6193 -34.5464 -34.5464 -25.9098 -25.9098 -25.9098 -25.9098 -6.6578 -6.6578 -6.3570 -6.3570 -6.2559 -6.2559 -6.2556 -6.2526 1.1584 1.1584 1.1998 1.2299 1.3536 1.3536 1.6041 1.6041 2.4061 2.4153 2.4153 2.4192 2.6099 2.6119 2.6269 2.6269 2.7497 2.7497 2.8255 2.8255 3.0843 3.0843 3.1342 3.1531 3.9706 3.9706 4.0433 4.0786 4.1743 4.1743 4.2562 4.2715 4.2715 4.3763 4.3763 4.3811 4.5050 4.5560 4.5560 4.6186 4.6444 4.6444 4.8138 4.8138 4.8887 4.9267 4.9267 4.9447 5.9271 5.9341 5.9432 5.9432 5.9960 5.9960 8.4011 8.4503 8.4503 8.5174 9.0545 9.0545 9.3267 9.3717 9.3717 9.4725 10.2224 10.2224 11.0666 11.0965 k = 0.3600 0.3600 0.3600 ( 5950 PWs) bands (ev): -61.6193 -61.6193 -34.5464 -34.5464 -25.9098 -25.9098 -25.9098 -25.9098 -6.6377 -6.6377 -6.3626 -6.3626 -6.2612 -6.2612 -6.2610 -6.2582 1.1596 1.1596 1.2059 1.2345 1.3329 1.3329 1.5847 1.5847 2.4147 2.4231 2.4231 2.4268 2.6161 2.6180 2.6343 2.6343 2.7456 2.7456 2.8340 2.8340 3.0747 3.0747 3.1231 3.1411 3.9756 3.9756 4.0528 4.0926 4.1774 4.1774 4.2656 4.2710 4.2710 4.3735 4.3735 4.3848 4.4974 4.5498 4.5498 4.6140 4.6352 4.6352 4.8004 4.8004 4.8824 4.9180 4.9180 4.9341 5.9491 5.9554 5.9712 5.9712 6.0194 6.0194 8.4013 8.4507 8.4507 8.5138 9.0792 9.0792 9.3368 9.3791 9.3791 9.4756 10.2561 10.2561 10.9993 11.0296 k = 0.3700 0.3700 0.3700 ( 5950 PWs) bands (ev): -61.6193 -61.6193 -34.5464 -34.5464 -25.9099 -25.9099 -25.9099 -25.9099 -6.6184 -6.6184 -6.3680 -6.3680 -6.2663 -6.2663 -6.2661 -6.2634 1.1594 1.1594 1.2106 1.2376 1.3138 1.3138 1.5642 1.5642 2.4237 2.4314 2.4314 2.4348 2.6229 2.6247 2.6420 2.6420 2.7419 2.7419 2.8446 2.8446 3.0656 3.0656 3.1122 3.1295 3.9803 3.9803 4.0632 4.1070 4.1809 4.1809 4.2702 4.2702 4.2743 4.3703 4.3703 4.3877 4.4900 4.5427 4.5427 4.6090 4.6287 4.6287 4.7866 4.7866 4.8746 4.9082 4.9082 4.9219 5.9729 5.9786 5.9977 5.9977 6.0448 6.0448 8.4022 8.4514 8.4514 8.5106 9.1021 9.1021 9.3431 9.3826 9.3826 9.4744 10.2901 10.2901 10.9357 10.9664 k = 0.3800 0.3800 0.3800 ( 5953 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9100 -25.9100 -25.9100 -25.9100 -6.6001 -6.6001 -6.3731 -6.3731 -6.2709 -6.2709 -6.2708 -6.2684 1.1578 1.1578 1.2143 1.2395 1.2964 1.2964 1.5428 1.5428 2.4330 2.4401 2.4401 2.4430 2.6301 2.6318 2.6497 2.6497 2.7386 2.7386 2.8567 2.8567 3.0570 3.0570 3.1017 3.1181 3.9845 3.9845 4.0744 4.1216 4.1847 4.1847 4.2691 4.2691 4.2824 4.3668 4.3668 4.3897 4.4832 4.5356 4.5356 4.6038 4.6245 4.6245 4.7727 4.7727 4.8656 4.8973 4.8973 4.9084 5.9980 6.0032 6.0235 6.0235 6.0709 6.0709 8.4040 8.4525 8.4525 8.5079 9.1230 9.1230 9.3455 9.3822 9.3822 9.4688 10.3242 10.3242 10.8768 10.9076 k = 0.3900 0.3900 0.3900 ( 5950 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9100 -25.9100 -25.9100 -25.9100 -6.5827 -6.5827 -6.3780 -6.3780 -6.2753 -6.2753 -6.2753 -6.2730 1.1551 1.1551 1.2170 1.2403 1.2811 1.2811 1.5210 1.5210 2.4426 2.4490 2.4490 2.4514 2.6376 2.6390 2.6573 2.6573 2.7357 2.7357 2.8697 2.8697 3.0490 3.0490 3.0916 3.1071 3.9882 3.9882 4.0864 4.1365 4.1890 4.1890 4.2679 4.2679 4.2898 4.3629 4.3629 4.3905 4.4772 4.5291 4.5291 4.5982 4.6219 4.6219 4.7589 4.7589 4.8555 4.8854 4.8854 4.8939 6.0241 6.0287 6.0487 6.0487 6.0969 6.0969 8.4067 8.4540 8.4540 8.5056 9.1420 9.1420 9.3440 9.3778 9.3778 9.4590 10.3583 10.3583 10.8230 10.8538 k = 0.4000 0.4000 0.4000 ( 5968 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9102 -25.9102 -25.9101 -25.9101 -6.5663 -6.5663 -6.3826 -6.3826 -6.2793 -6.2793 -6.2793 -6.2772 1.1514 1.1514 1.2188 1.2402 1.2678 1.2678 1.4991 1.4991 2.4522 2.4579 2.4579 2.4598 2.6450 2.6462 2.6644 2.6644 2.7335 2.7335 2.8829 2.8829 3.0419 3.0419 3.0821 3.0966 3.9914 3.9914 4.0990 4.1514 4.1937 4.1937 4.2664 4.2664 4.2965 4.3588 4.3588 4.3897 4.4725 4.5235 4.5235 4.5923 4.6206 4.6206 4.7452 4.7452 4.8448 4.8728 4.8728 4.8788 6.0504 6.0546 6.0735 6.0735 6.1220 6.1220 8.4103 8.4559 8.4559 8.5037 9.1592 9.1592 9.3388 9.3697 9.3697 9.4450 10.3918 10.3918 10.7751 10.8054 k = 0.4100 0.4100 0.4100 ( 5962 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9102 -25.9102 -25.9102 -25.9102 -6.5511 -6.5511 -6.3870 -6.3870 -6.2831 -6.2829 -6.2829 -6.2811 1.1469 1.1469 1.2201 1.2394 1.2566 1.2566 1.4775 1.4775 2.4616 2.4666 2.4666 2.4680 2.6522 2.6533 2.6709 2.6709 2.7321 2.7321 2.8958 2.8958 3.0359 3.0359 3.0732 3.0866 3.9939 3.9939 4.1124 4.1662 4.1987 4.1987 4.2649 4.2649 4.3025 4.3546 4.3546 4.3871 4.4695 4.5191 4.5191 4.5860 4.6203 4.6203 4.7320 4.7320 4.8339 4.8596 4.8596 4.8634 6.0766 6.0802 6.0976 6.0976 6.1460 6.1460 8.4150 8.4583 8.4583 8.5024 9.1744 9.1744 9.3302 9.3581 9.3581 9.4274 10.4247 10.4247 10.7331 10.7627 k = 0.4200 0.4200 0.4200 ( 5962 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9102 -25.9102 -25.9102 -25.9102 -6.5371 -6.5371 -6.3911 -6.3911 -6.2864 -6.2862 -6.2862 -6.2847 1.1421 1.1421 1.2208 1.2381 1.2474 1.2474 1.4567 1.4567 2.4707 2.4750 2.4750 2.4761 2.6591 2.6601 2.6764 2.6764 2.7316 2.7316 2.9077 2.9077 3.0312 3.0312 3.0650 3.0773 3.9959 3.9959 4.1263 4.1807 4.2040 4.2040 4.2633 4.2633 4.3078 4.3504 4.3504 4.3826 4.4683 4.5159 4.5159 4.5794 4.6209 4.6209 4.7192 4.7192 4.8229 4.8461 4.8461 4.8480 6.1020 6.1052 6.1205 6.1205 6.1685 6.1685 8.4206 8.4612 8.4612 8.5013 9.1879 9.1879 9.3189 9.3439 9.3439 9.4067 10.4563 10.4563 10.6973 10.7256 k = 0.4300 0.4300 0.4300 ( 5953 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9103 -25.9103 -25.9102 -25.9102 -6.5243 -6.5243 -6.3950 -6.3950 -6.2894 -6.2891 -6.2891 -6.2878 1.1370 1.1370 1.2212 1.2364 1.2401 1.2401 1.4370 1.4370 2.4794 2.4829 2.4829 2.4837 2.6656 2.6664 2.6809 2.6809 2.7321 2.7321 2.9179 2.9179 3.0281 3.0281 3.0576 3.0687 3.9973 3.9973 4.1406 4.1946 4.2094 4.2094 4.2618 4.2618 4.3124 4.3462 4.3462 4.3762 4.4689 4.5136 4.5136 4.5723 4.6222 4.6222 4.7072 4.7072 4.8124 4.8327 4.8327 4.8332 6.1261 6.1288 6.1418 6.1418 6.1893 6.1893 8.4272 8.4644 8.4644 8.5006 9.1996 9.1996 9.3058 9.3278 9.3278 9.3838 10.4862 10.4862 10.6675 10.6939 k = 0.4400 0.4400 0.4400 ( 5941 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9103 -25.9103 -25.9103 -25.9103 -6.5129 -6.5129 -6.3986 -6.3986 -6.2919 -6.2917 -6.2917 -6.2906 1.1321 1.1321 1.2215 1.2345 1.2346 1.2346 1.4188 1.4188 2.4873 2.4901 2.4901 2.4907 2.6714 2.6721 2.6841 2.6841 2.7335 2.7335 2.9261 2.9261 3.0268 3.0268 3.0511 3.0609 3.9982 3.9982 4.1552 4.2075 4.2146 4.2146 4.2606 4.2606 4.3162 4.3422 4.3422 4.3685 4.4713 4.5122 4.5122 4.5647 4.6243 4.6243 4.6960 4.6960 4.8025 4.8193 4.8197 4.8197 6.1482 6.1505 6.1611 6.1611 6.2082 6.2082 8.4346 8.4678 8.4678 8.4998 9.2095 9.2095 9.2917 9.3107 9.3107 9.3598 10.5139 10.5139 10.6433 10.6674 k = 0.4500 0.4500 0.4500 ( 5941 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9103 -25.9103 -25.9103 -25.9103 -6.5029 -6.5029 -6.4019 -6.4019 -6.2941 -6.2938 -6.2938 -6.2930 1.1276 1.1276 1.2216 1.2305 1.2305 1.2325 1.4024 1.4024 2.4943 2.4964 2.4964 2.4969 2.6766 2.6771 2.6862 2.6862 2.7355 2.7355 2.9320 2.9320 3.0271 3.0271 3.0456 3.0540 3.9987 3.9987 4.1698 4.2188 4.2195 4.2195 4.2598 4.2598 4.3192 4.3384 4.3384 4.3599 4.4752 4.5114 4.5114 4.5566 4.6268 4.6268 4.6859 4.6859 4.7936 4.8067 4.8073 4.8073 6.1680 6.1699 6.1778 6.1778 6.2249 6.2249 8.4426 8.4713 8.4713 8.4989 9.2176 9.2176 9.2780 9.2939 9.2939 9.3358 10.5386 10.5386 10.6244 10.6456 k = 0.4600 0.4600 0.4600 ( 5944 PWs) bands (ev): -61.6193 -61.6193 -34.5466 -34.5466 -25.9104 -25.9104 -25.9103 -25.9103 -6.4944 -6.4944 -6.4048 -6.4048 -6.2958 -6.2956 -6.2956 -6.2950 1.1236 1.1236 1.2218 1.2277 1.2277 1.2305 1.3882 1.3882 2.5003 2.5018 2.5018 2.5022 