Program PWSCF v.5.1.1 starts on 30Oct2015 at 7:11:14 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 48 33 9 1758 1008 155 Max 49 34 10 1763 1028 160 Sum 2337 1617 473 84439 48885 7521 bravais-lattice index = 14 lattice parameter (alat) = 10.5046 a.u. unit-cell volume = 1159.1500 (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)= 10.504609 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= 222 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 2) = ( 0.0000000 0.0172414 -0.0000000), wk = 0.0045045 k( 3) = ( 0.0000000 0.0344828 -0.0000000), wk = 0.0045045 k( 4) = ( 0.0000000 0.0517241 -0.0000000), wk = 0.0045045 k( 5) = ( 0.0000000 0.0689655 -0.0000000), wk = 0.0045045 k( 6) = ( 0.0000000 0.0862069 -0.0000000), wk = 0.0045045 k( 7) = ( 0.0000000 0.1034483 -0.0000000), wk = 0.0045045 k( 8) = ( 0.0000000 0.1206897 -0.0000000), wk = 0.0045045 k( 9) = ( 0.0000000 0.1379310 -0.0000000), wk = 0.0045045 k( 10) = ( 0.0000000 0.1551724 -0.0000000), wk = 0.0045045 k( 11) = ( 0.0000000 0.1724138 -0.0000000), wk = 0.0045045 k( 12) = ( 0.0000000 0.1896552 -0.0000000), wk = 0.0045045 k( 13) = ( 0.0000000 0.2068966 -0.0000000), wk = 0.0045045 k( 14) = ( 0.0000000 0.2241379 -0.0000000), wk = 0.0045045 k( 15) = ( 0.0000000 0.2413793 -0.0000000), wk = 0.0045045 k( 16) = ( 0.0000000 0.2586207 -0.0000000), wk = 0.0045045 k( 17) = ( 0.0000000 0.2758621 -0.0000000), wk = 0.0045045 k( 18) = ( 0.0000000 0.2931034 -0.0000000), wk = 0.0045045 k( 19) = ( 0.0000000 0.3103448 -0.0000000), wk = 0.0045045 k( 20) = ( 0.0000000 0.3275862 -0.0000000), wk = 0.0045045 k( 21) = ( 0.0000000 0.3448276 -0.0000000), wk = 0.0045045 k( 22) = ( 0.0000000 0.3620690 -0.0000000), wk = 0.0045045 k( 23) = ( 0.0000000 0.3793103 -0.0000000), wk = 0.0045045 k( 24) = ( 0.0000000 0.3965517 -0.0000000), wk = 0.0045045 k( 25) = ( 0.0000000 0.4137931 -0.0000000), wk = 0.0045045 k( 26) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0045045 k( 27) = ( 0.0000000 0.4482759 -0.0000000), wk = 0.0045045 k( 28) = ( 0.0000000 0.4655172 -0.0000000), wk = 0.0045045 k( 29) = ( 0.0000000 0.4827586 -0.0000000), wk = 0.0045045 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045045 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045045 k( 32) = ( 0.0172414 0.5000000 -0.0000000), wk = 0.0045045 k( 33) = ( 0.0344828 0.5000000 -0.0000000), wk = 0.0045045 k( 34) = ( 0.0517241 0.5000000 -0.0000000), wk = 0.0045045 k( 35) = ( 0.0689655 0.5000000 -0.0000000), wk = 0.0045045 k( 36) = ( 0.0862069 0.5000000 -0.0000000), wk = 0.0045045 k( 37) = ( 0.1034483 0.5000000 -0.0000000), wk = 0.0045045 k( 38) = ( 0.1206897 0.5000000 -0.0000000), wk = 0.0045045 k( 39) = ( 0.1379310 0.5000000 -0.0000000), wk = 0.0045045 k( 40) = ( 0.1551724 0.5000000 -0.0000000), wk = 0.0045045 k( 41) = ( 0.1724138 0.5000000 -0.0000000), wk = 0.0045045 k( 42) = ( 0.1896552 0.5000000 -0.0000000), wk = 0.0045045 k( 43) = ( 0.2068966 0.5000000 -0.0000000), wk = 0.0045045 k( 44) = ( 0.2241379 0.5000000 -0.0000000), wk = 0.0045045 k( 45) = ( 0.2413793 0.5000000 -0.0000000), wk = 0.0045045 k( 46) = ( 0.2586207 0.5000000 -0.0000000), wk = 0.0045045 k( 47) = ( 0.2758621 0.5000000 -0.0000000), wk = 0.0045045 k( 48) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0045045 k( 49) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0045045 k( 50) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0045045 k( 51) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0045045 k( 52) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0045045 k( 53) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0045045 k( 54) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0045045 k( 55) = ( 0.4137931 0.5000000 -0.0000000), wk = 0.0045045 k( 56) = ( 0.4310345 0.5000000 -0.0000000), wk = 0.0045045 k( 57) = ( 0.4482759 0.5000000 -0.0000000), wk = 0.0045045 k( 58) = ( 0.4655172 0.5000000 -0.0000000), wk = 0.0045045 k( 59) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0045045 k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045045 k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045045 k( 62) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0045045 k( 63) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0045045 k( 64) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0045045 k( 65) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0045045 k( 66) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0045045 k( 67) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0045045 k( 68) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0045045 k( 69) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0045045 k( 70) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0045045 k( 71) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0045045 k( 72) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0045045 k( 73) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0045045 k( 74) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0045045 k( 75) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0045045 k( 76) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0045045 k( 77) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0045045 k( 78) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0045045 k( 79) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0045045 k( 80) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0045045 k( 81) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0045045 k( 82) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0045045 k( 83) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0045045 k( 84) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0045045 k( 85) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0045045 k( 86) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0045045 k( 87) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0045045 k( 88) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0045045 k( 89) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0045045 k( 90) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0045045 k( 91) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0045045 k( 92) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0045045 k( 93) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0045045 k( 94) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0045045 k( 95) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0045045 k( 96) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0045045 k( 97) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0045045 k( 98) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0045045 k( 99) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0045045 k( 100) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0045045 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 103) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0045045 k( 104) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0045045 k( 105) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0045045 k( 106) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0045045 k( 107) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0045045 k( 108) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0045045 k( 109) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045045 k( 110) = ( 0.0816327 0.0816326 0.0816326), wk = 0.0045045 k( 111) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0045045 k( 112) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0045045 k( 113) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0045045 k( 114) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0045045 k( 115) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0045045 k( 116) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045045 k( 117) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0045045 k( 118) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0045045 k( 119) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0045045 k( 120) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0045045 k( 121) = ( 0.1938776 0.1938775 0.1938775), wk = 0.0045045 k( 122) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0045045 k( 123) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045045 k( 124) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0045045 k( 125) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0045045 k( 126) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0045045 k( 127) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0045045 k( 128) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0045045 k( 129) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0045045 k( 130) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045045 k( 131) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0045045 k( 132) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0045045 k( 133) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0045045 k( 134) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0045045 k( 135) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0045045 k( 136) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0045045 k( 137) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045045 k( 138) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0045045 k( 139) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0045045 k( 140) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0045045 k( 141) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0045045 k( 142) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0045045 k( 143) = ( 0.4183674 0.4183673 0.4183673), wk = 0.0045045 k( 144) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045045 k( 145) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0045045 k( 146) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0045045 k( 147) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0045045 k( 148) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0045045 k( 149) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0045045 k( 150) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0045045 k( 151) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045045 k( 152) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045045 k( 153) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045045 k( 154) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045045 k( 155) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045045 k( 156) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045045 k( 157) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045045 k( 158) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045045 k( 159) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045045 k( 160) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045045 k( 161) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045045 k( 162) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045045 k( 163) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045045 k( 164) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045045 k( 165) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045045 k( 166) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045045 k( 167) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045045 k( 168) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045045 k( 169) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045045 k( 170) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045045 k( 171) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045045 k( 172) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045045 k( 173) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045045 k( 174) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045045 k( 175) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045045 k( 176) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045045 k( 177) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045045 k( 178) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045045 k( 179) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045045 k( 180) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045045 k( 181) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045045 k( 182) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045045 k( 183) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045045 k( 184) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045045 k( 185) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045045 k( 186) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045045 k( 187) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045045 k( 188) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045045 k( 189) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045045 k( 190) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045045 k( 191) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045045 k( 192) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045045 k( 193) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045045 k( 194) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0045045 k( 195) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0045045 k( 196) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0045045 k( 197) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0045045 k( 198) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0045045 k( 199) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0045045 k( 200) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0045045 k( 201) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0045045 k( 202) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0045045 k( 203) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0045045 k( 204) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0045045 k( 205) = ( 0.5000000 0.5000000 0.2068965), wk = 0.0045045 k( 206) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0045045 k( 207) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0045045 k( 208) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0045045 k( 209) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0045045 k( 210) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0045045 k( 211) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0045045 k( 212) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0045045 k( 213) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0045045 k( 214) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0045045 k( 215) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0045045 k( 216) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0045045 k( 217) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0045045 k( 218) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0045045 k( 219) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0045045 k( 220) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0045045 k( 221) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0045045 k( 222) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045045 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 2) = ( 0.0000000 0.0172414 0.0000000), wk = 0.0045045 k( 3) = ( 0.0000000 0.0344828 0.0000000), wk = 0.0045045 k( 4) = ( 0.0000000 0.0517241 0.0000000), wk = 0.0045045 k( 5) = ( 0.0000000 0.0689655 0.0000000), wk = 0.0045045 k( 6) = ( 0.0000000 0.0862069 0.0000000), wk = 0.0045045 k( 7) = ( 0.0000000 0.1034483 0.0000000), wk = 0.0045045 k( 8) = ( 0.0000000 0.1206897 0.0000000), wk = 0.0045045 k( 9) = ( 0.0000000 0.1379310 0.0000000), wk = 0.0045045 k( 10) = ( 0.0000000 0.1551724 0.0000000), wk = 0.0045045 k( 11) = ( 0.0000000 0.1724138 0.0000000), wk = 0.0045045 k( 12) = ( 0.0000000 0.1896552 0.0000000), wk = 0.0045045 k( 13) = ( 0.0000000 0.2068966 0.0000000), wk = 0.0045045 k( 14) = ( 0.0000000 0.2241379 0.0000000), wk = 0.0045045 k( 15) = ( 0.0000000 0.2413793 0.0000000), wk = 0.0045045 k( 16) = ( 0.0000000 0.2586207 0.0000000), wk = 0.0045045 k( 17) = ( 0.0000000 0.2758621 0.0000000), wk = 0.0045045 k( 18) = ( 0.0000000 0.2931034 0.0000000), wk = 0.0045045 k( 19) = ( 0.0000000 0.3103448 0.0000000), wk = 0.0045045 k( 20) = ( 0.0000000 0.3275862 0.0000000), wk = 0.0045045 k( 21) = ( 0.0000000 0.3448276 0.0000000), wk = 0.0045045 k( 22) = ( 0.0000000 0.3620690 0.0000000), wk = 0.0045045 k( 23) = ( 0.0000000 0.3793103 0.0000000), wk = 0.0045045 k( 24) = ( 0.0000000 0.3965517 0.0000000), wk = 0.0045045 k( 25) = ( 0.0000000 0.4137931 0.0000000), wk = 0.0045045 k( 26) = ( 0.0000000 0.4310345 0.0000000), wk = 0.0045045 k( 27) = ( 0.0000000 0.4482759 0.0000000), wk = 0.0045045 k( 28) = ( 0.0000000 0.4655172 0.0000000), wk = 0.0045045 k( 29) = ( 0.0000000 0.4827586 0.0000000), wk = 0.0045045 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045045 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045045 k( 32) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0045045 k( 33) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0045045 k( 34) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0045045 k( 35) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0045045 k( 36) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0045045 k( 37) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0045045 k( 38) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0045045 k( 39) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0045045 k( 40) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0045045 k( 41) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0045045 k( 42) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0045045 k( 43) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0045045 k( 44) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0045045 k( 45) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0045045 k( 46) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0045045 k( 47) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0045045 k( 48) = ( 0.2931034 0.5000000 0.0000000), wk = 0.0045045 k( 49) = ( 0.3103448 0.5000000 0.0000000), wk = 0.0045045 k( 50) = ( 0.3275862 0.5000000 0.0000000), wk = 0.0045045 k( 51) = ( 0.3448276 0.5000000 0.0000000), wk = 0.0045045 k( 52) = ( 0.3620690 0.5000000 0.0000000), wk = 0.0045045 k( 53) = ( 0.3793103 0.5000000 0.0000000), wk = 0.0045045 k( 54) = ( 0.3965517 0.5000000 0.0000000), wk = 0.0045045 k( 55) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0045045 k( 56) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0045045 k( 57) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0045045 k( 58) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0045045 k( 59) = ( 0.4827586 0.5000000 0.0000000), wk = 0.0045045 k( 60) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045045 k( 61) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045045 k( 62) = ( 0.4875000 0.4875000 0.0000000), wk = 0.0045045 k( 63) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0045045 k( 64) = ( 0.4625000 0.4625000 0.0000000), wk = 0.0045045 k( 65) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0045045 k( 66) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0045045 k( 67) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0045045 k( 68) = ( 0.4125000 0.4125000 0.0000000), wk = 0.0045045 k( 69) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0045045 k( 70) = ( 0.3875000 0.3875000 0.0000000), wk = 0.0045045 k( 71) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0045045 k( 72) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0045045 k( 73) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0045045 k( 74) = ( 0.3375000 0.3375000 0.0000000), wk = 0.0045045 k( 75) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0045045 k( 76) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0045045 k( 77) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0045045 k( 78) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0045045 k( 79) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0045045 k( 80) = ( 0.2625000 0.2625000 0.0000000), wk = 0.0045045 k( 81) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0045045 k( 82) = ( 0.2375000 0.2375000 0.0000000), wk = 0.0045045 k( 83) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0045045 k( 84) = ( 0.2125000 0.2125000 0.0000000), wk = 0.0045045 k( 85) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0045045 k( 86) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0045045 k( 87) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0045045 k( 88) = ( 0.1625000 0.1625000 0.0000000), wk = 0.0045045 k( 89) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0045045 k( 90) = ( 0.1375000 0.1375000 0.0000000), wk = 0.0045045 k( 91) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0045045 k( 92) = ( 0.1125000 0.1125000 0.0000000), wk = 0.0045045 k( 93) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0045045 k( 94) = ( 0.0875000 0.0875000 0.0000000), wk = 0.0045045 k( 95) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0045045 k( 96) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0045045 k( 97) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0045045 k( 98) = ( 0.0375000 0.0375000 0.0000000), wk = 0.0045045 k( 99) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0045045 k( 100) = ( 0.0125000 0.0125000 0.0000000), wk = 0.0045045 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 103) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0045045 k( 104) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0045045 k( 105) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0045045 k( 106) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0045045 k( 107) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0045045 k( 108) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0045045 k( 109) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045045 k( 110) = ( 0.0816327 0.0816327 0.0816327), wk = 0.0045045 k( 111) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0045045 k( 112) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0045045 k( 113) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0045045 k( 114) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0045045 k( 115) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0045045 k( 116) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045045 k( 117) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0045045 k( 118) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0045045 k( 119) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0045045 k( 120) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0045045 k( 121) = ( 0.1938776 0.1938776 0.1938776), wk = 0.0045045 k( 122) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0045045 k( 123) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045045 k( 124) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0045045 k( 125) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0045045 k( 126) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0045045 k( 127) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0045045 k( 128) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0045045 k( 129) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0045045 k( 130) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045045 k( 131) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0045045 k( 132) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0045045 k( 133) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0045045 k( 134) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0045045 k( 135) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0045045 k( 136) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0045045 k( 137) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045045 k( 138) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0045045 k( 139) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0045045 k( 140) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0045045 k( 141) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0045045 k( 142) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0045045 k( 143) = ( 0.4183674 0.4183674 0.4183674), wk = 0.0045045 k( 144) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045045 k( 145) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0045045 k( 146) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0045045 k( 147) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0045045 k( 148) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0045045 k( 149) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0045045 k( 150) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0045045 k( 151) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045045 k( 152) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045045 k( 153) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045045 k( 154) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045045 k( 155) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045045 k( 156) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045045 k( 157) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045045 k( 158) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045045 