Program PWSCF v.5.1.1 starts on 31Oct2015 at 20:48:37 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 1720 989 155 Max 49 34 10 1724 1012 160 Sum 2305 1597 465 82663 47937 7497 bravais-lattice index = 14 lattice parameter (alat) = 10.4313 a.u. unit-cell volume = 1135.0467 (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)= 10.431287 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: 82663 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 47937 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 266, 84) NL pseudopotentials 0.55 Mb ( 133, 272) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1722) G-vector shells 0.00 Mb ( 426) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.36 Mb ( 266, 336) Each subspace H/S matrix 1.72 Mb ( 336, 336) Each matrix 0.70 Mb ( 272, 2, 84) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./TaCu3S4.save/charge-density.dat Starting wfc are 106 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 52.6 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 62.5 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 72.5 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 83.0 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 93.0 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 102.9 secs Computing kpt #: 7 total cpu time spent up to now is 111.6 secs Computing kpt #: 8 total cpu time spent up to now is 118.3 secs Computing kpt #: 9 total cpu time spent up to now is 124.5 secs Computing kpt #: 10 total cpu time spent up to now is 130.6 secs Computing kpt #: 11 total cpu time spent up to now is 136.1 secs Computing kpt #: 12 total cpu time spent up to now is 141.9 secs Computing kpt #: 13 total cpu time spent up to now is 147.4 secs Computing kpt #: 14 total cpu time spent up to now is 152.3 secs Computing kpt #: 15 total cpu time spent up to now is 157.2 secs Computing kpt #: 16 total cpu time spent up to now is 162.0 secs Computing kpt #: 17 total cpu time spent up to now is 166.8 secs Computing kpt #: 18 total cpu time spent up to now is 171.6 secs Computing kpt #: 19 total cpu time spent up to now is 176.4 secs Computing kpt #: 20 total cpu time spent up to now is 181.2 secs Computing kpt #: 21 total cpu time spent up to now is 186.3 secs Computing kpt #: 22 total cpu time spent up to now is 191.0 secs Computing kpt #: 23 total cpu time spent up to now is 195.9 secs Computing kpt #: 24 total cpu time spent up to now is 200.7 secs Computing kpt #: 25 total cpu time spent up to now is 205.7 secs Computing kpt #: 26 total cpu time spent up to now is 210.5 secs Computing kpt #: 27 total cpu time spent up to now is 215.4 secs Computing kpt #: 28 total cpu time spent up to now is 220.2 secs Computing kpt #: 29 total cpu time spent up to now is 225.0 secs Computing kpt #: 30 total cpu time spent up to now is 229.9 secs Computing kpt #: 31 total cpu time spent up to now is 234.7 secs Computing kpt #: 32 total cpu time spent up to now is 239.6 secs Computing kpt #: 33 total cpu time spent up to now is 244.5 secs Computing kpt #: 34 total cpu time spent up to now is 249.5 secs Computing kpt #: 35 total cpu time spent up to now is 254.4 secs Computing kpt #: 36 total cpu time spent up to now is 259.3 secs Computing kpt #: 37 total cpu time spent up to now is 264.5 secs Computing kpt #: 38 total cpu time spent up to now is 269.5 secs Computing kpt #: 39 total cpu time spent up to now is 274.6 secs Computing kpt #: 40 total cpu time spent up to now is 279.5 secs Computing kpt #: 41 total cpu time spent up to now is 284.4 secs Computing kpt #: 42 total cpu time spent up to now is 289.4 secs Computing kpt #: 43 total cpu time spent up to now is 294.4 secs Computing kpt #: 44 total cpu time spent up to now is 299.1 secs Computing kpt #: 45 total cpu time spent up to now is 303.7 secs Computing kpt #: 46 total cpu time spent up to now is 308.4 secs Computing kpt #: 47 total cpu time spent up to now is 313.0 secs Computing kpt #: 48 total cpu time spent up to now is 317.6 secs Computing kpt #: 49 total cpu time spent up to now is 322.3 secs Computing kpt #: 50 total cpu time spent up to now is 328.7 secs Computing kpt #: 51 total cpu time spent up to now is 333.4 secs Computing kpt #: 52 total cpu time spent up to now is 337.9 secs Computing kpt #: 53 total cpu time spent up to now is 342.4 secs Computing kpt #: 54 total cpu time spent up to now is 346.9 secs Computing kpt #: 55 total cpu time spent up to now is 351.4 secs Computing kpt #: 56 total cpu time spent up to now is 356.0 secs Computing kpt #: 57 total cpu time spent up to now is 360.7 secs Computing kpt #: 58 total cpu time spent up to now is 365.6 secs Computing kpt #: 59 total cpu time spent up to now is 370.5 secs Computing kpt #: 60 total cpu time spent up to now is 375.4 secs Computing kpt #: 61 total cpu time spent up to now is 380.3 secs Computing kpt #: 62 total cpu time spent up to now is 385.3 secs Computing kpt #: 63 total cpu time spent up to now is 390.1 secs Computing kpt #: 64 total cpu time spent up to now is 394.8 secs Computing kpt #: 65 total cpu time spent up to now is 399.6 secs Computing kpt #: 66 total cpu time spent up to now is 404.1 secs Computing kpt #: 67 total cpu time spent up to now is 408.7 secs Computing kpt #: 68 total cpu time spent up to now is 413.3 secs Computing kpt #: 69 total cpu time spent up to now is 417.9 secs Computing kpt #: 70 total cpu time spent up to now is 422.5 secs Computing kpt #: 71 total cpu time spent up to now is 427.3 secs Computing kpt #: 72 total cpu time spent up to now is 432.0 secs Computing kpt #: 73 total cpu time spent up to now is 436.7 secs Computing kpt #: 74 total cpu time spent up to now is 441.5 secs Computing kpt #: 75 total cpu time spent up to now is 446.4 secs Computing kpt #: 76 total cpu time spent up to now is 451.5 secs Computing kpt #: 77 total cpu time spent up to now is 456.7 secs Computing kpt #: 78 total cpu time spent up to now is 461.8 secs Computing kpt #: 79 total cpu time spent up to now is 467.2 secs Computing kpt #: 80 total cpu time spent up to now is 472.7 secs Computing kpt #: 81 total cpu time spent up to now is 478.1 secs Computing kpt #: 82 total cpu time spent up to now is 483.4 secs Computing kpt #: 83 total cpu time spent up to now is 488.9 secs Computing kpt #: 84 total cpu time spent up to now is 494.1 secs Computing kpt #: 85 total cpu time spent up to now is 499.3 secs Computing kpt #: 86 total cpu time spent up to now is 504.4 secs Computing kpt #: 87 total cpu time spent up to now is 509.6 secs Computing kpt #: 88 total cpu time spent up to now is 514.7 secs Computing kpt #: 89 total cpu time spent up to now is 520.6 secs Computing kpt #: 90 total cpu time spent up to now is 527.9 secs Computing kpt #: 91 total cpu time spent up to now is 536.5 secs Computing kpt #: 92 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 546.9 secs Computing kpt #: 93 total cpu time spent up to now is 555.6 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 565.9 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 576.6 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 587.3 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 597.8 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 608.3 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 618.9 secs Computing kpt #: 100 total cpu time spent up to now is 630.1 secs Computing kpt #: 101 total cpu time spent up to now is 640.2 secs Computing kpt #: 102 total cpu time spent up to now is 649.5 secs Computing kpt #: 103 total cpu time spent up to now is 658.9 secs Computing kpt #: 104 total cpu time spent up to now is 668.4 secs Computing kpt #: 105 total cpu time spent up to now is 678.0 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 688.2 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 698.3 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 708.6 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 718.8 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 729.1 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 739.5 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 750.3 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 760.6 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 770.9 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 781.3 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 791.8 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 802.1 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 812.5 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 822.8 secs Computing kpt #: 120 total cpu time spent up to now is 830.2 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 840.6 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 851.0 secs Computing kpt #: 123 total cpu time spent up to now is 859.6 secs Computing kpt #: 124 total cpu time spent up to now is 865.5 secs Computing kpt #: 125 total cpu time spent up to now is 872.6 secs Computing kpt #: 126 total cpu time spent up to now is 877.8 secs Computing kpt #: 127 total cpu time spent up to now is 883.8 secs Computing kpt #: 128 total cpu time spent up to now is 889.6 secs Computing kpt #: 129 total cpu time spent up to now is 895.6 secs Computing kpt #: 130 total cpu time spent up to now is 900.5 secs Computing kpt #: 131 total cpu time spent up to now is 905.3 secs Computing kpt #: 132 total cpu time spent up to now is 910.3 secs Computing kpt #: 133 total cpu time spent up to now is 915.1 secs Computing kpt #: 134 total cpu time spent up to now is 920.1 secs Computing kpt #: 135 total cpu time spent up to now is 925.7 secs Computing kpt #: 136 total cpu time spent up to now is 931.7 secs Computing kpt #: 137 total cpu time spent up to now is 937.3 secs Computing kpt #: 138 total cpu time spent up to now is 946.6 secs Computing kpt #: 139 total cpu time spent up to now is 951.4 secs Computing kpt #: 140 total cpu time spent up to now is 956.1 secs Computing kpt #: 141 total cpu time spent up to now is 961.0 secs Computing kpt #: 142 total cpu time spent up to now is 966.8 secs Computing kpt #: 143 total cpu time spent up to now is 971.5 secs Computing kpt #: 144 total cpu time spent up to now is 976.3 secs Computing kpt #: 145 total cpu time spent up to now is 980.9 secs Computing kpt #: 146 total cpu time spent up to now is 985.6 secs Computing kpt #: 147 total cpu time spent up to now is 990.3 secs Computing kpt #: 148 total cpu time spent up to now is 994.9 secs Computing kpt #: 149 total cpu time spent up to now is 999.5 secs Computing kpt #: 150 total cpu time spent up to now is 1004.1 secs Computing kpt #: 151 total cpu time spent up to now is 1008.8 secs Computing kpt #: 152 total cpu time spent up to now is 1013.4 secs Computing kpt #: 153 total cpu time spent up to now is 1017.9 secs Computing kpt #: 154 total cpu time spent up to now is 1022.4 secs Computing kpt #: 155 total cpu time spent up to now is 1027.1 secs Computing kpt #: 156 total cpu time spent up to now is 1031.7 secs Computing kpt #: 157 total cpu time spent up to now is 1036.5 secs Computing kpt #: 158 total cpu time spent up to now is 1041.2 secs Computing kpt #: 159 total cpu time spent up to now is 1045.9 secs Computing kpt #: 160 total cpu time spent up to now is 1051.3 secs Computing kpt #: 161 total cpu time spent up to now is 1056.1 secs Computing kpt #: 162 total cpu time spent up to now is 1060.7 secs Computing kpt #: 163 total cpu time spent up to now is 1065.4 secs Computing kpt #: 164 total cpu time spent up to now is 1070.1 secs Computing kpt #: 165 total cpu time spent up to now is 1074.9 secs Computing kpt #: 166 total cpu time spent up to now is 1079.5 secs Computing kpt #: 167 total cpu time spent up to now is 1084.2 secs Computing kpt #: 168 total cpu time spent up to now is 1088.6 secs Computing kpt #: 169 total cpu time spent up to now is 1093.4 secs Computing kpt #: 170 total cpu time spent up to now is 1098.0 secs Computing kpt #: 171 total cpu time spent up to now is 1102.7 secs Computing kpt #: 172 total cpu time spent up to now is 1107.4 secs Computing kpt #: 173 total cpu time spent up to now is 1111.7 secs Computing kpt #: 174 total cpu time spent up to now is 1116.5 secs Computing kpt #: 175 total cpu time spent up to now is 1121.1 secs Computing kpt #: 176 total cpu time spent up to now is 1125.7 secs Computing kpt #: 177 total cpu time spent up to now is 1130.4 secs Computing kpt #: 178 total cpu time spent up to now is 1135.1 secs Computing kpt #: 179 total cpu time spent up to now is 1139.8 secs Computing kpt #: 180 total cpu time spent up to now is 1144.4 secs Computing kpt #: 181 total cpu time spent up to now is 1149.1 secs Computing kpt #: 182 total cpu time spent up to now is 1153.8 secs Computing kpt #: 183 total cpu time spent up to now is 1158.5 secs Computing kpt #: 184 total cpu time spent up to now is 1163.4 secs Computing kpt #: 185 total cpu time spent up to now is 1168.2 secs Computing kpt #: 186 total cpu time spent up to now is 1173.0 secs Computing kpt #: 187 total cpu time spent up to now is 1178.0 secs Computing kpt #: 188 total cpu time spent up to now is 1183.0 secs Computing kpt #: 189 total cpu time spent up to now is 1187.9 secs Computing kpt #: 190 total cpu time spent up to now is 1192.8 secs Computing kpt #: 191 total cpu time spent up to now is 1197.8 secs Computing kpt #: 192 total cpu time spent up to now is 1202.6 secs Computing kpt #: 193 total cpu time spent up to now is 1207.5 secs Computing kpt #: 194 total cpu time spent up to now is 1212.5 secs Computing kpt #: 195 total cpu time spent up to now is 1217.3 secs Computing kpt #: 196 total cpu time spent up to now is 1222.0 secs Computing kpt #: 197 total cpu time spent up to now is 1228.8 secs Computing kpt #: 198 total cpu time spent up to now is 1233.9 secs Computing kpt #: 199 total cpu time spent up to now is 1238.8 secs Computing kpt #: 200 total cpu time spent up to now is 1243.7 secs Computing kpt #: 201 total cpu time spent up to now is 1248.6 secs Computing kpt #: 202 total cpu time spent up to now is 1253.5 secs Computing kpt #: 203 total cpu time spent up to now is 1258.5 secs Computing kpt #: 204 total cpu time spent up to now is 1263.4 secs Computing kpt #: 205 total cpu time spent up to now is 1268.4 secs Computing kpt #: 206 total cpu time spent up to now is 1273.4 secs Computing kpt #: 207 total cpu time spent up to now is 1278.4 secs Computing kpt #: 208 total cpu time spent up to now is 1283.4 secs Computing kpt #: 209 total cpu time spent up to now is 1288.4 secs Computing kpt #: 210 total cpu time spent up to now is 1293.3 secs Computing kpt #: 211 total cpu time spent up to now is 1298.3 secs Computing kpt #: 212 total cpu time spent up to now is 1303.3 secs Computing kpt #: 213 total cpu time spent up to now is 1308.1 secs Computing kpt #: 214 total cpu time spent up to now is 1313.0 secs Computing kpt #: 215 total cpu time spent up to now is 1317.8 secs Computing kpt #: 216 total cpu time spent up to now is 1322.4 secs Computing kpt #: 217 total cpu time spent up to now is 1327.2 secs Computing kpt #: 218 total cpu time spent up to now is 1331.9 secs Computing kpt #: 219 total cpu time spent up to now is 1336.4 secs Computing kpt #: 220 total cpu time spent up to now is 1341.1 secs Computing kpt #: 221 total cpu time spent up to now is 1345.6 secs Computing kpt #: 222 total cpu time spent up to now is 1350.3 secs Computing kpt #: 223 total cpu time spent up to now is 1354.8 secs Computing kpt #: 224 total cpu time spent up to now is 1359.2 secs Computing kpt #: 225 total cpu time spent up to now is 1363.7 secs ethr = 1.43E-11, avg # of iterations = 45.1 total cpu time spent up to now is 1363.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9991 -25.9991 -25.9991 -25.9991 -7.1899 -7.1899 -6.1500 -6.1500 -6.0522 -6.0522 -6.0522 -6.0522 0.6815 0.6815 0.6815 0.6815 1.1402 1.1402 2.3035 2.3035 2.3035 2.3035 2.3625 2.3625 2.9667 2.9667 3.0046 3.0046 3.0046 3.0046 3.3247 3.3247 3.4575 3.4575 3.4575 3.4575 3.5733 3.5733 3.5733 3.5733 4.2149 4.2149 4.3856 4.3856 4.3856 4.3856 4.4947 4.4947 4.4947 4.4947 4.5144 4.5144 4.7711 4.7711 4.9437 4.9437 4.9437 4.9437 4.9563 4.9563 6.0073 6.0073 6.0073 6.0073 6.1139 6.1139 8.2049 8.2049 8.2194 8.2194 8.2194 8.2194 8.3214 8.3214 8.5650 8.5650 8.5650 8.5650 12.1363 12.1363 k = 0.0000 0.0172-0.0000 ( 6031 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9991 -25.9991 -25.9991 -25.9991 -7.1892 -7.1892 -6.1503 -6.1503 -6.0528 -6.0528 -6.0522 -6.0522 0.6819 0.6819 0.6831 0.6831 1.1412 1.1412 2.3027 2.3027 2.3039 2.3039 2.3622 2.3622 2.9659 2.9659 3.0031 3.0031 3.0047 3.0047 3.3235 3.3235 3.4540 3.4540 3.4581 3.4581 3.5738 3.5738 3.5770 3.5770 4.2145 4.2145 4.3776 4.3776 4.3929 4.3929 4.4896 4.4896 4.4995 4.4995 4.5142 4.5142 4.7714 4.7714 4.9402 4.9402 4.9469 4.9469 4.9562 4.9562 6.0051 6.0051 6.0066 6.0066 6.1124 6.1124 8.2008 8.2008 8.2148 8.2148 8.2229 8.2229 8.3342 8.3342 8.5603 8.5603 8.5716 8.5716 12.1364 12.1364 k = 0.0000 0.0345-0.0000 ( 6031 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9992 -25.9992 -25.9991 -25.9991 -7.1873 -7.1873 -6.1510 -6.1510 -6.0543 -6.0543 -6.0522 -6.0522 0.6838 0.6838 0.6870 0.6870 1.1439 1.1439 2.3001 2.3001 2.3048 2.3048 2.3615 2.3615 2.9637 2.9637 2.9996 2.9996 3.0041 3.0041 3.3197 3.3197 3.4461 3.4461 3.4584 3.4584 3.5755 3.5755 3.5872 3.5872 4.2134 4.2134 4.3691 4.3691 4.3990 4.3990 4.4845 4.4845 4.5039 4.5039 4.5138 4.5138 4.7724 4.7724 4.9366 4.9366 4.9498 4.9498 4.9564 4.9564 5.9987 5.9987 6.0045 6.0045 6.1082 6.1082 8.1846 8.1846 8.2176 8.2176 8.2281 8.2281 8.3656 8.3656 8.5570 8.5570 8.5802 8.5802 12.1366 12.1366 k = 0.0000 0.0517-0.0000 ( 6007 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9991 -25.9991 -25.9991 -25.9991 -7.1842 -7.1842 -6.1524 -6.1524 -6.0569 -6.0569 -6.0522 -6.0522 0.6871 0.6871 0.6933 0.6933 1.1485 1.1485 2.2954 2.2954 2.3065 2.3065 2.3607 2.3607 2.9594 2.9594 2.9944 2.9944 3.0030 3.0030 3.3130 3.3130 3.4357 3.4357 3.4587 3.4587 3.5782 3.5782 3.6018 3.6018 4.2115 4.2115 4.3604 4.3604 4.4036 4.4036 4.4796 4.4796 4.5074 4.5074 4.5141 4.5141 4.7741 4.7741 4.9327 4.9327 4.9514 4.9514 4.9577 4.9577 5.9880 5.9880 6.0010 6.0010 6.1014 6.1014 8.1648 8.1648 8.2257 8.2257 8.2363 8.2363 8.4072 8.4072 8.5551 8.5551 8.5913 8.5913 12.1365 12.1365 k = 0.0000 0.0690-0.0000 ( 5999 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9991 -25.9991 -25.9991 -25.9991 -7.1797 -7.1797 -6.1544 -6.1544 -6.0602 -6.0602 -6.0523 -6.0523 0.6917 0.6917 0.7022 0.7022 1.1549 1.1549 2.2881 2.2881 2.3087 2.3087 2.3603 2.3603 2.9522 2.9522 2.9886 2.9886 3.0014 3.0014 3.3028 3.3028 3.4249 3.4249 3.4592 3.4592 3.5818 3.5818 3.6190 3.6190 4.2088 4.2088 4.3516 4.3516 4.4058 4.4058 4.4752 4.4752 4.5082 4.5082 4.5166 4.5166 4.7761 4.7761 4.9286 4.9286 4.9510 4.9510 4.9608 4.9608 5.9730 5.9730 5.9962 5.9962 6.0927 6.0927 8.1456 8.1456 8.2371 8.2371 8.2475 8.2475 8.4554 8.4554 8.5546 8.5546 8.6053 8.6053 12.1308 12.1308 k = 0.0000 0.0862-0.0000 ( 5991 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9992 -25.9992 -25.9991 -25.9991 -7.1741 -7.1741 -6.1572 -6.1572 -6.0643 -6.0643 -6.0523 -6.0523 0.6975 0.6975 0.7134 0.7134 1.1632 1.1632 2.2780 2.2780 2.3116 2.3116 2.3606 2.3606 2.9413 2.9413 2.9830 2.9830 2.9995 2.9995 3.2889 3.2889 3.4150 3.4150 3.4599 3.4599 3.5862 3.5862 3.6380 3.6380 4.2053 4.2053 4.3430 4.3430 4.4053 4.4053 4.4717 4.4717 4.5072 4.5072 4.5208 4.5208 4.7785 4.7785 4.9242 4.9242 4.9498 4.9498 4.9649 4.9649 5.9538 5.9538 5.9902 5.9902 6.0823 6.0823 8.1280 8.1280 8.2512 8.2512 8.2618 8.2618 8.5072 8.5072 8.5560 8.5560 8.6230 8.6230 12.1055 12.1055 k = 0.0000 0.1034-0.0000 ( 5983 PWs) bands (ev): -61.7431 -61.7431 -34.6544 -34.6544 -25.9992 -25.9992 -25.9991 -25.9991 -7.1672 -7.1672 -6.1609 -6.1609 -6.0689 -6.0689 -6.0523 -6.0523 0.7046 0.7046 0.7271 0.7271 1.1732 1.1732 2.2650 2.2650 2.3150 2.3150 2.3618 2.3618 2.9266 2.9266 2.9781 2.9781 2.9971 2.9971 3.2710 3.2710 3.4067 3.4067 3.4607 3.4607 3.5912 3.5912 3.6582 3.6582 4.2011 4.2011 4.3347 4.3347 4.4018 4.4018 4.4696 4.4696 4.5058 4.5058 4.5253 4.5253 4.7810 4.7810 4.9195 4.9195 4.9480 4.9480 4.9695 4.9695 5.9306 5.9306 5.9832 5.9832 6.0707 6.0707 8.1121 8.1121 8.2673 8.2673 8.2792 8.2792 8.5473 8.5473 8.5716 8.5716 8.6470 8.6470 12.0715 12.0715 k = 0.0000 0.1207-0.0000 ( 5983 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9993 -25.9993 -25.9991 -25.9991 -7.1592 -7.1592 -6.1657 -6.1657 -6.0738 -6.0738 -6.0523 -6.0523 0.7129 0.7129 0.7431 0.7431 1.1852 1.1852 2.2491 2.2491 2.3190 2.3190 2.3639 2.3639 2.9085 2.9085 2.9738 2.9738 2.9943 2.9943 3.2493 3.2493 3.4000 3.4000 3.4616 3.4616 3.5968 3.5968 3.6791 3.6791 4.1961 4.1961 4.3268 4.3268 4.3954 4.3954 4.4684 4.4684 4.5041 4.5041 4.5299 4.5299 4.7836 4.7836 4.9147 4.9147 4.9459 4.9459 