2.6808 2.6812 2.6875 2.6875 2.7377 2.7377 2.9358 2.9358 3.0286 3.0286 3.0412 3.0480 3.9989 3.9989 4.1843 4.2237 4.2237 4.2281 4.2594 4.2594 4.3215 4.3349 4.3349 4.3512 4.4804 4.5111 4.5111 4.5480 4.6299 4.6299 4.6770 4.6770 4.7860 4.7958 4.7962 4.7962 6.1850 6.1865 6.1918 6.1918 6.2391 6.2391 8.4510 8.4747 8.4747 8.4974 9.2237 9.2237 9.2658 9.2787 9.2787 9.3128 10.5594 10.5594 10.6103 10.6280 k = 0.4700 0.4700 0.4700 ( 5944 PWs) bands (ev): -61.6193 -61.6193 -34.5466 -34.5466 -25.9104 -25.9104 -25.9104 -25.9104 -6.4876 -6.4876 -6.4073 -6.4073 -6.2972 -6.2970 -6.2970 -6.2965 1.1204 1.1204 1.2221 1.2259 1.2259 1.2286 1.3766 1.3766 2.5051 2.5061 2.5061 2.5065 2.6843 2.6846 2.6882 2.6882 2.7399 2.7399 2.9380 2.9380 3.0308 3.0308 3.0378 3.0430 3.9988 3.9988 4.1982 4.2270 4.2270 4.2346 4.2596 4.2596 4.3232 4.3320 4.3320 4.3429 4.4867 4.5110 4.5110 4.5391 4.6333 4.6333 4.6693 4.6693 4.7799 4.7867 4.7867 4.7867 6.1986 6.1998 6.2028 6.2028 6.2506 6.2506 8.4594 8.4776 8.4776 8.4952 9.2277 9.2277 9.2564 9.2663 9.2663 9.2922 10.5755 10.5755 10.6005 10.6142 k = 0.4800 0.4800 0.4800 ( 5944 PWs) bands (ev): -61.6193 -61.6193 -34.5466 -34.5466 -25.9104 -25.9104 -25.9104 -25.9104 -6.4825 -6.4825 -6.4092 -6.4092 -6.2981 -6.2980 -6.2980 -6.2977 1.1181 1.1181 1.2225 1.2248 1.2248 1.2269 1.3680 1.3680 2.5087 2.5093 2.5093 2.5096 2.6867 2.6869 2.6886 2.6886 2.7416 2.7416 2.9391 2.9391 3.0330 3.0330 3.0357 3.0392 3.9987 3.9987 4.2111 4.2293 4.2293 4.2376 4.2601 4.2601 4.3244 4.3296 4.3296 4.3359 4.4941 4.5111 4.5111 4.5298 4.6368 4.6368 4.6631 4.6631 4.7756 4.7794 4.7794 4.7799 6.2087 6.2094 6.2108 6.2108 6.2591 6.2591 8.4676 8.4800 8.4800 8.4920 9.2291 9.2291 9.2506 9.2580 9.2580 9.2748 10.5860 10.5860 10.5946 10.6039 k = 0.4900 0.4900 0.4900 ( 5929 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9104 -25.9104 -25.9104 -25.9104 -6.4793 -6.4793 -6.4105 -6.4105 -6.2986 -6.2985 -6.2985 -6.2984 1.1167 1.1167 1.2232 1.2243 1.2243 1.2254 1.3627 1.3627 2.5110 2.5113 2.5113 2.5114 2.6883 2.6884 2.6888 2.6888 2.7428 2.7428 2.9395 2.9395 3.0345 3.0345 3.0348 3.0365 3.9987 3.9987 4.2224 4.2307 4.2307 4.2364 4.2607 4.2607 4.3257 4.3281 4.3281 4.3308 4.5023 4.5112 4.5112 4.5204 4.6398 4.6398 4.6586 4.6586 4.7734 4.7748 4.7748 4.7754 6.2149 6.2153 6.2156 6.2156 6.2643 6.2643 8.4753 8.4815 8.4815 8.4876 9.2288 9.2288 9.2493 9.2540 9.2540 9.2615 10.5914 10.5914 10.5921 10.5969 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9103 -25.9103 -25.9103 -25.9103 -6.4783 -6.4783 -6.4109 -6.4109 -6.2987 -6.2987 -6.2987 -6.2987 1.1162 1.1162 1.2242 1.2242 1.2242 1.2242 1.3609 1.3609 2.5119 2.5119 2.5119 2.5119 2.6889 2.6889 2.6889 2.6889 2.7432 2.7432 2.9397 2.9397 3.0350 3.0350 3.0350 3.0350 3.9987 3.9987 4.2312 4.2312 4.2312 4.2312 4.2610 4.2610 4.3277 4.3277 4.3277 4.3277 4.5112 4.5112 4.5112 4.5112 4.6411 4.6411 4.6568 4.6568 4.7733 4.7733 4.7733 4.7733 6.2172 6.2172 6.2172 6.2172 6.2661 6.2661 8.4820 8.4820 8.4820 8.4820 9.2283 9.2283 9.2529 9.2529 9.2529 9.2529 10.5930 10.5930 10.5930 10.5930 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9103 -25.9103 -25.9103 -25.9103 -6.4783 -6.4783 -6.4109 -6.4109 -6.2987 -6.2987 -6.2987 -6.2987 1.1162 1.1162 1.2242 1.2242 1.2242 1.2242 1.3609 1.3609 2.5119 2.5119 2.5119 2.5119 2.6889 2.6889 2.6889 2.6889 2.7432 2.7432 2.9397 2.9397 3.0350 3.0350 3.0350 3.0350 3.9987 3.9987 4.2312 4.2312 4.2312 4.2312 4.2610 4.2610 4.3277 4.3277 4.3277 4.3277 4.5112 4.5112 4.5112 4.5112 4.6411 4.6411 4.6568 4.6568 4.7733 4.7733 4.7733 4.7733 6.2172 6.2172 6.2172 6.2172 6.2661 6.2661 8.4820 8.4820 8.4820 8.4820 9.2283 9.2283 9.2529 9.2529 9.2529 9.2529 10.5930 10.5930 10.5930 10.5930 k = 0.4878 0.5000 0.4878 ( 5926 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9104 -25.9104 -25.9103 -25.9103 -6.4793 -6.4793 -6.4105 -6.4105 -6.2987 -6.2986 -6.2985 -6.2983 1.1166 1.1167 1.2232 1.2241 1.2246 1.2254 1.3627 1.3627 2.5110 2.5112 2.5113 2.5114 2.6882 2.6883 2.6889 2.6889 2.7428 2.7428 2.9395 2.9396 3.0342 3.0348 3.0348 3.0364 3.9987 3.9987 4.2227 4.2288 4.2323 4.2364 4.2607 4.2607 4.3257 4.3276 4.3287 4.3308 4.5026 4.5089 4.5135 4.5201 4.6397 4.6399 4.6584 4.6587 4.7733 4.7746 4.7749 4.7756 6.2148 6.2151 6.2156 6.2158 6.2643 6.2643 8.4755 8.4799 8.4830 8.4874 9.2285 9.2291 9.2494 9.2528 9.2552 9.2612 10.5910 10.5920 10.5924 10.5965 k = 0.4756 0.5000 0.4756 ( 5938 PWs) bands (ev): -61.6193 -61.6193 -34.5466 -34.5466 -25.9104 -25.9104 -25.9104 -25.9104 -6.4825 -6.4824 -6.4094 -6.4091 -6.2986 -6.2982 -6.2976 -6.2974 1.1180 1.1181 1.2224 1.2245 1.2251 1.2271 1.3679 1.3680 2.5088 2.5093 2.5094 2.5097 2.6864 2.6866 2.6889 2.6890 2.7416 2.7418 2.9386 2.9396 3.0321 3.0342 3.0357 3.0388 3.9987 3.9988 4.2117 4.2259 4.2317 4.2385 4.2601 4.2601 4.3241 4.3287 4.3303 4.3363 4.4946 4.5068 4.5155 4.5291 4.6364 4.6377 4.6620 4.6637 4.7754 4.7786 4.7791 4.7811 6.2082 6.2088 6.2113 6.2116 6.2592 6.2593 8.4678 8.4771 8.4828 8.4919 9.2274 9.2319 9.2504 9.2572 9.2582 9.2744 10.5858 10.5892 10.5938 10.6022 k = 0.4634 0.5000 0.4634 ( 5950 PWs) bands (ev): -61.6193 -61.6193 -34.5466 -34.5466 -25.9104 -25.9104 -25.9104 -25.9104 -6.4876 -6.4872 -6.4079 -6.4069 -6.2984 -6.2974 -6.2961 -6.2958 1.1202 1.1206 1.2216 1.2256 1.2257 1.2295 1.3763 1.3767 2.5051 2.5061 2.5061 2.5068 2.6834 2.6837 2.6889 2.6890 2.7398 2.7403 2.9363 2.9400 3.0284 3.0336 3.0378 3.0422 3.9988 3.9989 4.1989 4.2224 4.2281 4.2384 4.2594 4.2597 4.3225 4.3306 4.3324 4.3437 4.4873 4.5052 4.5170 4.5380 4.6328 4.6358 4.6665 4.6706 4.7792 4.7843 4.7864 4.7896 6.1972 6.1982 6.2040 6.2046 6.2508 6.2511 8.4591 8.4738 8.4813 8.4957 9.2237 9.2369 9.2554 9.2611 9.2669 9.2920 10.5770 10.5829 10.5978 10.6086 k = 0.4512 0.5000 0.4512 ( 5950 PWs) bands (ev): -61.6193 -61.6193 -34.5466 -34.5466 -25.9104 -25.9104 -25.9103 -25.9103 -6.4943 -6.4936 -6.4061 -6.4041 -6.2983 -6.2963 -6.2940 -6.2935 1.1232 1.1239 1.2211 1.2267 1.2274 1.2325 1.3875 1.3885 2.5003 2.5017 2.5019 2.5029 2.6793 2.6796 2.6885 2.6886 2.7379 2.7388 2.9321 2.9407 3.0231 3.0339 3.0412 3.0465 3.9987 3.9990 4.1851 4.2184 4.2214 4.2366 4.2587 4.2600 4.3207 4.3330 4.3349 4.3524 4.4806 4.5044 4.5180 4.5466 4.6298 4.6346 4.6716 4.6788 4.7850 4.7920 4.7958 4.8004 6.1823 6.1837 6.1938 6.1946 6.2397 6.2403 8.4498 8.4703 8.4787 8.4989 9.2181 9.2437 9.2634 9.2635 9.2810 9.3133 10.5648 10.5729 10.6035 10.6143 k = 0.4390 0.5000 0.4390 ( 5952 PWs) bands (ev): -61.6193 -61.6193 -34.5466 -34.5466 -25.9104 -25.9104 -25.9103 -25.9103 -6.5026 -6.5014 -6.4044 -6.4007 -6.2983 -6.2949 -6.2913 -6.2907 1.1268 1.1281 1.2210 1.2279 1.2300 1.2364 1.4012 1.4030 2.4943 2.4961 2.4966 2.4981 2.6740 2.6743 2.6874 2.6877 2.7361 2.7375 2.9254 2.9418 3.0163 3.0355 3.0458 3.0516 3.9984 3.9990 4.1709 4.2123 4.2142 4.2331 4.2582 4.2612 4.3186 4.3354 4.3378 4.3615 4.4747 4.5048 4.5184 4.5547 4.6280 4.6342 4.6773 4.6882 4.7925 4.8019 4.8065 4.8130 6.1635 6.1654 6.1807 6.1819 6.2261 6.2272 8.4404 8.4665 8.4755 8.5016 9.2108 9.2519 9.2652 9.2737 9.2981 9.3372 10.5500 10.5596 10.6107 10.6196 k = 0.4268 0.5000 0.4268 ( 5952 PWs) bands (ev): -61.6193 -61.6193 -34.5466 -34.5466 -25.9104 -25.9104 -25.9103 -25.9102 -6.5121 -6.5105 -6.4027 -6.3968 -6.2984 -6.2930 -6.2879 -6.2873 1.1309 1.1330 1.2214 1.2297 1.2335 1.2411 1.4170 1.4199 2.4874 2.4896 2.4905 2.4924 2.6676 2.6679 2.6852 2.6863 2.7351 2.7368 2.9159 2.9430 3.0081 3.0387 3.0517 3.0574 3.9978 3.9985 4.1567 4.2016 4.2096 4.2283 4.2580 4.2633 4.3162 4.3378 4.3411 4.3701 4.4695 4.5066 4.5182 4.5621 4.6276 4.6347 4.6839 4.6983 4.8015 4.8139 4.8180 4.8265 