k( 159) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045045 k( 160) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045045 k( 161) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045045 k( 162) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045045 k( 163) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045045 k( 164) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045045 k( 165) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045045 k( 166) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045045 k( 167) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045045 k( 168) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045045 k( 169) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045045 k( 170) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045045 k( 171) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045045 k( 172) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045045 k( 173) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045045 k( 174) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045045 k( 175) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045045 k( 176) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045045 k( 177) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045045 k( 178) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045045 k( 179) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045045 k( 180) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045045 k( 181) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045045 k( 182) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045045 k( 183) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045045 k( 184) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045045 k( 185) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045045 k( 186) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045045 k( 187) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045045 k( 188) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045045 k( 189) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045045 k( 190) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045045 k( 191) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045045 k( 192) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045045 k( 193) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045045 k( 194) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0045045 k( 195) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0045045 k( 196) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0045045 k( 197) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0045045 k( 198) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0045045 k( 199) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0045045 k( 200) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0045045 k( 201) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0045045 k( 202) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0045045 k( 203) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0045045 k( 204) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0045045 k( 205) = ( 0.5000000 0.5000000 0.2068966), wk = 0.0045045 k( 206) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0045045 k( 207) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0045045 k( 208) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0045045 k( 209) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0045045 k( 210) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0045045 k( 211) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0045045 k( 212) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0045045 k( 213) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0045045 k( 214) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0045045 k( 215) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0045045 k( 216) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0045045 k( 217) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0045045 k( 218) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0045045 k( 219) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0045045 k( 220) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0045045 k( 221) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0045045 k( 222) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045045 Dense grid: 84439 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 48885 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 252, 84) NL pseudopotentials 0.52 Mb ( 126, 272) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1761) G-vector shells 0.00 Mb ( 437) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.29 Mb ( 252, 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 48.5 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 58.6 secs Computing kpt #: 3 c_bands: 2 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 82.4 secs Computing kpt #: 5 total cpu time spent up to now is 94.5 secs Computing kpt #: 6 total cpu time spent up to now is 101.4 secs Computing kpt #: 7 total cpu time spent up to now is 108.8 secs Computing kpt #: 8 total cpu time spent up to now is 118.6 secs Computing kpt #: 9 total cpu time spent up to now is 124.7 secs Computing kpt #: 10 total cpu time spent up to now is 130.8 secs Computing kpt #: 11 total cpu time spent up to now is 142.1 secs Computing kpt #: 12 total cpu time spent up to now is 148.2 secs Computing kpt #: 13 total cpu time spent up to now is 154.1 secs Computing kpt #: 14 total cpu time spent up to now is 160.0 secs Computing kpt #: 15 total cpu time spent up to now is 167.6 secs Computing kpt #: 16 total cpu time spent up to now is 172.6 secs Computing kpt #: 17 total cpu time spent up to now is 177.5 secs Computing kpt #: 18 total cpu time spent up to now is 185.0 secs Computing kpt #: 19 total cpu time spent up to now is 190.8 secs Computing kpt #: 20 total cpu time spent up to now is 195.7 secs Computing kpt #: 21 total cpu time spent up to now is 200.7 secs Computing kpt #: 22 total cpu time spent up to now is 209.1 secs Computing kpt #: 23 total cpu time spent up to now is 214.3 secs Computing kpt #: 24 total cpu time spent up to now is 219.5 secs Computing kpt #: 25 total cpu time spent up to now is 224.8 secs Computing kpt #: 26 total cpu time spent up to now is 234.0 secs Computing kpt #: 27 total cpu time spent up to now is 239.0 secs Computing kpt #: 28 total cpu time spent up to now is 244.1 secs Computing kpt #: 29 total cpu time spent up to now is 249.1 secs Computing kpt #: 30 total cpu time spent up to now is 257.5 secs Computing kpt #: 31 total cpu time spent up to now is 262.4 secs Computing kpt #: 32 total cpu time spent up to now is 267.5 secs Computing kpt #: 33 total cpu time spent up to now is 272.7 secs Computing kpt #: 34 total cpu time spent up to now is 281.7 secs Computing kpt #: 35 total cpu time spent up to now is 286.9 secs Computing kpt #: 36 total cpu time spent up to now is 292.1 secs Computing kpt #: 37 total cpu time spent up to now is 300.1 secs Computing kpt #: 38 total cpu time spent up to now is 305.4 secs Computing kpt #: 39 total cpu time spent up to now is 310.7 secs Computing kpt #: 40 total cpu time spent up to now is 319.2 secs Computing kpt #: 41 total cpu time spent up to now is 324.4 secs Computing kpt #: 42 total cpu time spent up to now is 329.4 secs Computing kpt #: 43 total cpu time spent up to now is 334.2 secs Computing kpt #: 44 total cpu time spent up to now is 342.7 secs Computing kpt #: 45 total cpu time spent up to now is 347.7 secs Computing kpt #: 46 total cpu time spent up to now is 352.6 secs Computing kpt #: 47 total cpu time spent up to now is 358.8 secs Computing kpt #: 48 total cpu time spent up to now is 364.8 secs Computing kpt #: 49 total cpu time spent up to now is 369.6 secs Computing kpt #: 50 total cpu time spent up to now is 374.3 secs Computing kpt #: 51 total cpu time spent up to now is 382.3 secs Computing kpt #: 52 total cpu time spent up to now is 386.8 secs Computing kpt #: 53 total cpu time spent up to now is 391.2 secs Computing kpt #: 54 total cpu time spent up to now is 395.7 secs Computing kpt #: 55 total cpu time spent up to now is 402.4 secs Computing kpt #: 56 total cpu time spent up to now is 408.5 secs Computing kpt #: 57 total cpu time spent up to now is 413.3 secs Computing kpt #: 58 total cpu time spent up to now is 418.1 secs Computing kpt #: 59 total cpu time spent up to now is 424.5 secs Computing kpt #: 60 total cpu time spent up to now is 431.0 secs Computing kpt #: 61 total cpu time spent up to now is 438.0 secs Computing kpt #: 62 total cpu time spent up to now is 446.4 secs Computing kpt #: 63 total cpu time spent up to now is 451.3 secs Computing kpt #: 64 total cpu time spent up to now is 456.1 secs Computing kpt #: 65 total cpu time spent up to now is 460.7 secs Computing kpt #: 66 total cpu time spent up to now is 468.9 secs Computing kpt #: 67 total cpu time spent up to now is 473.4 secs Computing kpt #: 68 total cpu time spent up to now is 478.1 secs Computing kpt #: 69 total cpu time spent up to now is 482.9 secs Computing kpt #: 70 total cpu time spent up to now is 489.3 secs Computing kpt #: 71 total cpu time spent up to now is 495.3 secs Computing kpt #: 72 total cpu time spent up to now is 500.0 secs Computing kpt #: 73 total cpu time spent up to now is 506.6 secs Computing kpt #: 74 total cpu time spent up to now is 512.5 secs Computing kpt #: 75 total cpu time spent up to now is 517.4 secs Computing kpt #: 76 total cpu time spent up to now is 522.2 secs Computing kpt #: 77 total cpu time spent up to now is 527.7 secs Computing kpt #: 78 total cpu time spent up to now is 533.6 secs Computing kpt #: 79 total cpu time spent up to now is 539.2 secs Computing kpt #: 80 total cpu time spent up to now is 545.3 secs Computing kpt #: 81 total cpu time spent up to now is 551.6 secs Computing kpt #: 82 total cpu time spent up to now is 557.3 secs Computing kpt #: 83 total cpu time spent up to now is 562.9 secs Computing kpt #: 84 total cpu time spent up to now is 568.7 secs Computing kpt #: 85 total cpu time spent up to now is 574.8 secs Computing kpt #: 86 total cpu time spent up to now is 582.9 secs Computing kpt #: 87 total cpu time spent up to now is 589.1 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 600.0 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 610.8 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 621.5 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 632.2 secs Computing kpt #: 92 total cpu time spent up to now is 642.1 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 652.8 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 663.5 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 674.3 secs Computing kpt #: 96 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 684.9 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 695.7 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 706.6 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 717.4 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 728.2 secs Computing kpt #: 101 total cpu time spent up to now is 734.8 secs Computing kpt #: 102 total cpu time spent up to now is 741.3 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 751.7 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 762.1 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 772.8 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 783.2 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 793.7 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 804.1 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 814.7 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 825.3 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 835.9 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 846.6 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 857.0 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 867.4 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 877.6 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 888.0 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 898.4 secs Computing kpt #: 118 total cpu time spent up to now is 906.0 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 916.4 secs Computing kpt #: 120 total cpu time spent up to now is 921.8 secs Computing kpt #: 121 total cpu time spent up to now is 927.0 secs Computing kpt #: 122 total cpu