4.9745 4.9745 5.9039 5.9039 5.9753 5.9753 6.0583 6.0583 8.0979 8.0979 8.2849 8.2849 8.2996 8.2996 8.5545 8.5545 8.6152 8.6152 8.6841 8.6841 12.0339 12.0339 k = 0.0000 0.1379-0.0000 ( 5975 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9994 -25.9994 -25.9991 -25.9991 -7.1499 -7.1499 -6.1719 -6.1719 -6.0788 -6.0788 -6.0523 -6.0523 0.7223 0.7223 0.7613 0.7613 1.1990 1.1990 2.2305 2.2305 2.3236 2.3236 2.3669 2.3669 2.8875 2.8875 2.9697 2.9697 2.9912 2.9912 3.2241 3.2241 3.3946 3.3946 3.4627 3.4627 3.6027 3.6027 3.7008 3.7008 4.1904 4.1904 4.3193 4.3193 4.3869 4.3869 4.4678 4.4678 4.5025 4.5025 4.5344 4.5344 4.7862 4.7862 4.9097 4.9097 4.9437 4.9437 4.9798 4.9798 5.8742 5.8742 5.9666 5.9666 6.0452 6.0452 8.0850 8.0850 8.3035 8.3035 8.3227 8.3227 8.5585 8.5585 8.6503 8.6503 8.7406 8.7406 11.9943 11.9943 k = 0.0000 0.1552-0.0000 ( 5987 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9995 -25.9995 -25.9991 -25.9991 -7.1396 -7.1396 -6.1796 -6.1796 -6.0835 -6.0835 -6.0524 -6.0524 0.7328 0.7328 0.7818 0.7818 1.2146 1.2146 2.2093 2.2093 2.3286 2.3286 2.3706 2.3706 2.8641 2.8641 2.9657 2.9657 2.9878 2.9878 3.1960 3.1960 3.3903 3.3903 3.4639 3.4639 3.6089 3.6089 3.7230 3.7230 4.1841 4.1841 4.3123 4.3123 4.3768 4.3768 4.4672 4.4672 4.5008 4.5008 4.5384 4.5384 4.7888 4.7888 4.9047 4.9047 4.9415 4.9415 4.9853 4.9853 5.8420 5.8420 5.9572 5.9572 6.0316 6.0316 8.0733 8.0733 8.3226 8.3226 8.3480 8.3480 8.5634 8.5634 8.6787 8.6787 8.8104 8.8104 11.9538 11.9538 k = 0.0000 0.1724-0.0000 ( 5991 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9996 -25.9996 -25.9991 -25.9991 -7.1282 -7.1282 -6.1890 -6.1890 -6.0878 -6.0878 -6.0524 -6.0524 0.7444 0.7444 0.8043 0.8043 1.2321 1.2321 2.1858 2.1858 2.3341 2.3341 2.3749 2.3749 2.8387 2.8387 2.9616 2.9616 2.9841 2.9841 3.1651 3.1651 3.3868 3.3868 3.4652 3.4652 3.6153 3.6153 3.7458 3.7458 4.1774 4.1774 4.3057 4.3057 4.3657 4.3657 4.4661 4.4661 4.4993 4.4993 4.5420 4.5420 4.7914 4.7914 4.8998 4.8998 4.9395 4.9395 4.9910 4.9910 5.8079 5.8079 5.9474 5.9474 6.0176 6.0176 8.0625 8.0625 8.3417 8.3417 8.3752 8.3752 8.5698 8.5698 8.7053 8.7053 8.8873 8.8873 11.9132 11.9132 k = 0.0000 0.1897-0.0000 ( 5975 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9997 -25.9997 -25.9990 -25.9990 -7.1157 -7.1157 -6.2000 -6.2000 -6.0915 -6.0915 -6.0524 -6.0524 0.7568 0.7568 0.8287 0.8287 1.2515 1.2515 2.1602 2.1602 2.3399 2.3399 2.3798 2.3798 2.8116 2.8116 2.9576 2.9576 2.9803 2.9803 3.1318 3.1318 3.3838 3.3838 3.4668 3.4668 3.6218 3.6218 3.7689 3.7689 4.1703 4.1703 4.2994 4.2994 4.3541 4.3541 4.4645 4.4645 4.4980 4.4980 4.5448 4.5448 4.7941 4.7941 4.8952 4.8952 4.9378 4.9378 4.9968 4.9968 5.7725 5.7725 5.9372 5.9372 6.0034 6.0034 8.0526 8.0526 8.3605 8.3605 8.4038 8.4038 8.5779 8.5779 8.7318 8.7318 8.9690 8.9690 11.8731 11.8731 k = 0.0000 0.2069-0.0000 ( 5983 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9998 -25.9998 -25.9991 -25.9991 -7.1023 -7.1023 -6.2127 -6.2127 -6.0948 -6.0948 -6.0524 -6.0524 0.7700 0.7700 0.8551 0.8551 1.2726 1.2726 2.1326 2.1326 2.3461 2.3461 2.3850 2.3850 2.7833 2.7833 2.9534 2.9534 2.9762 2.9762 3.0963 3.0963 3.3812 3.3812 3.4684 3.4684 3.6282 3.6282 3.7924 3.7924 4.1631 4.1631 4.2935 4.2935 4.3421 4.3421 4.4620 4.4620 4.4968 4.4968 4.5464 4.5464 4.7968 4.7968 4.8908 4.8908 4.9365 4.9365 5.0026 5.0026 5.7361 5.7361 5.9268 5.9268 5.9892 5.9892 8.0433 8.0433 8.3782 8.3782 8.4333 8.4333 8.5880 8.5880 8.7586 8.7586 9.0541 9.0541 11.8341 11.8341 k = 0.0000 0.2241-0.0000 ( 5971 PWs) bands (ev): -61.7430 -61.7430 -34.6545 -34.6545 -25.9999 -25.9999 -25.9990 -25.9990 -7.0880 -7.0880 -6.2269 -6.2269 -6.0974 -6.0974 -6.0525 -6.0525 0.7840 0.7840 0.8831 0.8831 1.2956 1.2956 2.1032 2.1032 2.3525 2.3525 2.3906 2.3906 2.7539 2.7539 2.9491 2.9491 2.9719 2.9719 3.0588 3.0588 3.3788 3.3788 3.4701 3.4701 3.6346 3.6346 3.8163 3.8163 4.1558 4.1558 4.2878 4.2878 4.3303 4.3303 4.4588 4.4588 4.4957 4.4957 4.5470 4.5470 4.7996 4.7996 4.8868 4.8868 4.9361 4.9361 5.0084 5.0084 5.6993 5.6993 5.9164 5.9164 5.9750 5.9750 8.0345 8.0345 8.3946 8.3946 8.4635 8.4635 8.6002 8.6002 8.7857 8.7857 9.1419 9.1419 11.7966 11.7966 k = 0.0000 0.2414-0.0000 ( 5995 PWs) bands (ev): -61.7431 -61.7431 -34.6546 -34.6546 -26.0000 -26.0000 -25.9991 -25.9991 -7.0728 -7.0728 -6.2424 -6.2424 -6.0996 -6.0996 -6.0525 -6.0525 0.7986 0.7986 0.9127 0.9127 1.3203 1.3203 2.0723 2.0723 2.3591 2.3591 2.3963 2.3963 2.7239 2.7239 2.9447 2.9447 2.9674 2.9674 3.0197 3.0197 3.3766 3.3766 3.4719 3.4719 3.6407 3.6407 3.8403 3.8403 4.1485 4.1485 4.2822 4.2822 4.3186 4.3186 4.4547 4.4547 4.4946 4.4946 4.5461 4.5461 4.8023 4.8023 4.8830 4.8830 4.9365 4.9365 5.0140 5.0140 5.6624 5.6624 5.9060 5.9060 5.9609 5.9609 8.0262 8.0262 8.4093 8.4093 8.4939 8.4939 8.6144 8.6144 8.8129 8.8129 9.2317 9.2317 11.7610 11.7610 k = 0.0000 0.2586-0.0000 ( 5995 PWs) bands (ev): -61.7431 -61.7431 -34.6546 -34.6546 -26.0001 -26.0001 -25.9991 -25.9991 -7.0569 -7.0569 -6.2591 -6.2591 -6.1014 -6.1014 -6.0525 -6.0525 0.8137 0.8137 0.9438 0.9438 1.3467 1.3467 2.0400 2.0400 2.3659 2.3659 2.4022 2.4022 2.6936 2.6936 2.9401 2.9401 2.9615 2.9615 2.9804 2.9804 3.3745 3.3745 3.4737 3.4737 3.6467 3.6467 3.8646 3.8646 4.1415 4.1415 4.2767 4.2767 4.3073 4.3073 4.4499 4.4499 4.4935 4.4935 4.5438 4.5438 4.8050 4.8050 4.8796 4.8796 4.9381 4.9381 5.0195 5.0195 5.6258 5.6258 5.8958 5.8958 5.9473 5.9473 8.0183 8.0183 8.4222 8.4222 8.5241 8.5241 8.6305 8.6305 8.8400 8.8400 9.3229 9.3229 11.7273 11.7273 k = 0.0000 0.2759-0.0000 ( 5982 PWs) bands (ev): -61.7431 -61.7431 -34.6546 -34.6546 -26.0002 -26.0002 -25.9991 -25.9991 -7.0403 -7.0403 -6.2768 -6.2768 -6.1028 -6.1028 -6.0526 -6.0526 0.8290 0.8290 0.9763 0.9763 1.3746 1.3746 2.0066 2.0066 2.3728 2.3728 2.4083 2.4083 2.6633 2.6633 2.9295 2.9295 2.9402 2.9402 2.9611 2.9611 3.3726 3.3726 3.4756 3.4756 3.6524 3.6524 3.8891 3.8891 4.1348 4.1348 4.2712 4.2712 4.2967 4.2967 4.4446 4.4446 4.4924 4.4924 4.5400 4.5400 4.8076 4.8076 4.8765 4.8765 4.9412 4.9412 5.0248 5.0248 5.5897 5.5897 5.8859 5.8859 5.9340 5.9340 8.0108 8.0108 8.4334 8.4334 8.5539 8.5539 8.6480 8.6480 8.8667 8.8667 9.4148 9.4148 11.6959 11.6959 k = 0.0000 0.2931-0.0000 ( 5982 PWs) bands (ev): -61.7431 -61.7431 -34.6546 -34.6546 -26.0003 -26.0003 -25.9991 -25.9991 -7.0232 -7.0232 -6.2953 -6.2953 -6.1040 -6.1040 -6.0526 -6.0526 0.8445 0.8445 1.0098 1.0098 1.4039 1.4039 1.9721 1.9721 2.3797 2.3797 2.4143 2.4143 2.6332 2.6332 2.8896 2.8896 2.9331 2.9331 2.9560 2.9560 3.3708 3.3708 3.4776 3.4776 3.6579 3.6579 3.9136 3.9136 4.1285 4.1285 4.2655 4.2655 4.2866 4.2866 4.4387 4.4387 4.4913 4.4913 4.5348 4.5348 4.8101 4.8101 4.8737 4.8737 4.9457 4.9457 5.0299 5.0299 5.5544 5.5544 5.8763 5.8763 5.9214 5.9214 8.0037 8.0037 8.4430 8.4430 8.5828 8.5828 8.6664 8.6664 8.8927 8.8927 9.5069 9.5069 11.6668 11.6668 k = 0.0000 0.3103-0.0000 ( 5982 PWs) bands (ev): -61.7431 -61.7431 -34.6546 -34.6546 -26.0004 -26.0004 -25.9991 -25.9991 -7.0057 -7.0057 -6.3143 -6.3143 -6.1049 -6.1049 -6.0526 -6.0526 0.8600 0.8600 1.0445 1.0445 1.4343 1.4343 1.9369 1.9369 2.3864 2.3864 2.4202 2.4202 2.6038 2.6038 2.8454 2.8454 2.9287 2.9287 2.9517 2.9517 3.3690 3.3690 3.4795 3.4795 3.6630 3.6630 3.9381 3.9381 4.1225 4.1225 4.2595 4.2595 4.2776 4.2776 4.4324 4.4324 4.4902 4.4902 4.5281 4.5281 4.8124 4.8124 4.8710 4.8710 4.9518 4.9518 5.0349 5.0349 5.5200 5.5200 5.8672 5.8672 5.9094 5.9094 7.9970 7.9970 8.4514 8.4514 8.6106 8.6106 8.6852 8.6852 8.9178 8.9178 9.5985 9.5985 11.6401 11.6401 k = 0.0000 0.3276-0.0000 ( 5974 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -26.0005 -26.0005 -25.9991 -25.9991 -6.9880 -6.9880 -6.3336 -6.3336 -6.1057 -6.1057 -6.0527 -6.0527 0.8752 0.8752 1.0800 1.0800 1.4655 1.4655 1.9013 1.9013 2.3930 2.3930 2.4259 2.4259 2.5754 2.5754 2.8005 2.8005 2.9247 2.9247 2.9476 2.9476 3.3674 3.3674 3.4814 3.4814 3.6678 3.6678 3.9626 3.9626 4.1171 4.1171 4.2532 4.2532 4.2695 4.2695 4.4258 4.4258 4.4891 4.4891 4.5203 4.5203 4.8144 4.8144 4.8685 4.8685 4.9593 4.9593 5.0397 5.0397 5.4868 5.4868 5.8587 5.8587 5.8982 5.8982 7.9906 7.9906 8.4586 8.4586 8.6370 8.6370 8.7039 8.7039 8.9417 8.9417 9.6887 9.6887 11.6159 11.6159 k = 0.0000 0.3448-0.0000 ( 5958 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -26.0006 -26.0006 -25.9990 -25.9990 -6.9702 -6.9702 -6.3530 -6.3530 -6.1063 -6.1063 -6.0527 -6.0527 0.8900 0.8900 1.1163 1.1163 1.4968 1.4968 1.8655 1.8655 2.3992 2.3992 2.4312 2.4312 2.5484 2.5484 2.7555 2.7555 2.9209 2.9209 2.9438 2.9438 3.3658 3.3658 3.4832 3.4832 3.6721 3.6721 3.9868 3.9868 4.1123 4.1123 4.2465 4.2465 4.2627 4.2627 4.4191 4.4191 4.4880 4.4880 4.5114 4.5114 4.8162 4.8162 4.8662 4.8662 4.9681 4.9681 5.0445 5.0445 5.4549 5.4549 5.8507 5.8507 5.8878 5.8878 7.9848 7.9848 8.4649 8.4649 8.6617 8.6617 8.7220 8.7220 8.9641 8.9641 9.7766 9.7766 11.5940 11.5940 k = 0.0000 0.3621-0.0000 ( 5966 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -26.0007 -26.0007 -25.9990 -25.9990 -6.9526 -6.9526 -6.3721 -6.3721 -6.1067 -6.1067 -6.0527 -6.0527 0.9042 0.9042 1.1531 1.1531 1.5275 1.5275 1.8303 1.8303 2.4051 2.4051 2.4362 2.4362 2.5230 2.5230 2.7110 2.7110 2.9173 2.9173 2.9402 2.9402 3.3644 3.3644 3.4850 3.4850 3.6761 3.6761 4.0106 4.0106 4.1080 4.1080 4.2395 4.2395 4.2568 4.2568 4.4123 4.4123 4.4869 4.4869 4.5018 4.5018 4.8177 4.8177 4.8640 4.8640 4.9777 4.9777 5.0493 5.0493 5.4245 5.4245 5.8433 5.8433 5.8784 5.8784 7.9793 7.9793 8.4704 8.4704 8.6844 8.6844 8.7391 8.7391 8.9848 8.9848 9.8614 9.8614 11.5745 11.5745 k = 0.0000 0.3793-0.0000 ( 5970 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -26.0008 -26.0008 -25.9990 -25.9990 -6.9354 -6.9354 -6.3908 -6.3908 -6.1071 -6.1071 -6.0528 -6.0528 0.9174 0.9174 1.1904 1.1904 1.5562 1.5562 1.7966 1.7966 2.4106 2.4106 2.4406 2.4406 2.4995 2.4995 2.6678 2.6678 2.9141 2.9141 2.9370 2.9370 3.3631 3.3631 3.4866 3.4866 3.6797 3.6797 4.0336 4.0336 4.1044 4.1044 4.2324 4.2324 4.2518 4.2518 4.4056 4.4056 4.4854 4.4854 4.4922 4.4922 4.8191 4.8191 4.8620 4.8620 4.9877 4.9877 5.0542 5.0542 5.3958 5.3958 5.8367 5.8367 5.8700 5.8700 7.9744 7.9744 8.4752 8.4752 8.7051 8.7051 8.7548 8.7548 9.0036 9.0036 9.9419 9.9419 11.5574 11.5574 k = 0.0000 0.3966-0.0000 ( 5970 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -26.0008 -26.0008 -25.9990 -25.9990 -6.9191 -6.9191 -6.4084 -6.4084 -6.1074 -6.1074 -6.0528 -6.0528 0.9295 0.9295 1.2280 1.2280 1.5803 1.5803 1.7664 1.7664 2.4155 2.4155 2.4443 2.4443 2.4785 2.4785 2.6268 2.6268 2.9112 2.9112 2.9341 2.9341 3.3619 3.3619 3.4881 3.4881 3.6828 3.6828 4.0555 4.0555 4.1018 4.1018 4.2252 4.2252 4.2475 4.2475 4.3989 4.3989 4.4800 4.4800 4.4865 4.4865 4.8203 4.8203 4.8602 4.8602 4.9977 4.9977 5.0594 5.0594 5.3690 5.3690 5.8309 5.8309 5.8626 5.8626 7.9701 7.9701 8.4793 8.4793 8.7233 8.7233 8.7688 8.7688 9.0203 9.0203 10.0167 10.0167 11.5425 11.5425 k = 0.0000 0.4138-0.0000 ( 5970 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -26.0009 -26.0009 -25.9990 -25.9990 -6.9039 -6.9039 -6.4248 -6.4248 -6.1077 -6.1077 -6.0528 -6.0528 0.9402 0.9402 1.2656 1.2656 1.5951 1.5951 1.7439 1.7439 2.4197 2.4197 2.4471 2.4471 2.4603 2.4603 2.5889 2.5889 2.9086 2.9086 2.9315 2.9315 3.3608 3.3608 3.4894 3.4894 3.6855 3.6855 4.0747 4.0747 4.1013 4.1013 4.2181 4.2181 4.2438 4.2438 4.3925 4.3925 4.4708 4.4708 4.4851 4.4851 4.8213 4.8213 4.8587 4.8587 5.0070 5.0070 5.0652 5.0652 5.3444 5.3444 5.8259 5.8259 5.8564 5.8564 7.9663 7.9663 8.4828 8.4828 8.7391 8.7391 8.7811 8.7811 9.0347 9.0347 10.0845 10.0845 11.5298 11.5298 k = 0.0000 0.4310-0.0000 ( 5966 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -26.0009 -26.0009 -25.9990 -25.9990 -6.8904 -6.8904 -6.4393 -6.4393 -6.1079 -6.1079 -6.0528 -6.0528 0.9493 0.9493 1.3030 1.3030 1.5946 1.5946 1.7343 1.7343 2.4230 2.4230 2.4440 2.4440 2.4500 2.4500 2.5557 2.5557 2.9065 2.9065 2.9294 2.9294 3.3600 3.3600 3.4905 3.4905 3.6877 3.6877 4.0862 4.0862 4.1080 4.1080 4.2109 4.2109 4.2408 4.2408 4.3865 4.3865 4.4621 4.4621 4.4844 4.4844 4.8222 4.8222 4.8574 4.8574 5.0150 5.0150 5.0716 5.0716 5.3225 5.3225 5.8217 5.8217 5.8512 5.8512 7.9632 7.9632 8.4857 8.4857 8.7522 8.7522 8.7913 8.7913 9.0466 9.0466 10.1435 10.1435 11.5193 11.5193 k = 0.0000 0.4483-0.0000 ( 5974 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0010 -26.0010 -25.9990 -25.9990 -6.8791 -6.8791 -6.4514 -6.4514 -6.1080 -6.1080 -6.0528 -6.0528 0.9567 0.9567 1.3396 1.3396 1.5784 1.5784 1.7372 1.7372 2.4244 2.4244 2.4336 2.4336 2.4498 2.4498 2.5287 2.5287 2.9048 2.9048 2.9277 2.9277 3.3593 3.3593 3.4914 3.4914 3.6894 3.6894 4.0884 4.0884 4.1228 4.1228 4.2034 4.2034 4.2384 4.2384 4.3811 4.3811 4.4547 4.4547 4.4838 4.4838 4.8228 4.8228 4.8563 4.8563 5.0212 5.0212 5.0782 5.0782 5.3037 5.3037 5.8184 5.8184 5.8472 5.8472 7.9607 7.9607 8.4879 8.4879 8.7626 8.7626 8.7993 8.7993 9.0561 9.0561 10.1921 10.1921 11.5109 11.5109 k = 0.0000 0.4655-0.0000 ( 5950 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -26.0010 -26.0010 -25.9990 -25.9990 -6.8705 -6.8705 -6.4606 -6.4606 -6.1081 -6.1081 -6.0528 -6.0528 0.9620 0.9620 1.3740 1.3740 1.5537 1.5537 1.7456 1.7456 2.4205 2.4205 2.4307 2.4307 2.4484 2.4484 2.5096 2.5096 2.9036 2.9036 2.9265 2.9265 3.3588 3.3588 3.4921 3.4921 3.6906 3.6906 4.0883 4.0883 4.1383 4.1383 4.1956 4.1956 4.2369 4.2369 4.3769 4.3769 4.4493 4.4493 4.4834 4.4834 4.8234 4.8234 4.8556 4.8556 5.0255 5.0255 5.0844 5.0844 5.2891 5.2891 5.8160 5.8160 5.8443 5.8443 7.9589 7.9589 8.4896 8.4896 8.7701 8.7701 8.8051 8.8051 9.0629 9.0629 10.2283 10.2283 11.5048 11.5048 k = 0.0000 0.4828-0.0000 ( 5942 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -26.0010 -26.0010 -25.9990 -25.9990 -6.8652 -6.8652 -6.4663 -6.4663 -6.1081 -6.1081 -6.0528 -6.0528 0.9653 0.9653 1.4027 1.4027 1.5293 1.5293 1.7527 1.7527 2.4159 2.4159 2.4312 2.4312 2.4462 2.4462 2.4988 2.4988 2.9029 2.9029 2.9258 2.9258 3.3585 3.3585 3.4925 3.4925 3.6915 3.6915 4.0878 4.0878 4.1511 4.1511 4.1879 4.1879 4.2359 4.2359 4.3741 4.3741 4.4458 4.4458 4.4833 4.4833 4.8237 4.8237 4.8552 4.8552 5.0280 5.0280 5.0889 5.0889 5.2797 5.2797 5.8146 5.8146 5.8425 5.8425 7.9579 7.9579 8.4905 8.4905 8.7746 8.7746 8.8086 8.8086 9.0670 9.0670 10.2508 10.2508 11.5011 11.5011 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -26.0010 -26.0010 -25.9990 -25.9990 -6.8633 -6.8633 -6.4683 -6.4683 -6.1081 -6.1081 -6.0528 -6.0528 0.9664 0.9664 1.4156 1.4156 1.5177 1.5177 1.7554 1.7554 2.4142 2.4142 2.4315 2.4315 2.4451 2.4451 2.4955 2.4955 2.9027 2.9027 2.9255 2.9255 3.3584 3.3584 3.4926 3.4926 3.6917 3.6917 4.0877 4.0877 4.1571 4.1571 4.1838 4.1838 4.2355 4.2355 4.3731 4.3731 4.4447 4.4447 4.4832 4.4832 4.8238 4.8238 4.8551 4.8551 5.0289 5.0289 5.0905 5.0905 5.2764 5.2764 5.8141 5.8141 5.8420 5.8420 7.9575 7.9575 8.4908 8.4908 8.7761 8.7761 8.8098 8.8098 9.0684 9.0684 10.2584 10.2584 11.4998 11.4998 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -26.0010 -26.0010 -25.9990 -25.9990 -6.8633 -6.8633 -6.4683 -6.4683 -6.1081 -6.1081 -6.0528 -6.0528 0.9664 0.9664 1.4156 1.4156 1.5177 1.5177 1.7554 1.7554 2.4142 2.4142 2.4315 2.4315 2.4451 2.4451 2.4955 2.4955 2.9027 2.9027 2.9255 2.9255 3.3584 3.3584 3.4926 3.4926 3.6917 3.6917 4.0877 4.0877 4.1571 4.1571 4.1838 4.1838 4.2355 4.2355 4.3731 4.3731 4.4447 4.4447 4.4832 4.4832 4.8238 4.8238 4.8551 4.8551 5.0289 5.0289 5.0905 5.0905 5.2764 5.2764 5.8141 5.8141 5.8420 5.8420 7.9575 7.9575 8.4908 8.4908 8.7761 8.7761 8.8098 8.8098 9.0684 9.0684 10.2584 10.2584 11.4998 11.4998 k = 0.0172 0.5000-0.0000 ( 5942 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -26.0010 -26.0010 -25.9990 -25.9990 -6.8628 -6.8628 -6.4692 -6.4669 -6.1099 -6.1071 -6.0533 -6.0532 0.9666 0.9678 1.4154 1.4161 1.5173 1.5178 1.7545 1.7567 2.4136 2.4144 2.4308 2.4321 2.4432 2.4468 2.4922 2.4989 2.9022 2.9023 2.9250 2.9254 3.3527 3.3619 3.4902 3.4924 3.6921 3.6928 4.0867 4.0877 4.1561 4.1570 4.1765 4.1901 4.2273 4.2475 4.3720 4.3739 4.4420 4.4475 4.4766 4.4937 4.8180 4.8259 4.8457 4.8636 5.0224 5.0376 5.0883 5.0944 5.2716 5.2824 5.8098 5.8164 5.8400 5.8420 7.9549 7.9629 8.4882 8.4965 8.7665 8.7845 8.8054 8.8124 9.0580 9.0808 10.2595 10.2601 11.4994 11.5024 k = 0.0345 0.5000-0.0000 ( 5960 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0010 -26.0010 -25.9990 -25.9990 -6.8613 -6.8612 -6.4696 -6.4651 -6.1124 -6.1068 -6.0544 -6.0543 0.9683 0.9706 1.4155 1.4168 1.5165 1.5176 1.7540 1.7582 2.4123 2.4145 2.4299 2.4323 2.4414 2.4483 2.4892 2.5024 2.9010 2.9010 2.9237 2.9246 3.3448 3.3631 3.4852 3.4893 3.6939 3.6953 4.0847 4.0867 4.1537 4.1560 4.1705 4.1923 4.2254 4.2612 4.3712 4.3742 4.4403 4.4478 4.4766 4.5066 4.8065 4.8256 4.8388 4.8683 5.0193 5.0463 5.0881 5.1003 5.2678 5.2896 5.8037 5.8168 5.8362 5.8402 7.9551 7.9712 8.4883 8.5052 8.7566 8.7888 8.8018 8.8128 9.0498 9.0947 10.2634 10.2646 11.5010 11.5071 k = 0.0517 0.5000-0.0000 ( 5970 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0010 -26.0010 -25.9991 -25.9991 -6.8588 -6.8587 -6.4695 -6.4627 -6.1155 -6.1073 -6.0562 -6.0561 0.9715 0.9750 1.4158 1.4177 1.5156 1.5172 1.7539 1.7602 2.4102 2.4145 2.4288 2.4321 2.4399 2.4496 2.4864 2.5059 2.8986 2.8990 2.9217 2.9235 3.3347 3.3622 3.4779 3.4835 3.6970 3.6991 4.0818 4.0849 4.1496 4.1539 4.1673 4.1906 4.2292 4.2755 4.3715 4.3743 4.4398 4.4445 4.4839 4.5216 4.7903 4.8232 4.8349 4.8687 5.0189 5.0527 5.0910 5.1092 5.2652 5.2981 5.7960 5.8151 5.8305 5.8368 7.9582 7.9822 8.4908 8.5167 8.7473 8.7841 8.8038 8.8109 9.0440 9.1099 10.2701 10.2718 11.5046 11.5138 k = 0.0690 0.5000-0.0000 ( 5976 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0011 -26.0011 -25.9991 -25.9991 -6.8552 -6.8551 -6.4689 -6.4599 -6.1193 -6.1086 -6.0587 -6.0587 0.9762 0.9808 1.4164 1.4189 1.5143 1.5165 1.7543 1.7626 2.4070 2.4145 2.4273 2.4315 2.4392 2.4509 2.4840 2.5094 2.8948 2.8962 2.9191 2.9223 3.3225 3.3592 3.4684 3.4750 3.7013 3.7041 4.0782 4.0824 4.1450 4.1511 4.1662 4.1879 4.2351 4.2892 4.3735 4.3751 4.4400 4.4404 4.4958 4.5382 4.7720 4.8183 4.8323 4.8659 5.0187 5.0558 5.0984 5.1212 5.2637 5.3079 5.7868 5.8116 5.8229 5.8318 7.9641 7.9958 8.4952 8.5308 8.7391 8.7747 8.8071 8.8072 9.0409 9.1261 10.2795 10.2817 11.5097 11.5221 k = 0.0862 0.5000-0.0000 ( 5972 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0011 -26.0011 -25.9992 -25.9991 -6.8507 -6.8505 -6.4679 -6.4566 -6.1238 -6.1107 -6.0620 -6.0618 0.9822 0.9880 1.4171 1.4203 1.5128 1.5156 1.7552 1.7655 2.4027 2.4146 2.4253 2.4302 2.4394 2.4522 2.4820 2.5130 2.8896 2.8922 2.9162 2.9210 3.3084 3.3543 3.4571 3.4641 3.7066 3.7100 4.0742 4.0794 4.1407 4.1481 4.1665 4.1860 4.2407 4.3008 4.3768 4.3777 4.4358 4.4422 4.5104 4.5563 4.7528 4.8104 4.8303 4.8622 5.0166 5.0556 5.1107 5.1352 5.2637 5.3191 5.7764 5.8063 5.8138 5.8254 7.9727 8.0119 8.5007 8.5469 8.7328 8.7643 8.8016 8.8090 9.0404 9.1428 10.2917 10.2944 11.5161 11.5316 k = 0.1034 0.5000-0.0000 ( 5972 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0011 -26.0011 -25.9992 -25.9992 -6.8452 -6.8449 -6.4663 -6.4529 -6.1290 -6.1137 -6.0660 -6.0655 0.9895 0.9965 1.4180 1.4219 1.5111 1.5145 1.7566 1.7688 2.3976 2.4146 2.4229 2.4284 2.4405 2.4537 2.4806 2.5165 2.8829 2.8869 2.9132 2.9199 3.2926 3.3477 3.4441 3.4509 3.7128 3.7166 4.0703 4.0761 4.1373 4.1455 4.1674 4.1848 4.2452 4.3091 4.3809 4.3824 4.4331 4.4455 4.5266 4.5756 4.7334 4.7996 4.8286 4.8588 5.0120 5.0529 5.1262 5.1499 5.2657 5.3315 5.7651 5.7997 5.8032 5.8177 7.9840 8.0304 8.5064 8.5642 8.7290 8.7539 8.7951 8.8089 9.0425 9.1598 10.3066 10.3097 11.5230 11.5417 k = 0.1207 0.5000-0.0000 ( 5972 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0011 -26.0011 -25.9992 -25.9992 -6.8387 -6.8384 -6.4643 -6.4488 -6.1348 -6.1176 -6.0707 -6.0696 0.9979 1.0061 1.4190 1.4236 1.5092 1.5131 1.7587 1.7727 2.3918 2.4147 2.4201 2.4260 2.4423 2.4553 2.4797 2.5200 2.8748 2.8801 2.9103 2.9187 3.2751 3.3393 3.4297 3.4356 3.7195 3.7239 4.0667 4.0728 4.1349 4.1436 4.1689 4.1842 4.2485 4.3138 4.3846 4.3882 4.4333 4.4509 4.5436 4.5958 4.7145 4.7866 4.8272 4.8561 5.0054 5.0482 5.1420 5.1641 5.2707 5.3452 5.7535 5.7914 5.7923 5.8087 7.9978 8.0510 8.5112 8.5813 8.7277 8.7448 8.7888 8.8072 9.0469 9.1768 10.3241 10.3277 11.5300 11.5517 k = 0.1379 0.5000-0.0000 ( 5980 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0011 -26.0011 -25.9993 -25.9993 -6.8314 -6.8310 -6.4619 -6.4443 -6.1412 -6.1224 -6.0760 -6.0742 1.0074 1.0167 1.4202 1.4255 1.5071 1.5117 1.7615 1.7773 2.3856 2.4147 2.4170 2.4233 2.4445 2.4572 2.4793 2.5235 2.8654 2.8717 2.9077 2.9176 3.2563 3.3295 3.4141 3.4183 3.7267 3.7315 4.0637 4.0698 4.1334 4.1426 4.1707 4.1839 4.2510 4.3155 4.3871 4.3917 4.4390 4.4583 4.5609 4.6163 4.6965 4.7724 4.8261 4.8541 4.9972 5.0419 5.1553 5.1769 5.2801 5.3596 5.7419 5.7789 5.7843 5.7986 8.0140 8.0736 8.5144 8.5964 8.7281 8.7384 8.7845 8.8048 9.0533 9.1935 10.3443 10.3482 11.5362 11.5608 k = 0.1552 0.5000-0.0000 ( 5972 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0012 -26.0012 -25.9994 -25.9994 -6.8231 -6.8227 -6.4590 -6.4393 -6.1483 -6.1281 -6.0819 -6.0791 1.0177 1.0281 1.4215 1.4274 1.5048 1.5100 1.7653 1.7827 2.3793 2.4137 2.4147 2.4204 2.4472 2.4593 2.4796 2.5270 2.8546 2.8617 2.9054 2.9165 3.2364 3.3183 3.3973 3.3994 3.7342 3.7393 4.0614 4.0673 4.1329 4.1425 4.1727 4.1837 4.2530 4.3154 4.3882 4.3914 4.4506 4.4673 4.5778 4.6363 4.6804 4.7581 4.8254 4.8525 4.9881 5.0342 5.1640 5.1877 5.2947 5.3745 5.7307 5.7663 5.7759 5.7879 8.0324 8.0977 8.5155 8.6072 8.7277 8.7357 8.7856 8.8035 9.0613 9.2097 10.3671 10.3712 11.5410 11.5678 k = 0.1724 0.5000-0.0000 ( 5974 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0012 -26.0012 -25.9994 -25.9994 -6.8140 -6.8136 -6.4557 -6.4340 -6.1560 -6.1349 -6.0884 -6.0843 1.0288 1.0402 1.4228 1.4294 1.5024 1.5082 1.7702 1.7890 2.3730 2.4105 2.4146 2.4175 2.4502 2.4615 2.4804 2.5305 2.8427 2.8502 2.9033 2.9153 3.2156 3.3058 3.3791 3.3796 3.7418 3.7471 4.0600 4.0656 4.1333 4.1433 4.1748 4.1837 4.2547 4.3142 4.3877 4.3885 4.4659 4.4770 4.5933 4.6498 4.6723 4.7448 4.8252 4.8512 4.9784 5.0254 5.1673 5.1960 5.3139 5.3889 5.7196 5.7551 5.7660 5.7786 8.0528 8.1233 8.5144 8.6122 8.7239 8.7357 8.7945 8.8059 9.0704 9.2251 10.3924 10.3967 11.5435 11.5719 k = 0.1897 0.5000-0.0000 ( 5980 PWs) bands (ev): -61.7430 -61.7430 -34.6548 -34.6548 -26.0012 -26.0012 -25.9995 -25.9995 -6.8041 -6.8036 -6.4520 -6.4284 -6.1643 -6.1425 -6.0954 -6.0898 1.0403 1.0528 1.4241 1.4314 1.4999 1.5063 1.7763 1.7963 2.3669 2.4073 2.4142 2.4148 2.4534 2.4639 2.4817 2.5341 2.8295 2.8373 2.9014 2.9141 3.1942 3.2923 3.3575 3.3610 3.7493 3.7548 4.0595 4.0649 4.1346 4.1448 4.1769 4.1838 4.2564 4.3125 4.3842 4.3861 4.4832 4.4861 4.6062 4.6442 4.6853 4.7340 4.8255 4.8501 4.9683 5.0157 5.1659 5.2015 5.3362 5.4022 5.7075 5.7474 5.7531 5.7728 8.0750 8.1498 8.5116 8.6117 8.7169 8.7354 8.8110 8.8152 9.0803 9.2395 10.4201 10.4246 11.5429 11.5721 k = 0.2069 0.5000-0.0000 ( 5978 PWs) bands (ev): -61.7430 -61.7430 -34.6548 -34.6548 -26.0013 -26.0013 -25.9996 -25.9996 -6.7934 -6.7929 -6.4479 -6.4225 -6.1732 -6.1510 -6.1027 -6.0956 1.0523 1.0657 1.4253 1.4334 1.4972 1.5042 1.7837 1.8047 2.3613 2.4044 2.4118 2.4143 2.4567 2.4664 2.4834 2.5378 2.8152 2.8230 2.8997 2.9129 3.1724 3.2777 3.3348 3.3416 3.7568 3.7624 4.0599 4.0652 4.1367 4.1470 4.1791 4.1840 4.2581 4.3107 4.3794 4.3837 4.4932 4.5013 4.6145 4.6352 4.7043 4.7275 4.8266 4.8492 4.9581 5.0052 5.1607 5.2038 5.3597 5.4137 5.6933 5.7379 5.7453 5.7706 8.0988 8.1768 8.5074 8.6075 8.7082 8.7324 8.8324 8.8329 9.0909 9.2529 10.4501 10.4547 11.5387 11.5676 k = 0.2241 0.5000-0.0000 ( 5986 PWs) bands (ev): -61.7430 -61.7430 -34.6548 -34.6548 -26.0013 -26.0013 -25.9996 -25.9996 -6.7820 -6.7815 -6.4434 -6.4163 -6.1827 -6.1604 -6.1105 -6.1016 1.0644 1.0787 1.4265 1.4353 1.4943 1.5018 1.7928 1.8146 2.3562 2.4019 2.4094 2.4139 2.4602 2.4690 2.4856 2.5414 2.7998 2.8074 2.8981 2.9116 3.1506 3.2623 3.3114 3.3215 3.7641 3.7696 4.0611 4.0665 4.1396 4.1497 4.1811 4.1842 4.2599 4.3088 4.3744 4.3807 4.4968 4.5195 4.6164 4.6294 4.7231 4.7270 4.8287 4.8486 4.9479 4.9940 5.1523 5.2026 5.3827 5.4230 5.6771 5.7211 5.7495 5.7720 8.1238 8.2040 8.5026 8.6017 8.6991 8.7267 8.8555 8.8585 9.1019 9.2651 10.4824 10.4871 11.5302 11.5579 k = 0.2414 0.5000-0.0000 ( 5990 PWs) bands (ev): -61.7430 -61.7430 -34.6548 -34.6548 -26.0014 -26.0014 -25.9997 -25.9997 -6.7700 -6.7694 -6.4386 -6.4099 -6.1927 -6.1705 -6.1185 -6.1078 1.0766 1.0915 1.4276 1.4370 1.4913 1.4992 1.8036 1.8259 2.3517 2.4000 2.4074 2.4134 2.4637 2.4717 2.4880 2.5450 2.7833 2.7905 2.8967 2.9103 3.1289 3.2460 3.2875 3.3008 3.7710 3.7765 4.0631 4.0690 4.1432 4.1528 4.1829 4.1845 4.2620 4.3069 4.3695 4.3774 4.4960 4.5373 4.6121 4.6285 4.7325 4.7403 4.8322 4.8484 4.9380 4.9825 5.1416 5.1979 5.4041 5.4302 5.6595 5.7033 5.7595 5.7771 8.1498 8.2308 8.4976 8.5956 8.6903 8.7196 8.8821 8.8865 9.1131 9.2758 10.5168 10.5216 11.5171 11.5428 k = 0.2586 0.5000-0.0000 ( 6004 PWs) bands (ev): -61.7431 -61.7431 -34.6549 -34.6549 -26.0015 -26.0015 -25.9998 -25.9998 -6.7574 -6.7568 -6.4336 -6.4034 -6.2031 -6.1813 -6.1268 -6.1143 1.0886 1.1041 1.4285 1.4386 1.4881 1.4963 1.8163 1.8388 2.3479 2.3985 2.4058 2.4129 2.4672 2.4743 2.4907 2.5485 2.7658 2.7724 2.8954 2.9089 3.1077 3.2287 3.2635 3.2797 3.7776 3.7828 4.0659 4.0725 4.1474 4.1562 4.1845 4.1849 4.2644 4.3052 4.3648 4.3738 4.4908 4.5538 4.6042 4.6325 4.7419 4.7553 4.8373 4.8489 4.9283 4.9708 5.1287 5.1897 5.4230 5.4357 5.6410 5.6848 5.7742 5.7860 8.1765 8.2565 8.4929 8.5905 8.6821 8.7118 8.9104 8.9161 9.1244 9.2851 10.5532 10.5581 11.4994 11.5225 k = 0.2759 0.5000-0.0000 ( 6004 PWs) bands (ev): -61.7431 -61.7431 -34.6549 -34.6549 -26.0015 -26.0015 -25.9998 -25.9998 -6.7443 -6.7437 -6.4283 -6.3968 -6.2140 -6.1926 -6.1352 -6.1210 1.1003 1.1162 1.4293 1.4401 1.4847 1.4930 1.8310 1.8535 2.3451 2.3978 2.4048 2.4123 2.4707 2.4771 2.4937 2.5518 2.7474 2.7532 2.8943 2.9076 3.0872 3.2105 3.2399 3.2584 3.7838 3.7887 4.0695 4.0770 4.1521 4.1598 4.1854 4.1858 4.2673 4.3038 4.3605 4.3702 4.4823 4.5651 4.5985 4.6403 4.7528 4.7676 4.8441 4.8503 4.9193 4.9591 5.1141 5.1782 5.4390 5.4401 5.6223 5.6658 5.7926 5.7986 8.2033 8.2807 8.4890 8.5870 8.6749 8.7041 8.9392 8.9464 9.1358 9.2927 10.5915 10.5965 11.4772 11.4973 k = 0.2931 0.5000-0.0000 ( 6000 PWs) bands (ev): -61.7431 -61.7431 -34.6549 -34.6549 -26.0016 -26.0016 -25.9999 -25.9999 -6.7308 -6.7302 -6.4229 -6.3902 -6.2251 -6.2042 -6.1437 -6.1278 1.1117 1.1277 1.4299 1.4413 1.4811 1.4894 1.8477 1.8699 2.3430 2.3978 2.4041 2.4117 2.4742 2.4798 2.4968 2.5549 2.7280 2.7329 2.8933 2.9063 3.0676 3.1909 3.2174 3.2370 3.7896 3.7941 4.0737 4.0823 4.1570 4.1634 4.1859 4.1868 4.2706 4.3027 4.3567 4.3665 4.4716 4.5625 4.6049 4.6507 4.7634 4.7773 4.8522 4.8533 4.9107 4.9478 5.0982 5.1638 5.4438 5.4520 5.6036 5.6465 5.8134 5.8143 8.2299 8.3027 8.4862 8.5856 8.6688 8.6965 8.9679 8.9768 9.1473 9.2986 10.6317 10.6367 11.4510 11.4679 k = 0.3103 0.5000-0.0000 ( 6014 PWs) bands (ev): -61.7431 -61.7431 -34.6549 -34.6549 -26.0017 -26.0017 -25.9999 -25.9999 -6.7171 -6.7164 -6.4173 -6.3838 -6.2363 -6.2162 -6.1522 -6.1349 1.1225 1.1386 1.4303 1.4422 1.4774 1.4854 1.8664 1.8880 2.3419 2.3984 2.4037 2.4112 2.4775 2.4824 2.5001 2.5577 2.7077 2.7117 2.8926 2.9050 3.0492 3.1698 3.1966 3.2157 3.7948 3.7990 4.0785 4.0883 4.1621 4.1667 4.1865 4.1873 4.2744 4.3021 4.3533 4.3629 4.4598 4.5503 4.6198 4.6628 4.7723 4.7848 4.8579 4.8605 4.9029 4.9372 5.0810 5.1469 5.4472 5.4621 5.5853 5.6273 5.8325 5.8355 8.2558 8.3219 8.4850 8.5867 8.6638 8.6893 8.9958 9.0070 9.1587 9.3026 10.6734 10.6786 11.4215 11.4354 k = 0.3276 0.5000-0.0000 ( 6008 PWs) bands (ev): -61.7431 -61.7431 -34.6549 -34.6549 -26.0017 -26.0017 -26.0000 -26.0000 -6.7031 -6.7024 -6.4118 -6.3777 -6.2475 -6.2281 -6.1607 -6.1421 1.1328 1.1486 1.4305 1.4429 1.4736 1.4811 1.8870 1.9078 2.3417 2.3997 2.4034 2.4111 2.4806 2.4850 2.5036 2.5600 2.6867 2.6897 2.8920 2.9038 3.0322 3.1476 3.1775 3.1948 3.7997 3.8034 4.0839 4.0948 4.1670 4.1697 4.1871 4.1875 4.2790 4.3020 4.3504 4.3595 4.4475 4.5355 4.6369 4.6759 4.7791 4.7907 4.8643 4.8677 4.8960 4.9280 5.0632 5.1284 5.4506 5.4698 5.5677 5.6083 5.8523 5.8581 8.2803 8.3382 8.4857 8.5903 8.6600 8.6826 9.0225 9.0364 9.1700 9.3049 10.7167 10.7220 11.3897 11.4007 k = 0.3448 0.5000-0.0000 ( 6008 PWs) bands (ev): -61.7431 -61.7431 -34.6549 -34.6549 -26.0018 -26.0018 -26.0000 -26.0000 -6.6891 -6.6884 -6.4064 -6.3722 -6.2584 -6.2400 -6.1689 -6.1494 1.1424 1.1578 1.4305 1.4433 1.4699 1.4767 1.9093 1.9289 2.3424 2.4015 2.4028 2.4115 2.4836 2.4873 2.5072 2.5617 2.6651 2.6670 2.8916 2.9026 3.0168 3.1249 3.1600 3.1745 3.8041 3.8073 4.0899 4.1018 4.1717 4.1722 4.1871 4.1876 4.2843 4.3026 4.3480 4.3564 4.4353 4.5198 4.6546 4.6898 4.7838 4.7958 4.8711 4.8718 4.8908 4.9213 5.0449 5.1087 5.4540 5.4755 5.5510 5.5899 5.8729 5.8804 8.3028 8.3514 8.4887 8.5960 8.6573 8.6764 9.0480 9.0646 9.1810 9.3052 10.7613 10.7669 11.3567 11.3651 k = 0.3621 0.5000-0.0000 ( 6000 PWs) bands (ev): -61.7431 -61.7431 -34.6549 -34.6549 -26.0018 -26.0018 -26.0000 -26.0000 -6.6753 -6.6746 -6.4012 -6.3675 -6.2685 -6.2514 -6.1767 -6.1567 1.1514 1.1661 1.4302 1.4433 1.4663 1.4721 1.9329 1.9513 2.3438 2.4016 2.4038 2.4125 2.4862 2.4894 2.5108 2.5627 2.6432 2.6441 2.8915 2.9015 3.0034 3.1025 3.1437 3.1553 3.8080 3.8108 4.0963 4.1090 4.1740 4.1758 4.1864 4.1881 4.2903 4.3040 4.3461 4.3535 4.4234 4.5038 4.6726 4.7039 4.7869 4.8004 4.8718 4.8743 4.8907 4.9176 5.0267 5.0888 5.4575 5.4796 5.5357 5.5722 5.8933 5.9016 8.3226 8.3617 8.4945 8.6032 8.6557 8.6706 9.0721 9.0913 9.1915 9.3035 10.8072 10.8130 11.3234 11.3296 k = 0.3793 0.5000-0.0000 ( 6000 PWs) bands (ev): -61.7431 -61.7431 -34.6549 -34.6549 -26.0019 -26.0019 -26.0000 -26.0000 -6.6618 -6.6612 -6.3964 -6.3641 -6.2775 -6.2621 -6.1842 -6.1641 1.1596 1.1733 1.4298 1.4430 1.4630 1.4676 1.9573 1.9742 2.3460 2.3998 2.4064 2.4140 2.4885 2.4912 2.5145 2.5629 2.6213 2.6213 2.8916 2.9005 2.9919 3.0809 3.1287 3.1373 3.8114 3.8137 4.1031 4.1163 4.1751 4.1791 4.1853 4.1885 4.2971 4.3061 4.3446 4.3509 4.4121 4.4878 4.6907 4.7181 4.7890 4.8048 4.8678 4.8715 4.8970 4.9159 5.0090 5.0693 5.4609 5.4823 5.5218 5.5555 5.9129 5.9213 8.3394 8.3695 8.5029 8.6108 8.6550 8.6654 9.0949 9.1161 9.2013 9.2999 10.8541 10.8602 11.2910 11.2954 k = 0.3966 0.5000-0.0000 ( 5998 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0019 -26.0019 -26.0001 -26.0001 -6.6489 -6.6483 -6.3923 -6.3625 -6.2847 -6.2717 -6.1909 -6.1714 1.1672 1.1796 1.4292 1.4421 1.4601 1.4635 1.9819 1.9971 2.3488 2.3975 2.4092 2.4158 2.4904 2.4927 2.5181 2.5620 2.5994 2.6001 2.8919 2.8996 2.9827 3.0606 3.1149 3.1209 3.8144 3.8163 4.1102 4.1235 4.1753 4.1804 4.1851 4.1888 4.3046 4.3090 4.3433 4.3488 4.4017 4.4719 4.7087 4.7320 4.7910 4.8094 4.8618 4.8669 4.9042 4.9139 4.9927 5.0510 5.4643 5.4841 5.5098 5.5401 5.9310 5.9390 8.3529 8.3754 8.5140 8.6178 8.6550 8.6609 9.1164 9.1389 9.2101 9.2944 10.9019 10.9084 11.2605 11.2635 k = 0.4138 0.5000-0.0000 ( 5988 PWs) bands (ev): -61.7430 -61.7430 -34.6549 -34.6549 -26.0019 -26.0019 -26.0001 -26.0001 -6.6370 -6.6364 -6.3889 -6.3630 -6.2899 -6.2799 -6.1968 -6.1785 1.1739 1.1848 1.4285 1.4406 1.4577 1.4600 2.0061 2.0194 2.3520 2.3946 2.4121 2.4176 2.4916 2.4936 2.5215 2.5594 2.5797 2.5804 2.8924 2.8988 2.9758 3.0418 3.1026 3.1064 3.8169 3.8184 4.1176 4.1305 4.1745 4.1790 4.1865 4.1890 4.3126 4.3127 4.3425 4.3471 4.3924 4.4563 4.7263 4.7454 4.7934 4.8145 4.8553 4.8620 4.9089 4.9096 4.9795 5.0349 5.4676 5.4850 5.4998 5.5261 5.9472 5.9543 8.3633 8.3796 8.5271 8.6226 8.6557 8.6576 9.1369 9.1594 9.2174 9.2871 10.9503 10.9573 11.2330 11.2349 k = 0.4310 0.5000-0.0000 ( 5988 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0020 -26.0020 -26.0001 -26.0001 -6.6263 -6.6258 -6.3864 -6.3654 -6.2930 -6.2864 -6.2015 -6.1852 1.1798 1.1889 1.4279 1.4385 1.4558 1.4573 2.0288 2.0400 2.3556 2.3910 2.4148 2.4194 2.4921 2.4937 2.5242 2.5520 2.5636 2.5663 2.8930 2.8980 2.9713 3.0249 3.0920 3.0941 3.8190 3.8201 4.1250 4.1372 4.1726 4.1764 4.1881 4.1893 4.3168 4.3205 4.3418 4.3458 4.3845 4.4411 4.7429 4.7575 4.7970 4.8203 4.8495 4.8573 4.9017 4.9082 4.9718 5.0214 5.4708 5.4852 5.4919 5.5137 5.9611 5.9671 8.3711 8.3826 8.5414 8.6239 8.6563 8.6568 9.1564 9.1773 9.2230 9.2780 10.9992 11.0066 11.2092 11.2103 k = 0.4483 0.5000-0.0000 ( 5996 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0020 -26.0020 -26.0001 -26.0001 -6.6172 -6.6169 -6.3847 -6.3692 -6.2945 -6.2909 -6.2049 -6.1915 1.1847 1.1918 1.4276 1.4360 1.4545 1.4554 2.0490 2.0578 2.3594 2.3868 2.4172 2.4208 2.4915 2.4928 2.5252 2.5397 2.5518 2.5607 2.8937 2.8974 2.9693 3.0100 3.0833 3.0843 3.8206 3.8214 4.1324 4.1435 4.1694 4.1731 4.1893 4.1896 4.3213 4.3276 4.3414 4.3452 4.3788 4.4264 4.7573 4.7675 4.8030 4.8274 4.8449 4.8528 4.8904 4.9009 4.9707 5.0104 5.4737 5.4849 5.4863 5.5031 5.9724 5.9770 8.3767 8.3845 8.5561 8.6210 8.6570 8.6580 9.1750 9.1927 9.2265 9.2672 11.0480 11.0558 11.1899 11.1905 k = 0.4655 0.5000-0.0000 ( 5988 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0020 -26.0020 -26.0001 -26.0001 -6.6103 -6.6101 -6.3834 -6.3733 -6.2951 -6.2936 -6.2066 -6.1970 1.1887 1.1936 1.4276 1.4335 1.4536 1.4542 2.0654 2.0715 2.3634 2.3822 2.4193 2.4217 2.4899 2.4909 2.5236 2.5295 2.5470 2.5569 2.8944 2.8968 2.9699 2.9973 3.0768 3.0772 3.8218 3.8223 4.1397 4.1493 4.1653 4.1693 4.1900 4.1901 4.3259 4.3323 4.3413 4.3450 4.3769 4.4125 4.7681 4.7745 4.8129 4.8364 4.8422 4.8487 4.8762 4.8889 4.9743 5.0014 5.4766 5.4830 5.4841 5.4945 5.9809 5.9840 8.3808 8.3856 8.5704 8.6149 8.6584 8.6591 9.1928 9.2052 9.2277 9.2548 11.0957 11.1035 11.1758 11.1759 k = 0.4828 0.5000-0.0000 ( 6008 PWs) bands (ev): -61.7431 -61.7431 -34.6550 -34.6550 -26.0021 -26.0021 -26.0001 -26.0001 -6.6059 -6.6058 -6.3820 -6.3771 -6.2954 -6.2950 -6.2066 -6.2016 1.1916 1.1941 1.4282 1.4312 1.4532 1.4534 2.0765 2.0797 2.3677 2.3772 2.4208 2.4220 2.4881 2.4886 2.5214 2.5234 2.5475 2.5534 2.8950 2.8962 2.9730 2.9868 3.0728 3.0729 3.8225 3.8227 4.1466 4.1540 4.1607 4.1652 4.1903 4.1904 4.3300 4.3340 4.3416 4.3441 4.3803 4.3996 4.7747 4.7779 4.8265 4.8414 4.8451 4.8468 4.8608 4.8752 4.9799 4.9936 5.4795 5.4817 5.4830 5.4878 5.9863 5.9879 8.3835 8.3858 8.5838 8.6063 8.6596 8.6599 9.2097 9.2149 9.2263 9.2411 11.1390 11.1453 11.1669 11.1673 k = 0.5000 0.5000-0.0000 ( 6024 PWs) bands (ev): -61.7431 -61.7431 -34.6550 -34.6550 -26.0021 -26.0021 -26.0002 -26.0002 -6.6044 -6.6044 -6.3800 -6.3800 -6.2954 -6.2954 -6.2048 -6.2048 1.1934 1.1934 1.4294 1.4294 1.4531 1.4531 2.0815 2.0815 2.3723 2.3723 2.4217 2.4217 2.4874 2.4874 2.5210 2.5210 2.5501 2.5501 2.8956 2.8956 2.9787 2.9787 3.0714 3.0714 3.8228 3.8228 4.1527 4.1527 4.1610 4.1610 4.1904 4.1904 4.3330 4.3330 4.3426 4.3426 4.3885 4.3885 4.7778 4.7778 4.8419 4.8419 4.8427 4.8427 4.8617 4.8617 4.9865 4.9865 5.4820 5.4820 5.4830 5.4830 5.9887 5.9887 8.3851 8.3851 8.5959 8.5959 8.6601 8.6601 9.2212 9.2212 9.2268 9.2268 11.1625 11.1625 11.1652 11.1652 k = 0.5000 0.5000-0.0000 ( 6024 PWs) bands (ev): -61.7431 -61.7431 -34.6550 -34.6550 -26.0021 -26.0021 -26.0002 -26.0002 -6.6044 -6.6044 -6.3800 -6.3800 -6.2954 -6.2954 -6.2048 -6.2048 1.1934 1.1934 1.4294 1.4294 1.4531 1.4531 2.0815 2.0815 2.3723 2.3723 2.4217 2.4217 2.4874 2.4874 2.5210 2.5210 2.5501 2.5501 2.8956 2.8956 2.9787 2.9787 3.0714 3.0714 3.8228 3.8228 4.1527 4.1527 4.1610 4.1610 4.1904 4.1904 4.3330 4.3330 4.3426 4.3426 4.3885 4.3885 4.7778 4.7778 4.8419 4.8419 4.8427 4.8427 4.8617 4.8617 4.9865 4.9865 5.4820 5.4820 5.4830 5.4830 5.9887 5.9887 8.3851 8.3851 8.5959 8.5959 8.6601 8.6601 9.2212 9.2212 9.2268 9.2268 11.1625 11.1625 11.1652 11.1652 k = 0.4878 0.4878-0.0000 ( 6016 PWs) bands (ev): -61.7431 -61.7431 -34.6550 -34.6550 -26.0021 -26.0021 -26.0002 -26.0002 -6.6059 -6.6058 -6.3819 -6.3771 -6.2953 -6.2951 -6.2066 -6.2015 1.1916 1.1941 1.4281 1.4312 1.4532 1.4535 2.0765 2.0797 2.3677 2.3773 2.4207 2.4220 2.4882 2.4886 2.5214 2.5233 2.5472 2.5536 2.8950 2.8962 2.9731 2.9867 3.0728 3.0729 3.8225 3.8227 4.1462 4.1562 4.1582 4.1659 4.1902 4.1904 4.3300 4.3339 4.3416 4.3441 4.3801 4.3998 4.7749 4.7776 4.8273 4.8392 4.8465 4.8468 4.8608 4.8752 4.9799 4.9936 5.4794 5.4815 5.4835 5.4876 5.9863 5.9879 8.3835 8.3857 8.5838 8.6064 8.6596 8.6599 9.2075 9.2200 9.2234 9.2412 11.1376 11.1434 11.1689 11.1690 k = 0.4756 0.4756-0.0000 ( 5984 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0020 -26.0020 -26.0001 -26.0001 -6.6104 -6.6102 -6.3828 -6.3734 -6.2947 -6.2943 -6.2068 -6.1968 1.1887 1.1936 1.4265 1.4324 1.4548 1.4552 2.0651 2.0714 2.3634 2.3824 2.4192 2.4217 2.4910 2.4910 2.5239 2.5285 2.5448 2.5590 2.8945 2.8968 2.9704 2.9965 3.0766 3.0776 3.8218 3.8223 4.1384 4.1561 4.1575 4.1717 4.1899 4.1902 4.3258 4.3326 4.3419 4.3451 4.3754 4.4134 4.7695 4.7722 4.8167 4.8360 4.8370 4.8510 4.8764 4.8891 4.9742 5.0014 5.4768 5.4818 5.4861 5.4934 5.9809 5.9841 8.3810 8.3855 8.5701 8.6152 8.6584 8.6590 9.1879 9.2164 9.2222 9.2541 11.0904 11.0973 11.1829 11.1838 k = 0.4634 0.4634-0.0000 ( 5988 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0020 -26.0020 -26.0001 -26.0001 -6.6175 -6.6174 -6.3827 -6.3690 -6.2936 -6.2931 -6.2053 -6.1910 1.1846 1.1920 1.4228 1.4309 1.4597 1.4599 2.0480 2.0573 2.3595 2.3876 2.4171 2.4207 2.4938 2.4954 2.5271 2.5359 2.5435 2.5677 2.8938 2.8973 2.9707 3.0073 3.0827 3.0858 3.8206 3.8214 4.1301 4.1539 4.1575 4.1769 4.1891 4.1895 4.3209 4.3297 4.3423 4.3444 4.3752 4.4287 4.7605 4.7617 4.8120 4.8271 4.8352 4.8559 4.8909 4.9012 4.9705 5.0105 5.4748 5.4827 5.4899 5.5003 5.9727 5.9773 8.3776 8.3843 8.5551 8.6222 8.6566 8.6574 9.1662 9.2111 9.2195 9.2643 11.0367 11.0429 11.2061 11.2079 k = 0.4512 0.4512-0.0000 ( 5988 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0020 -26.0020 -26.0001 -26.0001 -6.6272 -6.6271 -6.3815 -6.3641 -6.2919 -6.2915 -6.2024 -6.1843 1.1795 1.1893 1.4163 1.4257 1.4678 1.4693 2.0262 2.0383 2.3561 2.3928 2.4143 2.4191 2.4964 2.5004 2.5296 2.5385 2.5508 2.5812 2.8932 2.8979 2.9738 3.0184 3.0907 3.0975 3.8190 3.8202 4.1217 4.1517 4.1568 4.1809 4.1877 4.1885 4.3161 4.3260 4.3419 4.3428 4.3792 4.4454 4.7448 4.7517 4.8113 4.8198 4.8351 4.8613 4.9024 4.9088 4.9715 5.0218 5.4734 5.4842 5.4948 5.5081 5.9621 5.9680 8.3733 8.3822 8.5389 8.6275 8.6541 8.6552 9.1429 9.2043 9.2152 9.2720 10.9795 10.9845 11.2379 11.2406 k = 0.4390 0.4390-0.0000 ( 5992 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0019 -26.0019 -26.0001 -26.0001 -6.6393 -6.6390 -6.3793 -6.3588 -6.2895 -6.2893 -6.1982 -6.1768 1.1734 1.1855 1.4071 1.4174 1.4792 1.4822 2.0006 2.0153 2.3535 2.3979 2.4112 2.4170 2.4986 2.5051 2.5316 2.5381 2.5651 2.5990 2.8927 2.8987 2.9796 3.0294 3.1006 3.1128 3.8170 3.8185 4.1134 4.1494 4.1556 4.1834 4.1856 4.1870 4.3120 4.3216 4.3385 4.3433 4.3866 4.4633 4.7274 4.7400 4.8122 4.8137 4.8364 4.8673 4.9096 4.9102 4.9792 5.0357 5.4725 5.4863 5.5005 5.5164 5.9496 5.9565 8.3683 8.3793 8.5215 8.6309 8.6512 8.6527 9.1182 9.1959 9.2090 9.2769 10.9195 10.9234 11.2772 11.2812 k = 0.4268 0.4268-0.0000 ( 5992 PWs) bands (ev): -61.7430 -61.7430 -34.6549 -34.6549 -26.0019 -26.0019 -26.0001 -26.0001 -6.6534 -6.6529 -6.3763 -6.3530 -6.2866 -6.2865 -6.1930 -6.1689 1.1664 1.1807 1.3954 1.4067 1.4933 1.4978 1.9722 1.9893 2.3519 2.4029 2.4076 2.4145 2.4998 2.5085 2.5343 2.5396 2.5823 2.6203 2.8922 2.8998 2.9877 3.0403 3.1120 3.1309 3.8146 3.8166 4.1054 4.1472 4.1541 4.1817 4.1847 4.1853 4.3089 4.3167 4.3349 4.3439 4.3965 4.4819 4.7097 4.7273 4.8086 4.8137 4.8393 4.8738 4.9047 4.9141 4.9924 5.0522 5.4722 5.4892 5.5066 5.5247 5.9358 5.9435 8.3626 8.3757 8.5032 8.6321 8.6479 8.6501 9.0923 9.1860 9.2011 9.2792 10.8571 10.8600 11.3232 11.3286 k = 0.4146 0.4146-0.0000 ( 5988 PWs) bands (ev): -61.7430 -61.7430 -34.6549 -34.6549 -26.0018 -26.0018 -26.0000 -26.0000 -6.6694 -6.6684 -6.3723 -6.3470 -6.2832 -6.2828 -6.1870 -6.1608 1.1585 1.1748 1.3816 1.3938 1.5098 1.5155 1.9418 1.9611 2.3516 2.4038 2.4072 2.4123 2.4999 2.5096 2.5383 2.5440 2.6014 2.6440 2.8919 2.9011 2.9975 3.0510 3.1248 3.1513 3.8118 3.8143 4.0976 4.1452 4.1523 4.1766 4.1817 4.1858 4.3067 4.3114 4.3314 4.3448 4.4087 4.5013 4.6922 4.7141 4.8040 4.8150 4.8435 4.8804 4.8972 4.9144 5.0090 5.0710 5.4724 5.4931 5.5126 5.5323 5.9216 5.9298 8.3563 8.3713 8.4841 8.6308 8.6444 8.6479 9.0656 9.1744 9.1912 9.2787 10.7924 10.7944 11.3744 11.3815 k = 0.4024 0.4024-0.0000 ( 5996 PWs) bands (ev): -61.7430 -61.7430 -34.6549 -34.6549 -26.0018 -26.0018 -26.0000 -26.0000 -6.6867 -6.6855 -6.3677 -6.3407 -6.2792 -6.2784 -6.1804 -6.1525 1.1496 1.1677 1.3657 1.3788 1.5281 1.5351 1.9101 1.9314 2.3530 2.3997 2.4064 2.4151 2.4990 2.5087 2.5443 2.5513 2.6220 2.6696 2.8917 2.9026 3.0088 3.0618 3.1388 3.1733 3.8087 3.8116 4.0900 4.1434 4.1504 4.1697 4.1776 4.1857 4.3053 4.3061 4.3283 4.3460 4.4226 4.5209 4.6750 4.7006 4.7997 4.8160 4.8488 4.8817 4.8937 4.9118 5.0271 5.0912 5.4730 5.4981 5.5180 5.5384 5.9079 5.9163 8.3496 8.3663 8.4644 8.6269 8.6407 8.6463 9.0383 9.1612 9.1794 9.2755 10.7254 10.7267 11.4294 11.4386 k = 0.3902 0.3902-0.0000 ( 5994 PWs) bands (ev): -61.7430 -61.7430 -34.6549 -34.6549 -26.0017 -26.0017 -26.0000 -26.0000 -6.7053 -6.7038 -6.3623 -6.3341 -6.2744 -6.2735 -6.1735 -6.1444 1.1397 1.1595 1.3479 1.3618 1.5479 1.5561 1.8778 1.9009 2.3562 2.3955 2.4028 2.4206 2.4976 2.5067 2.5521 2.5609 2.6437 2.6964 2.8918 2.9045 3.0210 3.0728 3.1537 3.1961 3.8052 3.8087 4.0826 4.1420 4.1485 4.1611 4.1722 4.1852 4.3009 4.3046 4.3259 4.3476 4.4380 4.5406 4.6586 4.6871 4.7957 4.8166 4.8551 4.8724 4.9003 4.9069 5.0462 5.1123 5.4737 5.5045 5.5225 5.5421 5.8958 5.9039 8.3426 8.3608 8.4443 8.6207 8.6369 8.6450 9.0106 9.1463 9.1657 9.2697 10.6564 10.6572 11.4866 11.4982 k = 0.3780 0.3780-0.0000 ( 5986 PWs) bands (ev): -61.7430 -61.7430 -34.6549 -34.6549 -26.0016 -26.0016 -26.0000 -26.0000 -6.7250 -6.7232 -6.3563 -6.3272 -6.2691 -6.2679 -6.1664 -6.1364 1.1288 1.1500 1.3285 1.3431 1.5686 1.5779 1.8457 1.8704 2.3614 2.3912 2.3987 2.4265 2.4964 2.5041 2.5616 2.5722 2.6664 2.7243 2.8922 2.9068 3.0340 3.0839 