6.1415 6.1438 6.1649 6.1663 6.2104 6.2120 8.4311 8.4626 8.4721 8.5038 9.2021 9.2594 9.2672 9.2852 9.3168 9.3624 10.5340 10.5441 10.6192 10.6257 k = 0.4146 0.5000 0.4146 ( 5952 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9103 -25.9103 -25.9102 -25.9102 -6.5227 -6.5207 -6.4013 -6.3927 -6.2986 -6.2907 -6.2840 -6.2833 1.1354 1.1383 1.2226 1.2319 1.2378 1.2469 1.4345 1.4388 2.4796 2.4823 2.4836 2.4861 2.6601 2.6603 2.6817 2.6841 2.7353 2.7369 2.9037 2.9441 2.9990 3.0437 3.0586 3.0640 3.9965 3.9974 4.1430 4.1900 4.2049 4.2226 4.2579 4.2657 4.3136 4.3400 4.3446 4.3778 4.4651 4.5099 4.5175 4.5689 4.6287 4.6359 4.6913 4.7090 4.8120 4.8280 4.8297 4.8406 6.1167 6.1194 6.1465 6.1481 6.1928 6.1950 8.4225 8.4587 8.4688 8.5056 9.1919 9.2609 9.2740 9.2972 9.3360 9.3877 10.5175 10.5275 10.6295 10.6337 k = 0.4024 0.5000 0.4024 ( 5964 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9103 -25.9103 -25.9102 -25.9101 -6.5343 -6.5319 -6.4002 -6.3884 -6.2989 -6.2880 -6.2794 -6.2787 1.1399 1.1436 1.2249 1.2347 1.2430 1.2537 1.4534 1.4595 2.4711 2.4743 2.4760 2.4792 2.6516 2.6516 2.6770 2.6812 2.7366 2.7378 2.8891 2.9442 2.9898 3.0501 3.0666 3.0713 3.9943 3.9953 4.1303 4.1784 4.2001 4.2162 4.2579 4.2684 4.3109 4.3421 4.3482 4.3843 4.4617 4.5148 4.5164 4.5751 4.6310 4.6377 4.6997 4.7200 4.8237 4.8412 4.8440 4.8547 6.0897 6.0928 6.1258 6.1275 6.1736 6.1762 8.4148 8.4548 8.4661 8.5068 9.1799 9.2578 9.2830 9.3087 9.3546 9.4121 10.5017 10.5106 10.6420 10.6443 k = 0.3902 0.5000 0.3902 ( 5960 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9103 -25.9103 -25.9101 -25.9101 -6.5468 -6.5440 -6.3994 -6.3839 -6.2994 -6.2847 -6.2743 -6.2736 1.1444 1.1485 1.2285 1.2381 1.2489 1.2615 1.4733 1.4815 2.4622 2.4659 2.4681 2.4720 2.6421 2.6423 2.6715 2.6780 2.7392 2.7397 2.8725 2.9414 2.9827 3.0579 3.0755 3.0791 3.9911 3.9919 4.1190 4.1671 4.1954 4.2095 4.2579 4.2711 4.3082 4.3440 4.3518 4.3895 4.4593 4.5154 4.5212 4.5810 4.6344 4.6399 4.7092 4.7311 4.8362 4.8524 4.8612 4.8691 6.0613 6.0646 6.1034 6.1051 6.1528 6.1556 8.4083 8.4509 8.4641 8.5077 9.1661 9.2519 9.2913 9.3189 9.3717 9.4347 10.4870 10.4943 10.6575 10.6579 k = 0.3780 0.5000 0.3780 ( 5960 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9103 -25.9103 -25.9100 -25.9100 -6.5600 -6.5570 -6.3991 -6.3796 -6.2997 -6.2811 -6.2687 -6.2679 1.1485 1.1524 1.2339 1.2422 1.2557 1.2705 1.4940 1.5045 2.4529 2.4570 2.4598 2.4645 2.6317 2.6324 2.6658 2.6746 2.7422 2.7426 2.8541 2.9337 2.9797 3.0668 3.0853 3.0875 3.9866 3.9867 4.1095 4.1569 4.1907 4.2027 4.2576 4.2737 4.3057 4.3457 4.3552 4.3932 4.4584 4.5146 4.5289 4.5868 4.6383 4.6424 4.7198 4.7424 4.8488 4.8633 4.8766 4.8859 6.0320 6.0355 6.0796 6.0810 6.1304 6.1332 8.4030 8.4472 8.4630 8.5081 9.1504 9.2432 9.2980 9.3270 9.3866 9.4546 10.4742 10.4794 10.6753 10.6765 k = 0.3659 0.5000 0.3659 ( 5948 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9102 -25.9102 -25.9099 -25.9099 -6.5738 -6.5706 -6.3993 -6.3754 -6.2999 -6.2769 -6.2626 -6.2617 1.1520 1.1550 1.2413 1.2470 1.2631 1.2804 1.5151 1.5281 2.4435 2.4480 2.4515 2.4569 2.6207 2.6219 2.6601 2.6713 2.7453 2.7468 2.8346 2.9211 2.9808 3.0766 3.0959 3.0964 3.9798 3.9807 4.1021 4.1480 4.1862 4.1960 4.2570 4.2760 4.3037 4.3471 4.3582 4.3956 4.4593 4.5143 4.5377 4.5926 4.6425 4.6449 4.7312 4.7536 4.8599 4.8752 4.8884 4.9065 6.0025 6.0060 6.0549 6.0557 6.1065 6.1091 8.3990 8.4438 8.4628 8.5084 9.1329 9.2316 9.3023 9.3322 9.3988 9.4715 10.4636 10.4663 10.6970 10.6995 k = 0.3537 0.5000 0.3537 ( 5952 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9102 -25.9102 -25.9098 -25.9098 -6.5882 -6.5849 -6.3999 -6.3718 -6.2997 -6.2722 -6.2559 -6.2550 1.1544 1.1559 1.2507 1.2527 1.2711 1.2913 1.5363 1.5520 2.4341 2.4388 2.4430 2.4493 2.6092 2.6110 2.6550 2.6684 2.7487 2.7515 2.8141 2.9054 2.9847 3.0873 3.1058 3.1071 3.9710 3.9731 4.0967 4.1406 4.1819 4.1894 4.2556 4.2781 4.3023 4.3483 4.3606 4.3963 4.4622 4.5146 4.5472 4.5986 4.6466 4.6474 4.7435 4.7647 4.8679 4.8893 4.8977 4.9292 5.9733 5.9766 6.0295 6.0297 6.0813 6.0832 8.3962 8.4409 8.4631 8.5088 9.1135 9.2170 9.3037 9.3340 9.4080 9.4850 10.4553 10.4554 10.7232 10.7268 k = 0.3415 0.5000 0.3415 ( 5956 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5464 -25.9102 -25.9102 -25.9097 -25.9097 -6.6030 -6.5997 -6.4011 -6.3689 -6.2988 -6.2670 -6.2489 -6.2479 1.1551 1.1557 1.2591 1.2620 1.2797 1.3030 1.5572 1.5757 2.4248 2.4297 2.4348 2.4419 2.5974 2.5998 2.6509 2.6659 2.7524 2.7567 2.7934 2.8877 2.9902 3.0986 3.1155 3.1189 3.9607 3.9640 4.0930 4.1347 4.1777 4.1831 4.2533 4.2798 4.3018 4.3492 4.3624 4.3958 4.4672 4.5157 4.5572 4.6049 4.6498 4.6505 4.7563 4.7759 4.8727 4.9047 4.9052 4.9532 5.9448 5.9479 6.0026 6.0044 6.0551 6.0557 8.3944 8.4386 8.4635 8.5097 9.0925 9.1992 9.3016 9.3320 9.4140 9.4949 10.4470 10.4495 10.7544 10.7589 k = 0.3293 0.5000 0.3293 ( 5956 PWs) bands (ev): -61.6193 -61.6193 -34.5464 -34.5464 -25.9102 -25.9102 -25.9096 -25.9096 -6.6182 -6.6149 -6.4027 -6.3670 -6.2970 -6.2614 -6.2414 -6.2404 1.1528 1.1556 1.2664 1.2747 1.2886 1.3155 1.5776 1.5989 2.4157 2.4207 2.4268 2.4347 2.5855 2.5885 2.6480 2.6640 2.7554 2.7621 2.7738 2.8689 2.9968 3.1107 3.1256 3.1312 3.9493 3.9537 4.0906 4.1304 4.1736 4.1774 4.2500 4.2811 4.3023 4.3499 4.3636 4.3941 4.4742 4.5176 4.5675 4.6115 4.6523 4.6540 4.7695 4.7869 4.8749 4.9095 4.9223 4.9781 5.9173 5.9200 5.9754 5.9796 6.0268 6.0283 8.3933 8.4372 8.4632 8.5117 9.0703 9.1785 9.2959 9.3261 9.4167 9.5013 10.4412 10.4460 10.7905 10.7956 k = 0.3171 0.5000 0.3171 ( 5952 PWs) bands (ev): -61.6193 -61.6193 -34.5464 -34.5464 -25.9101 -25.9101 -25.9095 -25.9095 -6.6337 -6.6304 -6.4048 -6.3663 -6.2941 -6.2553 -6.2336 -6.2325 1.1490 1.1541 1.2744 1.2884 1.2980 1.3284 1.5973 1.6213 2.4071 2.4120 2.4192 2.4278 2.5735 2.5772 2.6466 2.6622 2.7484 2.7652 2.7678 2.8493 3.0043 3.1234 3.1360 3.1441 3.9373 3.9423 4.0892 4.1271 4.1697 4.1723 4.2457 4.2820 4.3037 4.3504 4.3642 4.3917 4.4828 4.5204 4.5777 4.6185 4.6549 4.6571 4.7826 4.7979 4.8749 4.9119 4.9402 5.0036 5.8908 5.8929 5.9479 5.9558 5.9965 6.0015 8.3925 8.4372 8.4614 8.5155 9.0472 9.1551 9.2864 9.3164 9.4161 9.5044 10.4378 10.4447 10.8316 10.8371 k = 0.3049 0.5000 0.3049 ( 5944 PWs) bands (ev): -61.6193 -61.6193 -34.5464 -34.5464 -25.9101 -25.9101 -25.9093 -25.9093 -6.6494 -6.6462 -6.4073 -6.3668 -6.2899 -6.2488 -6.2255 -6.2243 1.1438 1.1510 1.2829 1.3024 1.3081 1.3418 1.6159 1.6424 2.3989 2.4037 2.4122 2.4214 2.5617 2.5660 2.6471 2.6598 2.7321 2.7685 2.7735 2.8296 3.0125 3.1367 3.1467 3.1575 3.9248 3.9301 4.0884 4.1247 4.1658 4.1680 4.2407 4.2824 4.3059 4.3506 4.3643 4.3889 4.4926 4.5239 4.5874 4.6258 4.6579 4.6599 4.7951 4.8089 4.8733 4.9119 4.9588 5.0297 5.8652 5.8663 5.9204 5.9334 5.9652 5.9755 8.3914 8.4389 8.4575 8.5216 9.0238 9.1294 9.2731 9.3028 9.4125 9.5044 10.4367 10.4454 10.8774 10.8831 k = 0.2927 0.5000 0.2927 ( 5948 PWs) bands (ev): -61.6193 -61.6193 -34.5464 -34.5464 -25.9100 -25.9100 -25.9092 -25.9092 -6.6653 -6.6622 -6.4103 -6.3686 -6.2846 -6.2420 -6.2170 -6.2159 1.1373 1.1464 1.2917 1.3142 1.3207 1.3554 1.6334 1.6621 2.3914 2.3959 2.4058 2.4154 2.5501 2.5550 2.6494 2.6547 2.7188 2.7733 2.7786 2.8105 3.0215 3.1506 3.1577 3.1713 3.9124 3.9175 4.0879 4.1227 4.1620 4.1647 4.2351 4.2823 4.3086 4.3505 4.3639 4.3859 4.5033 4.5280 4.5959 4.6336 4.6616 4.6622 4.8058 4.8197 4.8712 4.9096 4.9779 5.0559 5.8393 5.8399 5.8934 5.9130 5.9333 5.9510 8.3898 8.4425 8.4511 8.5299 9.0007 9.1017 9.2563 9.2857 9.4060 9.5017 10.4376 10.4475 10.9275 10.9331 k = 0.2805 0.5000 0.2805 ( 5962 PWs) bands (ev): -61.6193 -61.6193 -34.5464 -34.5464 -25.9100 -25.9100 -25.9092 -25.9091 -6.6812 -6.6782 -6.4135 -6.3715 -6.2784 -6.2349 -6.2084 -6.2072 1.1296 1.1404 1.3007 1.3238 1.3356 1.3691 1.6495 1.6800 2.3846 2.3886 2.4001 2.4100 2.5388 2.5442 2.6449 2.6534 2.7121 2.7786 2.7792 2.7965 3.0312 3.1649 3.1690 3.1856 3.9000 3.9047 4.0875 4.1207 4.1581 4.1624 4.2290 4.2816 4.3117 4.3504 4.3631 4.3831 4.5144 4.5323 4.6027 4.6417 4.6643 4.6664 4.8128 4.8302 4.8709 4.9054 4.9973 5.0822 5.8106 5.8143 5.8679 5.8951 5.9016 5.9288 8.3872 8.4420 8.4481 8.5403 8.9784 9.0726 9.2361 9.2653 9.3971 9.4965 10.4401 10.4507 10.9814 10.9866 k = 0.2683 0.5000 0.2683 ( 5954 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9099 -25.9099 -25.9090 -25.9090 -6.6970 -6.6942 -6.4171 -6.3752 -6.2713 -6.2276 -6.1996 -6.1983 1.1209 1.1329 1.3096 1.3325 1.3510 1.3826 1.6643 1.6960 2.3786 2.3822 2.3951 2.4052 2.5278 2.5338 2.6306 2.6589 2.7122 2.7665 2.7842 2.7970 3.0417 3.1791 3.1813 3.2003 3.8880 3.8919 4.0872 4.1186 4.1542 4.1613 4.2228 4.2804 4.3150 4.3502 4.3619 4.3808 4.5259 4.5366 4.6073 4.6501 4.6665 4.6727 4.8134 4.8401 4.8754 4.8998 5.0171 5.1086 5.7791 5.7874 5.8449 5.8709 5.8799 5.9094 8.3836 8.4304 8.4556 8.5524 8.9577 9.0429 9.2130 9.2419 9.3861 9.4892 10.4437 10.4546 11.0385 11.0431 k = 0.2561 0.5000 0.2561 ( 5964 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9099 -25.9099 -25.9089 -25.9089 -6.7127 -6.7101 -6.4210 -6.3796 -6.2636 -6.2200 -6.1906 -6.1894 1.1110 1.1241 1.3182 1.3406 1.3662 1.3958 1.6775 1.7101 2.3735 2.3764 2.3909 2.4009 2.5173 2.5237 2.6140 2.6649 2.7170 2.7505 2.7900 2.8025 3.0530 3.1913 3.1964 3.2154 3.8764 3.8793 4.0866 4.1163 4.1502 4.1612 4.2165 4.2785 4.3183 4.3500 4.3604 4.3789 4.5371 4.5406 4.6097 4.6582 4.6694 4.6801 4.8075 4.8483 4.8852 4.8943 5.0371 5.1346 5.7445 5.7583 5.8246 5.8423 5.8675 5.8930 8.3789 8.4160 8.4648 8.5661 8.9390 9.0130 9.1872 9.2159 9.3733 9.4802 10.4479 10.4587 11.0980 11.1017 k = 0.2439 0.5000 0.2439 ( 5962 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9099 -25.9099 -25.9088 -25.9088 -6.7283 -6.7259 -6.4250 -6.3845 -6.2554 -6.2124 -6.1816 -6.1803 1.1002 1.1140 1.3265 1.3481 1.3810 1.4085 1.6893 1.7221 2.3693 2.3716 2.3876 2.3973 2.5073 2.5141 2.5968 2.6697 2.7249 2.7376 2.7960 2.8088 3.0651 3.2032 3.2127 3.2310 3.8653 3.8669 4.0859 4.1138 4.1464 4.1620 4.2103 4.2760 4.3213 4.3502 4.3587 4.3775 4.5437 4.5477 4.6104 4.6647 4.6745 4.6881 4.7974 4.8518 4.8920 4.8987 5.0573 5.1603 5.7072 5.7265 5.8068 5.8168 5.8578 5.8797 8.3729 8.3992 8.4754 8.5811 8.9228 8.9838 9.1594 9.1877 9.3592 9.4697 10.4523 10.4625 11.1592 11.1617 k = 0.2317 0.5000 0.2317 ( 5970 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9098 -25.9098 -25.9087 -25.9087 -6.7435 -6.7414 -6.4291 -6.3898 -6.2469 -6.2047 -6.1725 -6.1713 1.0886 1.1029 1.3342 1.3548 1.3953 1.4207 1.6997 1.7322 2.3662 2.3678 2.3851 2.3943 2.4978 2.5049 2.5799 2.6696 2.7316 2.7348 2.8021 2.8153 3.0780 3.2151 3.2296 3.2470 3.8547 3.8549 4.0848 4.1112 4.1426 4.1634 4.2043 4.2727 4.3235 4.3508 4.3572 4.3766 4.5459 4.5566 4.6106 4.6688 4.6828 4.6956 4.7853 4.8480 4.8962 4.9144 5.0776 5.1854 5.6677 5.6918 5.7912 5.7946 5.8505 5.8692 8.3654 8.3798 8.4872 8.5972 8.9094 8.9559 9.1300 9.1576 9.3440 9.4579 10.4564 10.4656 11.2213 11.2222 k = 0.2195 0.5000 0.2195 ( 5970 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9098 -25.9098 -25.9086 -25.9086 -6.7585 -6.7565 -6.4333 -6.3954 -6.2382 -6.1970 -6.1635 -6.1622 1.0762 1.0908 1.3412 1.3606 1.4088 1.4321 1.7086 1.7404 2.3640 2.3649 2.3834 2.3918 2.4888 2.4962 2.5642 2.6627 2.7344 2.7460 2.8084 2.8220 3.0919 3.2272 3.2471 3.2635 3.8434 3.8445 4.0833 4.1086 4.1392 4.1651 4.1987 4.2690 4.3247 4.3522 4.3560 4.3761 4.5465 4.5623 4.6122 4.6723 4.6925 4.7010 4.7734 4.8385 4.9056 4.9314 5.0980 5.2097 5.6268 5.6548 5.7757 5.7776 5.8455 5.8613 8.3562 8.3583 8.5000 8.6141 8.8989 8.9302 9.0994 9.1261 9.3281 9.4453 10.4596 10.4675 11.2822 11.2833 k = 0.2073 0.5000 0.2073 ( 5972 PWs) bands (ev): -61.6193 -61.6193 -34.5462 -34.5462 -25.9098 -25.9098 -25.9085 -25.9085 -6.7730 -6.7713 -6.4376 -6.4011 -6.2294 -6.1894 -6.1546 -6.1533 1.0632 1.0778 1.3474 1.3656 1.4214 1.4427 1.7162 1.7469 2.3629 2.3630 2.3824 2.3900 2.4804 2.4880 2.5498 2.6513 2.7435 2.7581 2.8149 2.8287 3.1068 3.2393 3.2651 3.2804 3.8322 3.8349 4.0814 4.1061 4.1363 4.1671 4.1936 4.2647 4.3245 4.3546 4.3553 4.3759 4.5458 4.5631 4.6171 4.6760 4.7020 4.7025 4.7645 4.8265 4.9174 4.9490 5.1182 5.2328 5.5848 5.6162 5.7600 5.7660 5.8422 5.8556 8.3349 8.3451 8.5135 8.6316 8.8912 8.9072 9.0680 9.0936 9.3117 9.4317 10.4615 10.4681 11.3408 11.3443 k = 0.1951 0.5000 0.1951 ( 5968 PWs) bands (ev): -61.6193 -61.6193 -34.5462 -34.5462 -25.9097 -25.9097 -25.9083 -25.9083 -6.7871 -6.7855 -6.4418 -6.4070 -6.2205 -6.1820 -6.1458 -6.1445 1.0498 1.0643 1.3528 1.3696 1.4331 1.4524 1.7226 1.7518 2.3621 2.3627 2.3820 2.3886 2.4726 2.4803 2.5370 2.6384 2.7556 2.7707 2.8214 2.8354 3.1226 3.2516 3.2835 3.2976 3.8216 3.8257 4.0789 4.1038 4.1343 4.1691 4.1889 4.2602 4.3231 4.3550 4.3577 4.3760 4.5436 4.5590 4.6254 4.6803 4.6961 4.7122 4.7614 4.8138 4.9305 4.9670 5.1382 5.2544 5.5424 5.5765 5.7472 5.7567 5.8404 5.8517 8.3102 8.3319 8.5276 8.6494 8.8862 8.8874 9.0364 9.0606 9.2950 9.4176 10.4618 10.4669 11.3968 11.4031 k = 0.1829 0.5000 0.1829 ( 5956 PWs) bands (ev): -61.6193 -61.6193 -34.5462 -34.5462 -25.9097 -25.9097 -25.9082 -25.9082 -6.8007 -6.7993 -6.4459 -6.4129 -6.2117 -6.1747 -6.1371 -6.1360 1.0360 1.0502 1.3574 1.3727 1.4438 1.4613 1.7277 1.7553 2.3623 2.3635 2.3823 2.3878 2.4653 2.4731 2.5260 2.6254 2.7690 2.7833 2.8281 2.8420 3.1394 3.2639 3.3023 3.3153 3.8115 3.8170 4.0762 4.1019 4.1331 4.1711 4.1847 4.2555 4.3206 4.3551 4.3612 4.3762 4.5400 4.5513 4.6357 4.6841 4.6848 4.7206 4.7639 4.8021 4.9443 4.9848 5.1577 5.2742 5.4999 5.5365 5.7375 5.7498 5.8398 5.8493 8.2846 8.3166 8.5419 8.6671 8.8714 8.8836 9.0051 9.0277 9.2781 9.4029 10.4602 10.4637 11.4490 11.4584 k = 0.1707 0.5000 0.1707 ( 5964 PWs) bands (ev): -61.6193 -61.6193 -34.5462 -34.5462 -25.9096 -25.9096 -25.9081 -25.9081 -6.8136 -6.8124 -6.4500 -6.4188 -6.2029 -6.1678 -6.1288 -6.1277 1.0221 1.0359 1.3610 1.3749 1.4534 1.4691 1.7318 1.7575 2.3633 2.3651 2.3831 2.3875 2.4587 2.4664 2.5168 2.6130 2.7826 2.7957 2.8347 2.8484 3.1570 3.2763 3.3213 3.3332 3.8018 3.8085 4.0733 4.1001 4.1329 4.1730 4.1810 4.2508 4.3170 4.3556 4.3649 4.3764 4.5353 4.5412 4.6455 4.6700 4.6892 4.7261 4.7694 4.7934 4.9585 5.0019 5.1763 5.2914 5.4578 5.4963 5.7309 5.7458 5.8402 5.8481 8.2586 8.2991 8.5562 8.6843 8.8593 8.8831 8.9745 8.9954 9.2613 9.3878 10.4564 10.4586 11.4961 11.5089 k = 0.1585 0.5000 0.1585 ( 5960 PWs) bands (ev): -61.6193 -61.6193 -34.5461 -34.5461 -25.9096 -25.9096 -25.9080 -25.9080 -6.8260 -6.8249 -6.4538 -6.4246 -6.1944 -6.1611 -6.1207 -6.1196 1.0082 1.0214 1.3638 1.3763 1.4620 1.4760 1.7348 1.7586 2.3653 2.3675 2.3843 2.3875 2.4526 2.4601 2.5094 2.6016 2.7959 2.8076 2.8415 2.8546 3.1753 3.2885 3.3404 3.3514 3.7926 3.8003 4.0707 4.0987 4.1336 4.1746 4.1778 4.2463 4.3126 4.3563 4.3685 4.3766 4.5296 4.5298 4.6427 4.6677 4.6922 4.7276 4.7765 4.7906 4.9729 5.0183 5.1938 5.3053 5.4167 5.4566 5.7275 5.7447 5.8414 5.8477 8.2327 8.2799 8.5702 8.7003 8.8510 8.8843 8.9452 8.9648 9.2448 9.3722 10.4506 10.4513 11.5369 11.5530 k = 0.1463 0.5000 0.1463 ( 5958 PWs) bands (ev): -61.6193 -61.6193 -34.5461 -34.5461 -25.9096 -25.9095 -25.9079 -25.9079 -6.8376 -6.8367 -6.4574 -6.4302 -6.1861 -6.1548 -6.1130 -6.1120 0.9946 1.0071 1.3659 1.3770 1.4696 1.4821 1.7368 1.7587 