time spent up to now is 932.6 secs Computing kpt #: 123 total cpu time spent up to now is 938.5 secs Computing kpt #: 124 total cpu time spent up to now is 943.8 secs Computing kpt #: 125 total cpu time spent up to now is 949.0 secs Computing kpt #: 126 total cpu time spent up to now is 954.2 secs Computing kpt #: 127 total cpu time spent up to now is 959.3 secs Computing kpt #: 128 total cpu time spent up to now is 964.3 secs Computing kpt #: 129 total cpu time spent up to now is 969.4 secs Computing kpt #: 130 total cpu time spent up to now is 974.4 secs Computing kpt #: 131 total cpu time spent up to now is 979.4 secs Computing kpt #: 132 total cpu time spent up to now is 984.3 secs Computing kpt #: 133 total cpu time spent up to now is 989.4 secs Computing kpt #: 134 total cpu time spent up to now is 994.3 secs Computing kpt #: 135 total cpu time spent up to now is 999.3 secs Computing kpt #: 136 total cpu time spent up to now is 1004.3 secs Computing kpt #: 137 total cpu time spent up to now is 1009.2 secs Computing kpt #: 138 total cpu time spent up to now is 1013.9 secs Computing kpt #: 139 total cpu time spent up to now is 1019.0 secs Computing kpt #: 140 total cpu time spent up to now is 1023.9 secs Computing kpt #: 141 total cpu time spent up to now is 1029.6 secs Computing kpt #: 142 total cpu time spent up to now is 1036.2 secs Computing kpt #: 143 total cpu time spent up to now is 1040.9 secs Computing kpt #: 144 total cpu time spent up to now is 1046.7 secs Computing kpt #: 145 total cpu time spent up to now is 1051.4 secs Computing kpt #: 146 total cpu time spent up to now is 1056.2 secs Computing kpt #: 147 total cpu time spent up to now is 1060.9 secs Computing kpt #: 148 total cpu time spent up to now is 1065.7 secs Computing kpt #: 149 total cpu time spent up to now is 1070.4 secs Computing kpt #: 150 total cpu time spent up to now is 1075.1 secs Computing kpt #: 151 total cpu time spent up to now is 1079.5 secs Computing kpt #: 152 total cpu time spent up to now is 1083.9 secs Computing kpt #: 153 total cpu time spent up to now is 1088.8 secs Computing kpt #: 154 total cpu time spent up to now is 1093.9 secs Computing kpt #: 155 total cpu time spent up to now is 1098.8 secs Computing kpt #: 156 total cpu time spent up to now is 1103.7 secs Computing kpt #: 157 total cpu time spent up to now is 1109.2 secs Computing kpt #: 158 total cpu time spent up to now is 1114.2 secs Computing kpt #: 159 total cpu time spent up to now is 1119.7 secs Computing kpt #: 160 total cpu time spent up to now is 1125.3 secs Computing kpt #: 161 total cpu time spent up to now is 1130.3 secs Computing kpt #: 162 total cpu time spent up to now is 1135.2 secs Computing kpt #: 163 total cpu time spent up to now is 1140.0 secs Computing kpt #: 164 total cpu time spent up to now is 1144.7 secs Computing kpt #: 165 total cpu time spent up to now is 1149.7 secs Computing kpt #: 166 total cpu time spent up to now is 1154.5 secs Computing kpt #: 167 total cpu time spent up to now is 1159.4 secs Computing kpt #: 168 total cpu time spent up to now is 1164.0 secs Computing kpt #: 169 total cpu time spent up to now is 1168.9 secs Computing kpt #: 170 total cpu time spent up to now is 1173.8 secs Computing kpt #: 171 total cpu time spent up to now is 1178.7 secs Computing kpt #: 172 total cpu time spent up to now is 1183.4 secs Computing kpt #: 173 total cpu time spent up to now is 1188.1 secs Computing kpt #: 174 total cpu time spent up to now is 1192.8 secs Computing kpt #: 175 total cpu time spent up to now is 1197.6 secs Computing kpt #: 176 total cpu time spent up to now is 1202.4 secs Computing kpt #: 177 total cpu time spent up to now is 1207.2 secs Computing kpt #: 178 total cpu time spent up to now is 1211.9 secs Computing kpt #: 179 total cpu time spent up to now is 1216.7 secs Computing kpt #: 180 total cpu time spent up to now is 1221.7 secs Computing kpt #: 181 total cpu time spent up to now is 1226.8 secs Computing kpt #: 182 total cpu time spent up to now is 1231.9 secs Computing kpt #: 183 total cpu time spent up to now is 1237.2 secs Computing kpt #: 184 total cpu time spent up to now is 1242.4 secs Computing kpt #: 185 total cpu time spent up to now is 1247.8 secs Computing kpt #: 186 total cpu time spent up to now is 1253.0 secs Computing kpt #: 187 total cpu time spent up to now is 1258.2 secs Computing kpt #: 188 total cpu time spent up to now is 1263.6 secs Computing kpt #: 189 total cpu time spent up to now is 1268.8 secs Computing kpt #: 190 total cpu time spent up to now is 1274.1 secs Computing kpt #: 191 total cpu time spent up to now is 1279.3 secs Computing kpt #: 192 total cpu time spent up to now is 1284.4 secs Computing kpt #: 193 total cpu time spent up to now is 1289.3 secs Computing kpt #: 194 total cpu time spent up to now is 1294.2 secs Computing kpt #: 195 total cpu time spent up to now is 1299.1 secs Computing kpt #: 196 total cpu time spent up to now is 1304.0 secs Computing kpt #: 197 total cpu time spent up to now is 1309.0 secs Computing kpt #: 198 total cpu time spent up to now is 1313.8 secs Computing kpt #: 199 total cpu time spent up to now is 1318.8 secs Computing kpt #: 200 total cpu time spent up to now is 1323.8 secs Computing kpt #: 201 total cpu time spent up to now is 1328.7 secs Computing kpt #: 202 total cpu time spent up to now is 1334.5 secs Computing kpt #: 203 total cpu time spent up to now is 1340.7 secs Computing kpt #: 204 total cpu time spent up to now is 1345.8 secs Computing kpt #: 205 total cpu time spent up to now is 1350.9 secs Computing kpt #: 206 total cpu time spent up to now is 1355.9 secs Computing kpt #: 207 total cpu time spent up to now is 1360.8 secs Computing kpt #: 208 total cpu time spent up to now is 1365.8 secs Computing kpt #: 209 total cpu time spent up to now is 1370.8 secs Computing kpt #: 210 total cpu time spent up to now is 1375.6 secs Computing kpt #: 211 total cpu time spent up to now is 1380.5 secs Computing kpt #: 212 total cpu time spent up to now is 1385.4 secs Computing kpt #: 213 total cpu time spent up to now is 1390.2 secs Computing kpt #: 214 total cpu time spent up to now is 1395.0 secs Computing kpt #: 215 total cpu time spent up to now is 1399.8 secs Computing kpt #: 216 total cpu time spent up to now is 1404.4 secs Computing kpt #: 217 total cpu time spent up to now is 1409.2 secs Computing kpt #: 218 total cpu time spent up to now is 1413.9 secs Computing kpt #: 219 total cpu time spent up to now is 1418.5 secs Computing kpt #: 220 total cpu time spent up to now is 1423.1 secs Computing kpt #: 221 total cpu time spent up to now is 1427.7 secs Computing kpt #: 222 total cpu time spent up to now is 1432.1 secs ethr = 1.43E-11, avg # of iterations = 44.4 total cpu time spent up to now is 1432.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6043 PWs) bands (ev): -61.7749 -61.7749 -34.7248 -34.7248 -26.1132 -26.1132 -26.1132 -26.1132 -7.5454 -7.5454 -6.5036 -6.5036 -6.3794 -6.3794 -6.3794 -6.3794 0.2930 0.2930 0.2930 0.2930 0.9724 0.9724 1.9373 1.9373 1.9373 1.9373 1.9859 1.9859 2.6355 2.6355 2.6740 2.6740 2.6740 2.6740 3.0730 3.0730 3.2520 3.2520 3.2520 3.2520 3.4122 3.4122 3.4122 3.4122 3.9476 3.9476 4.1344 4.1344 4.1344 4.1344 4.2253 4.2253 4.2253 4.2253 4.2863 4.2863 4.6050 4.6050 4.7359 4.7359 4.7359 4.7359 4.8111 4.8111 5.6274 5.6274 5.6274 5.6274 5.7331 5.7331 8.0737 8.0737 8.1971 8.1971 8.2140 8.2140 8.2140 8.2140 8.4964 8.4964 8.4964 8.4964 11.9383 11.9383 k = 0.0000 0.0172-0.0000 ( 6043 PWs) bands (ev): -61.7749 -61.7749 -34.7248 -34.7248 -26.1132 -26.1132 -26.1132 -26.1132 -7.5448 -7.5448 -6.5038 -6.5038 -6.3798 -6.3798 -6.3793 -6.3793 0.2933 0.2933 0.2945 0.2945 0.9732 0.9732 1.9365 1.9365 1.9376 1.9376 1.9857 1.9857 2.6349 2.6349 2.6729 2.6729 2.6739 2.6739 3.0718 3.0718 3.2485 3.2485 3.2527 3.2527 3.4126 3.4126 3.4156 3.4156 3.9474 3.9474 4.1269 4.1269 4.1416 4.1416 4.2203 4.2203 4.2302 4.2302 4.2860 4.2860 4.6052 4.6052 4.7327 4.7327 4.7388 4.7388 4.8109 4.8109 5.6256 5.6256 5.6271 5.6271 5.7321 5.7321 8.0703 8.0703 8.1997 8.1997 8.2128 8.2128 8.2228 8.2228 8.4916 8.4916 8.5029 8.5029 11.9342 11.9344 k = 0.0000 0.0345-0.0000 ( 6079 PWs) bands (ev): -61.7750 -61.7750 -34.7249 -34.7249 -26.1133 -26.1133 -26.1132 -26.1132 -7.5430 -7.5430 -6.5046 -6.5046 -6.3813 -6.3813 -6.3794 -6.3794 0.2949 0.2949 0.2983 0.2983 0.9756 0.9756 1.9339 1.9339 1.9387 1.9387 1.9851 1.9851 2.6329 2.6329 2.6697 2.6697 2.6732 2.6732 3.0681 3.0681 3.2408 3.2408 3.2527 3.2527 3.4139 3.4139 3.4248 3.4248 3.9469 3.9469 4.1190 4.1190 4.1481 4.1481 4.2148 4.2148 4.2351 4.2351 4.2850 4.2850 4.6055 4.6055 4.7289 4.7289 4.7416 4.7416 4.8102 4.8102 5.6202 5.6202 5.6264 5.6264 5.7290 5.7290 8.0617 8.0617 8.2057 8.2057 8.2162 8.2162 8.2427 8.2427 8.4886 8.4886 8.5114 8.5114 11.9236 11.9236 k = 0.0000 0.0517-0.0000 ( 6083 PWs) bands (ev): -61.7750 -61.7750 -34.7249 -34.7249 -26.1133 -26.1133 -26.1133 -26.1133 -7.5401 -7.5401 -6.5058 -6.5058 -6.3836 -6.3836 -6.3794 -6.3794 0.2977 0.2977 0.3046 0.3046 0.9796 0.9796 1.9293 1.9293 1.9404 1.9404 1.9845 1.9845 2.6293 2.6293 2.6650 2.6650 2.6721 2.6721 3.0618 3.0618 3.2300 3.2300 3.2526 3.2526 3.4162 3.4162 3.4385 3.4385 3.9460 3.9460 4.1110 4.1110 4.1541 4.1541 4.2087 4.2087 4.2401 4.2401 4.2835 4.2835 4.6060 4.6060 4.7245 4.7245 4.7444 4.7444 4.8093 4.8093 5.6111 5.6111 5.6252 5.6252 5.7243 5.7243 8.0509 8.0509 8.2137 8.2137 8.2230 8.2230 8.2727 8.2727 8.4871 8.4871 8.5221 8.5221 11.9059 11.9059 k = 0.0000 0.0690-0.0000 ( 6095 PWs) bands (ev): -61.7750 -61.7750 -34.7249 -34.7249 -26.1134 -26.1134 -26.1133 -26.1133 -7.5360 -7.5360 -6.5075 -6.5075 -6.3867 -6.3867 -6.3794 -6.3794 0.3015 0.3015 0.3133 0.3133 0.9852 0.9852 1.9220 1.9220 1.9428 1.9428 1.9845 1.9845 2.6234 2.6234 2.6594 2.6594 2.6706 2.6706 3.0525 3.0525 3.2176 3.2176 3.2523 3.2523 3.4192 3.4192 3.4553 3.4553 3.9449 3.9449 4.1029 4.1029 4.1594 4.1594 4.2019 4.2019 4.2453 4.2453 4.2819 4.2819 4.6064 4.6064 4.7195 4.7195 4.7475 4.7475 4.8080 4.8080 5.5982 5.5982 5.6236 5.6236 5.7184 5.7184 8.0399 8.0399 8.2237 8.2237 8.2327 8.2327 8.3106 8.3106 8.4872 8.4872 8.5352 8.5352 11.8818 11.8818 k = 0.0000 0.0862-0.0000 ( 6099 PWs) bands (ev): -61.7750 -61.7750 -34.7249 -34.7249 -26.1135 -26.1135 -26.1133 -26.1133 -7.5308 -7.5308 -6.5099 -6.5099 -6.3906 -6.3906 -6.3794 -6.3794 0.3065 0.3065 0.3244 0.3244 0.9925 0.9925 1.9119 1.9119 1.9458 1.9458 1.9853 1.9853 2.6147 2.6147 2.6537 2.6537 2.6687 2.6687 3.0400 3.0400 3.2050 3.2050 3.2520 3.2520 3.4231 3.4231 3.4743 3.4743 3.9434 3.9434 4.0949 4.0949 4.1640 4.1640 4.1942 4.1942 4.2506 4.2506 4.2802 4.2802 4.6066 4.6066 4.7137 4.7137 4.7509 4.7509 4.8065 4.8065 5.5815 5.5815 5.6216 5.6216 5.7116 5.7116 8.0294 8.0294 8.2354 8.2354 8.2455 8.2455 8.3545 8.3545 8.4890 8.4890 8.5510 8.5510 11.8524 11.8524 k = 0.0000 0.1034-0.0000 ( 6103 PWs) bands (ev): -61.7750 -61.7750 -34.7249 -34.7249 -26.1135 -26.1135 -26.1133 -26.1133 -7.5245 -7.5245 -6.5130 -6.5130 -6.3950 -6.3950 -6.3795 -6.3795 0.3125 0.3125 0.3379 0.3379 1.0013 1.0013 1.8989 1.8989 1.9494 1.9494 1.9871 1.9871 2.6026 2.6026 2.6486 2.6486 2.6664 2.6664 3.0239 3.0239 3.1931 3.1931 3.2515 3.2515 3.4276 3.4276 3.4947 3.4947 3.9416 3.9416 4.0871 4.0871 4.1679 4.1679 4.1857 4.1857 4.2559 4.2559 4.2789 4.2789 4.6063 4.6063 4.7072 4.7072 4.7548 4.7548 4.8049 4.8049 5.5612 5.5612 5.6192 5.6192 5.7043 5.7043 8.0198 8.0198 8.2487 8.2487 8.2611 8.2611 8.4028 8.4028 8.4927 8.4927 8.5699 8.5699 11.8192 11.8192 k = 0.0000 0.1207-0.0000 ( 6119 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1136 -26.1136 -26.1133 -26.1133 -7.5171 -7.5171 -6.5170 -6.5170 -6.3999 -6.3999 -6.3795 -6.3795 0.3195 0.3195 0.3537 0.3537 1.0117 1.0117 1.8831 1.8831 1.9536 1.9536 1.9898 1.9898 2.5873 2.5873 2.6440 2.6440 2.6637 2.6637 3.0044 3.0044 3.1822 3.1822 3.2511 3.2511 3.4328 3.4328 3.5160 3.5160 3.9394 3.9394 4.0795 4.0795 4.1703 4.1703 4.1771 4.1771 4.2607 4.2607 4.2783 4.2783 4.6054 4.6054 4.7001 4.7001 4.7589 4.7589 4.8032 4.8032 5.5377 5.5377 5.6165 5.6165 5.6968 5.6968 8.0111 8.0111 8.2631 8.2631 8.2794 8.2794 8.4522 8.4522 8.5000 8.5000 8.5930 8.5930 11.7835 11.7835 k = 0.0000 0.1379-0.0000 ( 6123 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1137 -26.1137 -26.1133 -26.1133 -7.5087 -7.5087 -6.5219 -6.5219 -6.4050 -6.4050 -6.3795 -6.3795 0.3274 0.3274 0.3718 0.3718 1.0238 1.0238 1.8646 1.8646 1.9583 1.9583 1.9932 1.9932 2.5694 