3.1694 3.2193 3.8014 3.8056 4.0756 4.1409 4.1461 4.1515 4.1655 4.1845 4.2964 4.3043 4.3245 4.3496 4.4545 4.5600 4.6431 4.6738 4.7920 4.8167 4.8609 4.8619 4.9003 4.9087 5.0658 5.1337 5.4736 5.5124 5.5265 5.5426 5.8862 5.8939 8.3354 8.3548 8.4240 8.6126 8.6331 8.6437 8.9827 9.1298 9.1499 9.2614 10.5853 10.5859 11.5442 11.5585 k = 0.3659 0.3659-0.0000 ( 5996 PWs) bands (ev): -61.7431 -61.7431 -34.6549 -34.6549 -26.0016 -26.0016 -25.9999 -25.9999 -6.7453 -6.7434 -6.3498 -6.3201 -6.2630 -6.2617 -6.1593 -6.1287 1.1167 1.1391 1.3074 1.3226 1.5892 1.5996 1.8146 1.8409 2.3686 2.3871 2.3944 2.4324 2.4960 2.5013 2.5724 2.5848 2.6896 2.7528 2.8928 2.9093 3.0474 3.0952 3.1856 3.2425 3.7973 3.8021 4.0689 4.1374 4.1399 4.1469 4.1575 4.1837 4.2927 4.3044 4.3242 4.3520 4.4718 4.5779 4.6294 4.6607 4.7883 4.8160 4.8491 4.8690 4.8924 4.9173 5.0858 5.1549 5.4711 5.5215 5.5311 5.5396 5.8799 5.8870 8.3281 8.3483 8.4037 8.6027 8.6290 8.6421 8.9548 9.1117 9.1321 9.2507 10.5123 10.5130 11.6006 11.6177 k = 0.3537 0.3537-0.0000 ( 5996 PWs) bands (ev): -61.7431 -61.7431 -34.6549 -34.6549 -26.0015 -26.0015 -25.9999 -25.9999 -6.7664 -6.7643 -6.3428 -6.3127 -6.2564 -6.2550 -6.1522 -6.1214 1.1036 1.1269 1.2848 1.3005 1.6083 1.6197 1.7865 1.8140 2.3769 2.3840 2.3900 2.4377 2.4975 2.4987 2.5846 2.5986 2.7135 2.7819 2.8937 2.9121 3.0611 3.1067 3.2021 3.2653 3.7929 3.7984 4.0626 4.1242 4.1379 4.1457 4.1494 4.1828 4.2902 4.3046 4.3251 4.3548 4.4896 4.5898 4.6223 4.6479 4.7847 4.8138 4.8381 4.8753 4.8847 4.9255 5.1064 5.1758 5.4644 5.5255 5.5380 5.5392 5.8774 5.8838 8.3209 8.3414 8.3837 8.5914 8.6248 8.6401 8.9271 9.0920 9.1123 9.2375 10.4376 10.4386 11.6540 11.6741 k = 0.3415 0.3415-0.0000 ( 5998 PWs) bands (ev): -61.7431 -61.7431 -34.6549 -34.6549 -26.0014 -26.0014 -25.9999 -25.9999 -6.7878 -6.7857 -6.3353 -6.3051 -6.2492 -6.2478 -6.1453 -6.1144 1.0893 1.1132 1.2609 1.2770 1.6231 1.6342 1.7652 1.7925 2.3772 2.3854 2.3905 2.4413 2.4968 2.5019 2.5978 2.6134 2.7379 2.8114 2.8950 2.9153 3.0748 3.1183 3.2188 3.2874 3.7883 3.7944 4.0567 4.1094 4.1310 4.1451 4.1452 4.1821 4.2889 4.3049 4.3272 4.3580 4.5078 4.5864 4.6305 4.6355 4.7809 4.8085 4.8299 4.8720 4.8860 4.9330 5.1277 5.1964 5.4526 5.5148 5.5483 5.5510 5.8787 5.8845 8.3138 8.3335 8.3648 8.5787 8.6204 8.6376 8.8997 9.0707 9.0906 9.2221 10.3614 10.3629 11.7029 11.7260 k = 0.3293 0.3293-0.0000 ( 5996 PWs) bands (ev): -61.7431 -61.7431 -34.6548 -34.6548 -26.0013 -26.0013 -25.9998 -25.9998 -6.8096 -6.8075 -6.3273 -6.2973 -6.2415 -6.2401 -6.1386 -6.1080 1.0740 1.0982 1.2359 1.2522 1.6291 1.6367 1.7574 1.7811 2.3734 2.3809 2.4022 2.4429 2.4962 2.5098 2.6121 2.6291 2.7627 2.8411 2.8965 2.9189 3.0885 3.1299 3.2353 3.3086 3.7836 3.7901 4.0511 4.0934 4.1193 4.1449 4.1454 4.1817 4.2889 4.3053 4.3305 4.3617 4.5259 4.5751 4.6234 4.6467 4.7767 4.7989 4.8256 4.8628 4.8927 4.9394 5.1501 5.2168 5.4361 5.4979 5.5622 5.5670 5.8834 5.8887 8.3070 8.3236 8.3480 8.5647 8.6155 8.6344 8.8727 9.0479 9.0671 9.2045 10.2837 10.2859 11.7462 11.7723 k = 0.3171 0.3171-0.0000 ( 5992 PWs) bands (ev): -61.7431 -61.7431 -34.6548 -34.6548 -26.0012 -26.0012 -25.9998 -25.9998 -6.8315 -6.8294 -6.3190 -6.2893 -6.2333 -6.2320 -6.1322 -6.1020 1.0576 1.0818 1.2097 1.2263 1.6226 1.6238 1.7661 1.7834 2.3695 2.3763 2.4140 2.4424 2.4981 2.5214 2.6274 2.6457 2.7879 2.8706 2.8984 2.9230 3.1021 3.1415 3.2516 3.3286 3.7786 3.7855 4.0458 4.0764 4.1059 4.1460 4.1461 4.1819 4.2902 4.3060 4.3349 4.3657 4.5439 4.5624 4.6118 4.6644 4.7719 4.7869 4.8237 4.8535 4.8994 4.9445 5.1735 5.2372 5.4156 5.4773 5.5794 5.5852 5.8910 5.8959 8.3003 8.3101 8.3353 8.5496 8.6102 8.6303 8.8462 9.0239 9.0420 9.1848 10.2048 10.2077 11.7834 11.8121 k = 0.3049 0.3049-0.0000 ( 5992 PWs) bands (ev): -61.7431 -61.7431 -34.6548 -34.6548 -26.0011 -26.0011 -25.9998 -25.9998 -6.8535 -6.8515 -6.3104 -6.2812 -6.2247 -6.2236 -6.1261 -6.0965 1.0402 1.0642 1.1828 1.1994 1.6010 1.6050 1.7862 1.7978 2.3656 2.3719 2.4235 2.4402 2.5043 2.5360 2.6434 2.6632 2.8135 2.8989 2.9006 2.9288 3.1156 3.1530 3.2675 3.3473 3.7734 3.7805 4.0400 4.0584 4.0926 4.1474 4.1478 4.1826 4.2928 4.3069 4.3401 4.3702 4.5495 4.5613 4.6008 4.6817 4.7660 4.7743 4.8227 4.8450 4.9056 4.9482 5.1984 5.2579 5.3923 5.4539 5.5993 5.6053 5.9008 5.9054 8.2934 8.2939 8.3263 8.5335 8.6042 8.6252 8.8202 8.9986 9.0154 9.1631 10.1247 10.1286 11.8143 11.8452 k = 0.2927 0.2927-0.0000 ( 5988 PWs) bands (ev): -61.7430 -61.7430 -34.6548 -34.6548 -26.0010 -26.0010 -25.9997 -25.9997 -6.8754 -6.8735 -6.3015 -6.2730 -6.2158 -6.2148 -6.1203 -6.0915 1.0218 1.0454 1.1551 1.1716 1.5738 1.5809 1.8118 1.8199 2.3618 2.3675 2.4292 2.4369 2.5164 2.5531 2.6603 2.6813 2.8395 2.9032 2.9199 2.9419 3.1289 3.1645 3.2828 3.3645 3.7680 3.7751 4.0323 4.0396 4.0810 4.1493 4.1501 4.1843 4.2967 4.3081 4.3461 4.3749 4.5369 4.5774 4.5909 4.6979 4.7589 4.7620 4.8221 4.8377 4.9111 4.9505 5.2249 5.2793 5.3672 5.4285 5.6214 5.6272 5.9121 5.9164 8.2755 8.2876 8.3191 8.5168 8.5973 8.6189 8.7949 8.9724 8.9875 9.1397 10.0436 10.0485 11.8395 11.8720 k = 0.2805 0.2805-0.0000 ( 5980 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0008 -26.0008 -25.9997 -25.9997 -6.8972 -6.8954 -6.2924 -6.2647 -6.2066 -6.2058 -6.1148 -6.0870 1.0028 1.0257 1.1268 1.1432 1.5450 1.5537 1.8401 1.8461 2.3582 2.3633 2.4308 2.4327 2.5342 2.5722 2.6778 2.7000 2.8658 2.9061 2.9288 2.9673 3.1420 3.1758 3.2975 3.3801 3.7624 3.7692 4.0200 4.0212 4.0733 4.1515 4.1528 4.1870 4.3019 4.3098 4.3528 4.3800 4.5247 4.5782 4.5960 4.7111 4.7504 4.7522 4.8217 4.8319 4.9157 4.9514 5.2530 5.3009 5.3418 5.4021 5.6453 5.6504 5.9245 5.9284 8.2575 8.2814 8.3128 8.4995 8.5895 8.6112 8.7702 8.9455 8.9587 9.1145 9.9617 9.9676 11.8599 11.8931 k = 0.2683 0.2683-0.0000 ( 5976 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0007 -26.0007 -25.9996 -25.9996 -6.9187 -6.9170 -6.2831 -6.2564 -6.1972 -6.1965 -6.1097 -6.0829 0.9830 1.0052 1.0981 1.1143 1.5158 1.5252 1.8700 1.8746 2.3547 2.3592 2.4280 2.4294 2.5565 2.5930 2.6958 2.7192 2.8924 2.9093 2.9342 2.9961 3.1550 3.1871 3.3114 3.3941 3.7566 3.7628 3.9998 4.0059 4.0703 4.1541 4.1559 4.1911 4.3081 4.3118 4.3601 4.3853 4.5129 4.5689 4.6106 4.7155 4.7407 4.7507 4.8212 4.8279 4.9194 4.9511 5.2823 5.3074 5.3324 5.3753 5.6704 5.6747 5.9374 5.9408 8.2397 8.2752 8.3070 8.4820 8.5806 8.6019 8.7464 8.9181 8.9292 9.0877 9.8789 9.8859 11.8764 11.9094 k = 0.2561 0.2561-0.0000 ( 5976 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0006 -26.0006 -25.9996 -25.9996 -6.9398 -6.9383 -6.2737 -6.2481 -6.1876 -6.1872 -6.1048 -6.0793 0.9628 0.9841 1.0692 1.0851 1.4868 1.4963 1.9006 1.9043 2.3513 2.3553 2.4229 2.4260 2.5817 2.6151 2.7142 2.7388 2.9126 2.9193 2.9388 3.0252 3.1679 3.1982 3.3245 3.4063 3.7504 3.7559 3.9791 3.9875 4.0712 4.1568 4.1594 4.1967 4.3141 4.3155 4.3679 4.3908 4.5016 4.5595 4.6242 4.7086 4.7305 4.7601 4.8208 4.8253 4.9222 4.9499 5.2828 5.3100 5.3517 5.3557 5.6964 5.6998 5.9504 5.9534 8.2225 8.2689 8.3014 8.4643 8.5704 8.5908 8.7233 8.8905 8.8994 9.0596 9.7955 9.8036 11.8900 11.9218 k = 0.2439 0.2439-0.0000 ( 5972 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0005 -26.0005 -25.9995 -25.9995 -6.9605 -6.9591 -6.2642 -6.2399 -6.1779 -6.1777 -6.1002 -6.0762 0.9423 0.9625 1.0403 1.0558 1.4584 1.4675 1.9315 1.9347 2.3481 2.3515 2.4174 2.4215 2.6089 2.6383 2.7331 2.7587 2.9163 2.9433 2.9463 3.0539 3.1808 3.2093 3.3367 3.4169 3.7440 3.7483 3.9579 3.9672 4.0751 4.1597 4.1632 4.2041 4.3168 4.3240 4.3762 4.3964 4.4910 4.5506 4.6358 4.6973 4.7208 4.7734 4.8202 4.8240 4.9242 4.9481 5.2557 5.3097 5.3577 5.3836 5.7229 5.7253 5.9632 5.9657 8.2059 8.2622 8.2960 8.4468 8.5588 8.5779 8.7011 8.8631 8.8696 9.0304 9.7116 9.7206 11.9015 11.9317 k = 0.2317 0.2317-0.0000 ( 5972 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -26.0004 -26.0004 -25.9995 -25.9995 -6.9807 -6.9794 -6.2547 -6.2319 -6.1682 -6.1681 -6.0959 -6.0734 0.9216 0.9408 1.0115 1.0265 1.4306 1.4392 1.9624 1.9653 2.3450 2.3478 2.4118 2.4162 2.6372 2.6621 2.7521 2.7787 2.9203 2.9478 2.9735 3.0818 3.1938 3.2204 3.3480 3.4258 3.7372 3.7402 3.9362 3.9455 4.0812 4.1626 4.1676 4.2131 4.3200 4.3335 4.3848 4.4018 4.4812 4.5421 4.6438 4.6851 4.7134 4.7874 4.8194 4.8237 4.9256 4.9460 5.2286 5.2851 5.3899 5.4139 5.7494 5.7510 5.9756 5.9775 8.1902 8.2549 8.2907 8.4296 8.5456 8.5632 8.6799 8.8361 8.8402 9.0001 9.6272 9.6372 11.9117 11.9401 k = 0.2195 0.2195-0.0000 ( 5968 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -26.0002 -26.0002 -25.9995 -25.9995 -7.0003 -6.9992 -6.2453 -6.2240 -6.1586 -6.1585 -6.0918 -6.0710 0.9010 0.9190 0.9829 0.9975 1.4037 1.4116 1.9931 1.9957 2.3419 2.3443 2.4060 2.4106 2.6661 2.6865 2.7712 2.7987 2.9245 2.9521 3.0008 3.1085 3.2073 3.2316 3.3585 3.4332 3.7300 3.7315 3.9142 3.9229 4.0892 4.1656 4.1724 4.2240 4.3235 4.3439 4.3937 4.4069 4.4724 4.5341 4.6461 4.6727 4.7106 4.8013 4.8184 4.8241 4.9265 4.9438 5.2019 5.2581 5.4265 5.4464 5.7757 5.7765 5.9874 5.9887 8.1752 8.2471 8.2853 8.4129 8.5308 8.5468 8.6596 8.8098 8.8114 8.9691 9.5425 9.5534 11.9213 11.9480 k = 0.2073 0.2073-0.0000 ( 5966 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -26.0001 -26.0001 -25.9994 -25.9994 -7.0192 -7.0182 -6.2360 -6.2164 -6.1492 -6.1488 -6.0880 -6.0689 0.8805 0.8974 0.9548 0.9688 1.3777 1.3848 2.0234 2.0258 2.3391 2.3409 2.4003 2.4047 2.6951 2.7110 2.7903 2.8185 2.9289 2.9564 3.0279 3.1336 3.2214 3.2429 3.3681 3.4391 3.7223 3.7223 3.8920 3.8998 4.0986 4.1686 4.1779 4.2364 4.3275 4.3550 4.4026 4.4110 4.4651 4.5265 4.6419 4.6604 4.7137 4.8135 4.8184 4.8251 4.9271 4.9417 5.1760 5.2310 5.4652 5.4810 5.8016 5.8017 5.9986 5.9992 8.1613 8.2385 8.2799 8.3968 8.5145 8.5286 8.6404 8.7835 8.7846 8.9376 9.4576 9.4694 11.9309 11.9560 k = 0.1951 0.1951-0.0000 ( 5966 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -26.0000 -26.0000 -25.9994 -25.9994 -7.0374 -7.0365 -6.2269 -6.2090 -6.1399 -6.1394 -6.0843 -6.0671 0.8604 0.8761 0.9273 0.9407 1.3527 1.3590 2.0530 2.0552 2.3362 2.3376 2.3945 2.3988 2.7239 2.7357 2.8092 2.8379 2.9334 2.9607 3.0548 3.1567 3.2364 3.2543 3.3769 3.4437 3.7126 3.7142 3.8695 3.8762 4.1091 4.1717 4.1842 4.2503 4.3319 4.3667 4.4116 4.4137 4.4601 4.5194 4.6330 4.6484 4.7209 4.8142 4.8267 4.8291 4.9276 4.9400 5.1509 5.2044 5.5053 5.5175 5.8263 5.8266 6.0089 6.0089 8.1485 8.2292 8.2742 8.3813 8.4966 8.5091 8.6224 8.7568 8.7605 8.9058 9.3727 9.3853 11.9411 11.9647 k = 0.1829 0.1829-0.0000 ( 5970 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -25.9999 -25.9999 -25.9993 -25.9993 -7.0547 -7.0540 -6.2181 -6.2020 -6.1308 -6.1301 -6.0808 -6.0656 0.8409 0.8554 0.9006 0.9133 1.3288 1.3343 2.0817 2.0837 2.3335 2.3345 2.3889 2.3929 2.7521 2.7601 2.8279 2.8569 2.9381 2.9648 3.0813 3.1775 3.2527 3.2662 3.3850 3.4471 3.7025 3.7057 3.8468 3.8524 4.1202 4.1749 4.1914 4.2655 4.3366 4.3786 4.4142 4.4204 4.4581 4.5129 4.6216 4.6367 4.7301 4.8121 4.8286 4.8419 4.9281 4.9388 5.1268 5.1783 5.5468 5.5557 5.8500 5.8506 6.0179 6.0185 8.1369 8.2192 8.2684 8.3664 8.4773 8.4882 8.6058 8.7314 8.7378 8.8741 9.2880 9.3013 11.9521 11.9745 k = 0.1707 0.1707-0.0000 ( 5972 PWs) bands (ev): -61.7430 -61.7430 -34.6545 -34.6545 -25.9998 -25.9998 -25.9993 -25.9993 -7.0713 -7.0707 -6.2096 -6.1954 -6.1219 -6.1212 -6.0775 -6.0642 0.8219 0.8353 0.8748 0.8868 1.3060 1.3107 2.1094 2.1113 2.3308 2.3314 2.3836 2.3872 2.7794 2.7840 2.8461 2.8751 2.9430 2.9688 3.1072 3.1957 3.2702 3.2784 3.3924 3.4494 3.6921 3.6966 3.8241 3.8285 4.1315 4.1782 4.1998 4.2816 4.3417 4.3901 4.4129 4.4290 4.4592 4.5068 4.6091 4.6254 4.7400 4.8095 4.8311 4.8543 4.9287 4.9381 5.1038 5.1530 5.5892 5.5953 5.8726 5.8734 6.0260 6.0273 8.1267 8.2088 8.2623 8.3519 8.4568 8.4664 8.5908 8.7073 8.7165 8.8425 9.2039 9.2176 11.9643 11.9858 k = 0.1585 0.1585-0.0000 ( 5966 PWs) bands (ev): -61.7430 -61.7430 -34.6545 -34.6545 -25.9997 -25.9997 -25.9993 -25.9993 -7.0869 -7.0864 -6.2015 -6.1892 -6.1134 -6.1125 -6.0744 -6.0630 0.8038 0.8160 0.8501 0.8613 1.2845 1.2884 2.1359 2.1375 2.3281 2.3284 2.3785 2.3818 2.8056 2.8073 2.8639 2.8924 2.9480 2.9727 3.1325 3.2118 3.2886 3.2912 3.3992 3.4508 3.6814 3.6871 3.8014 3.8046 4.1426 4.1816 4.2096 4.2983 4.3472 4.3983 4.4132 4.4372 4.4627 4.5013 4.5962 4.6144 4.7498 4.8065 4.8343 4.8664 4.9295 4.9381 5.0821 5.1286 5.6323 5.6361 5.8939 5.8947 6.0335 6.0353 8.1180 8.1984 8.2560 8.3375 8.4353 8.4440 8.5777 8.6847 8.6968 8.8115 9.1206 9.1347 11.9779 11.9987 k = 0.1463 0.1463-0.0000 ( 5966 PWs) bands (ev): -61.7430 -61.7430 -34.6545 -34.6545 -25.9996 -25.9996 -25.9992 -25.9992 -7.1016 -7.1012 -6.1938 -6.1834 -6.1052 -6.1043 -6.0713 -6.0619 0.7865 0.7977 0.8266 0.8371 1.2642 1.2674 2.1609 2.1624 2.3255 2.3255 2.3739 2.3768 2.8298 2.8305 2.8809 2.9087 2.9532 2.9764 3.1568 3.2261 3.3045 3.3074 3.4056 3.4515 3.6707 3.6773 3.7787 3.7809 4.1531 4.1850 4.2208 4.3153 4.3530 4.3981 4.4210 4.4449 4.4676 4.4964 4.5833 4.6038 4.7588 4.8032 4.8383 4.8779 4.9307 4.9386 5.0616 5.1051 5.6757 5.6776 5.9137 5.9143 6.0403 6.0428 8.1111 8.1884 8.2495 8.3232 8.4132 8.4211 8.5665 8.6634 8.6784 8.7812 9.0386 9.0527 11.9931 12.0133 k = 0.1341 0.1341-0.0000 ( 5966 PWs) bands (ev): -61.7430 -61.7430 -34.6545 -34.6545 -25.9995 -25.9995 -25.9992 -25.9992 -7.1152 -7.1149 -6.1866 -6.1780 -6.0974 -6.0965 -6.0685 -6.0609 0.7703 0.7804 0.8045 0.8142 1.2453 1.2478 2.1844 2.1856 2.3226 2.3229 2.3697 2.3722 2.8513 2.8538 2.8973 2.9236 2.9585 2.9799 3.1801 3.2391 3.3184 3.3261 3.4117 3.4516 3.6598 3.6670 3.7563 3.7574 4.1628 4.1885 4.2333 4.3322 4.3591 4.3942 4.4320 4.4518 4.4731 4.4922 4.5706 4.5934 4.7666 4.7997 4.8437 4.8890 4.9322 4.9397 5.0427 5.0828 5.7189 5.7194 5.9317 5.9321 6.0468 6.0497 8.1061 8.1792 8.2428 8.3088 8.3907 8.3982 8.5572 8.6436 8.6614 8.7516 8.9584 8.9722 12.0099 12.0297 k = 0.1220 0.1220-0.0000 ( 5976 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9994 -25.9994 -25.9992 -25.9992 -7.1279 -7.1276 -6.1801 -6.1732 -6.0901 -6.0892 -6.0658 -6.0599 0.7552 0.7643 0.7839 0.7927 1.2277 1.2297 2.2061 2.2071 2.3199 2.3203 2.3661 2.3683 2.8714 2.8754 2.9128 2.9372 2.9641 2.9831 3.2022 3.2511 3.3328 3.3443 3.4174 3.4512 3.6489 3.6563 3.7340 3.7343 4.1716 4.1919 4.2470 4.3485 4.3653 4.3897 4.4432 4.4577 4.4790 4.4890 4.5583 4.5833 4.7726 4.7961 4.8506 4.8995 4.9341 4.9410 5.0252 5.0617 5.7609 5.7616 5.9478 5.9480 6.0530 6.0562 8.1032 8.1713 8.2363 8.2943 8.3682 8.3757 8.5499 8.6253 8.6456 8.7227 8.8810 8.8936 12.0280 12.0476 k = 0.1098 0.1098-0.0000 ( 5974 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9994 -25.9994 -25.9992 -25.9992 -7.1394 -7.1392 -6.1741 -6.1688 -6.0833 -6.0824 -6.0633 -6.0589 0.7413 0.7494 0.7649 0.7729 1.2116 1.2131 2.2259 2.2267 2.3172 2.3178 2.3632 2.3649 2.8901 2.8950 2.9275 2.9491 2.9701 2.9862 3.2230 3.2624 3.3477 3.3618 3.4231 3.4506 3.6382 3.6455 3.7117 3.7122 4.1797 4.1953 4.2614 4.3635 4.3719 4.3856 4.4538 4.4625 4.4849 4.4868 4.5467 4.5735 4.7766 4.7925 4.8591 4.9094 4.9362 4.9427 5.0095 5.0420 5.8017 5.8031 5.9617 5.9619 6.0592 6.0626 8.1028 8.1652 8.2299 8.2799 8.3459 8.3537 8.5441 8.6083 8.6307 8.6941 8.8077 8.8178 12.0474 12.0667 k = 0.0976 0.0976-0.0000 ( 5970 PWs) bands (ev): -61.7430 -61.7430 -34.6544 -34.6544 -25.9993 -25.9993 -25.9991 -25.9991 -7.1498 -7.1497 -6.1688 -6.1649 -6.0771 -6.0762 -6.0610 -6.0580 0.7287 0.7358 0.7476 0.7548 1.1970 1.1981 2.2436 2.2442 2.3147 2.3154 2.3609 2.3623 2.9071 2.9124 2.9412 2.9596 2.9763 2.9891 3.2425 3.2730 3.3629 3.3783 3.4286 3.4499 3.6277 3.6347 3.6898 3.6907 4.1869 4.1986 4.2763 4.3749 4.3805 4.3821 4.4635 4.4659 4.4858 4.4907 4.5360 4.5639 4.7787 4.7889 4.8691 4.9185 4.9384 4.9445 4.9955 5.0238 5.8409 5.8426 5.9734 5.9737 6.0656 6.0689 8.1050 8.1613 8.2240 8.2657 8.3242 8.3326 8.5397 8.5924 8.6156 8.6643 8.7418 8.7459 12.0676 12.0865 k = 0.0854 0.0854-0.0000 ( 5966 PWs) bands (ev): -61.7430 -61.7430 -34.6544 -34.6544 -25.9992 -25.9992 -25.9991 -25.9991 -7.1591 -7.1590 -6.1642 -6.1614 -6.0715 -6.0707 -6.0589 -6.0570 0.7175 0.7237 0.7322 0.7385 1.1840 1.1847 2.2590 2.2594 2.3123 2.3130 2.3594 2.3604 2.9221 2.9272 2.9540 2.9687 2.9827 2.9917 3.2604 3.2831 3.3782 3.3937 3.4341 3.4493 3.6176 3.6238 3.6686 3.6699 4.1935 4.2018 4.2915 4.3795 4.3815 4.3914 4.4685 4.4720 4.4855 4.4962 4.5270 4.5545 4.7793 4.7855 4.8800 4.9268 4.9408 4.9463 4.9833 5.0074 5.8777 5.8796 5.9829 5.9834 6.0724 6.0754 8.1101 8.1600 8.2187 8.2522 8.3033 8.3125 8.5355 8.5768 8.5958 8.6320 8.6800 8.6898 12.0879 12.1057 k = 0.0732 0.0732-0.0000 ( 5966 PWs) bands (ev): -61.7430 -61.7430 -34.6544 -34.6544 -25.9992 -25.9992 -25.9991 -25.9991 -7.1672 -7.1671 -6.1602 -6.1584 -6.0666 -6.0658 -6.0570 -6.0560 0.7077 0.7129 0.7187 0.7241 1.1726 1.1730 2.2721 2.2723 2.3101 2.3108 2.3587 2.3594 2.9349 2.9393 2.9657 2.9770 2.9887 2.9942 3.2767 3.2925 3.3934 3.4079 3.4396 3.4490 3.6079 3.6131 3.6484 3.6499 4.1992 4.2048 4.3065 4.3777 4.3863 4.4006 4.4711 4.4794 4.4849 4.5013 4.5201 4.5452 4.7787 4.7822 4.8914 4.9340 4.9429 4.9479 4.9731 4.9928 5.9113 5.9130 5.9905 5.9910 6.0796 6.0821 8.1182 8.1617 8.2142 8.2396 8.2836 8.2938 8.5275 8.5570 8.5606 8.6084 8.6258 8.6552 12.1072 12.1211 k = 0.0610 0.0610-0.0000 ( 5990 PWs) bands (ev): -61.7431 -61.7431 -34.6544 -34.6544 -25.9992 -25.9992 -25.9991 -25.9991 -7.1741 -7.1740 -6.1570 -6.1559 -6.0623 -6.0617 -6.0555 -6.0551 0.6994 0.7037 0.7071 0.7117 1.1628 1.1631 2.2827 2.2828 2.3081 2.3088 2.3587 2.3592 2.9454 2.9487 2.9763 2.9847 2.9940 2.9966 3.2910 3.3012 3.4081 3.4210 3.4448 3.4492 3.5989 3.6029 3.6294 3.6309 4.2041 4.2075 4.3211 4.3769 4.3897 4.4067 4.4744 4.4835 4.4853 4.5055 4.5159 4.5361 4.7773 4.7792 4.9026 4.9400 4.9446 4.9492 4.9651 4.9802 5.9406 5.9420 5.9963 5.9968 6.0871 6.0890 8.1296 8.1665 8.2109 8.2286 8.2655 8.2766 8.5010 8.5051 8.5498 8.5924 8.5954 8.6312 12.1231 12.1295 k = 0.0488 0.0488-0.0000 ( 5992 PWs) bands (ev): -61.7431 -61.7431 -34.6544 -34.6544 -25.9991 -25.9991 -25.9991 -25.9991 -7.1797 -7.1797 -6.1544 -6.1538 -6.0588 -6.0583 -6.0542 -6.0542 0.6926 0.6960 0.6977 0.7013 1.1548 1.1549 2.2908 2.2909 2.3064 2.3071 2.3594 2.3596 2.9536 2.9556 2.9855 2.9917 2.9983 2.9988 3.3032 3.3088 3.4221 3.4327 3.4497 3.4501 3.5907 3.5935 3.6120 3.6133 4.2081 4.2099 4.3355 4.3771 4.3915 4.4093 4.4783 4.4825 4.4900 4.5090 4.5142 4.5272 4.7756 4.7765 4.9132 4.9447 4.9454 4.9499 4.9596 4.9698 5.9650 5.9659 6.0006 6.0010 6.0948 6.0960 8.1443 8.1747 8.2090 8.2194 8.2494 8.2611 8.4531 8.4564 8.5478 8.5767 8.5861 8.6125 12.1324 12.1337 k = 0.0366 0.0366-0.0000 ( 6007 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9991 -25.9991 -25.9991 -25.9991 -7.1842 -7.1842 -6.1524 -6.1522 -6.0560 -6.0556 -6.0535 -6.0533 0.6874 0.6900 0.6904 0.6931 1.1484 1.1485 2.2967 2.2968 2.3051 2.3056 2.3604 2.3605 2.9597 2.9606 2.9931 2.9975 3.0009 3.0015 3.3127 3.3153 3.4349 3.4430 3.4518 3.4538 3.5836 3.5853 3.5967 3.5978 4.2111 4.2120 4.3492 4.3783 4.3917 4.4080 4.4812 4.4844 4.4933 4.5114 4.5137 4.5186 4.7739 4.7742 4.9229 4.9449 4.9476 4.9500 4.9569 4.9620 5.9839 5.9844 6.0037 6.0040 6.1021 6.1027 8.1621 8.1858 8.2086 8.2128 8.2356 8.2474 8.4054 8.4093 8.5494 8.5688 8.5785 8.5970 12.1356 12.1357 k = 0.0244 0.0244-0.0000 ( 6031 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9992 -25.9992 -25.9991 -25.9991 -7.1873 -7.1873 -6.1511 -6.1510 -6.0540 -6.0537 -6.0529 -6.0526 0.6837 0.6853 0.6855 0.6871 1.1439 1.1439 2.3006 2.3007 2.3042 2.3045 2.3614 2.3614 2.9637 2.9640 2.9989 3.0018 3.0026 3.0036 3.3195 3.3203 3.4457 3.4511 3.4539 3.4567 3.5781 3.5788 3.5844 3.5850 4.2132 4.2135 4.3622 4.3803 4.3905 4.4031 4.4839 4.4885 4.4953 4.5096 4.5135 4.5139 4.7724 4.7725 4.9313 4.9437 4.9474 4.9496 4.9562 4.9574 5.9971 5.9973 6.0057 6.0059 6.1083 6.1085 8.1818 8.1982 8.2098 8.2099 8.2248 8.2359 8.3645 8.3669 8.5530 8.5650 8.5725 8.5842 12.1363 12.1364 k = 0.0122 0.0122-0.0000 ( 6031 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9991 -25.9991 -25.9991 -25.9991 -7.1892 -7.1892 -6.1503 -6.1503 -6.0527 -6.0526 -6.0524 -6.0523 0.6818 0.6823 0.6826 0.6832 1.1412 1.1412 2.3028 2.3028 2.3036 2.3038 2.3622 2.3622 2.9659 2.9660 3.0028 3.0040 3.0042 3.0047 3.3235 3.3236 3.4536 3.4561 3.4563 3.4581 3.5745 3.5747 3.5761 3.5764 4.2145 4.2145 4.3745 4.3828 4.3883 4.3954 4.4885 4.4922 4.4957 4.5019 4.5141 4.5142 4.7714 4.7714 4.9383 4.9431 4.9454 4.9475 4.9562 4.9563 6.0048 6.0048 6.0069 6.0070 6.1124 6.1124 8.1994 8.2038 8.2135 8.2155 8.2185 8.2264 8.3340 8.3345 8.5582 8.5639 8.5680 8.5736 12.1364 12.1364 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9991 -25.9991 -25.9991 -25.9991 -7.1899 -7.1899 -6.1500 -6.1500 -6.0522 -6.0522 -6.0522 -6.0522 0.6815 0.6815 0.6815 0.6815 1.1402 1.1402 2.3035 2.3035 2.3035 2.3035 2.3625 2.3625 2.9667 2.9667 3.0046 3.0046 3.0046 3.0046 3.3247 3.3247 3.4575 3.4575 3.4575 3.4575 3.5733 3.5733 3.5733 3.5733 4.2149 4.2149 4.3856 4.3856 4.3856 4.3856 4.4947 4.4947 4.4947 4.4947 4.5144 4.5144 4.7711 4.7711 4.9437 4.9437 4.9437 4.9437 4.9563 4.9563 6.0073 6.0073 6.0073 6.0073 6.1139 6.1139 8.2049 8.2049 8.2194 8.2194 8.2194 8.2194 8.3214 8.3214 