2.3682 2.3704 2.3859 2.3880 2.4471 2.4543 2.5038 2.5913 2.8085 2.8187 2.8482 2.8606 3.1942 3.3007 3.3595 3.3696 3.7838 3.7922 4.0686 4.0976 4.1353 4.1751 4.1761 4.2422 4.3074 4.3571 4.3719 4.3767 4.5170 4.5237 4.6258 4.6789 4.6908 4.7274 4.7842 4.7942 4.9871 5.0334 5.2096 5.3145 5.3782 5.4176 5.7274 5.7470 5.8431 5.8479 8.2074 8.2591 8.5833 8.7140 8.8464 8.8867 8.9179 8.9369 9.2286 9.3564 10.4422 10.4426 11.5703 11.5891 k = 0.1341 0.5000 0.1341 ( 5970 PWs) bands (ev): -61.6194 -61.6194 -34.5461 -34.5461 -25.9095 -25.9095 -25.9078 -25.9078 -6.8485 -6.8477 -6.4608 -6.4357 -6.1781 -6.1489 -6.1057 -6.1048 0.9813 0.9931 1.3672 1.3770 1.4762 1.4872 1.7380 1.7581 2.3716 2.3738 2.3877 2.3887 2.4422 2.4489 2.4997 2.5821 2.8201 2.8289 2.8550 2.8664 3.2135 3.3125 3.3784 3.3877 3.7754 3.7842 4.0674 4.0968 4.1377 4.1728 4.1774 4.2385 4.3015 4.3576 4.3750 4.3766 4.5041 4.5172 4.6066 4.6823 4.6925 4.7302 4.7922 4.8019 5.0010 5.0472 5.2233 5.3121 5.3491 5.3798 5.7307 5.7524 5.8452 5.8486 8.1831 8.2373 8.5952 8.7238 8.8449 8.8900 8.8933 8.9134 9.2129 9.3403 10.4313 10.4327 11.5954 11.6159 k = 0.1220 0.5000 0.1220 ( 5962 PWs) bands (ev): -61.6193 -61.6193 -34.5461 -34.5461 -25.9095 -25.9095 -25.9077 -25.9077 -6.8586 -6.8579 -6.4639 -6.4409 -6.1705 -6.1435 -6.0988 -6.0980 0.9686 0.9795 1.3679 1.3765 1.4819 1.4916 1.7386 1.7567 2.3758 2.3774 2.3897 2.3897 2.4378 2.4440 2.4972 2.5738 2.8307 2.8381 2.8617 2.8718 3.2329 3.3240 3.3968 3.4057 3.7674 3.7763 4.0674 4.0964 4.1408 4.1712 4.1787 4.2353 4.2948 4.3575 4.3764 4.3778 4.4913 4.5105 4.5872 4.6684 4.7070 4.7365 4.8004 4.8119 5.0142 5.0594 5.2344 5.2866 5.3414 5.3436 5.7372 5.7609 5.8475 5.8496 8.1602 8.2150 8.6053 8.7276 8.8457 8.8728 8.8931 8.8973 9.1981 9.3240 10.4190 10.4211 11.6122 11.6326 k = 0.1098 0.5000 0.1098 ( 5972 PWs) bands (ev): -61.6194 -61.6194 -34.5461 -34.5461 -25.9095 -25.9095 -25.9077 -25.9077 -6.8679 -6.8673 -6.4667 -6.4459 -6.1632 -6.1387 -6.0925 -6.0917 0.9567 0.9666 1.3682 1.3756 1.4868 1.4952 1.7386 1.7549 2.3803 2.3811 2.3908 2.3918 2.4340 2.4395 2.4961 2.5666 2.8401 2.8461 2.8682 2.8769 3.2520 3.3349 3.4147 3.4231 3.7597 3.7684 4.0687 4.0964 4.1446 4.1703 4.1799 4.2326 4.2876 4.3560 4.3762 4.3801 4.4795 4.5039 4.5681 4.6516 4.7218 4.7449 4.8083 4.8228 5.0266 5.0701 5.2421 5.2534 5.3101 5.3403 5.7466 5.7718 5.8501 5.8507 8.1390 8.1927 8.6127 8.7239 8.8454 8.8601 8.8873 8.8982 9.1842 9.3075 10.4056 10.4082 11.6210 11.6399 k = 0.0976 0.5000 0.0976 ( 5972 PWs) bands (ev): -61.6194 -61.6194 -34.5461 -34.5461 -25.9095 -25.9095 -25.9076 -25.9076 -6.8763 -6.8758 -6.4692 -6.4506 -6.1565 -6.1344 -6.0867 -6.0859 0.9456 0.9545 1.3681 1.3744 1.4909 1.4981 1.7382 1.7527 2.3848 2.3851 2.3920 2.3939 2.4308 2.4354 2.4961 2.5601 2.8484 2.8531 2.8744 2.8816 3.2708 3.3451 3.4318 3.4399 3.7525 3.7606 4.0713 4.0966 4.1488 4.1702 4.1812 4.2303 4.2800 4.3522 4.3764 4.3820 4.4692 4.4975 4.5500 4.6333 4.7369 4.7544 4.8160 4.8339 5.0377 5.0791 5.2208 5.2436 5.2824 5.3382 5.7584 5.7846 5.8518 5.8528 8.1197 8.1709 8.6170 8.7130 8.8385 8.8610 8.8864 8.9019 9.1717 9.2909 10.3917 10.3946 11.6234 11.6395 k = 0.0854 0.5000 0.0854 ( 5972 PWs) bands (ev): -61.6194 -61.6194 -34.5461 -34.5461 -25.9094 -25.9094 -25.9075 -25.9075 -6.8838 -6.8834 -6.4713 -6.4549 -6.1502 -6.1306 -6.0814 -6.0808 0.9355 0.9434 1.3676 1.3730 1.4943 1.5004 1.7375 1.7503 2.3882 2.3899 2.3933 2.3961 2.4282 2.4317 2.4971 2.5543 2.8556 2.8591 2.8802 2.8858 3.2888 3.3543 3.4478 3.4556 3.7456 3.7529 4.0752 4.0971 4.1534 4.1712 4.1826 4.2282 4.2722 4.3454 4.3772 4.3835 4.4610 4.4913 4.5333 4.6144 4.7523 4.7646 4.8232 4.8447 5.0473 5.0863 5.1910 5.2301 5.2699 5.3343 5.7717 5.7983 5.8530 5.8555 8.1027 8.1501 8.6180 8.6973 8.8329 8.8674 8.8906 8.9052 9.1610 9.2742 10.3777 10.3807 11.6209 11.6338 k = 0.0732 0.5000 0.0732 ( 5972 PWs) bands (ev): -61.6194 -61.6194 -34.5461 -34.5461 -25.9094 -25.9094 -25.9075 -25.9075 -6.8903 -6.8900 -6.4730 -6.4589 -6.1445 -6.1276 -6.0768 -6.0763 0.9265 0.9334 1.3671 1.3715 1.4972 1.5023 1.7367 1.7477 2.3913 2.3935 2.3956 2.3982 2.4261 2.4284 2.4991 2.5490 2.8617 2.8642 2.8853 2.8896 3.3057 3.3623 3.4627 3.4701 3.7393 3.7455 4.0800 4.0979 4.1582 4.1736 4.1842 4.2261 4.2643 4.3357 4.3783 4.3846 4.4553 4.4855 4.5187 4.5952 4.7677 4.7752 4.8295 4.8546 5.0548 5.0915 5.1653 5.2062 5.2689 5.3286 5.7858 5.8121 5.8541 5.8583 8.0882 8.1306 8.6160 8.6795 8.8318 8.8754 8.8966 8.9080 9.1525 9.2575 10.3642 10.3671 11.6154 11.6253 k = 0.0610 0.5000 0.0610 ( 5952 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9094 -25.9094 -25.9074 -25.9074 -6.8959 -6.8956 -6.4743 -6.4625 -6.1394 -6.1251 -6.0728 -6.0724 0.9189 0.9246 1.3665 1.3700 1.4995 1.5036 1.7359 1.7451 2.3939 2.3950 2.3998 2.4002 2.4245 2.4254 2.5018 2.5441 2.8669 2.8685 2.8898 2.8929 3.3215 3.3689 3.4761 3.4830 3.7336 3.7387 4.0853 4.0989 4.1632 4.1775 4.1861 4.2237 4.2569 4.3234 4.3797 4.3854 4.4520 4.4801 4.5068 4.5763 4.7832 4.7859 4.8348 4.8632 5.0595 5.0946 5.1451 5.1822 5.2703 5.3219 5.7997 5.8250 5.8553 5.8611 8.0763 8.1129 8.6122 8.6616 8.8350 8.8841 8.9011 8.9114 9.1467 9.2409 10.3518 10.3544 11.6085 11.6158 k = 0.0488 0.5000 0.0488 ( 5946 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9093 -25.9093 -25.9073 -25.9073 -6.9005 -6.9003 -6.4751 -6.4657 -6.1348 -6.1234 -6.0695 -6.0691 0.9126 0.9172 1.3659 1.3687 1.5013 1.5046 1.7353 1.7427 2.3958 2.3959 2.4022 2.4039 2.4228 2.4232 2.5051 2.5394 2.8709 2.8720 2.8935 2.8956 3.3356 3.3738 3.4878 3.4939 3.7285 3.7325 4.0906 4.1000 4.1689 4.1826 4.1882 4.2207 4.2503 4.3092 4.3811 4.3858 4.4509 4.4752 4.4979 4.5579 4.7963 4.7983 4.8388 4.8695 5.0608 5.0948 5.1316 5.1614 5.2721 5.3144 5.8125 5.8357 5.8570 5.8638 8.0671 8.0972 8.6076 8.6450 8.8414 8.8927 8.9017 8.9159 9.1441 9.2246 10.3408 10.3431 11.6015 11.6067 k = 0.0366 0.5000 0.0366 ( 5950 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9093 -25.9093 -25.9073 -25.9073 -6.9041 -6.9039 -6.4755 -6.4684 -6.1310 -6.1223 -6.0669 -6.0666 0.9077 0.9112 1.3654 1.3675 1.5028 1.5052 1.7349 1.7405 2.3967 2.3972 2.4041 2.4072 2.4207 2.4223 2.5088 2.5348 2.8741 2.8747 2.8964 2.8978 3.3480 3.3767 3.4975 3.5025 3.7243 3.7271 4.0951 4.1010 4.1753 4.1881 4.1905 4.2168 4.2454 4.2940 4.3823 4.3859 4.4517 4.4706 4.4926 4.5407 4.8061 4.8124 4.8417 4.8726 5.0597 5.0913 5.1248 5.1456 5.2743 5.3066 5.8234 5.8427 5.8599 5.8664 8.0607 8.0838 8.6037 8.6305 8.8499 8.8992 8.9008 8.9197 9.1451 9.2088 10.3319 10.3337 11.5953 11.5989 k = 0.0244 0.5000 0.0244 ( 5938 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9093 -25.9093 -25.9073 -25.9073 -6.9067 -6.9066 -6.4755 -6.4707 -6.1278 -6.1220 -6.0650 -6.0648 0.9043 0.9067 1.3651 1.3665 1.5039 1.5055 1.7349 1.7387 2.3973 2.3979 2.4061 2.4096 2.4192 2.4214 2.5128 2.5304 2.8763 2.8766 2.8985 2.8993 3.3584 3.3776 3.5051 3.5086 3.7212 3.7230 4.0986 4.1018 4.1829 4.1929 4.1931 4.2119 4.2433 4.2788 4.3834 4.3859 4.4537 4.4666 4.4913 4.5251 4.8150 4.8240 4.8447 4.8720 5.0589 5.0839 5.1230 5.1354 5.2772 5.2991 5.8321 5.8454 5.8640 5.8686 8.0573 8.0729 8.6013 8.6187 8.8595 8.8942 8.9081 8.9215 9.1495 9.1937 10.3254 10.3265 11.5907 11.5928 k = 0.0122 0.5000 0.0122 ( 5938 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9093 -25.9093 -25.9072 -25.9072 -6.9082 -6.9082 -6.4750 -6.4726 -6.1252 -6.1223 -6.0639 -6.0638 0.9026 0.9037 1.3651 1.3657 1.5047 1.5055 1.7352 1.7371 2.3978 2.3981 2.4080 2.4103 2.4188 2.4204 2.5171 2.5259 2.8776 2.8778 2.8998 2.9002 3.3667 3.3763 3.5101 3.5120 3.7194 3.7203 4.1009 4.1023 4.1908 4.1951 4.1962 4.2059 4.2457 4.2647 4.3843 4.3855 