2.5694 2.6397 2.6397 2.6607 2.6607 2.9814 2.9814 3.1725 3.1725 3.2505 3.2505 3.4384 3.4384 3.5382 3.5382 3.9369 3.9369 4.0724 4.0724 4.1645 4.1645 4.1756 4.1756 4.2644 4.2644 4.2788 4.2788 4.6038 4.6038 4.6923 4.6923 4.7633 4.7633 4.8018 4.8018 5.5113 5.5113 5.6134 5.6134 5.6891 5.6891 8.0031 8.0031 8.2785 8.2785 8.3000 8.3000 8.4890 8.4890 8.5215 8.5215 8.6227 8.6227 11.7466 11.7466 k = 0.0000 0.1552-0.0000 ( 6115 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1137 -26.1137 -26.1133 -26.1133 -7.4992 -7.4992 -6.5279 -6.5279 -6.4102 -6.4102 -6.3796 -6.3796 0.3362 0.3362 0.3922 0.3922 1.0374 1.0374 1.8436 1.8436 1.9637 1.9637 1.9975 1.9975 2.5492 2.5492 2.6357 2.6357 2.6574 2.6574 2.9552 2.9552 3.1640 3.1640 3.2500 3.2500 3.4443 3.4443 3.5609 3.5609 3.9340 3.9340 4.0657 4.0657 4.1541 4.1541 4.1776 4.1776 4.2665 4.2665 4.2811 4.2811 4.6015 4.6015 4.6841 4.6841 4.7677 4.7677 4.8008 4.8008 5.4826 5.4826 5.6102 5.6102 5.6814 5.6814 7.9956 7.9956 8.2946 8.2946 8.3227 8.3227 8.5036 8.5036 8.5624 8.5624 8.6632 8.6632 11.7091 11.7091 k = 0.0000 0.1724-0.0000 ( 6111 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1138 -26.1138 -26.1133 -26.1133 -7.4888 -7.4888 -6.5351 -6.5351 -6.4153 -6.4153 -6.3796 -6.3796 0.3459 0.3459 0.4146 0.4146 1.0526 1.0526 1.8204 1.8204 1.9695 1.9695 2.0024 2.0024 2.5272 2.5272 2.6317 2.6317 2.6538 2.6538 2.9261 2.9261 3.1564 3.1564 3.2493 3.2493 3.4505 3.4505 3.5841 3.5841 3.9308 3.9308 4.0596 4.0596 4.1430 4.1430 4.1795 4.1795 4.2672 4.2672 4.2844 4.2844 4.5985 4.5985 4.6755 4.6755 4.7715 4.7715 4.8007 4.8007 5.4521 5.4521 5.6069 5.6069 5.6736 5.6736 7.9887 7.9887 8.3108 8.3108 8.3471 8.3471 8.5148 8.5148 8.6003 8.6003 8.7174 8.7174 11.6720 11.6720 k = 0.0000 0.1897-0.0000 ( 6111 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1139 -26.1139 -26.1133 -26.1133 -7.4775 -7.4775 -6.5436 -6.5436 -6.4201 -6.4201 -6.3796 -6.3796 0.3562 0.3562 0.4391 0.4391 1.0694 1.0694 1.7951 1.7951 1.9756 1.9756 2.0077 2.0077 2.5037 2.5037 2.6276 2.6276 2.6500 2.6500 2.8945 2.8945 3.1497 3.1497 3.2486 3.2486 3.4570 3.4570 3.6077 3.6077 3.9273 3.9273 4.0539 4.0539 4.1316 4.1316 4.1810 4.1810 4.2673 4.2673 4.2880 4.2880 4.5948 4.5948 4.6666 4.6666 4.7744 4.7744 4.8021 4.8021 5.4204 5.4204 5.6034 5.6034 5.6659 5.6659 7.9820 7.9820 8.3269 8.3269 8.3728 8.3728 8.5269 8.5269 8.6326 8.6326 8.7830 8.7830 11.6356 11.6356 k = 0.0000 0.2069-0.0000 ( 6111 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1140 -26.1140 -26.1133 -26.1133 -7.4654 -7.4654 -6.5535 -6.5535 -6.4244 -6.4244 -6.3797 -6.3797 0.3672 0.3672 0.4655 0.4655 1.0876 1.0876 1.7678 1.7678 1.9822 1.9822 2.0134 2.0134 2.4791 2.4791 2.6234 2.6234 2.6459 2.6459 2.8606 2.8606 3.1435 3.1435 3.2479 3.2479 3.4635 3.4635 3.6316 3.6316 3.9235 3.9235 4.0488 4.0488 4.1201 4.1201 4.1822 4.1822 4.2671 4.2671 4.2911 4.2911 4.5907 4.5907 4.6575 4.6575 4.7760 4.7760 4.8050 4.8050 5.3878 5.3878 5.5998 5.5998 5.6582 5.6582 7.9756 7.9756 8.3425 8.3425 8.3996 8.3996 8.5406 8.5406 8.6616 8.6616 8.8561 8.8561 11.6005 11.6005 k = 0.0000 0.2241-0.0000 ( 6103 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1141 -26.1141 -26.1133 -26.1133 -7.4525 -7.4525 -6.5646 -6.5646 -6.4283 -6.4283 -6.3797 -6.3797 0.3788 0.3788 0.4937 0.4937 1.1073 1.1073 1.7388 1.7388 1.9891 1.9891 2.0195 2.0195 2.4536 2.4536 2.6192 2.6192 2.6417 2.6417 2.8247 2.8247 3.1378 3.1378 3.2471 3.2471 3.4700 3.4700 3.6556 3.6556 3.9195 3.9195 4.0442 4.0442 4.1087 4.1087 4.1829 4.1829 4.2668 4.2668 4.2933 4.2933 4.5861 4.5861 4.6486 4.6486 4.7767 4.7767 4.8093 4.8093 5.3548 5.3548 5.5962 5.5962 5.6507 5.6507 7.9693 7.9693 8.3574 8.3574 8.4272 8.4272 8.5560 8.5560 8.6892 8.6892 8.9340 8.9340 11.5669 11.5669 k = 0.0000 0.2414-0.0000 ( 6103 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1142 -26.1142 -26.1133 -26.1133 -7.4390 -7.4390 -6.5770 -6.5770 -6.4317 -6.4317 -6.3798 -6.3798 0.3908 0.3908 0.5237 0.5237 1.1284 1.1284 1.7081 1.7081 1.9963 1.9963 2.0259 2.0259 2.4276 2.4276 2.6149 2.6149 2.6373 2.6373 2.7873 2.7873 3.1324 3.1324 3.2463 3.2463 3.4765 3.4765 3.6798 3.6798 3.9153 3.9153 4.0400 4.0400 4.0976 4.0976 4.1833 4.1833 4.2666 4.2666 4.2944 4.2944 4.5813 4.5813 4.6396 4.6396 4.7771 4.7771 4.8145 4.8145 5.3218 5.3218 5.5926 5.5926 5.6433 5.6433 7.9631 7.9631 8.3715 8.3715 8.4551 8.4551 8.5729 8.5729 8.7160 8.7160 9.0152 9.0152 11.5350 11.5350 k = 0.0000 0.2586-0.0000 ( 6123 PWs) bands (ev): -61.7750 -61.7750 -34.7251 -34.7251 -26.1143 -26.1143 -26.1134 -26.1134 -7.4248 -7.4248 -6.5904 -6.5904 -6.4346 -6.4346 -6.3799 -6.3799 0.4031 0.4031 0.5552 0.5552 1.1507 1.1507 1.6759 1.6759 2.0036 2.0036 2.0323 2.0323 2.4013 2.4013 2.6104 2.6104 2.6327 2.6327 2.7484 2.7484 3.1274 3.1274 3.2455 3.2455 3.4828 3.4828 3.7041 3.7041 3.9111 3.9111 4.0363 4.0363 4.0869 4.0869 4.1832 4.1832 4.2663 4.2663 4.2943 4.2943 4.5762 4.5762 4.6309 4.6309 4.7776 4.7776 4.8201 4.8201 5.2890 5.2890 5.5891 5.5891 5.6362 5.6362 7.9570 7.9570 8.3847 8.3847 8.4831 8.4831 8.5912 8.5912 8.7422 8.7422 9.0985 9.0985 11.5051 11.5051 k = 0.0000 0.2759-0.0000 ( 6131 PWs) bands (ev): -61.7750 -61.7750 -34.7251 -34.7251 -26.1144 -26.1144 -26.1134 -26.1134 -7.4102 -7.4102 -6.6047 -6.6047 -6.4371 -6.4371 -6.3799 -6.3799 0.4156 0.4156 0.5882 0.5882 1.1743 1.1743 1.6425 1.6425 2.0110 2.0110 2.0389 2.0389 2.3751 2.3751 2.6060 2.6060 2.6281 2.6281 2.7086 2.7086 3.1226 3.1226 3.2446 3.2446 3.4890 3.4890 3.7284 3.7284 3.9068 3.9068 4.0329 4.0329 4.0766 4.0766 4.1827 4.1827 4.2661 4.2661 4.2927 4.2927 4.5710 4.5710 4.6225 4.6225 4.7786 4.7786 4.8258 4.8258 5.2568 5.2568 5.5856 5.5856 5.6294 5.6294 7.9510 7.9510 8.3969 8.3969 8.5108 8.5108 8.6103 8.6103 8.7677 8.7677 9.1833 9.1833 11.4772 11.4772 k = 0.0000 0.2931-0.0000 ( 6123 PWs) bands (ev): -61.7750 -61.7750 -34.7251 -34.7251 -26.1145 -26.1145 -26.1134 -26.1134 -7.3953 -7.3953 -6.6197 -6.6197 -6.4391 -6.4391 -6.3800 -6.3800 0.4282 0.4282 0.6225 0.6225 1.1988 1.1988 1.6079 1.6079 2.0184 2.0184 2.0454 2.0454 2.3492 2.3492 2.6013 2.6013 2.6232 2.6232 2.6685 2.6685 3.1181 3.1181 3.2438 3.2438 3.4950 3.4950 3.7526 3.7526 3.9027 3.9027 4.0299 4.0299 4.0670 4.0670 4.1819 4.1819 4.2659 4.2659 4.2896 4.2896 4.5659 4.5659 4.6146 4.6146 4.7804 4.7804 4.8315 4.8315 5.2253 5.2253 5.5823 5.5823 5.6230 5.6230 7.9452 7.9452 8.4084 8.4084 8.5379 8.5379 8.6300 8.6300 8.7925 8.7925 9.2686 9.2686 11.4513 11.4513 k = 0.0000 0.3103-0.0000 ( 6127 PWs) bands (ev): -61.7750 -61.7750 -34.7251 -34.7251 -26.1146 -26.1146 -26.1134 -26.1134 -7.3802 -7.3802 -6.6351 -6.6351 -6.4409 -6.4409 -6.3800 -6.3800 0.4406 0.4406 0.6580 0.6580 1.2242 1.2242 1.5724 1.5724 2.0257 2.0257 2.0518 2.0518 2.3240 2.3240 2.5958 2.5958 2.6162 2.6162 2.6310 2.6310 3.1138 3.1138 3.2430 3.2430 3.5007 3.5007 3.7767 3.7767 3.8988 3.8988 4.0271 4.0271 4.0581 4.0581 4.1805 4.1805 4.2657 4.2657 4.2851 4.2851 4.5609 4.5609 4.6070 4.6070 4.7832 4.7832 4.8370 4.8370 5.1947 5.1947 5.5791 5.5791 5.6170 5.6170 7.9395 7.9395 8.4190 8.4190 8.5640 8.5640 8.6497 8.6497 8.8164 8.8164 9.3538 9.3538 11.4277 11.4277 k = 0.0000 0.3276-0.0000 ( 6127 PWs) bands (ev): -61.7750 -61.7750 -34.7251 -34.7251 -26.1147 -26.1147 -26.1134 -26.1134 -7.3650 -7.3650 -6.6508 -6.6508 -6.4423 -6.4423 -6.3801 -6.3801 0.4528 0.4528 0.6946 0.6946 1.2500 1.2500 1.5362 1.5362 2.0328 2.0328 2.0580 2.0580 2.2997 2.2997 2.5785 2.5785 2.5980 2.5980 2.6169 2.6169 3.1098 3.1098 3.2421 3.2421 3.5062 3.5062 3.8005 3.8005 3.8951 3.8951 4.0245 4.0245 4.0501 4.0501 4.1788 4.1788 4.2653 4.2653 4.2794 4.2794 4.5560 4.5560 4.6000 4.6000 4.7870 4.7870 4.8423 4.8423 5.1652 5.1652 5.5760 5.5760 5.6114 5.6114 7.9341 7.9341 8.4288 8.4288 8.5890 8.5890 8.6690 8.6690 8.8391 8.8391 9.4380 9.4380 11.4061 11.4061 k = 0.0000 0.3448-0.0000 ( 6126 PWs) bands (ev): -61.7750 -61.7750 -34.7251 -34.7251 -26.1148 -26.1148 -26.1134 -26.1134 -7.3501 -7.3501 -6.6664 -6.6664 -6.4435 -6.4435 -6.3801 -6.3801 0.4646 0.4646 0.7320 0.7320 1.2759 1.2759 1.4995 1.4995 2.0397 2.0397 2.0639 2.0639 2.2766 2.2766 2.5411 2.5411 2.5915 2.5915 2.6120 2.6120 3.1061 3.1061 3.2413 3.2413 3.5112 3.5112 3.8238 3.8238 3.8919 3.8919 4.0221 4.0221 4.0430 4.0430 4.1765 4.1765 4.2642 4.2642 4.2733 4.2733 4.5515 4.5515 4.5934 4.5934 4.7919 4.7919 4.8474 4.8474 5.1369 5.1369 5.5732 5.5732 5.6063 5.6063 7.9289 7.9289 8.4379 8.4379 8.6125 8.6125 8.6876 8.6876 8.8604 8.8604 9.5203 9.5203 11.3866 11.3866 k = 0.0000 0.3621-0.0000 ( 6106 PWs) bands (ev): -61.7750 -61.7750 -34.7251 -34.7251 -26.1149 -26.1149 -26.1133 -26.1133 -7.3355 -7.3355 -6.6817 -6.6817 -6.4445 -6.4445 -6.3801 -6.3801 0.4757 0.4757 0.7700 0.7700 1.3011 1.3011 1.4630 1.4630 2.0462 2.0462 2.0694 2.0694 2.2550 2.2550 2.5020 2.5020 2.5873 2.5873 2.6079 2.6079 3.1027 3.1027 3.2406 3.2406 3.5159 3.5159 3.8460 3.8460 3.8894 3.8894 4.0197 4.0197 4.0370 4.0370 4.1736 4.1736 4.2604 4.2604 4.2689 4.2689 4.5473 4.5473 4.5873 4.5873 4.7979 4.7979 4.8523 4.8523 5.1098 5.1098 5.5705 5.5705 5.6018 5.6018 7.9241 7.9241 8.4462 8.4462 8.6342 8.6342 8.7051 8.7051 8.8801 8.8801 9.5998 9.5998 11.3692 11.3692 k = 0.0000 0.3793-0.0000 ( 6110 PWs) bands (ev): -61.7750 -61.7750 -34.7251 -34.7251 -26.1149 -26.1149 -26.1133 -26.1133 -7.3215 -7.3215 -6.6965 -6.6965 -6.4453 -6.4453 -6.3802 -6.3802 0.4861 0.4861 0.8085 0.8085 1.3239 1.3239 1.4279 1.4279 2.0522 2.0522 2.0744 2.0744 2.2352 2.2352 2.4642 2.4642 2.5837 2.5837 2.6042 2.6042 3.0996 3.0996 3.2399 3.2399 3.5201 3.5201 3.8652 3.8652 3.8895 3.8895 4.0171 4.0171 4.0324 4.0324 4.1700 4.1700 4.2530 4.2530 4.2675 4.2675 4.5434 4.5434 4.5817 4.5817 4.8047 4.8047 4.8571 4.8571 5.0841 5.0841 5.5681 5.5681 5.5977 5.5977 7.9196 7.9196 8.4537 8.4537 8.6540 8.6540 8.7212 8.7212 8.8980 8.8980 9.6753 9.6753 11.3537 11.3537 k = 0.0000 0.3966-0.0000 ( 6114 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1150 -26.1150 -26.1133 -26.1133 -7.3085 -7.3085 -6.7102 -6.7102 -6.4459 -6.4459 -6.3802 -6.3802 0.4955 0.4955 0.8472 0.8472 1.3380 1.3380 1.4004 1.4004 2.0577 2.0577 2.0789 2.0789 2.2174 2.2174 2.4287 2.4287 2.5805 2.5805 2.6008 2.6008 3.0968 3.0968 3.2393 3.2393 3.5239 3.5239 3.8748 3.8748 3.8984 3.8984 4.0146 4.0146 4.0289 4.0289 4.1654 4.1654 4.2447 4.2447 4.2671 4.2671 4.5400 4.5400 4.5767 4.5767 4.8121 4.8121 4.8618 4.8618 5.0598 5.0598 5.5659 5.5659 5.5943 5.5943 7.9156 7.9156 8.4603 8.4603 8.6716 8.6716 8.7357 8.7357 8.9139 8.9139 9.7457 9.7457 11.3402 11.3402 k = 0.0000 0.4138-0.0000 ( 6106 PWs) bands (ev): -61.7750 -61.7750 -34.7251 -34.7251 -26.1150 -26.1150 -26.1133 -26.1133 -7.2967 -7.2967 -6.7227 -6.7227 -6.4465 -6.4465 -6.3803 -6.3803 0.5037 0.5037 0.8858 0.8858 1.3265 1.3265 1.3969 1.3969 2.0626 2.0626 2.0827 2.0827 2.2019 2.2019 2.3963 2.3963 2.5777 2.5777 2.5980 2.5980 3.0944 3.0944 3.2387 3.2387 3.5271 3.5271 3.8756 3.8756 3.9151 3.9151 4.0123 4.0123 4.0269 4.0269 4.1597 4.1597 4.2366 4.2366 4.2669 4.2669 4.5371 4.5371 4.5723 4.5723 4.8198 4.8198 4.8668 4.8668 5.0371 5.0371 5.5641 5.5641 5.5914 5.5914 7.9122 7.9122 8.4660 8.4660 8.6868 8.6868 8.7482 8.7482 8.9277 8.9277 9.8094 9.8094 11.3285 11.3285 k = 0.0000 0.4310-0.0000 ( 6098 PWs) bands (ev): -61.7750 -61.7750 -34.7251 -34.7251 -26.1151 -26.1151 -26.1133 -26.1133 -7.2864 -7.2864 -6.7336 -6.7336 -6.4469 -6.4469 -6.3803 -6.3803 0.5108 0.5108 0.9236 0.9236 1.2962 1.2962 1.4105 1.4105 2.0666 2.0666 2.0857 2.0857 2.1889 2.1889 2.3681 2.3681 2.5753 2.5753 2.5955 2.5955 3.0924 3.0924 3.2382 3.2382 3.5298 3.5298 3.8746 3.8746 3.9317 3.9317 4.0107 4.0107 4.0260 4.0260 4.1531 4.1531 4.2295 4.2295 4.2667 4.2667 4.5348 4.5348 4.5686 4.5686 4.8272 4.8272 4.8724 4.8724 5.0162 5.0162 5.5625 5.5625 5.5891 5.5891 7.9092 7.9092 8.4708 8.4708 8.6994 8.6994 8.7588 8.7588 8.9392 8.9392 9.8649 9.8649 11.3187 11.3187 k = 0.0000 0.4483-0.0000 ( 6114 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1152 -26.1152 -26.1133 -26.1133 -7.2780 -7.2780 -6.7426 -6.7426 -6.4472 -6.4472 -6.3803 -6.3803 0.5164 0.5164 0.9597 0.9597 1.2627 1.2627 1.4255 1.4255 2.0698 2.0698 2.0880 2.0880 2.1786 2.1786 2.3448 2.3448 2.5734 2.5734 2.5935 2.5935 3.0908 3.0908 3.2378 3.2378 3.5318 3.5318 3.8734 3.8734 3.9457 3.9457 4.0097 4.0097 4.0262 4.0262 4.1457 4.1457 4.2238 4.2238 4.2666 4.2666 4.5330 4.5330 4.5655 4.5655 4.8336 4.8336 4.8786 4.8786 4.9974 4.9974 5.5612 5.5612 5.5872 5.5872 7.9069 7.9069 8.4746 8.4746 8.7094 8.7094 8.7671 8.7671 8.9482 8.9482 9.9105 9.9105 11.3107 11.3107 k = 0.0000 0.4655-0.0000 ( 6114 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1152 -26.1152 -26.1133 -26.1133 -7.2717 -7.2717 -6.7492 -6.7492 -6.4474 -6.4474 -6.3803 -6.3803 0.5204 0.5204 0.9922 0.9922 1.2314 1.2314 1.4377 1.4377 2.0722 2.0722 2.0896 2.0896 2.1711 2.1711 2.3274 2.3274 2.5721 2.5721 2.5922 2.5922 3.0897 3.0897 3.2376 3.2376 3.5333 3.5333 3.8725 3.8725 3.9559 3.9559 4.0096 4.0096 4.0276 4.0276 4.1387 4.1387 4.2197 4.2197 4.2665 4.2665 4.5317 4.5317 4.5633 4.5633 4.8383 4.8383 4.8852 4.8852 4.9816 4.9816 5.5603 5.5603 5.5859 5.5859 7.9052 7.9052 8.4773 8.4773 8.7166 8.7166 8.7731 8.7731 8.9548 8.9548 9.9446 9.9446 11.3048 11.3048 k = 0.0000 0.4828-0.0000 ( 6122 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1152 -26.1152 -26.1134 -26.1134 -7.2678 -7.2678 -6.7533 -6.7533 -6.4475 -6.4475 -6.3803 -6.3803 0.5229 0.5229 1.0170 1.0170 1.2072 1.2072 1.4455 1.4455 2.0736 2.0736 2.0904 2.0904 2.1666 2.1666 2.3167 2.3167 2.5713 2.5713 2.5913 2.5913 3.0890 3.0890 3.2374 3.2374 3.5342 3.5342 3.8719 3.8719 3.9618 3.9618 4.0098 4.0098 4.0293 4.0293 4.1333 4.1333 4.2173 4.2173 4.2665 4.2665 4.5309 4.5309 4.5620 4.5620 4.8412 4.8412 4.8910 4.8910 4.9703 4.9703 5.5597 5.5597 5.5851 5.5851 7.9042 7.9042 8.4789 8.4789 8.7210 8.7210 8.7767 8.7767 8.9587 8.9587 9.9657 9.9657 11.3011 11.3011 k = 0.0000 0.5000-0.0000 ( 6126 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1152 -26.1152 -26.1134 -26.1134 -7.2665 -7.2665 -6.7547 -6.7547 -6.4476 -6.4476 -6.3803 -6.3803 0.5238 0.5238 1.0268 1.0268 1.1975 1.1975 1.4482 1.4482 2.0740 2.0740 2.0907 2.0907 2.1651 2.1651 2.3131 2.3131 2.5710 2.5710 2.5910 2.5910 3.0888 3.0888 3.2373 3.2373 3.5345 3.5345 3.8717 3.8717 3.9637 3.9637 4.0099 4.0099 4.0302 4.0302 4.1313 4.1313 4.2165 4.2165 4.2665 4.2665 4.5306 4.5306 4.5615 4.5615 4.8422 4.8422 4.8934 4.8934 4.9661 4.9661 5.5595 5.5595 5.5848 5.5848 7.9039 7.9039 8.4795 8.4795 8.7224 8.7224 8.7779 8.7779 8.9601 8.9601 9.9729 9.9729 11.2999 11.2999 k = 0.0000 0.5000-0.0000 ( 6126 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1152 -26.1152 -26.1134 -26.1134 -7.2665 -7.2665 -6.7547 -6.7547 -6.4476 -6.4476 -6.3803 -6.3803 0.5238 0.5238 1.0268 1.0268 1.1975 1.1975 1.4482 1.4482 2.0740 2.0740 2.0907 2.0907 2.1651 2.1651 2.3131 2.3131 2.5710 2.5710 2.5910 2.5910 3.0888 3.0888 3.2373 3.2373 3.5345 3.5345 3.8717 3.8717 3.9637 3.9637 4.0099 4.0099 4.0302 4.0302 4.1313 4.1313 4.2165 4.2165 4.2665 4.2665 4.5306 4.5306 4.5615 4.5615 4.8422 4.8422 4.8934 4.8934 4.9661 4.9661 5.5595 5.5595 5.5848 5.5848 7.9039 7.9039 8.4795 8.4795 8.7224 8.7224 8.7779 8.7779 8.9601 8.9601 9.9729 9.9729 11.2999 11.2999 k = 0.0172 0.5000-0.0000 ( 6118 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1152 -26.1152 -26.1133 -26.1133 -7.2660 -7.2660 -6.7557 -6.7533 -6.4493 -6.4465 -6.3807 -6.3806 0.5240 0.5252 1.0266 1.0273 1.1968 1.1981 1.4478 1.4492 2.0734 2.0744 2.0897 2.0912 2.1643 2.1659 2.3087 2.3176 2.5705 2.5706 2.5904 2.5909 3.0826 3.0927 3.2354 3.2365 3.5346 3.5359 3.8703 3.8724 3.9582 3.9684 3.9993 4.0169 4.0329 4.0331 4.1313 4.1314 4.2136 4.2193 4.2600 4.2761 4.5243 4.5338 4.5544 4.5675 4.8386 4.8482 4.8913 4.8971 4.9608 4.9725 5.5556 5.5618 5.5828 5.5853 7.9017 7.9089 8.4761 8.4854 8.7138 8.7305 8.7740 8.7800 8.9497 8.9732 9.9740 9.9746 11.3000 11.3020 k = 0.0345 0.5000-0.0000 ( 6110 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1152 -26.1152 -26.1133 -26.1133 -7.2645 -7.2645 -6.7563 -6.7516 -6.4517 -6.4460 -6.3818 -6.3816 0.5259 0.5282 1.0267 1.0281 1.1960 1.1985 1.4477 1.4506 2.0723 2.0743 2.0882 2.0913 2.1635 2.1668 2.3045 2.3223 2.5692 2.5693 2.5890 2.5902 3.0742 3.0944 3.2309 3.2329 3.5361 3.5386 3.8681 3.8723 3.9524 3.9710 3.9898 4.0175 4.0377 4.0434 4.1316 4.1316 4.2118 4.2198 4.2586 4.2877 4.5134 4.5350 4.5489 4.5702 4.8379 4.8548 4.8914 4.9026 4.9564 4.9807 5.5503 5.5625 5.5791 5.5841 7.9026 7.9169 8.4749 8.4940 8.7057 8.7360 8.7698 8.7797 8.9422 8.9885 9.9780 9.9792 11.3023 11.3062 k = 0.0517 0.5000-0.0000 ( 6114 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1152 -26.1152 -26.1134 -26.1134 -7.2621 -7.2620 -6.7566 -6.7496 -6.4546 -6.4463 -6.3834 -6.3833 0.5295 0.5329 1.0270 1.0291 1.1950 1.1988 1.4482 1.4525 2.0705 2.0735 2.0864 2.0910 2.1629 2.1678 2.3005 2.3270 2.5667 2.5671 2.5868 2.5891 3.0636 3.0939 3.2238 3.2267 3.5389 3.5426 3.8653 3.8716 3.9468 3.9695 3.9844 4.0165 4.0426 4.0562 4.1321 4.1325 4.2114 4.2170 4.2632 4.3005 4.4982 4.5346 4.5456 4.5694 4.8385 4.8598 4.8951 4.9099 4.9530 4.9912 5.5435 5.5617 5.5739 5.5814 7.9063 7.9276 8.4755 8.5049 8.6991 8.7360 8.7681 8.7770 8.9380 9.0057 9.9847 9.9866 11.3068 11.3122 k = 0.0690 0.5000-0.0000 ( 6104 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1152 -26.1152 -26.1134 -26.1134 -7.2586 -7.2585 -6.7566 -6.7472 -6.4582 -6.4473 -6.3857 -6.3856 0.5346 0.5392 1.0276 1.0304 1.1938 1.1990 1.4493 1.4549 2.0678 2.0720 2.0846 2.0908 2.1624 2.1688 2.2969 2.3319 2.5627 2.5640 2.5841 2.5879 3.0510 3.0913 3.2144 3.2178 3.5429 3.5477 3.8620 3.8703 3.9420 3.9635 3.9839 4.0156 4.0471 4.0687 4.1337 4.1345 4.2121 4.2127 4.2725 4.3144 4.4805 4.5320 4.5438 4.5660 4.8379 4.8620 4.9032 4.9182 4.9518 5.0051 5.5355 5.5593 5.5674 5.5773 7.9129 7.9412 8.4772 8.5180 8.6949 8.7297 8.7699 8.7720 8.9371 9.0242 9.9944 9.9968 11.3133 11.3195 k = 0.0862 0.5000-0.0000 ( 6102 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1152 -26.1152 -26.1134 -26.1134 -7.2542 -7.2540 -6.7561 -6.7445 -6.4624 -6.4491 -6.3886 -6.3885 0.5413 0.5470 1.0284 1.0319 1.1924 1.1989 1.4509 1.4579 2.0641 2.0694 2.0828 2.0910 2.1621 2.1698 2.2937 2.3367 2.5573 2.5598 2.5810 2.5866 3.0365 3.0866 3.2030 3.2065 3.5478 3.5537 3.8584 3.8685 3.9382 3.9568 3.9848 4.0150 4.0508 4.0792 4.1373 4.1373 4.2067 4.2156 4.2844 4.3289 4.4616 4.5264 4.5431 4.5621 4.8347 4.8614 4.9119 4.9259 4.9564 5.0229 5.5265 5.5554 5.5597 5.5722 7.9223 7.9573 8.4793 8.5326 8.6939 8.7200 8.7653 8.7727 8.9397 9.0437 10.0068 10.0097 11.3212 11.3274 k = 0.1034 0.5000-0.0000 ( 6102 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1152 -26.1152 -26.1135 -26.1135 -7.2488 -7.2486 -6.7554 -6.7415 -6.4671 -6.4517 -6.3923 -6.3917 0.5494 0.5563 1.0294 1.0335 1.1908 1.1986 1.4531 1.4615 2.0594 2.0658 2.0813 2.0915 2.1621 2.1709 2.2910 2.3417 2.5504 2.5542 2.5779 2.5853 3.0201 3.0800 3.1896 3.1929 3.5535 3.5605 3.8546 3.8665 3.9354 3.9509 3.9857 4.0147 4.0535 4.0865 4.1407 4.1436 4.2018 4.2201 4.2979 4.3440 4.4424 4.5173 4.5431 4.5593 4.8292 4.8586 4.9150 4.9317 4.9717 5.0442 5.5165 5.5498 5.5513 5.5666 7.9344 7.9760 8.4809 8.5477 8.6966 8.7093 8.7572 8.7751 8.9456 9.0637 10.0221 10.0254 11.3300 11.3350 k = 0.1207 0.5000-0.0000 ( 6122 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1153 -26.1153 -26.1136 -26.1136 -7.2425 -7.2422 -6.7543 -6.7382 -6.4725 -6.4551 -6.3965 -6.3954 0.5590 0.5670 1.0305 1.0354 1.1890 1.1980 1.4560 1.4657 2.0537 2.0612 2.0797 2.0923 2.1624 2.1720 2.2887 2.3466 2.5420 2.5470 2.5749 2.5839 3.0022 3.0716 3.1745 3.1771 3.5597 3.5677 3.8509 3.8644 3.9338 3.9460 3.9864 4.0145 4.0554 4.0904 4.1441 4.1520 4.1986 4.2262 4.3123 4.3592 4.4235 4.5053 4.5439 4.5576 4.8221 4.8540 4.9122 4.9353 4.9958 5.0681 5.5057 5.5423 5.5428 5.5614 7.9490 7.9969 8.4813 8.5619 8.6994 8.7030 8.7486 8.7772 8.9543 9.0839 10.0401 10.0437 11.3385 11.3410 k = 0.1379 0.5000-0.0000 ( 6126 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1153 -26.1153 -26.1136 -26.1136 -7.2353 -7.2350 -6.7528 -6.7347 -6.4784 -6.4594 -6.4012 -6.3993 0.5699 0.5790 1.0319 1.0374 1.1868 1.1972 1.4597 1.4706 2.0475 2.0559 2.0781 2.0935 2.1631 2.1732 2.2870 2.3517 2.5324 2.5383 2.5721 2.5825 2.9829 3.0616 3.1579 3.1595 3.5663 3.5753 3.8476 3.8626 3.9333 3.9423 3.9870 4.0145 4.0567 4.0918 4.1470 4.1596 4.1991 4.2338 4.3270 4.3741 4.4054 4.4917 4.5454 4.5568 4.8138 4.8479 4.9065 4.9370 5.0245 5.0934 5.4941 5.5326 5.5352 5.5572 7.9661 8.0199 8.4803 8.5731 8.6914 8.7109 8.7425 8.7803 8.9655 9.1041 10.0607 10.0647 11.3439 11.3451 k = 0.1552 0.5000-0.0000 ( 6126 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1154 -26.1153 -26.1137 -26.1137 -7.2272 -7.2269 -6.7511 -6.7310 -6.4848 -6.4646 -6.4064 -6.4035 0.5820 0.5923 1.0334 1.0396 1.1842 1.1959 1.4642 1.4763 2.0409 2.0502 2.0763 2.0948 2.1643 2.1744 2.2858 2.3569 2.5215 2.5281 2.5695 2.5810 2.9623 3.0501 3.1400 3.1403 3.5732 3.5829 3.8448 3.8614 3.9340 3.9396 3.9875 4.0146 4.0578 4.0918 4.1491 4.1632 4.2056 4.2421 4.3416 4.3836 4.3936 4.4779 4.5478 4.5564 4.8047 4.8406 4.8989 4.9367 5.0552 5.1187 5.4815 5.5210 5.5296 5.5546 7.9854 8.0447 8.4778 8.5794 8.6859 8.7120 8.7472 8.7862 8.9785 9.1240 10.0841 10.0882 11.3425 11.3480 k = 0.1724 0.5000-0.0000 ( 6126 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1154 -26.1154 -26.1137 -26.1137 -7.2184 -7.2180 -6.7491 -6.7270 -6.4919 -6.4708 -6.4120 -6.4079 0.5953 0.6067 1.0351 1.0418 1.1813 1.1942 1.4697 1.4829 2.0340 2.0441 2.0743 2.0962 2.1660 2.1758 2.2852 2.3621 2.5094 2.5165 2.5670 2.5794 2.9408 3.0373 3.1195 3.1210 3.5800 3.5904 3.8425 3.8608 3.9357 3.9377 3.9879 4.0146 4.0589 4.0910 4.1506 4.1626 4.2174 4.2505 4.3549 4.3713 4.4050 4.4649 4.5511 4.5562 4.7950 4.8322 4.8899 4.9346 5.0864 5.1428 5.4677 5.5079 5.5272 5.5539 8.0068 8.0711 8.4739 8.5801 8.6822 8.7043 8.7644 8.7967 8.9929 9.1433 10.1100 10.1142 11.3360 11.3453 k = 0.1897 0.5000-0.0000 ( 6126 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1154 -26.1154 -26.1138 -26.1138 -7.2088 -7.2084 -6.7468 -6.7229 -6.4994 -6.4778 -6.4180 -6.4125 0.6096 0.6221 1.0368 1.0441 1.1778 1.1920 1.4762 1.4904 2.0272 2.0379 2.0722 2.0975 2.1682 2.1773 2.2852 2.3675 2.4963 2.5037 2.5647 2.5778 2.9185 3.0231 3.0976 3.1009 3.5868 3.5976 3.8409 3.8610 3.9367 3.9384 3.9883 4.0145 4.0599 4.0900 4.1512 4.1601 4.2320 4.2576 4.3590 4.3653 4.4181 4.4547 4.5554 4.5562 4.7848 4.8227 4.8798 4.9305 5.1167 5.1646 5.4528 5.4934 5.5292 5.5557 8.0300 8.0986 8.4691 8.5760 8.6786 8.6938 8.7879 8.8130 9.0082 9.1619 10.1383 10.1425 11.3239 11.3359 k = 0.2069 0.5000-0.0000 ( 6124 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1155 -26.1155 -26.1138 -26.1138 -7.1985 -7.1981 -6.7443 -6.7188 -6.5075 -6.4856 -6.4242 -6.4172 0.6248 0.6384 1.0386 1.0463 1.1738 1.1893 1.4838 1.4988 2.0206 2.0317 2.0698 2.0987 2.1709 2.1790 2.2857 2.3730 2.4821 2.4896 2.5625 2.5760 2.8958 3.0079 3.0747 3.0801 3.5933 3.6044 3.8400 3.8622 3.9363 3.9420 3.9887 4.0142 4.0612 4.0890 4.1513 4.1569 4.2477 4.2618 4.3508 4.3704 4.4305 4.4498 4.5562 4.5608 4.7744 4.8125 4.8685 4.9246 5.1452 5.1833 5.4370 5.4779 5.5361 5.5606 8.0549 8.1271 8.4638 8.5691 8.6740 8.6829 8.8148 8.8345 9.0242 9.1795 10.1690 10.1731 11.3062 11.3193 k = 0.2241 0.5000-0.0000 ( 6126 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1155 -26.1155 -26.1139 -26.1139 -7.1875 -7.1871 -6.7415 -6.7145 -6.5160 -6.4942 -6.4307 -6.4219 0.6408 0.6554 1.0405 1.0486 1.1693 1.1859 1.4926 1.5083 2.0142 2.0258 2.0674 2.0998 2.1740 2.1808 2.2868 2.3787 2.4671 2.4744 2.5604 2.5742 2.8727 2.9916 3.0511 3.0585 3.5995 3.6107 3.8397 3.8644 3.9365 3.9463 3.9892 4.0137 4.0627 4.0881 4.1508 4.1537 4.2614 4.2639 4.3482 4.3681 4.4416 4.4521 4.5563 4.5672 4.7637 4.8014 4.8562 4.9168 5.1709 5.1983 5.4204 5.4616 5.5483 5.5690 8.0810 8.1559 8.4582 8.5608 8.6682 8.6723 8.8441 8.8599 9.0405 9.1961 10.2019 10.2058 11.2830 11.2959 k = 0.2414 0.5000-0.0000 ( 6108 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1155 -26.1155 -26.1139 -26.1139 -7.1760 -7.1756 -6.7386 -6.7103 -6.5248 -6.5034 -6.4372 -6.4268 0.6574 0.6729 1.0424 1.0508 1.1641 1.1818 1.5026 1.5189 2.0084 2.0202 2.0651 2.1006 2.1776 2.1829 2.2885 2.3844 2.4512 2.4583 2.5584 2.5723 2.8496 2.9743 3.0271 3.0364 3.6053 3.6163 3.8402 3.8675 3.9373 3.9513 3.9897 4.0129 4.0645 4.0878 4.1501 4.1508 4.2564 4.2803 4.3514 4.3596 4.4515 4.4606 4.5566 4.5744 4.7530 4.7898 4.8429 4.9071 5.1932 5.2097 5.4036 5.4447 5.5655 5.5813 8.1082 8.1847 8.4527 8.5523 8.6617 8.6625 8.8749 8.8879 9.0571 9.2114 10.2368 10.2405 11.2549 11.2666 k = 0.2586 0.5000-0.0000 ( 6108 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1156 -26.1156 -26.1140 -26.1140 -7.1640 -7.1636 -6.7356 -6.7063 -6.5340 -6.5131 -6.4439 -6.4317 0.6745 0.6910 1.0443 1.0529 1.1583 1.1770 1.5139 1.5306 2.0032 2.0150 2.0629 2.1011 2.1815 2.1851 2.2906 2.3901 2.4345 2.4412 2.5565 2.5704 2.8267 2.9561 3.0031 3.0139 3.6106 3.6214 3.8413 3.8714 3.9384 3.9568 3.9903 4.0117 4.0667 4.0879 4.1481 4.1489 4.2482 4.2966 4.3476 4.3587 4.4603 4.4722 4.5570 4.5820 4.7423 4.7776 4.8286 4.8956 5.2117 5.2179 5.3866 5.4275 5.5869 5.5974 8.1361 8.2130 8.4475 8.5443 8.6535 8.6549 8.9066 8.9172 9.0738 9.2253 10.2737 10.2771 