8.5650 8.5650 8.5650 8.5650 12.1363 12.1363 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9991 -25.9991 -25.9991 -25.9991 -7.1899 -7.1899 -6.1500 -6.1500 -6.0522 -6.0522 -6.0522 -6.0522 0.6815 0.6815 0.6815 0.6815 1.1402 1.1402 2.3035 2.3035 2.3035 2.3035 2.3625 2.3625 2.9667 2.9667 3.0046 3.0046 3.0046 3.0046 3.3247 3.3247 3.4575 3.4575 3.4575 3.4575 3.5733 3.5733 3.5733 3.5733 4.2149 4.2149 4.3856 4.3856 4.3856 4.3856 4.4947 4.4947 4.4947 4.4947 4.5144 4.5144 4.7711 4.7711 4.9437 4.9437 4.9437 4.9437 4.9563 4.9563 6.0073 6.0073 6.0073 6.0073 6.1139 6.1139 8.2049 8.2049 8.2194 8.2194 8.2194 8.2194 8.3214 8.3214 8.5650 8.5650 8.5650 8.5650 12.1363 12.1363 k = 0.0100 0.0100 0.0100 ( 6031 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9991 -25.9991 -25.9991 -25.9991 -7.1892 -7.1892 -6.1503 -6.1503 -6.0526 -6.0525 -6.0525 -6.0524 0.6818 0.6825 0.6825 0.6832 1.1412 1.1412 2.3029 2.3029 2.3036 2.3038 2.3622 2.3622 2.9660 2.9660 3.0028 3.0041 3.0041 3.0045 3.3235 3.3235 3.4538 3.4563 3.4563 3.4577 3.5752 3.5752 3.5755 3.5760 4.2145 4.2145 4.3740 4.3856 4.3856 4.3957 4.4884 4.4938 4.4938 4.5022 4.5142 4.5142 4.7714 4.7714 4.9380 4.9443 4.9443 4.9475 4.9563 4.9563 6.0047 6.0047 6.0070 6.0071 6.1124 6.1124 8.2014 8.2014 8.2144 8.2166 8.2166 8.2266 8.3343 8.3343 8.5579 8.5660 8.5660 8.5739 12.1364 12.1364 k = 0.0200 0.0200 0.0200 ( 6031 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9991 -25.9991 -25.9991 -25.9991 -7.1873 -7.1873 -6.1510 -6.1510 -6.0535 -6.0533 -6.0533 -6.0530 0.6840 0.6854 0.6854 0.6869 1.1439 1.1439 2.3008 2.3008 2.3040 2.3044 2.3614 2.3614 2.9638 2.9638 2.9991 3.0025 3.0026 3.0026 3.3199 3.3199 3.4470 3.4527 3.4527 3.4545 3.5807 3.5807 3.5822 3.5832 4.2134 4.2134 4.3613 4.3856 4.3856 4.4035 4.4842 4.4914 4.4914 4.5106 4.5136 4.5136 4.7724 4.7724 4.9306 4.9458 4.9458 4.9497 4.9569 4.9569 5.9966 5.9966 6.0061 6.0063 6.1084 6.1084 8.1883 8.1883 8.2115 8.2179 8.2179 8.2361 8.3661 8.3661 8.5526 8.5688 8.5688 8.5846 12.1363 12.1363 k = 0.0300 0.0300 0.0300 ( 6007 PWs) bands (ev): -61.7431 -61.7431 -34.6545 -34.6545 -25.9991 -25.9991 -25.9991 -25.9991 -7.1841 -7.1841 -6.1523 -6.1523 -6.0549 -6.0547 -6.0547 -6.0542 0.6882 0.6902 0.6902 0.6925 1.1485 1.1485 2.2972 2.2972 2.3047 2.3053 2.3603 2.3603 2.9603 2.9603 2.9935 2.9985 3.0002 3.0002 3.3142 3.3142 3.4382 3.4470 3.4470 3.4490 3.5894 3.5894 3.5924 3.5941 4.2115 4.2115 4.3478 4.3855 4.3855 4.4080 4.4830 4.4875 4.4875 4.5126 4.5126 4.5194 4.7741 4.7741 4.9216 4.9460 4.9460 4.9502 4.9603 4.9603 5.9826 5.9826 6.0047 6.0051 6.1026 6.1026 8.1725 8.1725 8.2108 8.2240 8.2240 8.2478 8.4081 8.4081 8.5490 8.5741 8.5741 8.5971 12.1354 12.1354 k = 0.0400 0.0400 0.0400 ( 5992 PWs) bands (ev): -61.7431 -61.7431 -34.6544 -34.6544 -25.9991 -25.9991 -25.9991 -25.9991 -7.1796 -7.1796 -6.1540 -6.1540 -6.0568 -6.0566 -6.0566 -6.0559 0.6943 0.6969 0.6969 0.7001 1.1549 1.1549 2.2917 2.2917 2.3058 2.3065 2.3591 2.3591 2.9552 2.9552 2.9861 2.9925 2.9969 2.9969 3.3066 3.3066 3.4283 3.4396 3.4396 3.4421 3.6004 3.6004 3.6052 3.6076 4.2090 4.2090 4.3337 4.3852 4.3852 4.4087 4.4824 4.4824 4.4854 4.5113 4.5113 4.5284 4.7761 4.7761 4.9112 4.9441 4.9441 4.9491 4.9673 4.9673 5.9621 5.9621 6.0027 6.0032 6.0960 6.0960 8.1587 8.1587 8.2119 8.2331 8.2331 8.2613 8.4556 8.4556 8.5473 8.5828 8.5828 8.6114 12.1331 12.1331 k = 0.0500 0.0500 0.0500 ( 5980 PWs) bands (ev): -61.7431 -61.7431 -34.6544 -34.6544 -25.9991 -25.9991 -25.9991 -25.9991 -7.1739 -7.1739 -6.1563 -6.1563 -6.0592 -6.0590 -6.0590 -6.0580 0.7023 0.7054 0.7054 0.7095 1.1631 1.1631 2.2841 2.2841 2.3072 2.3080 2.3582 2.3582 2.9485 2.9485 2.9770 2.9845 2.9929 2.9929 3.2975 3.2975 3.4180 3.4308 3.4308 3.4344 3.6133 3.6133 3.6198 3.6227 4.2059 4.2059 4.3191 4.3846 4.3846 4.4059 4.4762 4.4762 4.4911 4.5096 4.5096 4.5376 4.7784 4.7784 4.8995 4.9410 4.9410 4.9467 4.9774 4.9774 5.9354 5.9354 6.0000 6.0008 6.0893 6.0893 8.1480 8.1480 8.2148 8.2446 8.2446 8.2766 8.5042 8.5042 8.5474 8.5980 8.5980 8.6274 12.1288 12.1288 k = 0.0600 0.0600 0.0600 ( 5974 PWs) bands (ev): -61.7431 -61.7431 -34.6544 -34.6544 -25.9992 -25.9992 -25.9991 -25.9991 -7.1670 -7.1670 -6.1590 -6.1590 -6.0621 -6.0619 -6.0619 -6.0607 0.7121 0.7157 0.7157 0.7208 1.1729 1.1729 2.2742 2.2742 2.3089 2.3099 2.3578 2.3578 2.9400 2.9400 2.9663 2.9747 2.9882 2.9882 3.2870 3.2870 3.4075 3.4207 3.4207 3.4263 3.6276 3.6276 3.6358 3.6390 4.2021 4.2021 4.3041 4.3834 4.3834 4.4004 4.4693 4.4693 4.4992 4.5077 4.5077 4.5467 4.7808 4.7808 4.8869 4.9370 4.9370 4.9432 4.9901 4.9901 5.9026 5.9026 5.9966 5.9978 6.0826 6.0826 8.1408 8.1408 8.2190 8.2580 8.2580 8.2931 8.5450 8.5450 8.5496 8.6275 8.6275 8.6453 12.1226 12.1226 k = 0.0700 0.0700 0.0700 ( 5965 PWs) bands (ev): -61.7430 -61.7430 -34.6544 -34.6544 -25.9992 -25.9992 -25.9992 -25.9992 -7.1588 -7.1588 -6.1622 -6.1622 -6.0655 -6.0653 -6.0653 -6.0638 0.7237 0.7278 0.7278 0.7339 1.1844 1.1844 2.2620 2.2620 2.3109 2.3121 2.3579 2.3579 2.9299 2.9299 2.9540 2.9630 2.9830 2.9830 3.2754 3.2754 3.3973 3.4095 3.4095 3.4183 3.6429 3.6429 3.6529 3.6561 4.1979 4.1979 4.2887 4.3816 4.3816 4.3934 4.4618 4.4618 4.5057 4.5057 4.5086 4.5558 4.7831 4.7831 4.8736 4.9328 4.9328 4.9389 5.0053 5.0053 5.8648 5.8648 5.9925 5.9941 6.0759 6.0759 8.1368 8.1368 8.2244 8.2729 8.2729 8.3104 8.5539 8.5714 8.5714 8.6650 8.6772 8.6772 12.1151 12.1151 k = 0.0800 0.0800 0.0800 ( 5971 PWs) bands (ev): -61.7430 -61.7430 -34.6545 -34.6545 -25.9992 -25.9992 -25.9992 -25.9992 -7.1494 -7.1494 -6.1658 -6.1658 -6.0693 -6.0692 -6.0692 -6.0674 0.7370 0.7415 0.7415 0.7486 1.1974 1.1974 2.2474 2.2474 2.3133 2.3145 2.3586 2.3586 2.9181 2.9181 2.9403 2.9497 2.9774 2.9774 3.2628 3.2628 3.3875 3.3972 3.3972 3.4103 3.6588 3.6588 3.6709 3.6736 4.1933 4.1933 4.2731 4.3788 4.3788 4.3854 4.4540 4.4540 4.5039 4.5039 4.5187 4.5646 4.7854 4.7854 4.8600 4.9283 4.9283 4.9340 5.0228 5.0228 5.8227 5.8227 5.9876 5.9897 6.0691 6.0691 8.1361 8.1361 8.2306 8.2889 8.2889 8.3280 8.5606 8.5899 8.5899 8.6863 8.7401 8.7401 12.1066 12.1066 k = 0.0900 0.0900 0.0900 ( 5971 PWs) bands (ev): -61.7430 -61.7430 -34.6545 -34.6545 -25.9993 -25.9993 -25.9993 -25.9993 -7.1388 -7.1388 -6.1698 -6.1698 -6.0735 -6.0735 -6.0735 -6.0715 0.7520 0.7568 0.7568 0.7650 1.2120 1.2120 2.2306 2.2306 2.3160 2.3173 2.3598 2.3598 2.9046 2.9046 2.9253 2.9347 2.9714 2.9714 3.2493 3.2493 3.3780 3.3840 3.3840 3.4024 3.6752 3.6752 3.6896 3.6914 4.1884 4.1884 4.2573 4.3747 4.3747 4.3770 4.4464 4.4464 4.5024 4.5024 4.5292 4.5733 4.7875 4.7875 4.8464 4.9239 4.9239 4.9288 5.0425 5.0425 5.7774 5.7774 5.9820 5.9846 6.0621 6.0621 8.1383 8.1383 8.2374 8.3057 8.3057 8.3454 8.5699 8.6066 8.6066 8.7093 8.8093 8.8093 12.0974 12.0974 k = 0.1000 0.1000 0.1000 ( 5944 PWs) bands (ev): -61.7430 -61.7430 -34.6544 -34.6544 -25.9993 -25.9993 -25.9993 -25.9993 -7.1271 -7.1271 -6.1743 -6.1743 -6.0783 -6.0783 -6.0782 -6.0759 0.7685 0.7735 0.7735 0.7829 1.2279 1.2279 2.2118 2.2118 2.3190 2.3203 2.3615 2.3615 2.8897 2.8897 2.9092 2.9184 2.9650 2.9650 3.2346 3.2346 3.3690 3.3702 3.3702 3.3948 3.6920 3.6920 3.7089 3.7094 4.1834 4.1834 4.2416 4.3683 4.3694 4.3694 4.4392 4.4392 4.5014 4.5014 4.5397 4.5817 4.7895 4.7895 4.8332 4.9196 4.9196 4.9237 5.0642 5.0642 5.7294 5.7294 5.9755 5.9787 6.0546 6.0546 8.1432 8.1432 8.2446 8.3228 8.3228 8.3619 8.5820 8.6239 8.6239 8.7337 8.8818 8.8818 12.0877 12.0877 k = 0.1100 0.1100 0.1100 ( 5962 PWs) bands (ev): -61.7430 -61.7430 -34.6545 -34.6545 -25.9994 -25.9994 -25.9994 -25.9994 -7.1143 -7.1143 -6.1791 -6.1791 -6.0835 -6.0835 -6.0832 -6.0808 0.7864 0.7916 0.7916 0.8023 1.2451 1.2451 2.1908 2.1908 2.3223 2.3236 2.3636 2.3636 2.8734 2.8734 2.8919 2.9007 2.9582 2.9582 3.2188 3.2188 3.3560 3.3560 3.3602 3.3871 3.7087 3.7087 3.7273 3.7286 4.1782 4.1782 4.2258 4.3596 4.3625 4.3625 4.4326 4.4326 4.5009 4.5009 4.5499 4.5895 4.7914 4.7914 4.8207 4.9155 4.9155 4.9188 5.0878 5.0878 5.6797 5.6797 5.9682 5.9721 6.0466 6.0466 8.1506 8.1506 8.2519 8.3399 8.3399 8.3771 8.5970 8.6426 8.6426 8.7595 8.9562 8.9562 12.0773 12.0773 k = 0.1200 0.1200 0.1200 ( 5971 PWs) bands (ev): -61.7430 -61.7430 -34.6545 -34.6545 -25.9994 -25.9994 -25.9994 -25.9994 -7.1004 -7.1004 -6.1843 -6.1843 -6.0890 -6.0890 -6.0886 -6.0860 0.8056 0.8110 0.8110 0.8230 1.2633 1.2633 2.1680 2.1680 2.3260 2.3272 2.3661 2.3661 2.8558 2.8558 2.8738 2.8820 2.9512 2.9512 3.2016 3.2016 3.3415 3.3415 3.3518 3.3796 3.7254 3.7254 3.7451 3.7486 4.1731 4.1731 4.2104 4.3511 4.3542 4.3542 4.4266 4.4266 4.5010 4.5010 4.5596 4.5970 4.7932 4.7932 4.8093 4.9116 4.9116 4.9145 5.1132 5.1132 5.6287 5.6287 5.9601 5.9647 6.0381 6.0381 8.1602 8.1602 8.2590 8.3567 8.3567 8.3907 8.6150 8.6631 8.6631 8.7865 9.0314 9.0314 12.0658 12.0658 k = 0.1300 0.1300 0.1300 ( 5971 PWs) bands (ev): -61.7430 -61.7430 -34.6545 -34.6545 -25.9995 -25.9995 -25.9995 -25.9995 -7.0855 -7.0855 -6.1898 -6.1898 -6.0949 -6.0949 -6.0943 -6.0915 0.8260 0.8314 0.8314 0.8448 1.2826 1.2826 2.1435 2.1435 2.3299 2.3309 2.3689 2.3689 2.8374 2.8374 2.8549 2.8624 2.9439 2.9439 3.1829 3.1829 3.3272 3.3272 3.3437 3.3721 3.7418 3.7418 3.7626 3.7687 4.1682 4.1682 4.1953 4.3429 4.3450 4.3450 4.4214 4.4214 4.5017 4.5017 4.5687 4.6040 4.7951 4.7951 4.7993 4.9079 4.9079 4.9109 5.1403 5.1403 5.5770 5.5770 5.9513 5.9566 6.0289 6.0289 8.1718 8.1718 8.2659 8.3732 8.3732 8.4025 8.6358 8.6855 8.6855 8.8145 9.1065 9.1065 12.0531 12.0531 k = 0.1400 0.1400 0.1400 ( 5959 PWs) bands (ev): -61.7430 -61.7430 -34.6545 -34.6545 -25.9996 -25.9996 -25.9996 -25.9996 -7.0696 -7.0696 -6.1956 -6.1956 -6.1011 -6.1011 -6.1003 -6.0974 0.8475 0.8528 0.8528 0.8677 1.3027 1.3027 2.1174 2.1174 2.3342 2.3350 2.3720 2.3720 2.8182 2.8182 2.8356 2.8422 2.9364 2.9364 3.1625 3.1625 3.3132 3.3132 3.3357 3.3646 3.7579 3.7579 3.7798 3.7889 4.1637 4.1637 4.1809 4.3351 4.3351 4.3354 4.4167 4.4167 4.5032 4.5032 4.5769 4.6104 4.7911 4.7971 4.7971 4.9044 4.9044 4.9082 5.1689 5.1689 5.5251 5.5251 5.9417 5.9479 6.0193 6.0193 8.1852 8.1852 8.2723 8.3894 8.3894 8.4125 8.6590 8.7098 8.7098 8.8434 9.1808 9.1808 12.0390 12.0390 k = 0.1500 0.1500 0.1500 ( 5974 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -25.9997 -25.9997 -25.9996 -25.9996 -7.0527 -7.0527 -6.2017 -6.2017 -6.1076 -6.1076 -6.1066 -6.1036 0.8699 0.8750 0.8750 0.8915 1.3233 1.3233 2.0899 2.0899 2.3387 2.3392 2.3753 2.3753 2.7984 2.7984 2.8157 2.8214 2.9286 2.9286 3.1405 3.1405 3.2996 3.2996 3.3278 3.3569 3.7734 3.7734 3.7965 3.8090 4.1594 4.1594 4.1672 4.3249 4.3249 4.3285 4.4124 4.4124 4.5051 4.5051 4.5838 4.6162 4.7849 4.7991 4.7991 4.9009 4.9009 4.9064 5.1988 5.1988 5.4733 5.4733 5.9315 5.9384 6.0091 6.0091 8.1998 8.1998 8.2782 8.4054 8.4054 8.4208 8.6843 8.7358 8.7358 8.8730 9.2537 9.2537 12.0236 12.0236 k = 0.1600 0.1600 0.1600 ( 5971 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -25.9997 -25.9997 -25.9997 -25.9997 -7.0349 -7.0349 -6.2080 -6.2080 -6.1143 -6.1143 -6.1132 -6.1100 0.8931 0.8979 0.8979 0.9161 1.3443 1.3443 2.0613 2.0613 2.3435 2.3437 2.3788 2.3788 2.7784 2.7784 2.7958 2.8005 2.9207 2.9207 3.1168 3.1168 3.2865 3.2865 3.3199 3.3491 3.7882 3.7882 3.8126 3.8288 4.1547 4.1557 4.1557 4.3148 4.3148 4.3225 4.4084 4.4084 4.5077 4.5077 4.5893 4.6214 4.7811 4.8013 4.8013 4.8974 4.8974 4.9057 5.2300 5.2300 5.4222 5.4222 5.9208 5.9285 5.9984 5.9984 8.2153 8.2153 8.2835 8.4215 8.4215 8.4275 8.7113 8.7633 8.7633 8.9030 9.3246 9.3246 12.0070 12.0070 k = 0.1700 0.1700 0.1700 ( 5980 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -25.9998 -25.9998 -25.9998 -25.9998 -7.0163 -7.0163 -6.2145 -6.2145 -6.1213 -6.1213 -6.1199 -6.1166 0.9168 0.9212 0.9212 0.9412 1.3655 1.3655 2.0316 2.0316 2.3483 2.3485 2.3825 2.3825 2.7583 2.7583 2.7757 2.7795 2.9125 2.9125 3.0918 3.0918 3.2740 3.2740 3.3119 3.3411 3.8023 3.8023 3.8282 3.8480 4.1434 4.1524 4.1524 4.3050 4.3050 4.3175 4.4046 4.4046 4.5107 4.5107 4.5932 4.6260 4.7798 4.8036 4.8036 4.8937 4.8937 4.9062 5.2623 5.2623 5.3720 5.3720 5.9096 5.9181 5.9874 5.9874 8.2313 8.2313 8.2881 8.4329 8.4381 8.4381 8.7396 8.7921 8.7921 8.9333 9.3930 9.3930 11.9895 11.9895 k = 0.1800 0.1800 0.1800 ( 5974 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -25.9999 -25.9999 -25.9999 -25.9999 -6.9969 -6.9969 -6.2213 -6.2213 -6.1284 -6.1284 -6.1269 -6.1235 0.9410 0.9447 0.9447 0.9666 1.3864 1.3864 2.0012 2.0012 2.3530 2.3538 2.3863 2.3863 2.7386 2.7386 2.7559 2.7589 2.9043 2.9043 3.0656 3.0656 3.2620 3.2620 3.3038 3.3328 3.8156 3.8156 3.8431 3.8665 4.1337 4.1497 4.1497 4.2959 4.2959 4.3136 4.4012 4.4012 4.5142 4.5142 4.5954 4.6299 4.7811 4.8060 4.8060 4.8899 4.8899 4.9077 5.2952 5.2952 5.3233 5.3233 5.8982 5.9074 5.9762 5.9762 8.2471 8.2471 8.2920 8.4371 8.4557 8.4557 8.7688 8.8220 8.8220 8.9639 9.4584 9.4584 11.9715 11.9726 k = 0.1900 0.1900 0.1900 ( 5977 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0000 -26.0000 -26.0000 -26.0000 -6.9768 -6.9768 -6.2282 -6.2282 -6.1357 -6.1357 -6.1340 -6.1305 0.9654 0.9683 0.9683 0.9923 1.4068 1.4068 1.9703 1.9703 2.3579 2.3593 2.3900 2.3900 2.7195 2.7195 2.7366 2.7387 2.8959 2.8959 3.0386 3.0386 3.2504 3.2504 3.2954 3.3242 3.8280 3.8280 3.8574 3.8841 4.1259 4.1476 4.1476 4.2876 4.2876 4.3109 4.3979 4.3979 4.5181 4.5181 4.5960 4.6332 4.7848 4.8084 4.8084 4.8858 4.8858 4.9103 5.2748 5.2748 5.3304 5.3304 5.8866 5.8965 5.9648 5.9648 8.2623 8.2623 8.2951 8.4402 8.4747 8.4747 8.7987 8.8526 8.8526 8.9944 9.5206 9.5206 11.9480 11.9532 k = 0.2000 0.2000 0.2000 ( 5968 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0001 -26.0001 -26.0001 -26.0001 -6.9561 -6.9561 -6.2352 -6.2352 -6.1431 -6.1431 -6.1412 -6.1377 0.9898 0.9917 0.9917 1.0179 1.4262 1.4262 1.9392 1.9392 2.3628 2.3650 2.3938 2.3938 2.7012 2.7012 2.7179 2.7192 2.8874 2.8874 3.0112 3.0112 3.2392 3.2392 3.2869 3.3153 3.8394 3.8394 3.8710 3.9004 4.1202 4.1461 4.1461 4.2802 4.2802 4.3094 4.3948 4.3948 4.5223 4.5223 4.5951 4.6359 4.7907 4.8105 4.8105 4.8814 4.8814 4.9140 5.2292 5.2292 5.3653 5.3653 5.8751 5.8855 5.9534 5.9534 8.2763 8.2763 8.2974 8.4422 8.4955 8.4955 8.8290 8.8838 8.8838 9.0248 9.5794 9.5794 11.9162 11.9252 k = 0.2100 0.2100 0.2100 ( 5974 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0002 -26.0002 -26.0002 -26.0001 -6.9347 -6.9347 -6.2423 -6.2423 -6.1506 -6.1506 -6.1485 -6.1450 1.0140 1.0148 1.0148 1.0433 1.4442 1.4442 1.9082 1.9082 2.3678 2.3708 2.3975 2.3975 2.6842 2.6842 2.7000 2.7009 2.8787 2.8787 2.9839 2.9839 3.2282 3.2282 3.2780 3.3060 3.8499 3.8499 3.8840 3.9151 4.1169 4.1450 4.1450 4.2738 4.2738 4.3091 4.3918 4.3918 4.5267 4.5267 4.5930 4.6381 4.7984 4.8120 4.8120 4.8768 4.8768 4.9184 5.1856 5.1856 5.4010 5.4010 5.8638 5.8748 5.9423 5.9423 8.2888 8.2888 8.2990 8.4433 8.5185 8.5185 8.8595 8.9153 8.9153 9.0550 9.6346 9.6346 11.8804 11.8917 k = 0.2200 0.2200 0.2200 ( 5968 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0003 -26.0003 -26.0002 -26.0002 -6.9128 -6.9128 -6.2494 -6.2494 -6.1581 -6.1581 -6.1559 -6.1523 1.0372 1.0372 1.0378 1.0682 1.4603 1.4603 1.8777 1.8777 2.3728 2.3768 2.4011 2.4011 2.6687 2.6687 2.6833 2.6838 2.8698 2.8698 2.9572 2.9572 3.2174 3.2174 3.2689 3.2963 3.8596 3.8596 3.8965 3.9280 4.1163 4.1444 4.1444 4.2685 4.2685 4.3099 4.3891 4.3891 4.5313 4.5313 4.5898 4.6397 4.8076 4.8122 4.8122 4.8723 4.8723 4.9236 5.1444 5.1444 5.4373 5.4373 5.8530 5.8644 5.9315 5.9315 8.2995 8.2995 8.2999 8.4435 8.5436 8.5436 8.8900 8.9468 8.9468 9.0848 9.6862 9.6862 11.8405 11.8542 k = 0.2300 0.2300 0.2300 ( 5968 PWs) bands (ev): -61.7430 -61.7430 -34.6548 -34.6548 -26.0004 -26.0004 -26.0003 -26.0003 -6.8905 -6.8905 -6.2567 -6.2567 -6.1656 -6.1656 -6.1633 -6.1597 1.0588 1.0588 1.0611 1.0925 1.4737 1.4737 1.8482 1.8482 2.3777 2.3828 2.4044 2.4044 2.6549 2.6549 2.6679 2.6682 2.8607 2.8607 2.9316 2.9316 3.2068 3.2068 3.2594 3.2863 3.8685 3.8685 3.9084 3.9391 4.1184 4.1442 4.1442 4.2643 4.2643 4.3117 4.3865 4.3865 4.5360 4.5360 4.5858 4.6408 4.8103 4.8103 4.8178 4.8683 4.8683 4.9293 5.1061 5.1061 5.4740 5.4740 5.8429 5.8546 5.9214 5.9214 8.3001 8.3083 8.3083 8.4429 8.5710 8.5710 8.9205 8.9782 8.9782 9.1140 9.7345 9.7345 11.7962 11.8125 k = 0.2400 0.2400 0.2400 ( 5971 PWs) bands (ev): -61.7430 -61.7430 -34.6548 -34.6548 -26.0005 -26.0005 -26.0004 -26.0004 -6.8678 -6.8678 -6.2639 -6.2639 -6.1732 -6.1732 -6.1707 -6.1671 1.0793 1.0793 1.0836 1.1158 1.4838 1.4838 1.8202 1.8202 2.3826 2.3888 2.4075 2.4075 2.6432 2.6432 2.6541 2.6544 2.8510 2.8510 2.9079 2.9079 3.1962 3.1962 3.2496 3.2760 3.8767 3.8767 3.9201 3.9484 4.1230 4.1442 4.1442 4.2610 4.2610 4.3145 4.3840 4.3840 4.5406 4.5406 4.5812 4.6415 4.8052 4.8052 4.8286 4.8653 4.8653 4.9353 5.0712 5.0712 5.5110 5.5110 5.8338 5.8458 5.9121 5.9121 8.2997 8.3153 8.3153 8.4415 8.6002 8.6002 8.9506 9.0092 9.0092 9.1426 9.7795 9.7795 11.7476 11.7664 k = 0.2500 0.2500 0.2500 ( 5983 PWs) bands (ev): -61.7430 -61.7430 -34.6548 -34.6548 -26.0006 -26.0006 -26.0005 -26.0005 -6.8449 -6.8449 -6.2711 -6.2711 -6.1807 -6.1807 -6.1781 -6.1745 1.0986 1.0986 1.1050 1.1380 1.4899 1.4899 1.7942 1.7942 2.3873 2.3948 2.4104 2.4104 2.6337 2.6337 2.6421 2.6426 2.8407 2.8407 2.8868 2.8868 3.1857 3.1857 3.2395 3.2653 3.8844 3.8844 3.9315 3.9561 4.1299 4.1444 4.1444 4.2586 4.2586 4.3180 4.3817 4.3817 4.5451 4.5451 4.5760 4.6416 4.7964 4.7964 4.8396 4.8635 4.8635 4.9413 5.0402 5.0402 5.5483 5.5483 5.8260 5.8381 5.9040 5.9040 8.2987 8.3208 8.3208 8.4394 8.6309 8.6309 8.9804 9.0397 9.0397 9.1703 9.8217 9.8217 11.6946 11.7158 k = 0.2600 0.2600 0.2600 ( 5980 PWs) bands (ev): -61.7430 -61.7430 -34.6548 -34.6548 -26.0007 -26.0007 -26.0006 -26.0006 -6.8218 -6.8218 -6.2782 -6.2782 -6.1881 -6.1881 -6.1854 -6.1818 1.1164 1.1164 1.1253 1.1588 1.4914 1.4914 1.7705 1.7705 2.3921 2.4008 2.4132 2.4132 2.6265 2.6265 2.6320 2.6329 2.8293 2.8293 2.8690 2.8690 3.1752 3.1752 3.2291 3.2543 3.8916 3.8916 3.9428 3.9627 4.1386 4.1449 4.1449 4.2569 4.2569 4.3222 4.3795 4.3795 4.5494 4.5494 4.5705 4.6412 4.7839 4.7839 4.8504 4.8622 4.8622 4.9472 5.0134 5.0134 5.5856 5.5856 5.8199 5.8319 5.8973 5.8973 8.2972 8.3248 8.3248 8.4367 8.6628 8.6628 9.0095 9.0693 9.0693 9.1970 9.8614 9.8614 11.6372 11.6607 k = 0.2700 0.2700 0.2700 ( 5965 PWs) bands (ev): -61.7430 -61.7430 -34.6548 -34.6548 -26.0007 -26.0007 -26.0007 -26.0007 -6.7985 -6.7985 -6.2853 -6.2853 -6.1954 -6.1954 -6.1927 -6.1891 1.1327 1.1327 1.1443 1.1781 1.4879 1.4879 1.7495 1.7495 2.3969 2.4068 2.4160 2.4160 2.6218 2.6218 2.6241 2.6254 2.8174 2.8174 2.8548 2.8548 3.1647 3.1647 3.2185 3.2431 3.8985 3.8985 3.9541 3.9687 4.1455 4.1455 4.1487 4.2559 4.2559 4.3269 4.3775 4.3775 4.5532 4.5532 4.5646 4.6405 4.7681 4.7681 4.8607 4.8607 4.8608 4.9525 4.9914 4.9914 5.6229 5.6229 5.8157 5.8275 5.8923 5.8923 8.2953 8.3276 8.3276 8.4334 8.6955 8.6955 9.0379 9.0980 9.0980 9.2226 9.8990 9.8990 11.5758 11.6014 k = 0.2800 0.2800 0.2800 ( 5968 PWs) bands (ev): -61.7430 -61.7430 -34.6549 -34.6549 -26.0008 -26.0008 -26.0008 -26.0008 -6.7752 -6.7752 -6.2923 -6.2923 -6.2025 -6.2025 -6.1998 -6.1963 1.1471 1.1471 1.1618 1.1958 1.4795 1.4795 1.7308 1.7308 2.4018 2.4127 2.4190 2.4190 2.6182 2.6193 2.6193 2.6201 2.8056 2.8056 2.8436 2.8436 3.1543 3.1543 3.2076 3.2316 3.9051 3.9051 3.9655 3.9742 4.1463 4.1463 4.1597 4.2554 4.2554 4.3319 4.3754 4.3754 4.5566 4.5566 4.5583 4.6392 4.7499 4.7499 4.8579 4.8579 4.8702 4.9570 4.9739 4.9739 5.6600 5.6600 5.8137 5.8253 5.8893 5.8893 8.2932 8.3294 8.3294 8.4296 8.7285 8.7285 9.0654 9.1253 9.1253 9.2467 9.9349 9.9349 11.5107 11.5381 k = 0.2900 0.2900 0.2900 ( 5962 PWs) bands (ev): -61.7430 -61.7430 -34.6549 -34.6549 -26.0009 -26.0009 -26.0009 -26.0009 -6.7520 -6.7520 -6.2992 -6.2992 -6.2095 -6.2095 -6.2068 -6.2033 1.1597 1.1597 1.1777 1.2116 1.4667 1.4667 1.7140 1.7140 2.4069 2.4187 2.4222 2.4222 2.6145 2.6170 2.6190 2.6190 2.7952 2.7952 2.8346 2.8346 3.1439 3.1439 3.1966 3.2199 3.9116 3.9116 3.9772 3.9799 4.1472 4.1472 4.1712 4.2552 4.2552 4.3371 4.3735 4.3735 4.5517 4.5593 4.5593 4.6376 4.7301 4.7301 4.8533 4.8533 4.8784 4.9603 4.9608 4.9608 5.6967 5.6967 5.8143 5.8255 5.8886 5.8886 8.2908 8.3305 8.3305 8.4254 8.7614 8.7614 9.0916 9.1512 9.1512 9.2692 9.9696 9.9696 11.4424 11.4714 k = 0.3000 0.3000 0.3000 ( 5968 PWs) bands (ev): -61.7430 -61.7430 -34.6549 -34.6549 -26.0010 -26.0010 -26.0010 -26.0010 -6.7290 -6.7290 -6.3059 -6.3059 -6.2163 -6.2163 -6.2136 -6.2102 1.1703 1.1703 1.1919 1.2255 1.4503 1.4503 1.6981 1.6981 2.4124 2.4248 2.4260 2.4260 2.6130 2.6159 2.6207 2.6207 2.7870 2.7870 2.8272 2.8272 3.1334 3.1334 3.1853 3.2080 3.9179 3.9179 3.9858 3.9891 4.1484 4.1484 4.1828 4.2552 4.2552 4.3423 4.3716 4.3716 4.5448 4.5611 4.5611 4.6354 4.7097 4.7097 4.8465 4.8465 4.8851 4.9513 4.9513 4.9622 5.7329 5.7329 5.8176 5.8284 5.8905 5.8905 8.2884 8.3309 8.3309 8.4208 8.7939 8.7939 9.1164 9.1753 9.1753 9.2898 10.0033 10.0033 11.3715 11.4018 k = 0.3100 0.3100 0.3100 ( 5968 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0011 -26.0011 -26.0011 -26.0011 -6.7062 -6.7062 -6.3125 -6.3125 -6.2230 -6.2230 -6.2203 -6.2170 1.1790 1.1790 1.2044 1.2375 1.4315 1.4315 1.6822 