4.4564 4.4629 4.4942 4.5117 4.8223 4.8290 4.8508 4.8674 5.0609 5.0747 5.1238 5.1296 5.2811 5.2921 5.8384 5.8450 5.8677 5.8698 8.0568 8.0647 8.6013 8.6098 8.8694 8.8873 8.9142 8.9212 9.1571 9.1797 10.3214 10.3220 11.5879 11.5889 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -61.6193 -61.6193 -34.5460 -34.5460 -25.9093 -25.9093 -25.9073 -25.9073 -6.9087 -6.9087 -6.4740 -6.4740 -6.1234 -6.1234 -6.0634 -6.0634 0.9023 0.9023 1.3652 1.3652 1.5052 1.5052 1.7360 1.7360 2.3981 2.3981 2.4095 2.4095 2.4194 2.4194 2.5215 2.5215 2.8781 2.8781 2.9003 2.9003 3.3726 3.3726 3.5125 3.5125 3.7191 3.7191 4.1020 4.1020 4.1963 4.1963 4.1989 4.1989 4.2531 4.2531 4.3850 4.3850 4.4595 4.4595 4.5012 4.5012 4.8275 4.8275 4.8596 4.8596 5.0664 5.0664 5.1260 5.1260 5.2861 5.2861 5.8427 5.8427 5.8697 5.8697 8.0593 8.0593 8.6040 8.6040 8.8789 8.8789 8.9186 8.9186 9.1673 9.1673 10.3203 10.3203 11.5873 11.5873 k = 0.5000 0.5000-0.0000 ( 6024 PWs) bands (ev): -61.6194 -61.6194 -34.5464 -34.5464 -25.9105 -25.9105 -25.9085 -25.9085 -6.6505 -6.6505 -6.3986 -6.3986 -6.3062 -6.3062 -6.2068 -6.2068 1.1763 1.1763 1.3839 1.3839 1.4092 1.4092 2.0534 2.0534 2.3597 2.3597 2.3750 2.3750 2.4758 2.4758 2.5052 2.5052 2.5738 2.5738 2.8665 2.8665 2.9796 2.9796 3.0786 3.0786 3.8454 3.8454 4.1624 4.1624 4.1826 4.1826 4.2193 4.2193 4.3589 4.3589 4.3642 4.3642 4.4003 4.4003 4.7920 4.7920 4.8452 4.8452 4.8711 4.8711 4.8760 4.8760 4.9879 4.9879 5.5104 5.5104 5.5135 5.5135 6.0525 6.0525 8.5003 8.5003 8.7000 8.7000 8.7690 8.7690 9.3439 9.3439 9.3541 9.3541 11.1932 11.1932 11.1998 11.1998 k = 0.5000 0.5000 0.0172 ( 5968 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9104 -25.9104 -25.9084 -25.9084 -6.6502 -6.6502 -6.3986 -6.3986 -6.3062 -6.3062 -6.2069 -6.2069 1.1763 1.1763 1.3832 1.3832 1.4087 1.4087 2.0490 2.0490 2.3611 2.3611 2.3758 2.3758 2.4763 2.4763 2.5058 2.5058 2.5761 2.5761 2.8663 2.8663 2.9798 2.9798 3.0787 3.0787 3.8462 3.8462 4.1626 4.1626 4.1815 4.1815 4.2206 4.2206 4.3567 4.3567 4.3659 4.3659 4.4007 4.4007 4.7903 4.7903 4.8458 4.8458 4.8677 4.8677 4.8795 4.8795 4.9877 4.9877 5.5095 5.5095 5.5183 5.5183 6.0531 6.0531 8.4988 8.4988 8.6939 8.6939 8.7773 8.7773 9.3441 9.3441 9.3549 9.3549 11.1904 11.1904 11.1968 11.1968 k = 0.5000 0.5000 0.0345 ( 5968 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9104 -25.9104 -25.9084 -25.9084 -6.6491 -6.6491 -6.3985 -6.3985 -6.3061 -6.3061 -6.2075 -6.2075 1.1764 1.1764 1.3808 1.3808 1.4070 1.4070 2.0362 2.0362 2.3645 2.3645 2.3781 2.3781 2.4776 2.4776 2.5074 2.5074 2.5827 2.5827 2.8653 2.8653 2.9801 2.9801 3.0788 3.0788 3.8481 3.8481 4.1626 4.1626 4.1785 4.1785 4.2236 4.2236 4.3523 4.3523 4.3684 4.3684 4.4017 4.4017 4.7852 4.7852 4.8462 4.8462 4.8631 4.8631 4.8838 4.8838 4.9869 4.9869 5.5112 5.5112 5.5278 5.5278 6.0547 6.0547 8.4943 8.4943 8.6809 8.6809 8.7967 8.7967 9.3446 9.3446 9.3572 9.3572 11.1819 11.1819 11.1881 11.1881 k = 0.5000 0.5000 0.0517 ( 5972 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9104 -25.9104 -25.9084 -25.9084 -6.6473 -6.6473 -6.3984 -6.3984 -6.3060 -6.3060 -6.2084 -6.2084 1.1764 1.1764 1.3770 1.3770 1.4043 1.4043 2.0165 2.0165 2.3683 2.3683 2.3824 2.3824 2.4798 2.4798 2.5100 2.5100 2.5935 2.5935 2.8636 2.8636 2.9806 2.9806 3.0789 3.0789 3.8513 3.8513 4.1619 4.1619 4.1752 4.1752 4.2277 4.2277 4.3471 4.3471 4.3706 4.3706 4.4033 4.4033 4.7778 4.7778 4.8439 4.8439 4.8607 4.8607 4.8876 4.8876 4.9857 4.9857 5.5169 5.5169 5.5408 5.5408 6.0574 6.0574 8.4870 8.4870 8.6666 8.6666 8.8213 8.8213 9.3457 9.3457 9.3607 9.3607 11.1681 11.1681 11.1738 11.1738 k = 0.5000 0.5000 0.0690 ( 5964 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9104 -25.9104 -25.9085 -25.9085 -6.6449 -6.6449 -6.3983 -6.3983 -6.3059 -6.3059 -6.2096 -6.2096 1.1765 1.1765 1.3718 1.3718 1.4004 1.4004 1.9914 1.9914 2.3719 2.3719 2.3882 2.3882 2.4829 2.4829 2.5137 2.5137 2.6082 2.6082 2.8614 2.8614 2.9813 2.9813 3.0791 3.0791 3.8558 3.8558 4.1591 4.1591 4.1735 4.1735 4.2323 4.2323 4.3415 4.3415 4.3724 4.3724 4.4053 4.4053 4.7687 4.7687 4.8382 4.8382 4.8604 4.8604 4.8906 4.8906 4.9840 4.9840 5.5266 5.5266 5.5571 5.5571 6.0611 6.0611 8.4774 8.4774 8.6532 8.6532 8.8488 8.8488 9.3473 9.3473 9.3651 9.3651 11.1491 11.1491 11.1542 11.1542 k = 0.5000 0.5000 0.0862 ( 5964 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9104 -25.9104 -25.9085 -25.9085 -6.6417 -6.6417 -6.3981 -6.3981 -6.3057 -6.3057 -6.2113 -6.2113 1.1765 1.1765 1.3652 1.3652 1.3956 1.3956 1.9625 1.9625 2.3753 2.3753 2.3944 2.3944 2.4871 2.4871 2.5184 2.5184 2.6263 2.6263 2.8585 2.8585 2.9823 2.9823 3.0793 3.0793 3.8615 3.8615 4.1539 4.1539 4.1741 4.1741 4.2369 4.2369 4.3356 4.3356 4.3740 4.3740 4.4075 4.4075 4.7585 4.7585 4.8306 4.8306 4.8600 4.8600 4.8928 4.8928 4.9820 4.9820 5.5403 5.5403 5.5765 5.5765 6.0658 6.0658 8.4660 8.4660 8.6410 8.6410 8.8781 8.8781 9.3496 9.3496 9.3702 9.3702 11.1256 11.1256 11.1298 11.1298 k = 0.5000 0.5000 0.1034 ( 5976 PWs) bands (ev): -61.6193 -61.6193 -34.5463 -34.5463 -25.9104 -25.9104 -25.9086 -25.9086 -6.6379 -6.6379 -6.3979 -6.3979 -6.3054 -6.3054 -6.2132 -6.2132 1.1764 1.1764 1.3575 1.3575 1.3898 1.3898 1.9309 1.9309 2.3788 2.3788 2.4002 2.4002 2.4923 2.4923 2.5240 2.5240 2.6470 2.6470 2.8548 2.8548 2.9833 2.9833 3.0794 3.0794 3.8683 3.8683 4.1476 4.1476 4.1761 4.1761 4.2414 4.2414 4.3295 4.3295 4.3754 4.3754 4.4100 4.4100 4.7475 4.7475 4.8222 4.8222 4.8581 4.8581 4.8942 4.8942 4.9798 4.9798 5.5580 5.5580 5.5988 5.5988 6.0714 6.0714 8.4534 8.4534 8.6301 8.6301 8.9085 8.9085 9.3523 9.3523 9.3758 9.3758 11.0979 11.0979 11.1012 11.1012 k = 0.5000 0.5000 0.1207 ( 5976 PWs) bands (ev): -61.6193 -61.6193 -34.5464 -34.5464 -25.9104 -25.9104 -25.9087 -25.9087 -6.6335 -6.6335 -6.3976 -6.3976 -6.3052 -6.3052 -6.2155 -6.2155 1.1763 1.1763 1.3487 1.3487 1.3830 1.3830 1.8974 1.8974 2.3827 2.3827 2.4053 2.4053 2.4985 2.4985 2.5305 2.5305 2.6696 2.6696 2.8507 2.8507 2.9845 2.9845 3.0795 3.0795 3.8762 3.8762 4.1408 4.1408 4.1790 4.1790 4.2456 4.2456 4.3234 4.3234 4.3768 4.3768 4.4126 4.4126 4.7357 4.7357 4.8132 4.8132 4.8543 4.8543 4.8945 4.8945 4.9775 4.9775 5.5795 5.5795 5.6239 5.6239 6.0779 6.0779 8.4404 8.4404 8.6203 8.6203 8.9398 8.9398 9.3554 9.3554 9.3816 9.3816 11.0666 11.0666 11.0691 11.0691 k = 0.5000 0.5000 0.1379 ( 5972 PWs) bands (ev): -61.6193 -61.6193 -34.5464 -34.5464 -25.9104 -25.9104 -25.9087 -25.9087 -6.6284 -6.6284 -6.3974 -6.3974 -6.3049 -6.3049 -6.2182 -6.2182 1.1760 1.1760 1.3391 1.3391 1.3755 1.3755 1.8629 1.8629 2.3869 2.3869 2.4099 2.4099 2.5058 2.5058 2.5377 2.5377 2.6934 2.6934 2.8460 2.8460 2.9859 2.9859 3.0795 3.0795 3.8850 3.8850 4.1340 4.1340 4.1824 4.1824 4.2494 4.2494 4.3175 4.3175 4.3781 4.3781 4.4154 4.4154 4.7234 4.7234 4.8040 4.8040 4.8483 4.8483 4.8937 4.8937 4.9750 4.9750 5.6046 5.6046 5.6515 5.6515 6.0851 6.0851 8.4274 8.4274 8.6111 8.6111 8.9715 8.9715 9.3586 9.3586 9.3874 9.3874 11.0324 11.0324 11.0344 11.0344 k = 0.5000 0.5000 0.1552 ( 5972 PWs) bands (ev): -61.6193 -61.6193 -34.5464 -34.5464 -25.9104 -25.9104 -25.9088 -25.9088 -6.6228 -6.6228 -6.3971 -6.3971 -6.3046 -6.3046 -6.2212 -6.2212 1.1756 1.1756 1.3287 1.3287 1.3673 1.3673 1.8278 1.8278 2.3916 2.3916 2.4142 2.4142 2.5139 2.5139 2.5457 2.5457 2.7176 2.7176 2.8408 2.8408 2.9873 2.9873 3.0793 3.0793 3.8948 3.8948 4.1273 4.1273 4.1863 4.1863 4.2528 4.2528 4.3119 4.3119 4.3795 4.3795 4.4183 4.4183 4.7105 4.7105 4.7946 4.7946 4.8402 4.8402 4.8917 4.8917 4.9723 4.9723 5.6329 5.6329 5.6815 5.6815 6.0931 6.0931 8.4151 8.4151 8.6025 8.6025 9.0032 9.0032 9.3616 9.3616 9.3929 