11.2224 11.2322 k = 0.2759 0.5000-0.0000 ( 6124 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1157 -26.1156 -26.1141 -26.1140 -7.1517 -7.1512 -6.7326 -6.7024 -6.5434 -6.5233 -6.4505 -6.4368 0.6919 0.7092 1.0461 1.0548 1.1518 1.1715 1.5264 1.5434 1.9986 2.0104 2.0609 2.1013 2.1855 2.1875 2.2931 2.3957 2.4172 2.4233 2.5548 2.5685 2.8043 2.9368 2.9794 2.9913 3.6154 3.6257 3.8429 3.8760 3.9397 3.9624 3.9909 4.0101 4.0691 4.0887 4.1458 4.1475 4.2385 4.3125 4.3339 4.3685 4.4682 4.4850 4.5577 4.5897 4.7315 4.7651 4.8136 4.8825 5.2237 5.2265 5.3698 5.4101 5.6114 5.6169 8.1644 8.2401 8.4429 8.5375 8.6457 8.6481 8.9386 8.9470 9.0904 9.2377 10.3123 10.3154 11.1861 11.1939 k = 0.2931 0.5000-0.0000 ( 6116 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1157 -26.1157 -26.1141 -26.1141 -7.1390 -7.1385 -6.7295 -6.6989 -6.5527 -6.5336 -6.4569 -6.4419 0.7096 0.7276 1.0478 1.0565 1.1447 1.1651 1.5402 1.5573 1.9948 2.0063 2.0592 2.1011 2.1898 2.1901 2.2959 2.3996 2.3996 2.4063 2.5532 2.5666 2.7827 2.9165 2.9565 2.9687 3.6198 3.6295 3.8453 3.8811 3.9412 3.9680 3.9917 4.0082 4.0720 4.0904 4.1439 4.1459 4.2284 4.3183 4.3297 4.3798 4.4754 4.4978 4.5589 4.5971 4.7210 4.7523 4.7980 4.8679 5.2276 5.2378 5.3536 5.3928 5.6379 5.6393 8.1927 8.2656 8.4390 8.5323 8.6392 8.6417 8.9705 8.9765 9.1069 9.2485 10.3524 10.3552 11.1471 11.1527 k = 0.3103 0.5000-0.0000 ( 6120 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1158 -26.1158 -26.1141 -26.1141 -7.1262 -7.1256 -6.7266 -6.6959 -6.5620 -6.5440 -6.4633 -6.4471 0.7274 0.7460 1.0495 1.0581 1.1369 1.1580 1.5553 1.5722 1.9918 2.0029 2.0580 2.1005 2.1928 2.1940 2.2990 2.3818 2.3846 2.4073 2.5518 2.5646 2.7622 2.8953 2.9347 2.9464 3.6238 3.6327 3.8481 3.8865 3.9427 3.9733 3.9926 4.0058 4.0754 4.0930 4.1423 4.1442 4.2188 4.3040 4.3452 4.3917 4.4821 4.5096 4.5611 4.6036 4.7108 4.7394 4.7818 4.8522 5.2304 5.2461 5.3381 5.3758 5.6636 5.6654 8.2204 8.2886 8.4361 8.5289 8.6340 8.6359 9.0017 9.0053 9.1231 9.2575 10.3939 10.3963 11.1062 11.1097 k = 0.3276 0.5000-0.0000 ( 6112 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1158 -26.1158 -26.1142 -26.1141 -7.1133 -7.1128 -6.7238 -6.6936 -6.5708 -6.5543 -6.4693 -6.4523 0.7451 0.7642 1.0510 1.0593 1.1287 1.1501 1.5713 1.5879 1.9895 2.0002 2.0572 2.0995 2.1956 2.1981 2.3017 2.3646 2.3652 2.4119 2.5505 2.5628 2.7431 2.8734 2.9141 2.9246 3.6273 3.6354 3.8515 3.8921 3.9442 3.9781 3.9936 4.0033 4.0792 4.0966 4.1411 4.1423 4.2099 4.2892 4.3611 4.4040 4.4887 4.5196 4.5648 4.6088 4.7009 4.7267 4.7654 4.8357 5.2324 5.2521 5.3236 5.3593 5.6889 5.6929 8.2473 8.3088 8.4344 8.5274 8.6301 8.6310 9.0320 9.0329 9.1390 9.2646 10.4365 10.4385 11.0644 11.0662 k = 0.3448 0.5000-0.0000 ( 6114 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1159 -26.1159 -26.1142 -26.1142 -7.1006 -7.1000 -6.7213 -6.6922 -6.5789 -6.5641 -6.4750 -6.4575 0.7627 0.7820 1.0523 1.0603 1.1201 1.1416 1.5883 1.6043 1.9880 1.9980 2.0569 2.0982 2.1983 2.2021 2.3030 2.3455 2.3493 2.4158 2.5496 2.5611 2.7257 2.8512 2.8949 2.9036 3.6305 3.6376 3.8554 3.8975 3.9454 3.9819 3.9947 4.0009 4.0836 4.1011 4.1402 4.1404 4.2020 4.2744 4.3769 4.4164 4.4953 4.5271 4.5704 4.6122 4.6915 4.7143 4.7488 4.8186 5.2341 5.2561 5.3104 5.3435 5.7143 5.7197 8.2726 8.3258 8.4342 8.5277 8.6271 8.6275 9.0591 9.0608 9.1542 9.2699 10.4800 10.4817 11.0228 11.0231 k = 0.3621 0.5000-0.0000 ( 6110 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1159 -26.1159 -26.1142 -26.1142 -7.0881 -7.0876 -6.7192 -6.6918 -6.5861 -6.5734 -6.4802 -6.4627 0.7799 0.7992 1.0534 1.0610 1.1113 1.1326 1.6059 1.6211 1.9871 1.9964 2.0572 2.0965 2.2010 2.2058 2.2999 2.3258 2.3392 2.4188 2.5489 2.5594 2.7105 2.8292 2.8770 2.8837 3.6332 3.6395 3.8598 3.9027 3.9462 3.9842 3.9958 3.9988 4.0886 4.1063 4.1386 4.1396 4.1951 4.2598 4.3927 4.4287 4.5022 4.5319 4.5778 4.6133 4.6828 4.7028 4.7324 4.8013 5.2355 5.2587 5.2987 5.3286 5.7390 5.7451 8.2957 8.3395 8.4358 8.5293 8.6244 8.6261 9.0838 9.0879 9.1685 9.2732 10.5240 10.5255 10.9815 10.9824 k = 0.3793 0.5000-0.0000 ( 6114 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1160 -26.1160 -26.1142 -26.1142 -7.0762 -7.0757 -6.7175 -6.6926 -6.5922 -6.5818 -6.4849 -6.4678 0.7966 0.8156 1.0542 1.0613 1.1025 1.1233 1.6237 1.6379 1.9868 1.9952 2.0579 2.0945 2.2035 2.2090 2.2898 2.3066 2.3370 2.4204 2.5484 2.5579 2.6978 2.8077 2.8604 2.8651 3.6356 3.6410 3.8645 3.9072 3.9468 3.9845 3.9970 3.9980 4.0941 4.1121 4.1369 4.1393 4.1891 4.2455 4.4085 4.4407 4.5096 4.5346 4.5864 4.6115 4.6749 4.6926 4.7162 4.7841 5.2367 5.2602 5.2885 5.3147 5.7623 5.7685 8.3160 8.3500 8.4395 8.5312 8.6232 8.6258 9.1069 9.1130 9.1818 9.2745 10.5683 10.5695 10.9423 10.9440 k = 0.3966 0.5000-0.0000 ( 6118 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1160 -26.1160 -26.1143 -26.1143 -7.0650 -7.0646 -6.7164 -6.6946 -6.5970 -6.5890 -6.4889 -6.4728 0.8126 0.8309 1.0544 1.0612 1.0944 1.1139 1.6413 1.6543 1.9870 1.9944 2.0590 2.0922 2.2057 2.2117 2.2759 2.2883 2.3403 2.4204 2.5483 2.5564 2.6880 2.7872 2.8453 2.8483 3.6376 3.6422 3.8696 3.9109 3.9472 3.9826 3.9981 3.9985 4.1003 4.1179 4.1356 4.1394 4.1840 4.2315 4.4242 4.4522 4.5176 4.5356 4.5950 4.6065 4.6681 4.6839 4.7008 4.7673 5.2379 5.2609 5.2800 5.3020 5.7836 5.7895 8.3328 8.3579 8.4456 8.5327 8.6233 8.6263 9.1284 9.1357 9.1936 9.2738 10.6123 10.6135 10.9066 10.9087 k = 0.4138 0.5000-0.0000 ( 6128 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1161 -26.1161 -26.1143 -26.1143 -7.0549 -7.0545 -6.7158 -6.6976 -6.6006 -6.5951 -6.4921 -6.4775 0.8277 0.8448 1.0540 1.0604 1.0873 1.1048 1.6582 1.6697 1.9876 1.9939 2.0606 2.0895 2.2074 2.2137 2.2614 2.2715 2.3462 2.4187 2.5484 2.5551 2.6813 2.7678 2.8318 2.8334 3.6394 3.6431 3.8750 3.9134 3.9478 3.9796 3.9991 3.9994 4.1069 4.1231 4.1349 4.1402 4.1796 4.2178 4.4398 4.4631 4.5264 4.5354 4.5984 4.6026 4.6628 4.6769 4.6868 4.7512 5.2391 5.2609 5.2733 5.2906 5.8025 5.8078 8.3460 8.3636 8.4541 8.5328 8.6248 8.6275 9.1484 9.1560 9.2035 9.2711 10.6555 10.6566 10.8749 10.8773 k = 0.4310 0.5000-0.0000 ( 6120 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1161 -26.1161 -26.1143 -26.1143 -7.0460 -7.0456 -6.7156 -6.7011 -6.6032 -6.5997 -6.4945 -6.4820 0.8415 0.8569 1.0526 1.0590 1.0819 1.0964 1.6738 1.6834 1.9884 1.9936 2.0626 2.0866 2.2085 2.2147 2.2485 2.2569 2.3534 2.4152 2.5487 2.5540 2.6780 2.7499 2.8202 2.8209 3.6409 3.6438 3.8806 3.9143 3.9490 3.9760 4.0001 4.0004 4.1139 4.1272 4.1349 4.1422 4.1755 4.2047 4.4553 4.4733 4.5343 4.5361 4.5877 4.6076 4.6593 4.6713 4.6755 4.7359 5.2404 5.2605 5.2684 5.2807 5.8185 5.8230 8.3557 8.3675 8.4643 8.5313 8.6270 8.6292 9.1670 9.1736 9.2115 9.2665 10.6968 10.6979 10.8482 10.8504 k = 0.4483 0.5000-0.0000 ( 6124 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1161 -26.1161 -26.1143 -26.1143 -7.0386 -7.0384 -6.7155 -6.7049 -6.6050 -6.6031 -6.4960 -6.4860 0.8538 0.8665 1.0505 1.0567 1.0786 1.0894 1.6873 1.6949 1.9893 1.9933 2.0649 2.0834 2.2088 2.2142 2.2386 2.2453 2.3615 2.4100 2.5491 2.5530 2.6779 2.7336 2.8108 2.8109 3.6421 3.6443 3.8863 3.9134 3.9508 3.9721 4.0008 4.0012 4.1206 4.1293 4.1363 4.1457 4.1717 4.1919 4.4704 4.4825 4.5325 4.5466 4.5753 4.6081 4.6573 4.6666 4.6693 4.7216 5.2419 5.2594 5.2651 5.2725 5.8314 5.8349 8.3624 8.3701 8.4756 8.5280 8.6294 8.6309 9.1841 9.1883 9.2171 9.2600 10.7348 10.7359 10.8270 10.8289 k = 0.4655 0.5000-0.0000 ( 6120 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1161 -26.1161 -26.1143 -26.1143 -7.0332 -7.0330 -6.7153 -6.7084 -6.6061 -6.6053 -6.4965 -6.4896 0.8640 0.8732 1.0485 1.0537 1.0771 1.0840 1.6980 1.7033 1.9902 1.9929 2.0675 2.0801 2.2081 2.2119 2.2329 2.2373 2.3700 2.4034 2.5496 2.5521 2.6809 2.7189 2.8036 2.8037 3.6430 3.6445 3.8920 3.9110 3.9535 3.9681 4.0014 4.0017 4.1256 4.1301 4.1405 4.1502 4.1679 4.1798 4.4842 4.4904 4.5308 4.5565 4.5634 4.6031 4.6558 4.6626 4.6702 4.7083 5.2439 5.2572 5.2632 5.2667 5.8410 5.8434 8.3670 8.3716 8.4870 8.5228 8.6316 8.6324 9.1994 9.2000 9.2206 9.2518 10.7667 10.7678 10.8120 10.8133 k = 0.4828 0.5000-0.0000 ( 6128 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1162 -26.1162 -26.1143 -26.1143 -7.0298 -7.0297 -6.7147 -6.7113 -6.6068 -6.6065 -6.4961 -6.4925 0.8715 0.8763 1.0477 1.0507 1.0771 1.0804 1.7054 1.7080 1.9911 1.9924 2.0704 2.0768 2.2072 2.2089 2.2308 2.2328 2.3788 2.3958 2.5502 2.5514 2.6869 2.7061 2.7992 2.7994 3.6437 3.6444 3.8975 3.9073 3.9567 3.9641 4.0018 4.0020 4.1281 4.1300 4.1479 4.1549 4.1639 4.1683 4.4948 4.4964 4.5312 4.5479 4.5706 4.5938 4.6556 4.6593 4.6764 4.6962 5.2464 5.2537 5.2623 5.2636 5.8470 5.8482 8.3699 8.3721 8.4978 8.5159 8.6331 8.6334 9.2085 9.2111 9.2235 9.2421 10.7876 10.7883 10.8047 10.8053 k = 0.5000 0.5000-0.0000 ( 6152 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1162 -26.1162 -26.1144 -26.1144 -7.0286 -7.0286 -6.7134 -6.7134 -6.6069 -6.6069 -6.4947 -6.4947 0.8757 0.8757 1.0484 1.0484 1.0781 1.0781 1.7088 1.7088 1.9918 1.9918 2.0735 2.0735 2.2071 2.2071 2.2308 2.2308 2.3874 2.3874 2.5507 2.5507 2.6953 2.6953 2.7978 2.7978 3.6441 3.6441 3.9027 3.9027 3.9603 3.9603 4.0019 4.0019 4.1293 4.1293 4.1570 4.1570 4.1599 4.1599 4.4988 4.4988 4.5370 4.5370 4.5824 4.5824 4.6568 4.6568 4.6854 4.6854 5.2497 5.2497 5.2624 5.2624 5.8494 5.8494 8.3715 8.3715 8.5075 8.5075 8.6337 8.6337 9.2133 9.2133 9.2315 9.2315 10.7927 10.7927 10.8054 10.8054 k = 0.5000 0.5000-0.0000 ( 6152 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1162 -26.1162 -26.1144 -26.1144 -7.0286 -7.0286 -6.7134 -6.7134 -6.6069 -6.6069 -6.4947 -6.4947 0.8757 0.8757 1.0484 1.0484 1.0781 1.0781 1.7088 1.7088 1.9918 1.9918 2.0735 2.0735 2.2071 2.2071 2.2308 2.2308 2.3874 2.3874 2.5507 2.5507 2.6953 2.6953 2.7978 2.7978 3.6441 3.6441 3.9027 3.9027 3.9603 3.9603 4.0019 4.0019 4.1293 4.1293 4.1570 4.1570 4.1599 4.1599 4.4988 4.4988 4.5370 4.5370 4.5824 4.5824 4.6568 4.6568 4.6854 4.6854 5.2497 5.2497 5.2624 5.2624 5.8494 5.8494 8.3715 8.3715 8.5075 8.5075 8.6337 8.6337 9.2133 9.2133 9.2315 9.2315 10.7927 10.7927 10.8054 10.8054 k = 0.4875 0.4875-0.0000 ( 6124 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1162 -26.1162 -26.1143 -26.1143 -7.0298 -7.0297 -6.7147 -6.7112 -6.6068 -6.6065 -6.4961 -6.4924 0.8713 0.8763 1.0473 1.0509 1.0771 1.0806 1.7052 1.7080 1.9911 1.9925 2.0703 2.0769 2.2073 2.2090 2.2308 2.2328 2.3785 2.3960 2.5502 2.5514 2.6868 2.7063 2.7994 2.7994 3.6437 3.6444 3.8974 3.9074 3.9566 3.9643 4.0018 4.0020 4.1281 4.1301 4.1473 4.1576 4.1599 4.1702 4.4951 4.4958 4.5314 4.5481 4.5703 4.5940 4.6555 4.6594 4.6763 4.6965 5.2464 5.2538 5.2624 5.2635 5.8469 5.8481 8.3699 8.3720 8.4975 8.5162 8.6331 8.6334 9.2066 9.2132 9.2229 9.2423 10.7860 10.7867 10.8062 10.8066 k = 0.4750 0.4750-0.0000 ( 6124 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1161 -26.1161 -26.1143 -26.1143 -7.0334 -7.0333 -6.7151 -6.7083 -6.6059 -6.6055 -6.4966 -6.4893 0.8635 0.8731 1.0458 1.0536 1.0785 1.0859 1.6975 1.7029 1.9902 1.9929 2.0674 2.0803 2.2092 2.2126 2.2325 2.2366 2.3697 2.4041 2.5497 2.5521 2.6813 2.7186 2.8037 2.8045 3.6430 3.6445 3.8917 3.9113 3.9530 3.9685 4.0013 4.0018 4.1256 4.1303 4.1392 4.1551 4.1599 4.1839 4.4839 4.4893 4.5321 4.5559 4.5633 4.6035 4.6554 4.6630 4.6705 4.7088 5.2437 5.2579 5.2640 5.2656 5.8406 5.8430 8.3671 8.3715 8.4860 8.5233 8.6315 8.6322 9.1913 9.2099 9.2182 9.2514 10.7589 10.7599 10.8201 10.8201 k = 0.4625 0.4625-0.0000 ( 6130 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1161 -26.1161 -26.1143 -26.1143 -7.0393 -7.0391 -6.7146 -6.7045 -6.6045 -6.6038 -6.4962 -6.4855 0.8531 0.8666 1.0415 1.0524 1.0859 1.0955 1.6858 1.6937 1.9891 1.9932 2.0648 2.0837 2.2125 2.2177 2.2357 2.2420 2.3616 2.4120 2.5492 2.5530 2.6793 2.7313 2.8104 2.8136 3.6420 3.6443 3.8860 3.9142 3.9494 3.9728 4.0005 4.0013 4.1214 4.1302 4.1337 4.1515 4.1600 4.1989 4.4691 4.4812 4.5356 4.5455 4.5748 4.6083 4.6564 4.6666 4.6710 4.7222 5.2419 5.2609 5.2682 5.2684 5.8308 5.8343 8.3632 8.3698 8.4732 8.5291 8.6292 8.6302 9.1717 9.2044 9.2134 9.2579 10.7178 10.7196 10.8446 10.8451 k = 0.4500 0.4500-0.0000 ( 6118 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1161 -26.1161 -26.1143 -26.1143 -7.0473 -7.0472 -6.7131 -6.7002 -6.6024 -6.6015 -6.4949 -6.4811 0.8408 0.8574 1.0339 1.0462 1.0997 1.1093 1.6708 1.6810 1.9879 1.9932 2.0628 2.0871 2.2168 2.2241 2.2400 2.2483 2.3554 2.4203 2.5490 2.5539 2.6809 2.7436 2.8194 2.8269 3.6408 3.6439 3.8804 3.9161 3.9457 3.9771 3.9992 4.0007 4.1162 4.1297 4.1297 4.1469 4.1611 4.2153 4.4531 4.4719 4.5349 4.5397 4.5864 4.6070 4.6586 