1.6822 2.4184 2.4305 2.4305 2.4311 2.6134 2.6167 2.6241 2.6241 2.7814 2.7814 2.8212 2.8212 3.1231 3.1231 3.1740 3.1961 3.9242 3.9242 3.9922 4.0015 4.1497 4.1497 4.1944 4.2552 4.2552 4.3475 4.3697 4.3697 4.5377 4.5619 4.5619 4.6329 4.6896 4.6896 4.8376 4.8376 4.8899 4.9443 4.9443 4.9624 5.7683 5.7683 5.8240 5.8342 5.8954 5.8954 8.2860 8.3309 8.3309 8.4160 8.8258 8.8258 9.1396 9.1973 9.1973 9.3083 10.0366 10.0366 11.2988 11.3301 k = 0.3200 0.3200 0.3200 ( 5968 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0012 -26.0012 -26.0012 -26.0012 -6.6838 -6.6838 -6.3189 -6.3189 -6.2293 -6.2293 -6.2267 -6.2235 1.1857 1.1857 1.2151 1.2475 1.4111 1.4111 1.6656 1.6656 2.4249 2.4358 2.4358 2.4377 2.6156 2.6192 2.6289 2.6289 2.7781 2.7781 2.8168 2.8168 3.1128 3.1128 3.1626 3.1841 3.9304 3.9304 3.9993 4.0142 4.1514 4.1514 4.2057 4.2553 4.2553 4.3527 4.3676 4.3676 4.5304 4.5614 4.5614 4.6299 4.6708 4.6708 4.8272 4.8272 4.8929 4.9388 4.9388 4.9608 5.8026 5.8026 5.8333 5.8429 5.9033 5.9033 8.2837 8.3305 8.3305 8.4111 8.8566 8.8566 9.1608 9.2170 9.2170 9.3243 10.0695 10.0695 11.2250 11.2572 k = 0.3300 0.3300 0.3300 ( 5980 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0013 -26.0013 -26.0013 -26.0013 -6.6619 -6.6619 -6.3251 -6.3251 -6.2354 -6.2354 -6.2329 -6.2298 1.1905 1.1905 1.2242 1.2556 1.3902 1.3902 1.6478 1.6478 2.4321 2.4420 2.4420 2.4446 2.6193 2.6231 2.6349 2.6349 2.7765 2.7765 2.8145 2.8145 3.1026 3.1026 3.1511 3.1720 3.9365 3.9365 4.0071 4.0274 4.1533 4.1533 4.2166 4.2552 4.2552 4.3575 4.3655 4.3655 4.5228 4.5593 4.5593 4.6264 4.6541 4.6541 4.8156 4.8156 4.8937 4.9337 4.9337 4.9571 5.8356 5.8356 5.8457 5.8547 5.9146 5.9146 8.2817 8.3300 8.3300 8.4062 8.8863 8.8863 9.1796 9.2340 9.2340 9.3375 10.1024 10.1024 11.1511 11.1840 k = 0.3400 0.3400 0.3400 ( 5974 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0014 -26.0014 -26.0014 -26.0014 -6.6405 -6.6405 -6.3311 -6.3311 -6.2413 -6.2413 -6.2388 -6.2359 1.1935 1.1935 1.2316 1.2619 1.3693 1.3693 1.6285 1.6285 2.4400 2.4490 2.4490 2.4519 2.6245 2.6283 2.6419 2.6419 2.7755 2.7755 2.8153 2.8153 3.0926 3.0926 3.1398 3.1600 3.9425 3.9425 4.0158 4.0410 4.1556 4.1556 4.2271 4.2550 4.2550 4.3622 4.3633 4.3633 4.5152 4.5553 4.5553 4.6226 4.6403 4.6403 4.8031 4.8031 4.8925 4.9283 4.9283 4.9514 5.8611 5.8668 5.8668 5.8694 5.9296 5.9296 8.2801 8.3294 8.3294 8.4013 8.9147 8.9147 9.1960 9.2481 9.2481 9.3477 10.1352 10.1352 11.0780 11.1113 k = 0.3500 0.3500 0.3500 ( 5962 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0014 -26.0014 -26.0014 -26.0014 -6.6198 -6.6198 -6.3369 -6.3369 -6.2468 -6.2468 -6.2445 -6.2417 1.1947 1.1947 1.2375 1.2665 1.3492 1.3492 1.6078 1.6078 2.4487 2.4568 2.4568 2.4597 2.6308 2.6346 2.6497 2.6497 2.7742 2.7742 2.8196 2.8196 3.0828 3.0828 3.1285 3.1481 3.9483 3.9483 4.0253 4.0551 4.1582 4.1582 4.2370 4.2546 4.2546 4.3608 4.3608 4.3664 4.5074 4.5495 4.5495 4.6184 4.6297 4.6297 4.7901 4.7901 4.8893 4.9220 4.9220 4.9438 5.8792 5.8869 5.8960 5.8960 5.9482 5.9482 8.2790 8.3289 8.3289 8.3966 8.9415 8.9415 9.2094 9.2590 9.2590 9.3544 10.1681 10.1681 11.0066 11.0403 k = 0.3600 0.3600 0.3600 ( 5974 PWs) bands (ev): -61.7430 -61.7430 -34.6551 -34.6551 -26.0015 -26.0015 -26.0015 -26.0015 -6.5998 -6.5998 -6.3425 -6.3425 -6.2521 -6.2521 -6.2499 -6.2472 1.1943 1.1943 1.2420 1.2695 1.3302 1.3302 1.5856 1.5856 2.4578 2.4652 2.4652 2.4678 2.6379 2.6415 2.6579 2.6579 2.7722 2.7722 2.8274 2.8274 3.0732 3.0732 3.1174 3.1363 3.9539 3.9539 4.0356 4.0696 4.1611 4.1611 4.2463 4.2540 4.2540 4.3580 4.3580 4.3701 4.4996 4.5423 4.5423 4.6137 4.6221 4.6221 4.7766 4.7766 4.8842 4.9147 4.9147 4.9343 5.8998 5.9068 5.9231 5.9231 5.9701 5.9701 8.2785 8.3286 8.3286 8.3921 8.9667 8.9667 9.2196 9.2665 9.2665 9.3574 10.2010 10.2010 10.9379 10.9718 k = 0.3700 0.3700 0.3700 ( 5968 PWs) bands (ev): -61.7430 -61.7430 -34.6551 -34.6551 -26.0016 -26.0016 -26.0016 -26.0016 -6.5806 -6.5806 -6.3478 -6.3478 -6.2570 -6.2570 -6.2550 -6.2524 1.1925 1.1925 1.2453 1.2712 1.3128 1.3128 1.5625 1.5625 2.4674 2.4742 2.4742 2.4763 2.6457 2.6491 2.6664 2.6664 2.7698 2.7698 2.8380 2.8380 3.0640 3.0640 3.1066 3.1248 3.9591 3.9591 4.0468 4.0845 4.1646 4.1646 4.2531 4.2531 4.2551 4.3549 4.3549 4.3732 4.4921 4.5345 4.5345 4.6087 4.6170 4.6170 4.7628 4.7628 4.8775 4.9063 4.9063 4.9232 5.9223 5.9287 5.9486 5.9486 5.9943 5.9943 8.2787 8.3285 8.3285 8.3880 8.9903 8.9903 9.2264 9.2703 9.2703 9.3566 10.2338 10.2338 10.8727 10.9067 k = 0.3800 0.3800 0.3800 ( 5971 PWs) bands (ev): -61.7430 -61.7430 -34.6551 -34.6551 -26.0016 -26.0016 -26.0016 -26.0016 -6.5624 -6.5624 -6.3528 -6.3528 -6.2615 -6.2615 -6.2597 -6.2573 1.1894 1.1894 1.2475 1.2716 1.2972 1.2972 1.5385 1.5385 2.4774 2.4835 2.4835 2.4851 2.6538 2.6570 2.6750 2.6750 2.7674 2.7674 2.8506 2.8506 3.0552 3.0552 3.0960 3.1135 3.9639 3.9639 4.0588 4.0997 4.1685 4.1685 4.2519 4.2519 4.2632 4.3515 4.3515 4.3755 4.4849 4.5269 4.5269 4.6033 4.6137 4.6137 4.7490 4.7490 4.8694 4.8966 4.8966 4.9107 5.9465 5.9522 5.9733 5.9733 6.0195 6.0195 8.2797 8.3287 8.3287 8.3843 9.0121 9.0121 9.2296 9.2704 9.2704 9.3518 10.2663 10.2663 10.8119 10.8458 k = 0.3900 0.3900 0.3900 ( 5971 PWs) bands (ev): -61.7430 -61.7430 -34.6551 -34.6551 -26.0017 -26.0017 -26.0017 -26.0017 -6.5452 -6.5452 -6.3576 -6.3576 -6.2657 -6.2657 -6.2642 -6.2619 1.1851 1.1851 1.2489 1.2711 1.2837 1.2837 1.5141 1.5141 2.4875 2.4930 2.4930 2.4940 2.6621 2.6650 2.6833 2.6833 2.7652 2.7652 2.8643 2.8643 3.0469 3.0469 3.0859 3.1026 3.9681 3.9681 4.0715 4.1150 4.1729 4.1729 4.2505 4.2505 4.2706 4.3478 4.3478 4.3767 4.4783 4.5201 4.5201 4.5975 4.6118 4.6118 4.7352 4.7352 4.8603 4.8860 4.8860 4.8972 5.9717 5.9768 5.9977 5.9977 6.0447 6.0447 8.2816 8.3293 8.3293 8.3810 9.0323 9.0323 9.2293 9.2669 9.2669 9.3429 10.2983 10.2983 10.7561 10.7896 k = 0.4000 0.4000 0.4000 ( 5968 PWs) bands (ev): -61.7430 -61.7430 -34.6551 -34.6551 -26.0018 -26.0018 -26.0017 -26.0017 -6.5290 -6.5290 -6.3621 -6.3621 -6.2696 -6.2696 -6.2682 -6.2662 1.1799 1.1799 1.2495 1.2698 1.2723 1.2723 1.4896 1.4896 2.4976 2.5024 2.5024 2.5029 2.6704 2.6730 2.6913 2.6913 2.7634 2.7634 2.8785 2.8785 3.0394 3.0394 3.0763 3.0920 3.9718 3.9718 4.0849 4.1305 4.1777 4.1777 4.2490 4.2490 4.2774 4.3439 4.3439 4.3767 4.4728 4.5146 4.5146 4.5913 4.6107 4.6107 4.7216 4.7216 4.8505 4.8745 4.8745 4.8830 5.9973 6.0019 6.0216 6.0216 6.0692 6.0692 8.2845 8.3303 8.3303 8.3782 9.0507 9.0507 9.2255 9.2598 9.2598 9.3303 10.3296 10.3296 10.7059 10.7387 k = 0.4100 0.4100 0.4100 ( 5968 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0018 -26.0018 -26.0018 -26.0018 -6.5140 -6.5140 -6.3664 -6.3664 -6.2731 -6.2731 -6.2719 -6.2701 1.1742 1.1742 1.2495 1.2630 1.2630 1.2679 1.4654 1.4654 2.5075 2.5116 2.5116 2.5117 2.6785 2.6809 2.6985 2.6985 2.7623 2.7623 2.8924 2.8924 3.0329 3.0329 3.0673 3.0820 3.9749 3.9749 4.0989 4.1458 4.1829 4.1829 4.2474 4.2474 4.2835 4.3399 4.3399 4.3750 4.4686 4.5103 4.5103 4.5847 4.6104 4.6104 4.7083 4.7083 4.8403 4.8623 4.8623 4.8684 6.0230 6.0270 6.0450 6.0450 6.0926 6.0926 8.2883 8.3318 8.3318 8.3758 9.0673 9.0673 9.2185 9.2496 9.2496 9.3142 10.3598 10.3598 10.6616 10.6934 k = 0.4200 0.4200 0.4200 ( 5971 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0019 -26.0019 -26.0019 -26.0019 -6.5002 -6.5002 -6.3704 -6.3704 -6.2762 -6.2762 -6.2753 -6.2736 1.1683 1.1683 1.2492 1.2558 1.2558 1.2656 1.4419 1.4419 2.5170 2.5202 2.5204 2.5204 2.6862 2.6883 2.7048 2.7048 2.7620 2.7620 2.9053 2.9053 3.0275 3.0275 3.0589 3.0725 3.9773 3.9773 4.1134 4.1607 4.1883 4.1883 4.2458 4.2458 4.2889 4.3358 4.3358 4.3714 4.4660 4.5072 4.5072 4.5775 4.6106 4.6106 4.6955 4.6955 4.8300 4.8499 4.8499 4.8539 6.0479 6.0514 6.0674 6.0674 6.1145 6.1145 8.2931 8.3337 8.3337 8.3737 9.0822 9.0822 9.2090 9.2368 9.2368 9.2953 10.3887 10.3887 10.6234 10.6536 k = 0.4300 0.4300 0.4300 ( 5971 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0019 -26.0019 -26.0019 -26.0019 -6.4877 -6.4877 -6.3742 -6.3742 -6.2789 -6.2789 -6.2782 -6.2767 1.1625 1.1625 1.2486 1.2506 1.2506 1.2630 1.4194 1.4194 2.5259 2.5283 2.5286 2.5286 2.6934 2.6953 2.7099 2.7099 2.7628 2.7628 2.9166 2.9166 3.0236 3.0236 3.0514 3.0637 3.9792 3.9792 4.1283 4.1750 4.1940 4.1940 4.2442 4.2442 4.2936 4.3318 4.3318 4.3660 4.4654 4.5052 4.5052 4.5699 4.6113 4.6113 4.6835 4.6835 4.8200 4.8374 4.8374 4.8398 6.0717 6.0747 6.0882 6.0882 6.1348 6.1348 8.2988 8.3359 8.3359 8.3718 9.0954 9.0954 9.1977 9.2222 9.2222 9.2743 10.4157 10.4157 10.5912 10.6193 k = 0.4400 0.4400 0.4400 ( 5971 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0020 -26.0020 -26.0019 -26.0019 -6.4765 -6.4765 -6.3777 -6.3777 -6.2812 -6.2812 -6.2808 -6.2795 1.1570 1.1570 1.2471 1.2471 1.2480 1.2603 1.3982 1.3982 2.5341 2.5357 2.5361 2.5361 2.6999 2.7015 2.7137 2.7137 2.7644 2.7644 2.9257 2.9257 3.0215 3.0215 3.0447 3.0557 3.9804 3.9804 4.1433 4.1883 4.1996 4.1996 4.2429 4.2429 4.2975 4.3278 4.3278 4.3590 4.4667 4.5042 4.5042 4.5617 4.6125 4.6125 4.6724 4.6724 4.8107 4.8253 4.8253 4.8266 6.0936 6.0961 6.1071 6.1071 6.1533 6.1533 8.3053 8.3384 8.3384 8.3701 9.1067 9.1067 9.1856 9.2067 9.2067 9.2522 10.4404 10.4404 10.5648 10.5902 k = 0.4500 0.4500 0.4500 ( 5956 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0020 -26.0020 -26.0020 -26.0020 -6.4668 -6.4668 -6.3809 -6.3809 -6.2832 -6.2832 -6.2829 -6.2818 1.1522 1.1522 1.2452 1.2452 1.2474 1.2577 1.3788 1.3788 2.5413 2.5424 2.5428 2.5428 2.7057 2.7071 2.7163 2.7163 2.7667 2.7667 2.9324 2.9324 3.0211 3.0211 3.0391 3.0485 3.9813 3.9813 4.1584 4.2002 4.2049 4.2049 4.2419 4.2419 4.3008 4.3241 4.3241 4.3508 4.4698 4.5038 4.5038 4.5530 4.6141 4.6141 4.6624 4.6624 4.8023 4.8139 4.8139 4.8147 6.1133 6.1153 6.1236 6.1236 6.1696 6.1696 8.3125 8.3410 8.3410 8.3682 9.1162 9.1162 9.1736 9.1913 9.1913 9.2300 10.4621 10.4621 10.5438 10.5661 k = 0.4600 0.4600 0.4600 ( 5956 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0020 -26.0020 -26.0020 -26.0020 -6.4585 -6.4585 -6.3838 -6.3838 -6.2848 -6.2848 -6.2847 -6.2838 1.1482 1.1482 1.2446 1.2446 1.2470 1.2552 1.3615 1.3615 2.5475 2.5481 2.5484 2.5484 2.7105 2.7117 2.7179 2.7179 2.7693 2.7693 2.9366 2.9366 3.0223 3.0223 3.0345 3.0422 3.9817 3.9817 4.1730 4.2095 4.2095 4.2102 4.2414 4.2414 4.3035 4.3207 4.3207 4.3419 4.4744 4.5039 4.5039 4.5438 4.6159 4.6159 4.6537 4.6537 4.7950 4.8037 4.8037 4.8043 6.1301 6.1317 6.1373 6.1373 6.1836 6.1836 8.3201 8.3435 8.3435 8.3659 9.1236 9.1236 9.1631 9.1773 9.1773 9.2088 10.4801 10.4801 10.5280 10.5465 k = 0.4700 0.4700 0.4700 ( 5956 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0020 -26.0020 -26.0020 -26.0020 -6.4517 -6.4517 -6.3863 -6.3863 -6.2860 -6.2860 -6.2860 -6.2854 1.1450 1.1450 1.2452 1.2452 1.2468 1.2529 1.3468 1.3468 2.5524 2.5527 2.5529 2.5529 2.7144 2.7153 2.7189 2.7189 2.7718 2.7718 2.9389 2.9389 3.0243 3.0243 3.0311 3.0370 3.9819 3.9819 4.1870 4.2133 4.2133 4.2176 4.2413 4.2413 4.3057 4.3178 4.3178 4.3330 4.4804 4.5042 4.5042 4.5342 4.6178 4.6178 4.6465 4.6465 4.7893 4.7951 4.7951 4.7958 6.1437 6.1449 6.1481 6.1481 6.1950 6.1950 8.3278 8.3457 8.3457 8.3630 9.1289 9.1289 9.1549 9.1657 9.1657 9.1896 10.4936 10.4936 10.5168 10.5311 k = 0.4800 0.4800 0.4800 ( 5956 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0020 -26.0020 -26.0020 -26.0020 -6.4467 -6.4467 -6.3883 -6.3883 -6.2870 -6.2869 -6.2869 -6.2865 1.1427 1.1427 1.2464 1.2464 1.2469 1.2510 1.3354 1.3354 2.5559 2.5561 2.5562 2.5562 2.7173 2.7178 2.7194 2.7194 2.7739 2.7739 2.9400 2.9400 3.0263 3.0263 3.0289 3.0330 3.9820 3.9820 4.1996 4.2159 4.2159 4.2217 4.2417 4.2417 4.3077 4.3154 4.3154 4.3249 4.4876 4.5046 4.5046 4.5244 4.6197 4.6197 4.6409 4.6409 4.7852 4.7885 4.7885 4.7893 6.1537 6.1546 6.1559 6.1559 6.2033 6.2033 8.3354 8.3475 8.3475 8.3593 9.1316 9.1316 9.1500 9.1578 9.1578 9.1734 10.5021 10.5021 10.5099 10.5196 k = 0.4900 0.4900 0.4900 ( 5968 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0021 -26.0021 -26.0020 -26.0020 -6.4436 -6.4436 -6.3895 -6.3895 -6.2875 -6.2874 -6.2874 -6.2873 1.1413 1.1413 1.2473 1.2476 1.2476 1.2494 1.3280 1.3280 2.5581 2.5582 2.5582 2.5582 2.7190 2.7193 2.7196 2.7196 2.7752 2.7752 2.9404 2.9404 3.0279 3.0279 3.0280 3.0301 3.9819 3.9819 4.2102 4.2174 4.2174 4.2218 4.2421 4.2421 4.3101 4.3139 4.3139 4.3183 4.4959 4.5048 4.5048 4.5145 4.6212 4.6212 4.6373 4.6373 4.7830 4.7844 4.7844 4.7850 6.1600 6.1604 6.1606 6.1606 6.2084 6.2084 8.3425 8.3486 8.3486 8.3546 9.1321 9.1321 9.1492 9.1538 9.1538 9.1610 10.5064 10.5064 10.5069 10.5118 k = 0.5000 0.5000 0.5000 ( 6008 PWs) bands (ev): -61.7430 -61.7430 -34.6553 -34.6553 -26.0021 -26.0021 -26.0021 -26.0021 -6.4425 -6.4425 -6.3900 -6.3900 -6.2876 -6.2876 -6.2876 -6.2876 1.1409 1.1409 1.2481 1.2481 1.2481 1.2481 1.3254 1.3254 2.5588 2.5588 2.5588 2.5588 2.7197 2.7197 2.7197 2.7197 2.7756 2.7756 2.9405 2.9405 3.0284 3.0284 3.0284 3.0284 3.9818 3.9818 4.2178 4.2178 4.2178 4.2178 4.2421 4.2421 4.3133 4.3133 4.3133 4.3133 4.5049 4.5049 4.5049 4.5049 4.6217 4.6217 4.6360 4.6360 4.7828 4.7828 4.7828 4.7828 6.1621 6.1621 6.1621 6.1621 6.2101 6.2101 8.3490 8.3490 8.3490 8.3490 9.1319 9.1319 9.1528 9.1528 9.1528 9.1528 10.5075 10.5075 10.5075 10.5075 k = 0.5000 0.5000 0.5000 ( 6008 PWs) bands (ev): -61.7430 -61.7430 -34.6553 -34.6553 -26.0021 -26.0021 -26.0021 -26.0021 -6.4425 -6.4425 -6.3900 -6.3900 -6.2876 -6.2876 -6.2876 -6.2876 1.1409 1.1409 1.2481 1.2481 1.2481 1.2481 1.3254 1.3254 2.5588 2.5588 2.5588 2.5588 2.7197 2.7197 2.7197 2.7197 2.7756 2.7756 2.9405 2.9405 3.0284 3.0284 3.0284 3.0284 3.9818 3.9818 4.2178 4.2178 4.2178 4.2178 4.2421 4.2421 4.3133 4.3133 4.3133 4.3133 4.5049 4.5049 4.5049 4.5049 4.6217 4.6217 4.6360 4.6360 4.7828 4.7828 4.7828 4.7828 6.1621 6.1621 6.1621 6.1621 6.2101 6.2101 8.3490 8.3490 8.3490 8.3490 9.1319 9.1319 9.1528 9.1528 9.1528 9.1528 10.5075 10.5075 10.5075 10.5075 k = 0.4878 0.5000 0.4878 ( 5958 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0020 -26.0020 -26.0020 -26.0020 -6.4436 -6.4436 -6.3896 -6.3895 -6.2876 -6.2874 -6.2873 -6.2872 1.1413 1.1413 1.2470 1.2477 1.2479 1.2494 1.3280 1.3280 2.5581 2.5582 2.5582 2.5582 2.7190 2.7192 2.7197 2.7198 2.7752 2.7752 2.9403 2.9405 3.0275 3.0281 3.0283 3.0299 3.9819 3.9820 4.2105 4.2159 4.2187 4.2219 4.2421 4.2421 4.3102 4.3129 4.3149 4.3181 4.4962 4.5025 4.5072 4.5142 4.6211 4.6212 4.6372 4.6373 4.7830 4.7842 4.7844 4.7852 6.1599 6.1602 6.1607 6.1609 6.2085 6.2085 8.3427 8.3471 8.3502 8.3544 9.1318 9.1325 9.1492 9.1528 9.1550 9.1607 10.5059 10.5068 10.5073 10.5115 k = 0.4756 0.5000 0.4756 ( 5958 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0020 -26.0020 -26.0020 -26.0020 -6.4467 -6.4466 -6.3885 -6.3881 -6.2875 -6.2870 -6.2865 -6.2863 1.1427 1.1427 1.2451 1.2466 1.2478 1.2512 1.3352 1.3354 2.5560 2.5561 2.5562 2.5563 2.7170 2.7174 2.7196 2.7199 2.7738 2.7740 2.9394 2.9407 3.0253 3.0276 3.0290 3.0326 3.9819 3.9820 4.2001 4.2131 4.2173 4.2229 4.2416 4.2416 4.3077 4.3136 4.3171 4.3249 4.4881 4.5003 4.5091 4.5236 4.6197 4.6201 4.6404 4.6411 4.7849 4.7879 4.7883 4.7903 6.1533 6.1540 6.1564 6.1567 6.2034 6.2035 8.3356 8.3447 8.3503 8.3592 9.1296 9.1347 9.1498 9.1573 9.1575 9.1731 10.5019 10.5050 10.5091 10.5181 k = 0.4634 0.5000 0.4634 ( 5958 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0020 -26.0020 -26.0020 -26.0020 -6.4518 -6.4513 -6.3870 -6.3859 -6.2874 -6.2863 -6.2851 -6.2848 1.1448 1.1451 1.2429 1.2452 1.2487 1.2536 1.3462 1.3470 2.5524 2.5527 2.5530 2.5532 2.7137 2.7144 2.7194 2.7198 2.7718 2.7724 2.9371 2.9412 3.0215 3.0273 3.0311 3.0362 3.9818 3.9820 4.1876 4.2096 4.2127 4.2221 4.2410 4.2414 4.3054 4.3152 4.3199 4.3332 4.4808 4.4985 4.5103 4.5331 4.6182 4.6191 4.6448 4.6469 4.7884 4.7933 4.7948 4.7982 6.1425 6.1436 6.1491 6.1498 6.1951 6.1955 8.3276 8.3419 8.3494 8.3633 9.1247 9.1389 9.1540 9.1595 9.1666 9.1896 10.4950 10.5003 10.5142 10.5264 k = 0.4512 0.5000 0.4512 ( 5958 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0020 -26.0020 -26.0020 -26.0020 -6.4584 -6.4575 -6.3853 -6.3829 -6.2874 -6.2852 -6.2831 -6.2827 1.1477 1.1484 1.2410 1.2440 1.2503 1.2567 1.3603 1.3619 2.5475 2.5481 2.5485 2.5489 2.7091 2.7100 2.7187 2.7192 2.7693 2.7707 2.9325 2.9421 3.0161 3.0278 3.0346 3.0407 3.9816 3.9819 4.1737 4.2051 4.2055 4.2197 4.2405 4.2419 4.3031 4.3172 4.3230 4.3423 4.4742 4.4978 4.5107 4.5422 4.6173 4.6186 4.6504 4.6541 4.7936 4.8007 4.8033 4.8083 6.1277 6.1293 6.1390 6.1399 6.1841 6.1848 8.3192 8.3390 8.3477 8.3671 9.1177 9.1447 9.1606 9.1610 9.1798 9.2095 10.4854 10.4927 10.5216 10.5349 k = 0.4390 0.5000 0.4390 ( 5958 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0020 -26.0020 -26.0019 -26.0019 -6.4665 -6.4651 -6.3837 -6.3795 -6.2875 -6.2837 -6.2804 -6.2800 1.1513 1.1525 1.2398 1.2437 1.2528 1.2605 1.3769 1.3795 2.5415 2.5423 2.5430 2.5437 2.7033 2.7044 2.7175 2.7177 2.7672 2.7692 2.9252 2.9434 3.0091 3.0299 3.0394 3.0461 3.9810 3.9815 4.1593 4.1951 4.2009 4.2158 4.2402 4.2431 4.3007 4.3194 4.3263 4.3513 4.4685 4.4982 4.5103 4.5509 4.6175 4.6185 4.6570 4.6626 4.8004 4.8100 4.8130 4.8200 6.1093 6.1113 6.1260 6.1272 6.1707 6.1719 8.3107 8.3360 8.3455 8.3705 9.1091 9.1517 9.1608 9.1699 9.1956 9.2317 10.4736 10.4825 10.5308 10.5430 k = 0.4268 0.5000 0.4268 ( 5964 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0020 -26.0020 -26.0019 -26.0019 -6.4758 -6.4738 -6.3824 -6.3756 -6.2879 -6.2817 -6.2771 -6.2768 1.1556 1.1575 1.2393 1.2443 1.2562 1.2650 1.3953 1.3994 2.5345 2.5356 2.5365 2.5375 2.6963 2.6974 2.7149 2.7154 2.7658 2.7684 2.9150 2.9447 3.0009 3.0337 3.0454 3.0522 3.9800 3.9808 4.1447 4.1838 4.1960 4.2108 4.2401 4.2450 4.2981 4.3215 4.3298 4.3597 4.4636 4.5003 4.5093 4.5589 4.6189 4.6192 4.6646 4.6721 4.8086 4.8215 4.8234 4.8326 6.0877 6.0902 6.1102 6.1117 6.1552 6.1569 8.3024 8.3330 8.3432 8.3735 9.0989 9.1568 9.1621 9.1799 9.2128 9.2551 10.4606 10.4703 10.5417 10.5516 k = 0.4146 0.5000 0.4146 ( 5972 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0020 -26.0020 -26.0018 -26.0018 -6.4861 -6.4836 -6.3813 -6.3715 -6.2884 -6.2794 -6.2732 -6.2729 1.1604 1.1631 1.2397 1.2458 1.2606 1.2704 1.4154 1.4211 2.5265 2.5281 2.5292 2.5306 2.6881 2.6893 2.7106 2.7126 2.7656 2.7683 2.9021 2.9455 2.9921 3.0391 3.0525 3.0589 3.9784 3.9793 4.1305 4.1717 4.1908 4.2049 4.2401 4.2472 4.2954 4.3236 4.3335 4.3669 4.4596 4.5041 4.5078 4.5662 4.6203 4.6216 4.6731 4.6822 4.8182 4.8340 4.8349 4.8458 6.0634 6.0664 6.0919 6.0937 6.1379 6.1402 8.2948 8.3300 8.3411 8.3761 9.0871 9.1546 9.1693 9.1901 9.2304 9.2786 10.4472 10.4571 10.5544 10.5618 k = 0.4024 0.5000 0.4024 ( 5968 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0020 -26.0020 -26.0018 -26.0018 -6.4973 -6.4945 -6.3805 -6.3671 -6.2891 -6.2765 -6.2688 -6.2685 1.1656 1.1691 1.2412 1.2484 1.2661 1.2766 1.4366 1.4444 2.5179 2.5200 2.5212 2.5231 2.6791 2.6802 2.7051 2.7090 2.7668 2.7692 2.8867 2.9441 2.9842 3.0459 3.0607 3.0664 3.9758 3.9769 4.1172 4.1596 4.1856 4.1984 4.2403 4.2495 4.2927 4.3255 4.3371 4.3727 4.4567 4.5062 4.5096 4.5729 4.6220 4.6253 4.6826 4.6928 4.8291 4.8443 4.8503 4.8590 6.0371 6.0405 6.0714 6.0733 6.1190 6.1217 8.2882 8.3271 8.3395 8.3784 9.0736 9.1493 9.1770 9.1998 9.2474 9.3013 10.4344 10.4438 10.5695 10.5744 k = 0.3902 0.5000 0.3902 ( 5968 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0019 -26.0019 -26.0017 -26.0017 -6.5094 -6.5062 -6.3802 -6.3627 -6.2899 -6.2732 -6.2637 -6.2635 1.1709 1.1751 1.2438 1.2518 1.2727 1.2839 1.4588 1.4689 2.5087 2.5113 2.5126 2.5152 2.6692 2.6700 2.6986 2.7050 2.7692 2.7708 2.8693 2.9385 2.9797 3.0539 3.0697 3.0744 3.9722 3.9731 4.1052 4.1479 4.1804 4.1917 4.2402 4.2519 4.2901 4.3272 4.3404 4.3770 4.4549 4.5046 4.5167 4.5792 4.6240 4.6298 4.6930 4.7036 4.8410 4.8540 4.8664 4.8726 6.0094 6.0131 6.0492 6.0510 6.0985 6.1015 8.2826 8.3243 8.3386 8.3803 9.0584 9.1416 9.1837 9.2081 9.2630 9.3222 10.4226 10.4309 10.5874 10.5901 k = 0.3780 0.5000 0.3780 ( 5968 PWs) bands (ev): -61.7430 -61.7430 -34.6551 -34.6551 -26.0019 -26.0019 -26.0016 -26.0016 -6.5222 -6.5187 -6.3804 -6.3584 -6.2906 -6.2694 -6.2581 -6.2579 1.1762 1.1805 1.2479 1.2562 1.2803 1.2921 1.4815 1.4942 2.4992 2.5023 2.5037 2.5069 2.6586 2.6591 2.6917 2.7007 2.7725 2.7731 2.8503 2.9275 2.9795 3.0629 3.0796 3.0828 3.9672 3.9678 4.0950 4.1373 4.1753 4.1848 4.2399 4.2543 4.2878 4.3287 4.3435 4.3799 4.4547 4.5034 4.5251 4.5852 4.6262 4.6347 4.7042 4.7144 4.8532 4.8632 4.8800 4.8896 5.9810 5.9850 6.0258 6.0272 6.0764 6.0795 8.2783 8.3217 8.3386 8.3820 9.0414 9.1313 9.1887 9.2142 9.2766 9.3407 10.4124 10.4192 10.6086 10.6093 k = 0.3659 0.5000 0.3659 ( 5984 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0019 -26.0019 -26.0016 -26.0016 -6.5356 -6.5319 -6.3811 -6.3545 -6.2911 -6.2651 -6.2520 -6.2519 1.1811 1.1849 1.2537 1.2615 1.2889 1.3013 1.5045 1.5199 2.4894 2.4929 2.4946 2.4984 2.6475 2.6475 2.6849 2.6963 2.7757 2.7765 2.8302 2.9127 2.9825 3.0727 3.0901 3.0917 3.9605 3.9607 4.0867 4.1279 4.1704 4.1779 4.2389 4.2564 4.2861 4.3300 4.3460 4.3813 4.4562 4.5027 4.5344 4.5911 4.6285 4.6395 4.7160 