9.3929 10.9956 10.9956 10.9980 10.9980 k = 0.5000 0.5000 0.1724 ( 5972 PWs) bands (ev): -61.6193 -61.6193 -34.5464 -34.5464 -25.9104 -25.9104 -25.9089 -25.9089 -6.6166 -6.6166 -6.3969 -6.3969 -6.3042 -6.3042 -6.2245 -6.2245 1.1749 1.1749 1.3179 1.3179 1.3585 1.3585 1.7924 1.7924 2.3967 2.3967 2.4182 2.4182 2.5229 2.5229 2.5543 2.5543 2.7418 2.7418 2.8351 2.8351 2.9889 2.9889 3.0789 3.0789 3.9053 3.9053 4.1210 4.1210 4.1905 4.1905 4.2555 4.2555 4.3068 4.3068 4.3809 4.3809 4.4215 4.4215 4.6971 4.6971 4.7851 4.7851 4.8303 4.8303 4.8884 4.8884 4.9692 4.9692 5.6641 5.6641 5.7135 5.7135 6.1016 6.1016 8.4039 8.4039 8.5943 8.5943 9.0348 9.0348 9.3643 9.3643 9.3977 9.3977 10.9571 10.9571 10.9608 10.9608 k = 0.5000 0.5000 0.1897 ( 5972 PWs) bands (ev): -61.6193 -61.6193 -34.5464 -34.5464 -25.9104 -25.9104 -25.9090 -25.9090 -6.6098 -6.6098 -6.3966 -6.3966 -6.3039 -6.3039 -6.2282 -6.2282 1.1740 1.1740 1.3067 1.3067 1.3492 1.3492 1.7573 1.7573 2.4022 2.4022 2.4224 2.4224 2.5326 2.5326 2.5635 2.5635 2.7654 2.7654 2.8291 2.8291 2.9905 2.9905 3.0783 3.0783 3.9163 3.9163 4.1152 4.1152 4.1951 4.1951 4.2574 4.2574 4.3025 4.3025 4.3823 4.3823 4.4248 4.4248 4.6833 4.6833 4.7756 4.7756 4.8186 4.8186 4.8840 4.8840 4.9656 4.9656 5.6978 5.6978 5.7474 5.7474 6.1107 6.1107 8.3942 8.3942 8.5862 8.5862 9.0656 9.0656 9.3664 9.3664 9.4017 9.4017 10.9180 10.9180 10.9231 10.9231 k = 0.5000 0.5000 0.2069 ( 5972 PWs) bands (ev): -61.6193 -61.6193 -34.5464 -34.5464 -25.9104 -25.9104 -25.9091 -25.9091 -6.6026 -6.6026 -6.3964 -6.3964 -6.3035 -6.3035 -6.2321 -6.2321 1.1728 1.1728 1.2954 1.2954 1.3395 1.3395 1.7226 1.7226 2.4081 2.4081 2.4267 2.4267 2.5430 2.5430 2.5732 2.5732 2.7877 2.7877 2.8232 2.8232 2.9923 2.9923 3.0775 3.0775 3.9278 3.9278 4.1102 4.1102 4.2000 4.2000 4.2585 4.2585 4.2992 4.2992 4.3836 4.3836 4.4284 4.4284 4.6691 4.6691 4.7662 4.7662 4.8055 4.8055 4.8786 4.8786 4.9611 4.9611 5.7337 5.7337 5.7827 5.7827 6.1201 6.1201 8.3861 8.3861 8.5783 8.5783 9.0955 9.0955 9.3675 9.3675 9.4044 9.4044 10.8790 10.8790 10.8858 10.8858 k = 0.5000 0.5000 0.2241 ( 5964 PWs) bands (ev): -61.6193 -61.6193 -34.5464 -34.5464 -25.9104 -25.9104 -25.9092 -25.9092 -6.5950 -6.5950 -6.3962 -6.3962 -6.3031 -6.3031 -6.2363 -6.2363 1.1712 1.1712 1.2842 1.2842 1.3297 1.3297 1.6885 1.6885 2.4145 2.4145 2.4314 2.4314 2.5540 2.5540 2.5833 2.5833 2.8054 2.8054 2.8203 2.8203 2.9941 2.9941 3.0763 3.0763 3.9394 3.9394 4.1062 4.1062 4.2051 4.2051 4.2585 4.2585 4.2971 4.2971 4.3848 4.3848 4.4322 4.4322 4.6548 4.6548 4.7570 4.7570 4.7913 4.7913 4.8723 4.8723 4.9555 4.9555 5.7711 5.7711 5.8193 5.8193 6.1299 6.1299 8.3801 8.3801 8.5706 8.5706 9.1238 9.1238 9.3674 9.3674 9.4057 9.4057 10.8409 10.8409 10.8493 10.8493 k = 0.5000 0.5000 0.2414 ( 5960 PWs) bands (ev): -61.6193 -61.6193 -34.5464 -34.5464 -25.9104 -25.9104 -25.9093 -25.9093 -6.5870 -6.5870 -6.3961 -6.3961 -6.3027 -6.3027 -6.2408 -6.2408 1.1693 1.1693 1.2734 1.2734 1.3196 1.3196 1.6553 1.6553 2.4212 2.4212 2.4365 2.4365 2.5653 2.5653 2.5937 2.5937 2.8053 2.8053 2.8335 2.8335 2.9960 2.9960 3.0748 3.0748 3.9509 3.9509 4.1034 4.1034 4.2103 4.2103 4.2576 4.2576 4.2961 4.2961 4.3857 4.3857 4.4363 4.4363 4.6405 4.6405 4.7479 4.7479 4.7762 4.7762 4.8653 4.8653 4.9487 4.9487 5.8098 5.8098 5.8567 5.8567 6.1398 6.1398 8.3761 8.3761 8.5629 8.5629 9.1502 9.1502 9.3659 9.3659 9.4053 9.4053 10.8042 10.8042 10.8142 10.8142 k = 0.5000 0.5000 0.2586 ( 5964 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9104 -25.9104 -25.9094 -25.9094 -6.5786 -6.5786 -6.3961 -6.3961 -6.3023 -6.3023 -6.2454 -6.2454 1.1669 1.1669 1.2631 1.2631 1.3096 1.3096 1.6231 1.6231 2.4282 2.4282 2.4420 2.4420 2.5770 2.5770 2.6043 2.6043 2.7986 2.7986 2.8514 2.8514 2.9980 2.9980 3.0729 3.0729 3.9617 3.9617 4.1023 4.1023 4.2156 4.2156 4.2560 4.2560 4.2961 4.2961 4.3863 4.3863 4.4407 4.4407 4.6263 4.6263 4.7391 4.7391 4.7605 4.7605 4.8578 4.8578 4.9405 4.9405 5.8492 5.8492 5.8946 5.8946 6.1498 6.1498 8.3745 8.3745 8.5553 8.5553 9.1741 9.1741 9.3627 9.3627 9.4029 9.4029 10.7696 10.7696 10.7808 10.7808 k = 0.5000 0.5000 0.2759 ( 5960 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9104 -25.9104 -25.9095 -25.9095 -6.5700 -6.5700 -6.3962 -6.3962 -6.3019 -6.3019 -6.2503 -6.2503 1.1640 1.1640 1.2536 1.2536 1.2998 1.2998 1.5921 1.5921 2.4356 2.4356 2.4479 2.4479 2.5889 2.5889 2.6152 2.6152 2.7911 2.7911 2.8682 2.8682 3.0002 3.0002 3.0707 3.0707 3.9717 3.9717 4.1031 4.1031 4.2210 4.2210 4.2540 4.2540 4.2969 4.2969 4.3865 4.3865 4.4453 4.4453 4.6125 4.6125 4.7305 4.7305 4.7444 4.7444 4.8498 4.8498 4.9308 4.9308 5.8888 5.8888 5.9325 5.9325 6.1599 6.1599 8.3751 8.3751 8.5479 8.5479 9.1951 9.1951 9.3578 9.3578 9.3986 9.3986 10.7371 10.7371 10.7493 10.7493 k = 0.5000 0.5000 0.2931 ( 5968 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9105 -25.9105 -25.9097 -25.9097 -6.5611 -6.5611 -6.3965 -6.3965 -6.3015 -6.3015 -6.2553 -6.2553 1.1605 1.1605 1.2452 1.2452 1.2901 1.2901 1.5624 1.5624 2.4431 2.4431 2.4541 2.4541 2.6007 2.6007 2.6260 2.6260 2.7834 2.7834 2.8832 2.8832 3.0027 3.0027 3.0682 3.0682 3.9801 3.9801 4.1062 4.1062 4.2262 4.2262 4.2518 4.2518 4.2983 4.2983 4.3860 4.3860 4.4500 4.4500 4.5994 4.5994 4.7223 4.7223 4.7283 4.7283 4.8416 4.8416 4.9197 4.9197 5.9282 5.9282 5.9700 5.9700 6.1698 6.1698 8.3779 8.3779 8.5407 8.5407 9.2126 9.2126 9.3510 9.3510 9.3923 9.3923 10.7067 10.7067 10.7200 10.7200 k = 0.5000 0.5000 0.3103 ( 5968 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9104 -25.9104 -25.9098 -25.9098 -6.5521 -6.5521 -6.3968 -6.3968 -6.3011 -6.3011 -6.2605 -6.2605 1.1565 1.1565 1.2380 1.2380 1.2808 1.2808 1.5342 1.5342 2.4509 2.4509 2.4606 2.4606 2.6124 2.6124 2.6368 2.6368 2.7756 2.7756 2.8962 2.8962 3.0054 3.0054 3.0653 3.0653 3.9869 3.9869 4.1118 4.1118 4.2314 4.2314 4.2497 4.2497 4.3002 4.3002 4.3848 4.3848 4.4548 4.4548 4.5873 4.5873 4.7121 4.7121 4.7147 4.7147 4.8333 4.8333 4.9073 4.9073 5.9669 5.9669 6.0068 6.0068 6.1795 6.1795 8.3829 8.3829 8.5337 8.5337 9.2264 9.2264 9.3426 9.3426 9.3840 9.3840 10.6784 10.6784 10.6936 10.6936 k = 0.5000 0.5000 0.3276 ( 5972 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9104 -25.9104 -25.9099 -25.9099 -6.5431 -6.5431 -6.3974 -6.3974 -6.3007 -6.3007 -6.2656 -6.2656 1.1520 1.1520 1.2320 1.2320 1.2719 1.2719 1.5075 1.5075 2.4587 2.4587 2.4673 2.4673 2.6238 2.6238 2.6473 2.6473 2.7680 2.7680 2.9072 2.9072 3.0085 3.0085 3.0622 3.0622 3.9919 3.9919 4.1198 4.1198 4.2363 4.2363 4.2477 4.2477 4.3025 4.3025 4.3827 4.3827 4.4596 4.4596 4.5763 4.5763 4.6969 4.6969 4.7071 4.7071 4.8250 4.8250 4.8936 4.8936 6.0045 6.0045 6.0422 6.0422 6.1890 6.1890 8.3898 8.3898 8.5271 8.5271 9.2362 9.2362 9.3326 9.3326 9.3740 9.3740 10.6527 10.6527 10.6711 10.6711 k = 0.5000 0.5000 0.3448 ( 5972 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9104 -25.9104 -25.9100 -25.9100 -6.5340 -6.5340 -6.3982 -6.3982 -6.3004 -6.3004 -6.2707 -6.2707 1.1470 1.1470 1.2275 1.2275 1.2636 1.2636 1.4825 1.4825 2.4665 2.4665 2.4740 2.4740 2.6348 2.6348 2.6574 2.6574 2.7607 2.7607 2.9162 2.9162 3.0118 3.0118 3.0588 3.0588 3.9953 3.9953 4.1300 4.1300 4.2409 4.2409 4.2460 4.2460 4.3051 4.3051 4.3796 4.3796 4.4644 4.4644 4.5668 4.5668 4.6824 4.6824 4.7001 4.7001 4.8169 4.8169 4.8788 4.8788 6.0404 6.0404 6.0758 6.0758 6.1982 6.1982 8.3984 8.3984 8.5208 8.5208 9.2424 9.2424 9.3213 9.3213 9.3623 9.3623 10.6310 10.6310 10.6524 10.6524 k = 0.5000 0.5000 0.3621 ( 5956 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9104 -25.9104 -25.9101 -25.9101 -6.5251 -6.5251 -6.3992 -6.3992 -6.3001 -6.3001 -6.2757 -6.2757 1.1419 1.1419 1.2242 1.2242 1.2560 1.2560 1.4594 1.4594 2.4743 2.4743 2.4806 2.4806 2.6451 2.6451 2.6668 2.6668 2.7541 2.7541 2.9234 2.9234 3.0154 3.0154 3.0553 3.0553 3.9974 3.9974 4.1417 4.1417 4.2445 4.2445 4.2451 4.2451 4.3080 4.3080 4.3753 4.3753 4.4691 4.4691 4.5588 4.5588 4.6692 4.6692 4.6937 4.6937 4.8090 4.8090 4.8634 4.8634 6.0742 6.0742 6.1070 6.1070 6.2071 6.2071 8.4084 8.4084 8.5149 8.5149 9.2450 9.2450 9.3093 9.3093 9.3494 9.3494 10.6139 10.6139 10.6372 10.6372 k = 0.5000 0.5000 0.3793 ( 5948 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9104 -25.9104 -25.9101 -25.9101 -6.5164 -6.5164 -6.4005 -6.4005 -6.2998 -6.2998 -6.2804 -6.2804 1.1368 1.1368 1.2221 1.2221 1.2490 1.2490 1.4382 1.4382 2.4817 2.4817 2.4870 2.4870 2.6546 2.6546 2.6750 2.6750 2.7483 2.7483 2.9288 2.9288 3.0191 3.0191 3.0517 3.0517 3.9985 3.9985 4.1546 4.1546 4.2432 4.2432 4.2489 4.2489 4.3110 4.3110 4.3699 4.3699 4.4738 4.4738 4.5521 4.5521 4.6577 4.6577 4.6876 4.6876 4.8016 4.8016 4.8476 4.8476 6.1054 6.1054 6.1353 6.1353 6.2159 6.2159 8.4193 8.4193 8.5094 8.5094 9.2449 9.2449 9.2970 9.2970 9.3355 9.3355 10.6017 10.6017 10.6252 10.6252 k = 0.5000 0.5000 0.3966 ( 5948 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9104 -25.9104 -25.9102 -25.9102 -6.5080 -6.5080 -6.4021 -6.4021 -6.2995 -6.2995 -6.2848 -6.2848 1.1319 1.1319 1.2210 1.2210 1.2428 1.2428 1.4192 1.4192 2.4887 2.4887 2.4930 2.4930 2.6632 2.6632 2.6817 2.6817 2.7439 2.7439 2.9327 2.9327 3.0227 3.0227 3.0481 3.0481 3.9990 3.9990 4.1679 4.1679 4.2422 4.2422 4.2521 4.2521 4.3142 4.3142 4.3634 4.3634 4.4784 4.4784 4.5464 4.5464 4.6483 4.6483 4.6819 4.6819 4.7947 4.7947 4.8318 4.8318 6.1335 6.1335 6.1598 6.1598 6.2247 6.2247 8.4308 8.4308 8.5045 8.5045 9.2428 9.2428 9.2848 9.2848 9.3210 9.3210 10.5939 10.5939 10.6158 10.6158 k = 0.5000 0.5000 0.4138 ( 5948 PWs) bands (ev): -61.6193 -61.6193 -34.5466 -34.5466 -25.9104 -25.9104 -25.9102 -25.9102 -6.5002 -6.5002 -6.4038 -6.4038 -6.2993 -6.2993 -6.2888 -6.2888 1.1274 1.1274 1.2208 1.2208 1.2374 1.2374 1.4024 1.4024 2.4951 2.4951 2.4984 2.4984 2.6707 2.6707 2.6864 2.6864 2.7411 2.7411 2.9355 2.9355 3.0260 3.0260 3.0447 3.0447 3.9991 3.9991 4.1813 4.1813 4.2412 4.2412 4.2549 4.2549 4.3173 4.3173 4.3562 4.3562 4.4831 4.4831 4.5411 4.5411 4.6416 4.6416 4.6767 4.6767 4.7884 4.7884 4.8167 4.8167 6.1581 6.1581 6.1799 6.1799 6.2337 6.2337 8.4421 8.4421 8.5000 8.5000 9.2395 9.2395 9.2736 9.2736 9.3064 9.3064 10.5898 10.5898 10.6087 10.6087 k = 0.5000 0.5000 0.4310 ( 5956 PWs) bands (ev): -61.6193 -61.6193 -34.5466 -34.5466 -25.9104 -25.9104 -25.9103 -25.9103 -6.4931 -6.4931 -6.4058 -6.4058 -6.2991 -6.2991 -6.2922 -6.2922 1.1235 1.1235 1.2211 1.2211 1.2330 1.2330 1.3881 1.3881 2.5007 2.5007 2.5031 2.5031 2.6770 2.6770 2.6889 2.6889 2.7402 2.7402 2.9373 2.9373 3.0289 3.0289 3.0417 3.0417 3.9990 3.9990 4.1941 4.1941 4.2403 4.2403 4.2570 4.2570 4.3201 4.3201 4.3486 4.3486 4.4880 4.4880 4.5358 4.5358 4.6377 4.6377 4.6717 4.6717 4.7831 4.7831 4.8028 4.8028 6.1788 6.1788 6.1952 6.1952 6.2429 6.2429 8.4528 8.4528 8.4961 8.4961 9.2360 9.2360 9.2638 9.2638 9.2922 9.2922 10.5883 10.5883 10.6034 10.6034 k = 0.5000 0.5000 0.4483 ( 5956 PWs) bands (ev): -61.6193 -61.6193 -34.5466 -34.5466 -25.9104 -25.9104 -25.9104 -25.9104 -6.4871 -6.4871 -6.4077 -6.4077 -6.2990 -6.2990 -6.2950 -6.2950 1.1204 1.1204 1.2218 1.2218 1.2294 1.2294 1.3765 1.3765 2.5053 2.5053 2.5069 2.5069 2.6821 2.6821 2.6897 2.6897 2.7407 2.7407 2.9385 2.9385 3.0313 3.0313 3.0391 3.0391 3.9989 3.9989 4.2061 4.2061 4.2392 4.2392 4.2587 4.2587 4.3227 4.3227 4.3412 4.3412 4.4932 4.4932 4.5301 4.5301 4.6366 4.6366 4.6669 4.6669 4.7787 4.7787 4.7908 4.7908 6.1953 6.1953 6.2057 6.2057 6.2519 6.2519 8.4624 8.4624 8.4925 8.4925 9.2328 9.2328 9.2562 9.2562 9.2791 9.2791 10.5886 10.5886 10.5996 10.5996 k = 0.5000 0.5000 0.4655 ( 5948 PWs) bands (ev): -61.6193 -61.6193 -34.5466 -34.5466 -25.9104 -25.9104 -25.9104 -25.9104 -6.4824 -6.4824 -6.4093 -6.4093 -6.2988 -6.2988 -6.2970 -6.2970 1.1181 1.1181 1.2227 1.2227 1.2268 1.2268 1.3680 1.3680 2.5088 2.5088 2.5097 2.5097 2.6858 2.6858 2.6895 2.6895 2.7418 2.7418 2.9392 2.9392 3.0331 3.0331 3.0371 3.0371 3.9987 3.9987 4.2165 4.2165 4.2376 4.2376 4.2599 4.2599 4.3247 4.3247 4.3348 4.3348 4.4989 4.4989 4.5240 4.5240 4.6377 4.6377 4.6623 4.6623 4.7755 4.7755 4.7815 4.7815 6.2074 6.2074 6.2123 6.2123 6.2594 6.2594 8.4705 8.4705 8.4893 8.4893 9.2304 9.2304 9.2516 9.2516 9.2678 9.2678 10.5898 10.5898 10.5968 10.5968 k = 0.5000 0.5000 0.4828 ( 5932 PWs) bands (ev): -61.6193 -61.6193 -34.5466 -34.5466 -25.9104 -25.9104 -25.9104 -25.9104 -6.4793 -6.4793 -6.4105 -6.4105 -6.2988 -6.2988 -6.2983 -6.2983 1.1167 1.1167 1.2235 1.2235 1.2252 1.2252 1.3627 1.3627 2.5111 2.5111 2.5114 2.5114 2.6881 2.6881 2.6890 2.6890 2.7428 2.7428 2.9395 2.9395 3.0343 3.0343 3.0358 3.0358 3.9987 3.9987 4.2250 4.2250 4.2352 4.2352 4.2607 4.2607 4.3262 4.3262 4.3302 4.3302 4.5049 4.5049 4.5176 4.5176 4.6399 4.6399 4.6585 4.6585 4.7736 4.7736 4.7756 4.7756 6.2147 6.2147 6.2160 6.2160 6.2643 6.2643 8.4770 8.4770 8.4859 8.4859 9.2289 9.2289 9.2504 9.2504 9.2589 9.2589 10.5913 10.5913 10.5947 10.5947 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -61.6193 -61.6193 -34.5465 -34.5465 -25.9103 -25.9103 -25.9103 -25.9103 -6.4783 -6.4783 -6.4109 -6.4109 -6.2987 -6.2987 -6.2987 -6.2987 1.1162 1.1162 1.2242 1.2242 1.2242 1.2242 1.3609 1.3609 2.5119 2.5119 2.5119 2.5119 2.6889 2.6889 2.6889 2.6889 2.7432 2.7432 2.9397 2.9397 3.0350 3.0350 3.0350 3.0350 3.9987 3.9987 4.2312 4.2312 4.2312 4.2312 4.2610 4.2610 4.3277 4.3277 4.3277 4.3277 4.5112 4.5112 4.5112 4.5112 4.6411 4.6411 4.6568 4.6568 4.7733 4.7733 4.7733 4.7733 6.2172 6.2172 6.2172 6.2172 6.2661 6.2661 8.4820 8.4820 8.4820 8.4820 9.2283 9.2283 9.2529 9.2529 9.2529 9.2529 10.5930 10.5930 10.5930 10.5930 Writing output data file TaCu3S4.save init_run : 3.38s CPU 13.97s WALL ( 1 calls) electrons : 1324.41s CPU 1338.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.41s CPU 1.50s WALL ( 1 calls) Called by electrons: c_bands : 1324.35s CPU 1338.41s WALL ( 1 calls) v_of_rho : 0.16s CPU 0.96s WALL ( 1 calls) v_h : 0.05s CPU 0.05s WALL ( 1 calls) v_xc : 0.11s CPU 0.57s WALL ( 1 calls) newd : 0.95s CPU 1.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.28s WALL ( 225 calls) cegterg : 1256.57s CPU 1266.68s WALL ( 617 calls) Called by sum_band: Called by *egterg: h_psi : 391.88s CPU 400.11s WALL ( 10982 calls) s_psi : 80.89s CPU 81.63s WALL ( 10982 calls) g_psi : 1.05s CPU 1.06s WALL ( 10140 calls) cdiaghg : 603.26s CPU 602.06s WALL ( 10365 calls) cegterg:over : 105.43s CPU 102.70s WALL ( 10140 calls) cegterg:upda : 30.37s CPU 32.68s WALL ( 10140 calls) cegterg:last : 21.78s CPU 22.19s WALL ( 1386 calls) Called by h_psi: h_psi:vloc : 244.48s CPU 250.11s WALL ( 10982 calls) h_psi:vnl : 146.89s CPU 148.93s WALL ( 10982 calls) add_vuspsi : 59.72s CPU 63.14s WALL ( 10982 calls) General routines calbec : 87.10s CPU 85.62s WALL ( 10982 calls) fft : 0.32s CPU 1.15s WALL ( 19 calls) ffts : 0.05s CPU 0.10s WALL ( 4 calls) fftw : 232.90s CPU 236.66s WALL ( 1366272 calls) interpolate : 0.06s CPU 0.11s WALL ( 4 calls) davcio : 0.03s CPU 2.90s WALL ( 450 calls) Parallel routines fft_scatter : 155.84s CPU 154.97s WALL ( 1366295 calls) PWSCF : 23m17.60s CPU 25m33.43s WALL This run was terminated on: 7:37:35 30Oct2015 =------------------------------------------------------------------------------= JOB DONE. 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