4.7252 4.8634 4.8737 4.8902 4.9099 5.9525 5.9566 6.0015 6.0023 6.0529 6.0557 8.2751 8.3194 8.3392 8.3835 9.0226 9.1182 9.1914 9.2177 9.2876 9.3564 10.4041 10.4090 10.6326 10.6336 k = 0.3537 0.5000 0.3537 ( 5976 PWs) bands (ev): -61.7430 -61.7430 -34.6551 -34.6551 -26.0019 -26.0019 -26.0015 -26.0015 -6.5495 -6.5458 -6.3823 -6.3512 -6.2910 -6.2603 -6.2455 -6.2453 1.1853 1.1879 1.2615 1.2677 1.2984 1.3115 1.5274 1.5459 2.4795 2.4835 2.4854 2.4899 2.6355 2.6360 2.6786 2.6921 2.7785 2.7810 2.8099 2.8956 2.9872 3.0832 3.1010 3.1013 3.9516 3.9526 4.0804 4.1202 4.1656 4.1713 4.2372 4.2584 4.2852 4.3311 4.3481 4.3815 4.4596 4.5027 4.5446 4.5972 4.6308 4.6442 4.7284 4.7361 4.8694 4.8875 4.8982 4.9319 5.9244 5.9286 5.9766 5.9769 6.0282 6.0303 8.2731 8.3176 8.3404 8.3852 9.0023 9.1024 9.1912 9.2180 9.2958 9.3690 10.3977 10.4006 10.6602 10.6627 k = 0.3415 0.5000 0.3415 ( 5964 PWs) bands (ev): -61.7430 -61.7430 -34.6551 -34.6551 -26.0018 -26.0018 -26.0013 -26.0013 -6.5639 -6.5601 -6.3841 -6.3489 -6.2900 -6.2549 -6.2384 -6.2382 1.1885 1.1892 1.2711 1.2750 1.3087 1.3225 1.5501 1.5716 2.4697 2.4740 2.4762 2.4815 2.6233 2.6244 2.6733 2.6880 2.7786 2.7860 2.7927 2.8770 2.9932 3.0944 3.1107 3.1131 3.9411 3.9431 4.0759 4.1140 4.1611 4.1651 4.2345 4.2601 4.2851 4.3320 4.3496 4.3805 4.4650 4.5035 4.5553 4.6035 4.6331 4.6486 4.7411 4.7468 4.8722 4.9033 4.9039 4.9553 5.8971 5.9013 5.9503 5.9525 6.0025 6.0032 8.2721 8.3165 8.3415 8.3876 8.9807 9.0838 9.1878 9.2147 9.3011 9.3783 10.3934 10.3940 10.6925 10.6960 k = 0.3293 0.5000 0.3293 ( 5968 PWs) bands (ev): -61.7430 -61.7430 -34.6551 -34.6551 -26.0018 -26.0018 -26.0012 -26.0012 -6.5787 -6.5750 -6.3863 -6.3479 -6.2877 -6.2491 -6.2310 -6.2307 1.1889 1.1904 1.2822 1.2833 1.3197 1.3341 1.5721 1.5967 2.4601 2.4645 2.4673 2.4733 2.6109 2.6126 2.6691 2.6835 2.7651 2.7901 2.7911 2.8576 2.9999 3.1061 3.1206 3.1253 3.9294 3.9321 4.0728 4.1092 4.1566 4.1592 4.2307 4.2614 4.2859 4.3326 4.3504 4.3786 4.4721 4.5051 4.5661 4.6100 4.6352 4.6524 4.7539 4.7575 4.8724 4.9074 4.9200 4.9795 5.8708 5.8749 5.9236 5.9288 5.9747 5.9763 8.2717 8.3164 8.3419 8.3911 8.9580 9.0626 9.1810 9.2078 9.3032 9.3844 10.3895 10.3909 10.7294 10.7337 k = 0.3171 0.5000 0.3171 ( 5960 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0018 -26.0017 -26.0011 -26.0011 -6.5938 -6.5901 -6.3891 -6.3483 -6.2841 -6.2429 -6.2232 -6.2228 1.1870 1.1909 1.2925 1.2946 1.3312 1.3464 1.5933 1.6208 2.4508 2.4553 2.4586 2.4654 2.5986 2.6009 2.6663 2.6775 2.7485 2.7935 2.7960 2.8380 3.0073 3.1183 3.1309 3.1380 3.9170 3.9202 4.0708 4.1057 4.1523 4.1540 4.2262 4.2624 4.2875 4.3331 4.3507 4.3760 4.4807 4.5075 4.5769 4.6168 4.6375 4.6558 4.7665 4.7681 4.8703 4.9084 4.9377 5.0044 5.8454 5.8494 5.8967 5.9062 5.9448 5.9503 8.2716 8.3175 8.3408 8.3964 8.9347 9.0390 9.1705 9.1973 9.3023 9.3874 10.3868 10.3902 10.7709 10.7756 k = 0.3049 0.5000 0.3049 ( 5968 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0017 -26.0017 -26.0010 -26.0010 -6.6091 -6.6056 -6.3922 -6.3501 -6.2792 -6.2362 -6.2151 -6.2146 1.1838 1.1899 1.3026 1.3077 1.3432 1.3590 1.6134 1.6436 2.4419 2.4463 2.4504 2.4578 2.5865 2.5893 2.6651 2.6683 2.7359 2.7979 2.7992 2.8203 3.0154 3.1311 3.1413 3.1512 3.9041 3.9075 4.0695 4.1030 4.1481 4.1495 4.2209 4.2630 4.2898 4.3334 4.3505 4.3731 4.4905 4.5106 4.5869 4.6238 4.6402 4.6586 4.7785 4.7787 4.8662 4.9070 4.9559 5.0298 5.8208 5.8243 5.8698 5.8854 5.9139 5.9253 8.2712 8.3203 8.3376 8.4038 8.9112 9.0132 9.1566 9.1832 9.2985 9.3876 10.3860 10.3910 10.8167 10.8216 k = 0.2927 0.5000 0.2927 ( 5966 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0017 -26.0017 -26.0009 -26.0009 -6.6246 -6.6212 -6.3958 -6.3532 -6.2731 -6.2293 -6.2066 -6.2062 1.1792 1.1874 1.3132 1.3213 1.3554 1.3719 1.6323 1.6649 2.4335 2.4377 2.4428 2.4507 2.5747 2.5780 2.6545 2.6654 2.7296 2.7916 2.8027 2.8141 3.0240 3.1445 3.1519 3.1647 3.8911 3.8944 4.0686 4.1008 4.1439 4.1459 4.2150 4.2631 4.2924 4.3335 4.3498 4.3702 4.5011 4.5143 4.5955 4.6313 4.6438 4.6611 4.7889 4.7899 4.8609 4.9032 4.9748 5.0555 5.7964 5.7984 5.8435 5.8669 5.8826 5.9023 8.2703 8.3250 8.3320 8.4133 8.8882 8.9859 9.1392 9.1658 9.2921 9.3852 10.3866 10.3929 10.8665 10.8712 k = 0.2805 0.5000 0.2805 ( 5970 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0016 -26.0016 -26.0008 -26.0008 -6.6401 -6.6369 -6.3997 -6.3572 -6.2661 -6.2220 -6.1980 -6.1974 1.1734 1.1833 1.3242 1.3348 1.3678 1.3848 1.6498 1.6844 2.4258 2.4297 2.4357 2.4441 2.5632 2.5670 2.6370 2.6666 2.7290 2.7751 2.8078 2.8181 3.0333 3.1583 3.1628 3.1786 3.8783 3.8810 4.0680 4.0988 4.1397 4.1432 4.2088 4.2628 4.2953 4.3336 4.3486 4.3675 4.5122 4.5183 4.6017 4.6390 4.6493 4.6632 4.7985 4.7992 4.8560 4.8974 4.9941 5.0813 5.7701 5.7715 5.8192 5.8502 5.8522 5.8818 8.2686 8.3240 8.3316 8.4248 8.8662 8.9573 9.1187 9.1453 9.2834 9.3806 10.3884 10.3956 10.9197 10.9239 k = 0.2683 0.5000 0.2683 ( 5976 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0016 -26.0016 -26.0007 -26.0007 -6.6555 -6.6525 -6.4039 -6.3620 -6.2584 -6.2145 -6.1892 -6.1886 1.1665 1.1778 1.3352 1.3481 1.3802 1.3976 1.6658 1.7019 2.4189 2.4222 2.4293 2.4380 2.5522 2.5563 2.6176 2.6678 2.7327 2.7595 2.8132 2.8239 3.0432 3.1723 3.1742 3.1929 3.8657 3.8677 4.0674 4.0967 4.1353 4.1415 4.2024 4.2619 4.2983 4.3338 4.3469 4.3653 4.5222 4.5236 4.6048 4.6470 4.6568 4.6653 4.8019 4.8093 4.8548 4.8898 5.0138 5.1070 5.7384 5.7452 5.7977 5.8214 5.8379 5.8645 8.2659 8.3133 8.3400 8.4379 8.8458 8.9281 9.0954 9.1220 9.2728 9.3741 10.3910 10.3987 10.9757 10.9791 k = 0.2561 0.5000 0.2561 ( 5976 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0016 -26.0016 -26.0006 -26.0006 -6.6709 -6.6681 -6.4083 -6.3673 -6.2502 -6.2068 -6.1802 -6.1795 1.1585 1.1709 1.3462 1.3609 1.3925 1.4101 1.6803 1.7173 2.4129 2.4155 2.4237 2.4326 2.5416 2.5462 2.5978 2.6670 2.7394 2.7482 2.8187 2.8301 3.0538 3.1845 3.1882 3.2077 3.8535 3.8545 4.0669 4.0946 4.1309 4.1407 4.1960 4.2604 4.3009 4.3343 4.3448 4.3637 4.5257 4.5348 4.6055 4.6551 4.6658 4.6677 4.7978 4.8190 4.8600 4.8811 5.0338 5.1326 5.7034 5.7164 5.7791 5.7939 5.8275 5.8502 8.2622 8.3001 8.3499 8.4525 8.8275 8.8989 9.0697 9.0962 9.2605 9.3658 10.3941 10.4019 11.0339 11.0361 k = 0.2439 0.5000 0.2439 ( 5984 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0015 -26.0015 -26.0005 -26.0005 -6.6861 -6.6836 -6.4129 -6.3731 -6.2416 -6.1990 -6.1712 -6.1704 1.1494 1.1627 1.3568 1.3728 1.4046 1.4221 1.6933 1.7307 2.4078 2.4095 2.4188 2.4278 2.5316 2.5365 2.5783 2.6617 2.7438 2.7483 2.8244 2.8364 3.0652 3.1959 3.2037 3.2228 3.8417 3.8417 4.0663 4.0923 4.1265 4.1407 4.1897 4.2582 4.3030 4.3352 4.3427 4.3626 4.5285 4.5452 4.6045 4.6625 4.6713 4.6753 4.7878 4.8270 4.8705 4.8729 5.0540 5.1578 5.6657 5.6846 5.7629 5.7697 5.8197 5.8390 8.2572 8.2843 8.3612 8.4683 8.8117 8.8704 9.0419 9.0682 9.2470 9.3562 10.3972 10.4046 11.0935 11.0942 k = 0.2317 0.5000 0.2317 ( 5978 PWs) bands (ev): -61.7430 -61.7430 -34.6549 -34.6549 -26.0015 -26.0015 -26.0004 -26.0004 -6.7011 -6.6987 -6.4176 -6.3791 -6.2328 -6.1912 -6.1621 -6.1613 1.1394 1.1533 1.3669 1.3837 1.4164 1.4336 1.7048 1.7420 2.4037 2.4042 2.4147 2.4236 2.5222 2.5273 2.5599 2.6514 2.7467 2.7588 2.8303 2.8429 3.0773 3.2074 3.2198 3.2383 3.8292 3.8305 4.0655 4.0900 4.1222 4.1412 4.1838 4.2554 4.3041 4.3368 4.3408 4.3620 4.5302 4.5537 4.6034 4.6678 4.6777 4.6841 4.7753 4.8305 4.8686 4.8841 5.0744 5.1825 5.6261 5.6500 5.7487 5.7491 5.8141 5.8306 8.2508 8.2661 8.3737 8.4851 8.7986 8.8432 9.0126 9.0386 9.2324 9.3455 10.3998 10.4066 11.1524 11.1536 k = 0.2195 0.5000 0.2195 ( 5980 PWs) bands (ev): -61.7430 -61.7430 -34.6549 -34.6549 -26.0015 -26.0014 -26.0003 -26.0003 -6.7157 -6.7136 -6.4224 -6.3854 -6.2238 -6.1834 -6.1531 -6.1523 1.1286 1.1428 1.3763 1.3933 1.4277 1.4444 1.7150 1.7514 2.3998 2.4005 2.4114 2.4202 2.5134 2.5187 2.5428 2.6381 2.7550 2.7705 2.8364 2.8494 3.0904 3.2189 3.2365 3.2542 3.8172 3.8197 4.0644 4.0877 4.1182 4.1421 4.1782 4.2519 4.3041 4.3391 4.3393 4.3617 4.5306 4.5584 4.6045 4.6717 4.6861 4.6906 4.7628 4.8261 4.8720 4.8993 5.0947 5.2063 5.5853 5.6131 5.7319 5.7364 5.8105 5.8245 8.2428 8.2457 8.3871 8.5026 8.7885 8.8180 8.9823 9.0076 9.2172 9.3338 10.4016 10.4075 11.2099 11.2134 k = 0.2073 0.5000 0.2073 ( 5980 PWs) bands (ev): -61.7430 -61.7430 -34.6549 -34.6549 -26.0014 -26.0014 -26.0002 -26.0002 -6.7300 -6.7281 -6.4271 -6.3917 -6.2147 -6.1757 -6.1441 -6.1433 1.1171 1.1315 1.3848 1.4016 1.4386 1.4544 1.7238 1.7589 2.3963 2.3984 2.4090 2.4174 2.5052 2.5105 2.5274 2.6234 2.7665 2.7829 2.8426 2.8559 3.1043 3.2306 3.2537 3.2706 3.8057 3.8095 4.0629 4.0855 4.1146 4.1433 4.1730 4.2479 4.3030 4.3383 4.3422 4.3616 4.5296 4.5575 4.6095 4.6754 4.6925 4.6948 4.7534 4.8163 4.8811 4.9155 5.1150 5.2290 5.5436 5.5747 5.7178 5.7261 5.8085 5.8204 8.2235 8.2329 8.4012 8.5207 8.7813 8.7955 8.9513 8.9758 9.2014 9.3212 10.4022 10.4070 11.2657 11.2719 k = 0.1951 0.5000 0.1951 ( 5976 PWs) bands (ev): -61.7430 -61.7430 -34.6549 -34.6549 -26.0014 -26.0014 -26.0001 -26.0000 -6.7438 -6.7421 -6.4318 -6.3981 -6.2057 -6.1681 -6.1353 -6.1344 1.1050 1.1193 1.3924 1.4085 1.4489 1.4637 1.7313 1.7648 2.3935 2.3971 2.4073 2.4153 2.4975 2.5026 2.5142 2.6088 2.7797 2.7957 2.8489 2.8624 3.1192 3.2423 3.2714 3.2872 3.7947 3.7997 4.0610 4.0836 4.1119 4.1445 4.1683 4.2435 4.3008 4.3379 4.3457 4.3618 4.5272 4.5516 4.6178 4.6795 4.6872 4.7030 4.7502 4.8052 4.8927 4.9322 5.1349 5.2501 5.5016 5.5354 5.7065 5.7180 5.8077 5.8178 8.1998 8.2209 8.4158 8.5389 8.7762 8.7767 8.9201 8.9435 9.1854 9.3081 10.4013 10.4049 11.3186 11.3279 k = 0.1829 0.5000 0.1829 ( 5988 PWs) bands (ev): -61.7430 -61.7430 -34.6549 -34.6549 -26.0014 -26.0013 -26.0000 -26.0000 -6.7571 -6.7556 -6.4364 -6.4045 -6.1967 -6.1607 -6.1267 -6.1258 1.0925 1.1065 1.3989 1.4140 1.4586 1.4721 1.7376 1.7692 2.3916 2.3967 2.4064 2.4140 2.4905 2.4946 2.5036 2.5947 2.7936 2.8085 2.8552 2.8687 3.1350 3.2541 3.2893 3.3042 3.7841 3.7903 4.0587 4.0818 4.1102 4.1456 4.1641 4.2388 4.2975 4.3380 4.3495 4.3620 4.5236 4.5424 4.6272 4.6761 4.6835 4.7094 4.7528 4.7953 4.9055 4.9489 5.1543 5.2692 5.4595 5.4958 5.6982 5.7124 5.8081 5.8166 8.1752 8.2068 8.4305 8.5570 8.7605 8.7745 8.8893 8.9115 9.1693 9.2944 10.3986 10.4010 11.3676 11.3802 k = 0.1707 0.5000 0.1707 ( 5964 PWs) bands (ev): -61.7430 -61.7430 -34.6548 -34.6548 -26.0013 -26.0013 -25.9998 -25.9998 -6.7698 -6.7685 -6.4409 -6.4108 -6.1878 -6.1536 -6.1183 -6.1174 1.0797 1.0934 1.4043 1.4183 1.4675 1.4797 1.7428 1.7723 2.3905 2.3971 2.4063 2.4133 2.4841 2.4862 2.4958 2.5817 2.8075 2.8210 2.8617 2.8750 3.1517 3.2659 3.3076 3.3216 3.7742 3.7814 4.0563 4.0804 4.1095 4.1466 4.1604 4.2342 4.2934 4.3386 4.3535 4.3623 4.5190 4.5313 4.6334 4.6654 4.6869 4.7131 4.7588 4.7891 4.9191 4.9654 5.1728 5.2858 5.4182 5.4563 5.6929 5.7096 5.8092 5.8163 8.1501 8.1906 8.4452 8.5743 8.7487 8.7744 8.8593 8.8803 9.1533 9.2802 10.3940 10.3952 11.4113 11.4275 k = 0.1585 0.5000 0.1585 ( 5968 PWs) bands (ev): -61.7430 -61.7430 -34.6548 -34.6548 -26.0013 -26.0012 -25.9997 -25.9997 -6.7820 -6.7808 -6.4451 -6.4170 -6.1792 -6.1469 -6.1102 -6.1094 1.0669 1.0800 1.4087 1.4213 1.4755 1.4864 1.7469 1.7742 2.3902 2.3979 2.4068 2.4132 2.4781 2.4783 2.4901 2.5698 2.8210 2.8330 2.8682 2.8810 3.1692 3.2776 3.3260 3.3390 3.7647 3.7727 4.0541 4.0793 4.1099 4.1475 4.1571 4.2297 4.2884 4.3394 4.3572 4.3624 4.5135 4.5188 4.6270 4.6660 4.6872 4.7147 4.7662 4.7882 4.9329 4.9811 5.1899 5.2984 5.3784 5.4173 5.6908 5.7098 5.8110 5.8166 8.1251 8.1724 8.4594 8.5901 8.7406 8.7760 8.8307 8.8508 9.1374 9.2656 10.3875 10.3876 11.4487 11.4684 k = 0.1463 0.5000 0.1463 ( 5988 PWs) bands (ev): -61.7430 -61.7430 -34.6548 -34.6548 -26.0013 -26.0012 -25.9997 -25.9997 -6.7934 -6.7924 -6.4492 -6.4230 -6.1708 -6.1405 -6.1025 -6.1017 1.0542 1.0666 1.4120 1.4233 1.4828 1.4924 1.7500 1.7751 2.3907 2.3990 2.4081 2.4137 2.4709 2.4731 2.4857 2.5592 2.8337 2.8442 2.8747 2.8868 3.1872 3.2892 3.3444 3.3566 3.7557 3.7642 4.0523 4.0786 4.1113 4.1481 4.1543 4.2254 4.2825 4.3403 4.3606 4.3624 4.5056 4.5075 4.6107 4.6761 4.6813 4.7176 4.7744 4.7924 4.9466 4.9958 5.2052 5.3031 5.3444 5.3791 5.6919 5.7132 5.8131 5.8175 8.1006 8.1527 8.4726 8.6033 8.7362 8.7788 8.8041 8.8245 9.1219 9.2507 10.3782 10.3791 11.4790 11.5017 k = 0.1341 0.5000 0.1341 ( 5984 PWs) bands (ev): -61.7430 -61.7430 -34.6548 -34.6548 -26.0012 -26.0012 -25.9996 -25.9996 -6.8041 -6.8033 -6.4529 -6.4288 -6.1628 -6.1345 -6.0952 -6.0944 1.0417 1.0534 1.4144 1.4244 1.4892 1.4976 1.7522 1.7751 2.3921 2.4004 2.4101 2.4148 2.4648 2.4685 2.4825 2.5499 2.8454 2.8544 2.8813 2.8924 3.2056 3.3005 3.3626 3.3741 3.7471 3.7559 4.0514 4.0782 4.1136 4.1487 4.1519 4.2217 4.2761 4.3410 4.3621 4.3638 4.4922 4.5012 4.5917 4.6693 4.6889 4.7235 4.7829 4.8001 4.9601 5.0092 5.2181 5.2848 5.3313 5.3424 5.6963 5.7198 5.8157 5.8187 8.0770 8.1319 8.4845 8.6122 8.7351 8.7804 8.7822 8.8032 9.1070 9.2354 10.3672 10.3689 11.5016 11.5264 k = 0.1220 0.5000 0.1220 ( 5986 PWs) bands (ev): -61.7430 -61.7430 -34.6548 -34.6548 -26.0012 -26.0012 -25.9995 -25.9995 -6.8140 -6.8133 -6.4564 -6.4343 -6.1551 -6.1290 -6.0883 -6.0876 1.0297 1.0406 1.4160 1.4247 1.4948 1.5020 1.7536 1.7744 2.3942 2.4018 2.4125 2.4161 2.4596 2.4644 2.4802 2.5417 2.8559 2.8635 2.8878 2.8976 3.2242 3.3115 3.3804 3.3913 3.7391 3.7478 4.0516 4.0781 4.1167 4.1492 4.1501 4.2184 4.2690 4.3411 4.3617 4.3667 4.4792 4.4948 4.5721 4.6537 4.7028 4.7313 4.7914 4.8098 4.9731 5.0213 5.2279 5.2515 5.3077 5.3315 5.7038 5.7292 5.8184 5.8201 8.0547 8.1104 8.4942 8.6148 8.7366 8.7606 8.7834 8.7913 9.0929 9.2200 10.3549 10.3572 11.5166 11.5422 k = 0.1098 0.5000 0.1098 ( 5986 PWs) bands (ev): -61.7430 -61.7430 -34.6548 -34.6548 -26.0012 -26.0012 -25.9994 -25.9994 -6.8231 -6.8225 -6.4595 -6.4395 -6.1478 -6.1241 -6.0819 -6.0812 1.0184 1.0283 1.4170 1.4243 1.4996 1.5058 1.7544 1.7730 2.3969 2.4033 2.4153 2.4178 2.4551 2.4609 2.4789 2.5346 2.8653 2.8715 2.8942 2.9026 3.2426 3.3219 3.3976 3.4080 3.7314 3.7398 4.0531 4.0784 4.1205 4.1488 4.1496 4.2156 4.2614 4.3399 4.3612 4.3690 4.4672 4.4884 4.5527 4.6361 4.7172 4.7403 4.8000 4.8204 4.9852 5.0318 5.2173 5.2323 5.2777 5.3315 5.7141 5.7411 5.8212 5.8215 8.0341 8.0888 8.5013 8.6100 8.7376 8.7480 8.7792 8.7930 9.0798 9.2043 10.3417 10.3444 11.5246 11.5498 k = 0.0976 0.5000 0.0976 ( 5988 PWs) bands (ev): -61.7431 -61.7431 -34.6547 -34.6547 -26.0011 -26.0011 -25.9994 -25.9994 -6.8314 -6.8309 -6.4622 -6.4443 -6.1410 -6.1197 -6.0761 -6.0755 1.0078 1.0168 1.4174 1.4236 1.5037 1.5089 1.7547 1.7712 2.4002 2.4048 2.4181 2.4196 2.4513 2.4579 2.4785 2.5284 2.8736 2.8784 2.9003 2.9071 3.2606 3.3317 3.4141 3.4241 3.7241 3.7319 4.0560 4.0791 4.1249 4.1482 4.1500 4.2132 4.2535 4.3362 4.3611 4.3710 4.4568 4.4821 4.5342 4.6173 4.7320 4.7501 4.8083 4.8314 4.9961 5.0407 5.1849 5.2229 5.2611 5.3294 5.7267 5.7546 5.8230 5.8241 8.0154 8.0676 8.5051 8.5985 8.7311 8.7501 8.7797 8.7968 9.0680 9.1884 10.3280 10.3310 11.5270 11.5505 k = 0.0854 0.5000 0.0854 ( 5984 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0011 -26.0011 -25.9993 -25.9993 -6.8388 -6.8384 -6.4645 -6.4488 -6.1347 -6.1159 -6.0709 -6.0703 0.9982 1.0061 1.4173 1.4226 1.5071 1.5115 1.7547 1.7691 2.4036 2.4063 2.4209 2.4217 2.4481 2.4555 2.4789 2.5230 2.8807 2.8842 2.9059 2.9113 3.2779 3.3405 3.4297 3.4392 3.7174 3.7243 4.0601 4.0801 4.1298 4.1485 4.1504 4.2112 4.2457 4.3295 4.3618 4.3725 4.4485 4.4761 4.5171 4.5980 4.7470 4.7605 4.8160 4.8422 5.0054 5.0479 5.1556 5.1991 5.2590 5.3253 5.7408 5.7690 5.8243 5.8270 7.9989 8.0472 8.5055 8.5826 8.7263 8.7572 8.7845 8.8003 9.0581 9.1724 10.3143 10.3173 11.5253 11.5463 k = 0.0732 0.5000 0.0732 ( 5980 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0011 -26.0011 -25.9992 -25.9992 -6.8452 -6.8449 -6.4665 -6.4529 -6.1290 -6.1127 -6.0662 -6.0657 0.9896 0.9965 1.4170 1.4213 1.5099 1.5136 1.7544 1.7668 2.4069 2.4077 2.4234 2.4240 2.4453 2.4536 2.4800 2.5182 2.8867 2.8892 2.9110 2.9150 3.2943 3.3482 3.4440 3.4530 3.7112 3.7171 4.0651 4.0814 4.1351 4.1497 4.1510 4.2092 4.2381 4.3196 4.3631 4.3736 4.4426 4.4703 4.5020 4.5785 4.7622 4.7712 4.8230 4.8523 5.0127 5.0531 5.1304 5.1731 5.2602 5.3195 5.7555 5.7833 5.8257 5.8299 7.9848 8.0282 8.5032 8.5650 8.7262 8.7656 8.7911 8.8030 9.0504 9.1563 10.3012 10.3040 11.5209 11.5390 k = 0.0610 0.5000 0.0610 ( 5982 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0011 -26.0011 -25.9992 -25.9992 -6.8507 -6.8505 -6.4679 -6.4566 -6.1239 -6.1102 -6.0622 -6.0618 0.9823 0.9880 1.4166 1.4200 1.5122 1.5151 1.7541 1.7645 2.4092 2.4097 2.4256 2.4264 2.4431 2.4520 2.4816 2.5139 2.8917 2.8934 2.9153 2.9182 3.3094 3.3545 3.4570 3.4652 3.7056 3.7104 4.0707 4.0828 4.1406 4.1516 4.1521 4.2070 4.2313 4.3071 4.3649 4.3744 4.4391 4.4650 4.4896 4.5592 4.7774 4.7820 4.8288 4.8609 5.0172 5.0562 5.1105 5.1489 5.2617 5.3124 5.7699 5.7964 5.8271 5.8328 7.9733 8.0107 8.4991 8.5474 8.7302 8.7745 8.7968 8.8053 9.0454 9.1403 10.2890 10.2916 11.5152 11.5303 k = 0.0488 0.5000 0.0488 ( 5988 PWs) bands (ev): -61.7431 -61.7431 -34.6547 -34.6547 -26.0011 -26.0011 -25.9991 -25.9991 -6.8552 -6.8551 -6.4690 -6.4599 -6.1194 -6.1084 -6.0589 -6.0586 0.9762 0.9808 1.4161 1.4188 1.5140 1.5163 1.7538 1.7622 2.4105 2.4119 2.4274 2.4290 2.4416 2.4507 2.4838 2.5099 2.8956 2.8967 2.9189 2.9208 3.3230 3.3592 3.4684 3.4755 3.7007 3.7043 4.0761 4.0843 4.1462 4.1525 4.1558 4.2043 4.2258 4.2928 4.3667 4.3747 4.4376 4.4600 4.4804 4.5406 4.7924 4.7925 4.8334 4.8673 5.0188 5.0565 5.0970 5.1281 5.2633 5.3047 5.7831 5.8072 5.8290 5.8357 7.9644 7.9952 8.4945 8.5311 8.7372 8.7833 8.7986 8.8084 9.0436 9.1245 10.2784 10.2806 11.5095 11.5216 k = 0.0366 0.5000 0.0366 ( 5974 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0010 -26.0010 -25.9991 -25.9991 -6.8588 -6.8586 -6.4695 -6.4627 -6.1156 -6.1072 -6.0563 -6.0561 0.9715 0.9750 1.4157 1.4177 1.5155 1.5171 1.7537 1.7600 2.4117 2.4133 2.4288 2.4310 2.4410 2.4495 2.4863 2.5061 2.8987 2.8994 2.9217 2.9229 3.3349 3.3622 3.4778 3.4836 3.6967 3.6993 4.0808 4.0858 4.1514 4.1537 4.1612 4.2008 4.2227 4.2774 4.3686 4.3748 4.4378 4.4555 4.4749 4.5231 4.8024 4.8068 4.8366 4.8703 5.0186 5.0534 5.0899 5.1119 5.2652 5.2969 5.7943 5.8141 5.8321 5.8383 7.9583 7.9819 8.4905 8.5169 8.7462 8.7917 8.7964 8.8116 9.0452 9.1092 10.2697 10.2714 11.5045 11.5136 k = 0.0244 0.5000 0.0244 ( 5962 PWs) bands (ev): -61.7430 -61.7430 -34.6547 -34.6547 -26.0010 -26.0010 -25.9991 -25.9990 -6.8613 -6.8612 -6.4696 -6.4650 -6.1124 -6.1068 -6.0544 -6.0543 0.9683 0.9706 1.4155 1.4168 1.5165 1.5176 1.7540 1.7582 2.4128 2.4141 2.4299 2.4321 2.4416 2.4483 2.4891 2.5024 2.9009 2.9012 2.9238 2.9244 3.3448 3.3631 3.4852 3.4893 3.6938 3.6954 4.0844 4.0870 4.1550 4.1551 4.1681 4.1962 4.2228 4.2620 4.3703 4.3745 4.4394 4.4515 4.4735 4.5073 4.8113 4.8190 4.8396 4.8692 5.0190 5.0466 5.0877 5.1010 5.2679 5.2893 5.8032 5.8167 5.8364 5.8406 7.9552 7.9711 8.4882 8.5052 8.7562 8.7916 8.7991 8.8131 9.0501 9.0944 10.2633 10.2645 11.5010 11.5071 k = 0.0122 0.5000 0.0122 ( 5942 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -26.0010 -26.0010 -25.9990 -25.9990 -6.8628 -6.8628 -6.4692 -6.4669 -6.1099 -6.1071 -6.0533 -6.0532 0.9666 0.9678 1.4154 1.4161 1.5173 1.5178 1.7545 1.7567 2.4136 2.4144 2.4308 2.4320 2.4432 2.4468 2.4922 2.4989 2.9022 2.9023 2.9250 2.9253 3.3527 3.3618 3.4902 3.4924 3.6921 3.6928 4.0867 4.0877 4.1562 4.1569 4.1761 4.1906 4.2270 4.2476 4.3719 4.3740 4.4418 4.4479 4.4763 4.4938 4.8187 4.8251 4.8456 4.8637 5.0223 5.0376 5.0883 5.0945 5.2716 5.2824 5.8098 5.8164 5.8400 5.8420 7.9549 7.9629 8.4882 8.4965 8.7664 8.7847 8.8052 8.8125 9.0580 9.0807 10.2595 10.2601 11.4994 11.5024 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -61.7430 -61.7430 -34.6546 -34.6546 -26.0010 -26.0010 -25.9990 -25.9990 -6.8633 -6.8633 -6.4683 -6.4683 -6.1081 -6.1081 -6.0528 -6.0528 0.9664 0.9664 1.4156 1.4156 1.5177 1.5177 1.7554 1.7554 2.4142 2.4142 2.4315 2.4315 2.4451 2.4451 2.4955 2.4955 2.9027 2.9027 2.9255 2.9255 3.3584 3.3584 3.4926 3.4926 3.6917 3.6917 4.0877 4.0877 4.1571 4.1571 4.1838 4.1838 4.2355 4.2355 4.3731 4.3731 4.4447 4.4447 4.4832 4.4832 4.8238 4.8238 4.8551 4.8551 5.0289 5.0289 5.0905 5.0905 5.2764 5.2764 5.8141 5.8141 5.8420 5.8420 7.9575 7.9575 8.4908 8.4908 8.7761 8.7761 8.8098 8.8098 9.0684 9.0684 10.2584 10.2584 11.4998 11.4998 k = 0.5000 0.5000-0.0000 ( 6024 PWs) bands (ev): -61.7431 -61.7431 -34.6550 -34.6550 -26.0021 -26.0021 -26.0002 -26.0002 -6.6044 -6.6044 -6.3800 -6.3800 -6.2954 -6.2954 -6.2048 -6.2048 1.1934 1.1934 1.4294 1.4294 1.4531 1.4531 2.0815 2.0815 2.3723 2.3723 2.4217 2.4217 2.4874 2.4874 2.5210 2.5210 2.5501 2.5501 2.8956 2.8956 2.9787 2.9787 3.0714 3.0714 3.8228 3.8228 4.1527 4.1527 4.1610 4.1610 4.1904 4.1904 4.3330 4.3330 4.3426 4.3426 4.3885 4.3885 4.7778 4.7778 4.8419 4.8419 4.8427 4.8427 4.8617 4.8617 4.9865 4.9865 5.4820 5.4820 5.4830 5.4830 5.9887 5.9887 8.3851 8.3851 8.5959 8.5959 8.6601 8.6601 9.2212 9.2212 9.2268 9.2268 11.1625 11.1625 11.1652 11.1652 k = 0.5000 0.5000 0.0172 ( 6016 PWs) bands (ev): -61.7431 -61.7431 -34.6550 -34.6550 -26.0021 -26.0021 -26.0001 -26.0001 -6.6041 -6.6041 -6.3799 -6.3799 -6.2954 -6.2954 -6.2050 -6.2050 1.1934 1.1934 1.4285 1.4285 1.4525 1.4525 2.0762 2.0762 2.3752 2.3752 2.4220 2.4220 2.4879 2.4879 2.5216 2.5216 2.5522 2.5522 2.8953 2.8953 2.9788 2.9788 3.0715 3.0715 3.8235 3.8235 4.1522 4.1522 4.1600 4.1600 4.1919 4.1919 4.3311 4.3311 4.3440 4.3440 4.3888 4.3888 4.7762 4.7762 4.8397 4.8397 4.8437 4.8437 4.8633 4.8633 4.9862 4.9862 5.4801 5.4801 5.4883 5.4883 5.9892 5.9892 8.3837 8.3837 8.5888 8.5888 8.6690 8.6690 9.2211 9.2211 9.2279 9.2279 11.1596 11.1596 11.1621 11.1621 k = 0.5000 0.5000 0.0345 ( 6000 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0021 -26.0021 -26.0001 -26.0001 -6.6031 -6.6031 -6.3799 -6.3799 -6.2953 -6.2953 -6.2055 -6.2055 1.1934 1.1934 1.4259 1.4259 1.4506 1.4506 2.0610 2.0610 2.3828 2.3828 2.4232 2.4232 2.4893 2.4893 2.5233 2.5233 2.5585 2.5585 2.8943 2.8943 2.9791 2.9791 3.0717 3.0717 3.8256 3.8256 4.1499 4.1499 4.1587 4.1587 4.1957 4.1957 4.3270 4.3270 4.3468 4.3468 4.3897 4.3897 4.7717 4.7717 4.8343 4.8343 4.8463 4.8463 4.8667 4.8667 4.9853 4.9853 5.4814 5.4814 5.4974 5.4974 5.9910 5.9910 8.3797 8.3797 8.5741 8.5741 8.6892 8.6892 9.2213 9.2213 9.2307 9.2307 11.1508 11.1508 11.1531 11.1531 k = 0.5000 0.5000 0.0517 ( 5992 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0020 -26.0020 -26.0002 -26.0002 -6.6014 -6.6014 -6.3797 -6.3797 -6.2952 -6.2952 -6.2062 -6.2062 1.1932 1.1932 1.4215 1.4215 1.4475 1.4475 2.0382 2.0382 2.3929 2.3929 2.4251 2.4251 2.4918 2.4918 2.5262 2.5262 2.5690 2.5690 2.8927 2.8927 2.9796 2.9796 3.0719 3.0719 3.8289 3.8289 4.1450 4.1450 4.1589 4.1589 4.2005 4.2005 4.3220 4.3220 4.3496 4.3496 4.3910 4.3910 4.7649 4.7649 4.8274 4.8274 4.8493 4.8493 4.8705 4.8705 4.9839 4.9839 5.4864 5.4864 5.5096 5.5096 5.9938 5.9938 8.3732 8.3732 8.5580 8.5580 8.7141 8.7141 9.2221 9.2221 9.2346 9.2346 11.1364 11.1364 11.1383 11.1383 k = 0.5000 0.5000 0.0690 ( 5988 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0020 -26.0020 -26.0002 -26.0002 -6.5991 -6.5991 -6.3796 -6.3796 -6.2951 -6.2951 -6.2073 -6.2073 1.1930 1.1930 1.4156 1.4156 1.4432 1.4432 2.0098 2.0098 2.4031 2.4031 2.4279 2.4279 2.4954 2.4954 2.5303 2.5303 2.5838 2.5838 2.8904 2.8904 2.9803 2.9803 3.0722 3.0722 3.8336 3.8336 4.1387 4.1387 4.1602 4.1602 4.2056 4.2056 4.3167 4.3167 4.3522 4.3522 4.3928 4.3928 4.7565 4.7565 4.8195 4.8195 4.8517 4.8517 4.8743 4.8743 4.9819 4.9819 5.4951 5.4951 5.5249 5.5249 5.9977 5.9977 8.3645 8.3645 8.5427 8.5427 8.7415 8.7415 9.2236 9.2236 9.2394 9.2394 11.1166 11.1166 11.1181 11.1181 k = 0.5000 0.5000 0.0862 ( 5988 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0020 -26.0020 -26.0002 -26.0002 -6.5962 -6.5962 -6.3794 -6.3794 -6.2949 -6.2949 -6.2088 -6.2088 1.1927 1.1927 1.4082 1.4082 1.4377 1.4377 1.9776 1.9776 2.4121 2.4121 2.4315 2.4315 2.5001 2.5001 2.5354 2.5354 2.6025 2.6025 2.8875 2.8875 2.9811 2.9811 3.0725 3.0725 3.8395 3.8395 4.1318 4.1318 4.1622 4.1622 4.2107 4.2107 4.3111 4.3111 4.3546 4.3546 4.3950 4.3950 4.7471 4.7471 4.8110 4.8110 4.8525 4.8525 4.8779 4.8779 4.9795 4.9795 5.5076 5.5076 5.5431 5.5431 6.0026 6.0026 8.3539 8.3539 8.5288 8.5288 8.7704 8.7704 9.2259 9.2259 9.2449 9.2449 11.0918 11.0918 11.0932 11.0932 k = 0.5000 0.5000 0.1034 ( 5980 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0020 -26.0020 -26.0003 -26.0003 -6.5926 -6.5926 -6.3791 -6.3791 -6.2946 -6.2946 -6.2105 -6.2105 1.1923 1.1923 1.3995 1.3995 1.4311 1.4311 1.9430 1.9430 2.4194 2.4194 2.4359 2.4359 2.5062 2.5062 2.5415 2.5415 2.6243 2.6243 2.8841 2.8841 2.9821 2.9821 3.0729 3.0729 3.8465 3.8465 4.1247 4.1247 4.1648 4.1648 4.2155 4.2155 4.3054 4.3054 4.3568 4.3568 4.3975 4.3975 4.7369 4.7369 4.8020 4.8020 4.8512 4.8512 4.8811 4.8811 4.9768 4.9768 5.5239 5.5239 5.5641 5.5641 6.0085 6.0085 8.3421 8.3421 8.5161 8.5161 8.8004 8.8004 9.2288 9.2288 9.2509 9.2509 11.0622 11.0622 11.0643 11.0643 k = 0.5000 0.5000 0.1207 ( 5976 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0020 -26.0020 -26.0003 -26.0003 -6.5885 -6.5885 -6.3788 -6.3788 -6.2943 -6.2943 -6.2125 -6.2125 1.1917 1.1917 1.3896 1.3896 1.4235 1.4235 1.9068 1.9068 2.4255 2.4255 2.4406 2.4406 2.5133 2.5133 2.5486 2.5486 2.6484 2.6484 2.8800 2.8800 2.9832 2.9832 3.0732 3.0732 3.8547 3.8547 4.1176 4.1176 4.1678 4.1678 4.2199 4.2199 4.2999 4.2999 4.3589 4.3589 4.4002 4.4002 4.7260 4.7260 4.7927 4.7927 4.8477 4.8477 4.8837 4.8837 4.9739 4.9739 5.5439 5.5439 5.5878 5.5878 6.0152 6.0152 8.3296 8.3296 8.5046 8.5046 8.8309 8.8309 9.2321 9.2321 9.2571 9.2571 11.0287 11.0287 11.0319 11.0319 k = 0.5000 0.5000 0.1379 ( 5984 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0020 -26.0020 -26.0005 -26.0005 -6.5837 -6.5837 -6.3785 -6.3785 -6.2940 -6.2940 -6.2148 -6.2148 1.1911 1.1911 1.3787 1.3787 1.4151 1.4151 1.8698 1.8698 2.4309 2.4309 2.4453 2.4453 2.5215 2.5215 2.5565 2.5565 2.6739 2.6739 2.8753 2.8753 2.9844 2.9844 3.0733 3.0733 3.8638 3.8638 4.1107 4.1107 4.1711 4.1711 4.2239 4.2239 4.2946 4.2946 4.3608 4.3608 4.4031 4.4031 4.7145 4.7145 4.7831 4.7831 4.8420 4.8420 4.8852 4.8852 4.9708 4.9708 5.5674 5.5674 5.6140 5.6140 6.0228 6.0228 8.3168 8.3168 8.4939 8.4939 8.8618 8.8618 9.2356 9.2356 9.2634 9.2634 10.9921 10.9921 10.9967 10.9967 k = 0.5000 0.5000 0.1552 ( 5996 PWs) bands (ev): -61.7430 -61.7430 -34.6550 -34.6550 -26.0021 -26.0021 -26.0005 -26.0005 -6.5785 -6.5785 -6.3782 -6.3782 -6.2937 -6.2937 -6.2175 -6.2175 1.1902 1.1902 1.3671 1.3671 1.4058 1.4058 1.8323 1.8323 2.4361 2.4361 2.4500 2.4500 2.5307 2.5307 2.5651 2.5651 2.7000 2.7000 2.8702 2.8702 2.9857 2.9857 3.0734 3.0734 3.8739 3.8739 4.1041 4.1041 4.1748 4.1748 4.2272 4.2272 4.2899 4.2899 4.3627 4.3627 4.4062 4.4062 4.7024 4.7024 4.7733 4.7733 4.8342 4.8342 4.8854 4.8854 4.9675 4.9675 5.5942 5.5942 5.6424 5.6424 6.0311 6.0311 8.3045 8.3045 8.4840 8.4840 8.8927 8.8927 9.2391 9.2391 9.2694 9.2694 10.9532 10.9532 10.9594 10.9594 k = 0.5000 0.5000 0.1724 ( 5996 PWs) bands (ev): -61.7430 -61.7430 -34.6551 -34.6551 -26.0021 -26.0021 -26.0006 -26.0006 -6.5727 -6.5727 -6.3779 -6.3779 -6.2933 -6.2933 -6.2204 -6.2204 1.1892 1.1892 1.3548 1.3548 1.3959 1.3959 1.7949 1.7949 2.4415 2.4415 2.4548 2.4548 2.5407 2.5407 2.5745 2.5745 2.7260 2.7260 2.8646 2.8646 2.9870 2.9870 3.0732 3.0732 3.8847 3.8847 4.0980 4.0980 4.1789 4.1789 4.2299 4.2299 4.2857 4.2857 4.3646 4.3646 4.4097 4.4097 4.6899 4.6899 4.7635 4.7635 4.8245 4.8245 4.8842 4.8842 4.9641 4.9641 5.6238 5.6238 5.6730 5.6730 6.0400 6.0400 8.2930 8.2930 8.4744 8.4744 8.9233 8.9233 9.2424 9.2424 9.2749 9.2749 10.9127 10.9127 10.9206 10.9206 k = 0.5000 0.5000 0.1897 ( 5988 PWs) bands (ev): -61.7430 -61.7430 -34.6551 -34.6551 -26.0021 -26.0021 -26.0007 -26.0007 -6.5664 -6.5664 -6.3776 -6.3776 -6.2929 -6.2929 -6.2236 -6.2236 1.1880 1.1880 1.3421 1.3421 1.3856 1.3856 1.7577 1.7577 2.4471 2.4471 2.4598 2.4598 2.5515 2.5515 2.5844 2.5844 2.7515 2.7515 2.8586 2.8586 2.9884 2.9884 3.0728 3.0728 3.8961 3.8961 4.0927 4.0927 4.1832 4.1832 4.2319 4.2319 4.2824 4.2824 4.3664 4.3664 4.4133 4.4133 4.6768 4.6768 4.7538 4.7538 4.8132 4.8132 4.8816 4.8816 4.9604 4.9604 5.6561 5.6561 5.7054 5.7054 6.0495 6.0495 8.2827 8.2827 8.4652 8.4652 8.9533 8.9533 9.2451 9.2451 9.2796 9.2796 10.8715 10.8715 10.8812 10.8812 k = 0.5000 0.5000 0.2069 ( 5988 PWs) bands (ev): -61.7430 -61.7430 -34.6551 -34.6551 -26.0021 -26.0021 -26.0008 -26.0008 -6.5597 -6.5597 -6.3773 -6.3773 -6.2925 -6.2925 -6.2271 -6.2271 1.1867 1.1867 1.3292 1.3292 1.3748 1.3748 1.7211 1.7211 2.4531 2.4531 2.4650 2.4650 2.5629 2.5629 2.5948 2.5948 2.7760 2.7760 2.8522 2.8522 2.9898 2.9898 3.0722 3.0722 3.9078 3.9078 4.0882 4.0882 4.1877 4.1877 4.2330 4.2330 4.2799 4.2799 4.3681 4.3681 4.4173 4.4173 4.6633 4.6633 4.7441 4.7441 4.8004 4.8004 4.8777 4.8777 4.9560 4.9560 5.6904 5.6904 5.7393 5.7393 6.0593 6.0593 8.2739 8.2739 8.4562 8.4562 8.9823 8.9823 9.2471 9.2471 9.2831 9.2831 10.8302 10.8302 10.8418 10.8418 k = 0.5000 0.5000 0.2241 ( 5984 PWs) bands (ev): -61.7430 -61.7430 -34.6551 -34.6551 -26.0021 -26.0021 -26.0009 -26.0009 -6.5525 -6.5525 -6.3771 -6.3771 -6.2921 -6.2921 -6.2308 -6.2308 1.1851 1.1851 1.3164 1.3164 1.3637 1.3637 1.6852 1.6852 2.4595 2.4595 2.4706 2.4706 2.5748 2.5748 2.6056 2.6056 2.7990 2.7990 2.8458 2.8458 2.9913 2.9913 3.0712 3.0712 3.9198 3.9198 4.0848 4.0848 4.1924 4.1924 4.2333 4.2333 4.2786 4.2786 4.3696 4.3696 4.4215 4.4215 4.6495 4.6495 4.7345 4.7345 4.7865 4.7865 4.8727 4.8727 4.9509 4.9509 5.7265 5.7265 5.7745 5.7745 6.0695 6.0695 8.2670 8.2670 8.4474 8.4474 9.0100 9.0100 9.2481 9.2481 9.2854 9.2854 10.7897 10.7897 10.8030 10.8030 k = 0.5000 0.5000 0.2414 ( 5972 PWs) bands (ev): -61.7430 -61.7430 -34.6551 -34.6551 -26.0021 -26.0021 -26.0010 -26.0010 -6.5450 -6.5450 -6.3769 -6.3769 -6.2917 -6.2917 -6.2347 -6.2347 1.1833 1.1833 1.3038 1.3038 1.3526 1.3526 1.6503 1.6503 2.4663 2.4663 2.4765 2.4765 2.5872 2.5872 2.6168 2.6168 2.8192 2.8192 2.8406 2.8406 2.9928 2.9928 3.0698 3.0698 3.9314 3.9314 4.0827 4.0827 4.1973 4.1973 4.2329 4.2329 4.2782 4.2782 4.3709 4.3709 4.4260 4.4260 4.6356 4.6356 4.7251 4.7251 4.7716 4.7716 4.8668 4.8668 4.9447 4.9447 5.7639 5.7639 5.8106 5.8106 6.0799 6.0799 8.2620 8.2620 8.4388 8.4388 9.0358 9.0358 9.2478 9.2478 9.2860 9.2860 10.7505 10.7505 10.7653 10.7653 k = 0.5000 0.5000 0.2586 ( 5972 PWs) bands (ev): -61.7430 -61.7430 -34.6551 -34.6551 -26.0021 -26.0021 -26.0011 -26.0011 -6.5372 -6.5372 -6.3767 -6.3767 -6.2913 -6.2913 -6.2389 -6.2389 1.1814 1.1814 1.2916 1.2916 1.3415 1.3415 1.6163 1.6163 2.4735 2.4735 2.4827 2.4827 2.5998 2.5998 2.6282 2.6282 2.8264 2.8264 2.8463 2.8463 2.9944 2.9944 3.0681 3.0681 3.9425 3.9425 4.0824 4.0824 4.2022 4.2022 4.2319 4.2319 4.2786 4.2786 4.3718 4.3718 4.4307 4.4307 4.6218 4.6218 4.7159 4.7159 4.7560 4.7560 4.8601 4.8601 4.9373 4.9373 5.8021 5.8021 5.8473 5.8473 6.0904 6.0904 8.2591 8.2591 8.4302 8.4302 9.0595 9.0595 9.2459 9.2459 9.2849 9.2849 10.7130 10.7130 10.7291 10.7291 k = 0.5000 0.5000 0.2759 ( 5972 PWs) bands (ev): -61.7430 -61.7430 -34.6551 -34.6551 -26.0021 -26.0021 -26.0012 -26.0012 -6.5292 -6.5292 -6.3767 -6.3767 -6.2909 -6.2909 -6.2433 -6.2433 1.1792 1.1792 1.2801 1.2801 1.3306 1.3306 1.5836 1.5836 2.4811 2.4811 2.4893 2.4893 2.6125 2.6125 2.6397 2.6397 2.8208 2.8208 2.8628 2.8628 2.9961 2.9961 3.0660 3.0660 3.9525 3.9525 4.0841 4.0841 4.2070 4.2070 4.2307 4.2307 4.2797 4.2797 4.3722 4.3722 4.4356 4.4356 4.6082 4.6082 4.7069 4.7069 4.7401 4.7401 4.8530 4.8530 4.9286 4.9286 5.8406 5.8406 5.8841 5.8841 6.1009 6.1009 8.2584 8.2584 8.4219 8.4219 9.0804 9.0804 9.2425 9.2425 9.2819 9.2819 10.6777 10.6777 10.6944 10.6944 k = 0.5000 0.5000 0.2931 ( 5984 PWs) bands (ev): -61.7430 -61.7430 -34.6551 -34.6551 -26.0021 -26.0021 -26.0013 -26.0013 -6.5209 -6.5209 -6.3768 -6.3768 -6.2904 -6.2904 -6.2478 -6.2478 1.1767 1.1767 1.2696 1.2696 1.3199 1.3199 1.5522 1.5522 2.4889 2.4889 2.4961 2.4961 2.6252 2.6252 2.6513 2.6513 2.8136 2.8136 2.8789 2.8789 2.9979 2.9979 3.0635 3.0635 3.9610 3.9610 4.0881 4.0881 4.2118 4.2118 4.2293 4.2293 4.2813 4.2813 4.3721 4.3721 4.4406 4.4406 4.5951 4.5951 4.6981 4.6981 4.7241 4.7241 4.8454 4.8454 4.9185 4.9185 5.8790 5.8790 5.9206 5.9206 6.1112 6.1112 8.2598 8.2598 8.4138 8.4138 9.0984 9.0984 9.2374 9.2374 9.2770 9.2770 10.6445 10.6445 10.6618 10.6618 k = 0.5000 0.5000 0.3103 ( 5988 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0021 -26.0021 -26.0015 -26.0015 -6.5125 -6.5125 -6.3771 -6.3771 -6.2900 -6.2900 -6.2524 -6.2524 1.1739 1.1739 1.2603 1.2603 1.3097 1.3097 1.5222 1.5222 2.4970 2.4970 2.5032 2.5032 2.6378 2.6378 2.6627 2.6627 2.8062 2.8062 2.8932 2.8932 3.0001 3.0001 3.0607 3.0607 3.9679 3.9679 4.0947 4.0947 4.2164 4.2164 4.2281 4.2281 4.2834 4.2834 4.3712 4.3712 4.4458 4.4458 4.5828 4.5828 4.6894 4.6894 4.7087 4.7087 4.8378 4.8378 4.9071 4.9071 5.9168 5.9168 5.9563 5.9563 6.1214 6.1214 8.2632 8.2632 8.4060 8.4060 9.1130 9.1130 9.2307 9.2307 9.2702 9.2702 10.6138 10.6138 10.6322 10.6322 k = 0.5000 0.5000 0.3276 ( 5980 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0021 -26.0021 -26.0015 -26.0015 -6.5041 -6.5041 -6.3775 -6.3775 -6.2897 -6.2897 -6.2570 -6.2570 1.1707 1.1707 1.2524 1.2524 1.2999 1.2999 1.4938 1.4938 2.5052 2.5052 2.5103 2.5103 2.6500 2.6500 2.6740 2.6740 2.7988 2.7988 2.9054 2.9054 3.0025 3.0025 3.0575 3.0575 3.9731 3.9731 4.1036 4.1036 4.2207 4.2207 4.2270 4.2270 4.2859 4.2859 4.3695 4.3695 4.4510 4.4510 4.5717 4.5717 4.6802 4.6802 4.6944 4.6944 4.8301 4.8301 4.8945 4.8945 5.9535 5.9535 5.9908 5.9908 6.1313 6.1313 8.2686 8.2686 8.3986 8.3986 9.1241 9.1241 9.2225 9.2225 9.2616 9.2616 10.5861 10.5861 10.6062 10.6062 k = 0.5000 0.5000 0.3448 ( 5980 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0021 -26.0021 -26.0016 -26.0016 -6.4956 -6.4956 -6.3781 -6.3781 -6.2893 -6.2893 -6.2616 -6.2616 1.1671 1.1671 1.2461 1.2461 1.2908 1.2908 1.4669 1.4669 2.5133 2.5133 2.5175 2.5175 2.6617 2.6617 2.6847 2.6847 2.7917 2.7917 2.9154 2.9154 3.0053 3.0053 3.0540 3.0540 3.9767 3.9767 4.1146 4.1146 4.2247 4.2247 4.2261 4.2261 4.2887 4.2887 4.3668 4.3668 4.4561 4.4561 4.5619 4.5619 4.6698 4.6698 4.6825 4.6825 4.8226 4.8226 4.8809 4.8809 5.9887 5.9887 6.0236 6.0236 6.1410 6.1410 8.2757 8.2757 8.3915 8.3915 9.1318 9.1318 9.2131 9.2131 9.2516 9.2516 10.5623 10.5623 10.5842 10.5842 k = 0.5000 0.5000 0.3621 ( 5972 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0021 -26.0021 -26.0017 -26.0017 -6.4872 -6.4872 -6.3789 -6.3789 -6.2890 -6.2890 -6.2662 -6.2662 1.1633 1.1633 1.2416 1.2416 1.2824 1.2824 1.4418 1.4418 2.5213 2.5213 2.5246 2.5246 2.6728 2.6728 2.6948 2.6948 2.7852 2.7852 2.9234 2.9234 3.0085 3.0085 3.0504 3.0504 3.9790 3.9790 4.1271 4.1271 4.2252 4.2252 4.2286 4.2286 4.2918 4.2918 4.3629 4.3629 4.4612 4.4612 4.5536 4.5536 4.6581 4.6581 4.6734 4.6734 4.8153 4.8153 4.8667 4.8667 6.0218 6.0218 6.0542 6.0542 6.1503 6.1503 8.2840 8.2840 8.3850 8.3850 9.1364 9.1364 9.2028 9.2028 9.2402 9.2402 10.5429 10.5429 10.5659 10.5659 k = 0.5000 0.5000 0.3793 ( 5964 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0020 -26.0020 -26.0018 -26.0018 -6.4790 -6.4790 -6.3801 -6.3801 -6.2887 -6.2887 -6.2705 -6.2705 1.1592 1.1592 1.2388 1.2388 1.2748 1.2748 1.4185 1.4185 2.5288 2.5288 2.5315 2.5315 2.6830 2.6830 2.7038 2.7038 2.7796 2.7796 2.9293 2.9293 3.0120 3.0120 3.0466 3.0466 3.9805 3.9805 4.1406 4.1406 4.2247 4.2247 4.2318 4.2318 4.2950 4.2950 4.3578 4.3578 4.4661 4.4661 4.5466 4.5466 4.6466 4.6466 4.6661 4.6661 4.8085 4.8085 4.8520 4.8520 6.0524 6.0524 6.0818 6.0818 6.1594 6.1594 8.2934 8.2934 8.3789 8.3789 9.1384 9.1384 9.1921 9.1921 9.2278 9.2278 10.5281 10.5281 10.5509 10.5509 k = 0.5000 0.5000 0.3966 ( 5956 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0020 -26.0020 -26.0018 -26.0018 -6.4712 -6.4712 -6.3814 -6.3814 -6.2884 -6.2884 -6.2746 -6.2746 1.1551 1.1551 1.2377 1.2377 1.2680 1.2680 1.3971 1.3971 2.5359 2.5359 2.5380 2.5380 2.6922 2.6922 2.7111 2.7111 2.7753 2.7753 2.9336 2.9336 3.0155 3.0155 3.0428 3.0428 3.9813 3.9813 4.1545 4.1545 4.2243 4.2243 4.2347 4.2347 4.2982 4.2982 4.3516 4.3516 4.4710 4.4710 4.5407 4.5407 4.6367 4.6367 4.6597 4.6597 4.8022 4.8022 4.8373 4.8373 6.0800 6.0800 6.1058 6.1058 6.1685 6.1685 8.3032 8.3032 8.3734 8.3734 9.1383 9.1383 9.1814 9.1814 9.2149 9.2149 10.5176 10.5176 10.5388 10.5388 k = 0.5000 0.5000 0.4138 ( 5956 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0020 -26.0020 -26.0019 -26.0019 -6.4638 -6.4638 -6.3830 -6.3830 -6.2881 -6.2881 -6.2783 -6.2783 1.1512 1.1512 1.2380 1.2380 1.2622 1.2622 1.3778 1.3778 2.5423 2.5423 2.5440 2.5440 2.7002 2.7002 2.7163 2.7163 2.7727 2.7727 2.9365 2.9365 3.0188 3.0188 3.0392 3.0392 3.9817 3.9817 4.1684 4.1684 4.2241 4.2241 4.2370 4.2370 4.3013 4.3013 4.3445 4.3445 4.4760 4.4760 4.5354 4.5354 4.6288 4.6288 4.6541 4.6541 4.7966 4.7966 4.8232 4.8232 6.1042 6.1042 6.1255 6.1255 6.1777 6.1777 8.3131 8.3131 8.3684 8.3684 9.1371 9.1371 9.1714 9.1714 9.2017 9.2017 10.5109 10.5109 10.5294 10.5294 k = 0.5000 0.5000 0.4310 ( 5956 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0020 -26.0020 -26.0019 -26.0019 -6.4570 -6.4570 -6.3848 -6.3848 -6.2879 -6.2879 -6.2815 -6.2815 1.1477 1.1477 1.2396 1.2396 1.2573 1.2573 1.3608 1.3608 2.5479 2.5479 2.5491 2.5491 2.7071 2.7071 2.7193 2.7193 2.7720 2.7720 2.9384 2.9384 3.0219 3.0219 3.0358 3.0358 3.9819 3.9819 4.1817 4.1817 4.2238 4.2238 4.2390 4.2390 4.3043 4.3043 4.3369 4.3369 4.4811 4.4811 4.5301 4.5301 4.6236 4.6236 4.6490 4.6490 4.7917 4.7917 4.8103 4.8103 6.1245 6.1245 6.1404 6.1404 6.1871 6.1871 8.3225 8.3225 8.3640 8.3640 9.1355 9.1355 9.1626 9.1626 9.1890 9.1890 10.5071 10.5071 10.5221 10.5221 k = 0.5000 0.5000 0.4483 ( 5956 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0020 -26.0020 -26.0020 -26.0020 -6.4512 -6.4512 -6.3867 -6.3867 -6.2878 -6.2878 -6.2841 -6.2841 1.1448 1.1448 1.2421 1.2421 1.2535 1.2535 1.3465 1.3465 2.5525 2.5525 2.5533 2.5533 2.7125 2.7125 2.7204 2.7204 2.7727 2.7727 2.9395 2.9395 3.0244 3.0244 3.0330 3.0330 3.9820 3.9820 4.1939 4.1939 4.2234 4.2234 4.2404 4.2404 4.3069 4.3069 4.3293 4.3293 4.4865 4.4865 4.5244 4.5244 4.6210 4.6210 4.6444 4.6444 4.7878 4.7878 4.7992 4.7992 6.1408 6.1408 6.1508 6.1508 6.1961 6.1961 8.3310 8.3310 8.3601 8.3601 9.1340 9.1340 9.1557 9.1557 9.1771 9.1771 10.5055 10.5055 10.5166 10.5166 k = 0.5000 0.5000 0.4655 ( 5956 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0020 -26.0020 -26.0020 -26.0020 -6.4466 -6.4466 -6.3884 -6.3884 -6.2877 -6.2877 -6.2860 -6.2860 1.1427 1.1427 1.2448 1.2448 1.2507 1.2507 1.3353 1.3353 2.5560 2.5560 2.5564 2.5564 2.7165 2.7165 2.7203 2.7203 2.7741 2.7741 2.9401 2.9401 3.0263 3.0263 3.0308 3.0308 3.9820 3.9820 4.2044 4.2044 4.2226 4.2226 4.2415 4.2415 4.3091 4.3091 4.3224 4.3224 4.4923 4.4923 4.5181 4.5181 4.6205 4.6205 4.6403 4.6403 4.7850 4.7850 4.7906 4.7906 6.1526 6.1526 6.1574 6.1574 6.2036 6.2036 8.3383 8.3383 8.3565 8.3565 9.1329 9.1329 9.1514 9.1514 9.1668 9.1668 10.5054 10.5054 10.5126 10.5126 k = 0.5000 0.5000 0.4828 ( 5956 PWs) bands (ev): -61.7430 -61.7430 -34.6552 -34.6552 -26.0020 -26.0020 -26.0020 -26.0020 -6.4436 -6.4436 -6.3896 -6.3896 -6.2876 -6.2876 -6.2872 -6.2872 1.1413 1.1413 1.2470 1.2470 1.2490 1.2490 1.3280 1.3280 2.5581 2.5581 2.5583 2.5583 2.7189 2.7189 2.7199 2.7199 2.7752 2.7752 2.9404 2.9404 3.0276 3.0276 3.0293 3.0293 3.9820 3.9820 4.2125 4.2125 4.2210 4.2210 4.2421 4.2421 4.3111 4.3111 4.3170 4.3170 4.4985 4.4985 4.5116 4.5116 4.6212 4.6212 4.6372 4.6372 4.7833 4.7833 4.7851 4.7851 6.1598 6.1598 6.1610 6.1610 6.2085 6.2085 8.3443 8.3443 8.3530 8.3530 9.1322 9.1322 9.1503 9.1503 9.1585 9.1585 10.5061 10.5061 10.5097 10.5097 k = 0.5000 0.5000 0.5000 ( 6008 PWs) bands (ev): -61.7430 -61.7430 -34.6553 -34.6553 -26.0021 -26.0021 -26.0021 -26.0021 -6.4425 -6.4425 -6.3900 -6.3900 -6.2876 -6.2876 -6.2876 -6.2876 1.1409 1.1409 1.2481 1.2481 1.2481 1.2481 1.3254 1.3254 2.5588 2.5588 2.5588 2.5588 2.7197 2.7197 2.7197 2.7197 2.7756 2.7756 2.9405 2.9405 3.0284 3.0284 3.0284 3.0284 3.9818 3.9818 4.2178 4.2178 4.2178 4.2178 4.2421 4.2421 4.3133 4.3133 4.3133 4.3133 4.5049 4.5049 4.5049 4.5049 4.6217 4.6217 4.6360 4.6360 4.7828 4.7828 4.7828 4.7828 6.1621 6.1621 6.1621 6.1621 6.2101 6.2101 8.3490 8.3490 8.3490 8.3490 9.1319 9.1319 9.1528 9.1528 9.1528 9.1528 10.5075 10.5075 10.5075 10.5075 Writing output data file TaCu3S4.save init_run : 3.48s CPU 13.94s WALL ( 1 calls) electrons : 1310.37s CPU 1323.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.39s CPU 1.44s WALL ( 1 calls) Called by electrons: c_bands : 1310.31s CPU 1322.70s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.82s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.14s CPU 0.51s WALL ( 1 calls) newd : 0.80s CPU 0.84s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.27s WALL ( 225 calls) cegterg : 1252.55s CPU 1262.23s WALL ( 625 calls) Called by sum_band: Called by *egterg: h_psi : 393.17s CPU 401.14s WALL ( 10988 calls) s_psi : 83.22s CPU 83.70s WALL ( 10988 calls) g_psi : 1.06s CPU 1.08s WALL ( 10138 calls) cdiaghg : 600.38s CPU 598.86s WALL ( 10363 calls) cegterg:over : 101.76s CPU 99.27s WALL ( 10138 calls) cegterg:upda : 32.71s CPU 35.08s WALL ( 10138 calls) cegterg:last : 23.77s CPU 24.15s WALL ( 1392 calls) Called by h_psi: h_psi:vloc : 244.59s CPU 250.25s WALL ( 10988 calls) h_psi:vnl : 147.98s CPU 149.78s WALL ( 10988 calls) add_vuspsi : 61.90s CPU 65.00s WALL ( 10988 calls) General routines calbec : 86.02s CPU 84.68s WALL ( 10988 calls) fft : 0.43s CPU 1.22s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 232.15s CPU 235.08s WALL ( 1371160 calls) interpolate : 0.12s CPU 0.14s WALL ( 4 calls) davcio : 0.02s CPU 1.77s WALL ( 450 calls) Parallel routines fft_scatter : 154.82s CPU 153.69s WALL ( 1371183 calls) PWSCF : 22m56.73s CPU 25m 3.08s WALL This run was terminated on: 21:13:39 31Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=