4.6726 4.6772 4.7366 5.2408 5.2635 5.2721 5.2742 5.8177 5.8222 8.3583 8.3672 8.4592 8.5333 8.6262 8.6275 9.1492 9.1967 9.2071 9.2615 10.6682 10.6708 10.8784 10.8794 k = 0.4375 0.4375-0.0000 ( 6122 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1161 -26.1160 -26.1143 -26.1143 -7.0573 -7.0573 -6.7108 -6.6952 -6.5997 -6.5987 -6.4928 -6.4761 0.8271 0.8463 1.0233 1.0365 1.1178 1.1266 1.6528 1.6650 1.9867 1.9931 2.0613 2.0903 2.2219 2.2314 2.2449 2.2544 2.3524 2.4298 2.5488 2.5550 2.6857 2.7552 2.8302 2.8439 3.6393 3.6432 3.8749 3.9170 3.9419 3.9809 3.9973 3.9999 4.1112 4.1258 4.1281 4.1421 4.1637 4.2327 4.4368 4.4616 4.5252 4.5436 4.5965 4.6011 4.6616 4.6808 4.6872 4.7522 5.2405 5.2665 5.2764 5.2810 5.8019 5.8072 8.3524 8.3636 8.4440 8.5360 8.6227 8.6244 9.1245 9.1870 9.1989 9.2623 10.6128 10.6162 10.9203 10.9221 k = 0.4250 0.4250-0.0000 ( 6120 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1160 -26.1160 -26.1143 -26.1143 -7.0692 -7.0691 -6.7077 -6.6898 -6.5964 -6.5952 -6.4900 -6.4708 0.8123 0.8336 1.0099 1.0240 1.1388 1.1466 1.6324 1.6465 1.9853 1.9928 2.0605 2.0933 2.2275 2.2396 2.2499 2.2586 2.3542 2.4413 2.5488 2.5564 2.6933 2.7663 2.8429 2.8641 3.6375 3.6424 3.8698 3.9173 3.9380 3.9840 3.9947 3.9987 4.1068 4.1215 4.1242 4.1385 4.1685 4.2510 4.4205 4.4505 4.5167 4.5471 4.5928 4.6048 4.6656 4.6889 4.7010 4.7687 5.2408 5.2702 5.2813 5.2880 5.7838 5.7897 8.3456 8.3591 8.4277 8.5372 8.6188 8.6210 9.0978 9.1753 9.1886 9.2601 10.5532 10.5572 10.9691 10.9720 k = 0.4125 0.4125-0.0000 ( 6120 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1159 -26.1159 -26.1143 -26.1143 -7.0827 -7.0825 -6.7037 -6.6840 -6.5924 -6.5912 -6.4865 -6.4652 0.7967 0.8197 0.9941 1.0091 1.1620 1.1687 1.6102 1.6258 1.9839 1.9923 2.0605 2.0960 2.2332 2.2485 2.2548 2.2599 2.3618 2.4556 2.5490 2.5580 2.7032 2.7773 2.8570 2.8863 3.6356 3.6414 3.8650 3.9171 3.9340 3.9861 3.9910 3.9971 4.1033 4.1167 4.1174 4.1370 4.1757 4.2703 4.4045 4.4389 4.5093 4.5500 4.5834 4.6111 4.6704 4.6971 4.7170 4.7861 5.2416 5.2750 5.2866 5.2947 5.7642 5.7704 8.3381 8.3539 8.4106 8.5367 8.6147 8.6176 9.0694 9.1616 9.1761 9.2550 10.4902 10.4946 11.0236 11.0278 k = 0.4000 0.4000-0.0000 ( 6108 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1159 -26.1159 -26.1142 -26.1142 -7.0977 -7.0973 -6.6991 -6.6778 -6.5879 -6.5866 -6.4826 -6.4595 0.7805 0.8047 0.9762 0.9920 1.1871 1.1926 1.5864 1.6033 1.9825 1.9916 2.0613 2.0984 2.2385 2.2562 2.2603 2.2608 2.3748 2.4730 2.5495 2.5600 2.7147 2.7884 2.8725 2.9100 3.6333 3.6403 3.8606 3.9166 3.9301 3.9858 3.9874 3.9949 4.1007 4.1089 4.1118 4.1369 4.1853 4.2901 4.3889 4.4268 4.5030 4.5523 4.5737 4.6153 4.6761 4.7054 4.7343 4.8043 5.2427 5.2807 5.2921 5.3006 5.7439 5.7500 8.3299 8.3480 8.3926 8.5344 8.6104 8.6143 9.0397 9.1459 9.1614 9.2471 10.4245 10.4291 11.0822 11.0880 k = 0.3875 0.3875-0.0000 ( 6100 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1158 -26.1158 -26.1142 -26.1142 -7.1139 -7.1133 -6.6939 -6.6713 -6.5828 -6.5814 -6.4782 -6.4537 0.7635 0.7887 0.9563 0.9728 1.2137 1.2179 1.5615 1.5795 1.9811 1.9907 2.0630 2.1003 2.2430 2.2544 2.2671 2.2705 2.3919 2.4931 2.5503 2.5624 2.7275 2.7999 2.8889 2.9344 3.6309 3.6390 3.8565 3.9160 3.9263 3.9793 3.9875 3.9918 4.0991 4.0996 4.1071 4.1377 4.1969 4.3106 4.3737 4.4145 4.4975 4.5530 4.5646 4.6174 4.6825 4.7135 4.7527 4.8230 5.2436 5.2876 5.2977 5.3051 5.7237 5.7295 8.3214 8.3415 8.3740 8.5303 8.6061 8.6113 9.0088 9.1282 9.1444 9.2364 10.3565 10.3608 11.1435 11.1510 k = 0.3750 0.3750-0.0000 ( 6110 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1157 -26.1157 -26.1142 -26.1142 -7.1311 -7.1304 -6.6880 -6.6645 -6.5772 -6.5757 -6.4736 -6.4479 0.7460 0.7719 0.9347 0.9517 1.2414 1.2445 1.5359 1.5548 1.9797 1.9897 2.0654 2.1015 2.2469 2.2511 2.2756 2.2823 2.4120 2.5159 2.5514 2.5652 2.7412 2.8117 2.9062 2.9591 3.6281 3.6374 3.8526 3.9151 3.9228 3.9709 3.9871 3.9874 4.0904 4.0984 4.1027 4.1389 4.2104 4.3315 4.3588 4.4020 4.4926 4.5485 4.5602 4.6175 4.6895 4.7212 4.7721 4.8422 5.2435 5.2954 5.3037 5.3077 5.7045 5.7096 8.3125 8.3344 8.3551 8.5242 8.6018 8.6087 8.9769 9.1085 9.1251 9.2231 10.2865 10.2903 11.2055 11.2150 k = 0.3625 0.3625-0.0000 ( 6102 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1156 -26.1156 -26.1141 -26.1141 -7.1492 -7.1484 -6.6817 -6.6574 -6.5710 -6.5695 -6.4687 -6.4423 0.7279 0.7541 0.9114 0.9289 1.2701 1.2718 1.5099 1.5295 1.9782 1.9885 2.0682 2.1019 2.2483 2.2508 2.2858 2.2951 2.4342 2.5406 2.5529 2.5686 2.7556 2.8240 2.9242 2.9836 3.6251 3.6356 3.8490 3.9143 3.9197 3.9607 3.9813 3.9862 4.0821 4.0987 4.0992 4.1407 4.2254 4.3443 4.3527 4.3898 4.4882 4.5388 4.5604 4.6161 4.6970 4.7284 4.7925 4.8617 5.2416 5.3017 5.3103 5.3104 5.6872 5.6915 8.3035 8.3258 8.3370 8.5164 8.5974 8.6064 8.9442 9.0869 9.1035 9.2071 10.2147 10.2176 11.2668 11.2782 k = 0.3500 0.3500-0.0000 ( 6098 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1155 -26.1155 -26.1141 -26.1141 -7.1679 -7.1670 -6.6748 -6.6501 -6.5643 -6.5628 -6.4637 -6.4369 0.7091 0.7355 0.8867 0.9045 1.2993 1.2996 1.4838 1.5043 1.9768 1.9871 2.0713 2.1014 2.2470 2.2556 2.2973 2.3089 2.4579 2.5547 2.5647 2.5746 2.7705 2.8367 2.9424 3.0078 3.6218 3.6335 3.8457 3.9131 3.9170 3.9492 3.9731 3.9852 4.0753 4.0956 4.1006 4.1429 4.2414 4.3302 4.3740 4.3779 4.4841 4.5279 4.5616 4.6135 4.7046 4.7349 4.8139 4.8814 5.2367 5.2996 5.3184 5.3189 5.6726 5.6760 8.2945 8.3115 8.3241 8.5068 8.5928 8.6044 8.9110 9.0635 9.0797 9.1887 10.1413 10.1432 11.3257 11.3388 k = 0.3375 0.3375-0.0000 ( 6106 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1155 -26.1155 -26.1141 -26.1141 -7.1872 -7.1862 -6.6676 -6.6427 -6.5573 -6.5556 -6.4587 -6.4317 0.6899 0.7161 0.8607 0.8788 1.3268 1.3283 1.4585 1.4799 1.9753 1.9857 2.0740 2.0997 2.2477 2.2619 2.3100 2.3235 2.4828 2.5570 2.5739 2.5973 2.7857 2.8497 2.9609 3.0313 3.6182 3.6310 3.8427 3.9108 3.9149 3.9374 3.9627 3.9843 4.0704 4.0929 4.1032 4.1456 4.2579 4.3165 4.3664 4.3953 4.4800 4.5165 4.5629 4.6099 4.7122 4.7404 4.8363 4.9015 5.2279 5.2913 5.3281 5.3310 5.6614 5.6638 8.2856 8.2924 8.3158 8.4957 8.5879 8.6023 8.8775 9.0384 9.0538 9.1679 10.0665 10.0671 11.3807 11.3953 k = 0.3250 0.3250-0.0000 ( 6106 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1154 -26.1154 -26.1140 -26.1140 -7.2069 -7.2058 -6.6599 -6.6351 -6.5498 -6.5481 -6.4538 -6.4268 0.6701 0.6960 0.8337 0.8518 1.3514 1.3550 1.4361 1.4588 1.9739 1.9841 2.0760 2.0970 2.2513 2.2701 2.3238 2.3390 2.5085 2.5597 2.5784 2.6260 2.8012 2.8630 2.9793 3.0539 3.6144 3.6281 3.8400 3.9047 3.9129 3.9282 3.9505 3.9836 4.0675 4.0907 4.1066 4.1486 4.2745 4.3031 4.3559 4.4165 4.4757 4.5048 4.5644 4.6060 4.7195 4.7451 4.8599 4.9220 5.2148 5.2783 5.3400 5.3448 5.6536 5.6553 8.2724 8.2767 8.3084 8.4832 8.5826 8.5999 8.8437 9.0118 9.0260 9.1449 9.9897 9.9906 11.4307 11.4464 k = 0.3125 0.3125-0.0000 ( 6102 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1152 -26.1152 -26.1140 -26.1140 -7.2268 -7.2257 -6.6519 -6.6273 -6.5419 -6.5402 -6.4489 -6.4223 0.6499 0.6753 0.8057 0.8239 1.3664 1.3697 1.4263 1.4477 1.9725 1.9825 2.0768 2.0931 2.2578 2.2802 2.3384 2.3552 2.5346 2.5633 2.5828 2.6557 2.8170 2.8766 2.9976 3.0754 3.6102 3.6246 3.8378 3.8925 3.9103 3.9241 3.9379 3.9835 4.0666 4.0892 4.1109 4.1521 4.2900 4.2901 4.3470 4.4374 4.4710 4.4927 4.5661 4.6020 4.7264 4.7489 4.8847 4.9432 5.1977 5.2611 5.3537 5.3599 5.6492 5.6504 8.2521 8.2680 8.3015 8.4696 8.5768 8.5971 8.8101 8.9838 8.9964 9.1199 9.9112 9.9137 11.4751 11.4914 k = 0.3000 0.3000-0.0000 ( 6084 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1151 -26.1151 -26.1139 -26.1139 -7.2468 -7.2457 -6.6437 -6.6195 -6.5337 -6.5320 -6.4440 -6.4180 0.6294 0.6541 0.7771 0.7951 1.3589 1.3622 1.4424 1.4562 1.9711 1.9808 2.0761 2.0883 2.2677 2.2923 2.3538 2.3720 2.5577 2.5708 2.5874 2.6858 2.8330 2.8905 3.0155 3.0957 3.6057 3.6205 3.8358 3.8763 3.9045 3.9233 3.9282 3.9842 4.0674 4.0883 4.1160 4.1559 4.2776 4.3017 4.3424 4.4580 4.4658 4.4805 4.5681 4.5984 4.7328 4.7519 4.9107 4.9650 5.1772 5.2401 5.3693 5.3763 5.6479 5.6487 8.2319 8.2593 8.2948 8.4550 8.5703 8.5935 8.7767 8.9548 8.9653 9.0929 9.8317 9.8359 11.5134 11.5299 k = 0.2875 0.2875-0.0000 ( 6100 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1150 -26.1150 -26.1139 -26.1139 -7.2668 -7.2658 -6.6352 -6.6117 -6.5253 -6.5235 -6.4394 -6.4141 0.6085 0.6324 0.7478 0.7657 1.3367 1.3439 1.4704 1.4792 1.9697 1.9789 2.0739 2.0827 2.2807 2.3062 2.3698 2.3893 2.5668 2.5920 2.5931 2.7159 2.8494 2.9045 3.0330 3.1146 3.6007 3.6155 3.8335 3.8581 3.8933 3.9236 3.9243 3.9858 4.0697 4.0877 4.1217 4.1599 4.2655 4.3045 4.3467 4.4599 4.4679 4.4780 4.5704 4.5953 4.7386 4.7541 4.9379 4.9877 5.1540 5.2161 5.3862 5.3936 5.6490 5.6496 8.2119 8.2507 8.2884 8.4398 8.5628 8.5890 8.7437 8.9248 8.9330 9.0642 9.7514 9.7573 11.5458 11.5622 k = 0.2750 0.2750-0.0000 ( 6106 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1149 -26.1149 -26.1139 -26.1139 -7.2867 -7.2857 -6.6266 -6.6039 -6.5166 -6.5148 -6.4349 -6.4106 0.5875 0.6104 0.7182 0.7358 1.3120 1.3206 1.5012 1.5075 1.9683 1.9771 2.0704 2.0764 2.2966 2.3218 2.3864 2.4071 2.5715 2.5968 2.6206 2.7457 2.8663 2.9187 3.0499 3.1320 3.5954 3.6098 3.8296 3.8387 3.8807 3.9243 3.9244 3.9887 4.0732 4.0878 4.1279 4.1641 4.2539 4.2996 4.3585 4.4534 4.4552 4.4973 4.5731 4.5932 4.7438 4.7556 4.9665 5.0114 5.1289 5.1900 5.4043 5.4117 5.6519 5.6523 8.1921 8.2419 8.2823 8.4241 8.5543 8.5832 8.7115 8.8944 8.8998 9.0340 9.6706 9.6782 11.5723 11.5887 k = 0.2625 0.2625-0.0000 ( 6102 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1148 -26.1148 -26.1139 -26.1139 -7.3064 -7.3055 -6.6179 -6.5961 -6.5078 -6.5059 -6.4305 -6.4074 0.5664 0.5883 0.6885 0.7056 1.2869 1.2957 1.5329 1.5378 1.9669 1.9752 2.0657 2.0696 2.3149 2.3388 2.4035 2.4253 2.5760 2.6017 2.6489 2.7747 2.8839 2.9332 3.0662 3.1479 3.5896 3.6031 3.8184 3.8214 3.8717 3.9254 3.9260 3.9929 4.0780 4.0883 4.1346 4.1683 4.2431 4.2921 4.3723 4.4424 4.4471 4.5159 4.5763 4.5922 4.7484 4.7567 4.9964 5.0358 5.1031 5.1625 5.4232 5.4304 5.6560 5.6563 8.1727 8.2327 8.2765 8.4082 8.5445 8.5758 8.6804 8.8637 8.8660 9.0025 9.5892 9.5986 11.5936 11.6077 k = 0.2500 0.2500-0.0000 ( 6094 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1147 -26.1147 -26.1138 -26.1138 -7.3258 -7.3249 -6.6091 -6.5884 -6.4988 -6.4970 -6.4263 -6.4045 0.5453 0.5662 0.6587 0.6754 1.2619 1.2705 1.5647 1.5688 1.9655 1.9733 2.0601 2.0625 2.3352 2.3570 2.4210 2.4437 2.5805 2.6067 2.6775 2.8026 2.9023 2.9479 3.0818 3.1622 3.5833 3.5957 3.7974 3.8072 3.8688 3.9265 3.9289 3.9987 4.0839 4.0894 4.1417 4.1722 4.2334 4.2837 4.3842 4.4297 4.4424 4.5332 4.5802 4.5923 4.7524 4.7574 5.0274 5.0556 5.0826 5.1343 5.4426 5.4494 5.6610 5.6611 8.1539 8.2231 8.2709 8.3924 8.5334 8.5665 8.6508 8.8320 8.8332 8.9700 9.5076 9.5187 11.6112 11.6199 k = 0.2375 0.2375-0.0000 ( 6114 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1146 -26.1146 -26.1138 -26.1138 -7.3448 -7.3440 -6.6003 -6.5808 -6.4898 -6.4880 -6.4222 -6.4019 0.5244 0.5441 0.6291 0.6452 1.2373 1.2453 1.5962 1.5998 1.9641 1.9713 2.0539 2.0551 2.3569 2.3762 2.4386 2.4621 2.5852 2.6117 2.7062 2.8288 2.9220 2.9628 3.0966 3.1750 3.5764 3.5874 3.7759 3.7884 3.8706 3.9276 3.9325 4.0058 4.0907 4.0908 4.1491 4.1753 4.2251 4.2753 4.3906 4.4170 4.4425 4.5487 4.5854 4.5935 4.7559 4.7579 5.0417 5.0582 5.0971 5.1071 5.4620 5.4684 5.6662 5.6662 8.1356 8.2126 8.2656 8.3770 8.5207 8.5548 8.6232 8.7982 8.8031 8.9365 9.4259 9.4385 11.6271 11.6320 k = 0.2250 0.2250-0.0000 ( 6120 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1145 -26.1145 -26.1138 -26.1137 -7.3633 -7.3626 -6.5916 -6.5735 -6.4808 -6.4790 -6.4183 -6.3996 0.5037 0.5223 0.5998 0.6153 1.2133 1.2206 1.6273 1.6304 1.9626 1.9694 2.0472 2.0475 2.3796 2.3961 2.4564 2.4805 2.5901 2.6167 2.7350 2.8530 2.9429 2.9780 3.1107 3.1861 3.5690 3.5783 3.7539 3.7672 3.8753 3.9286 3.9369 4.0145 4.0928 4.0984 4.1566 4.1767 4.2193 4.2672 4.3890 4.4044 4.4500 4.5615 4.5928 4.5958 4.7584 4.7590 5.0155 5.0681 5.1021 5.1255 5.4814 5.4872 5.6713 5.6716 8.1180 8.2011 8.2603 8.3622 8.5064 8.5400 8.5984 8.7650 8.7737 8.9025 9.3441 9.3582 11.6426 11.6452 k = 0.2125 0.2125-0.0000 ( 6122 PWs) bands (ev): -61.7750 -61.7750 -34.7251 -34.7251 -26.1144 -26.1144 -26.1137 -26.1137 -7.3812 -7.3806 -6.5830 -6.5663 -6.4719 -6.4701 -6.4146 -6.3976 0.4835 0.5010 0.5710 0.5859 1.1899 1.1965 1.6578 1.6606 1.9612 1.9675 2.0400 2.0402 2.4029 2.4165 2.4742 2.4987 2.5952 2.6215 2.7635 2.8751 2.9652 2.9935 3.1239 3.1958 3.5610 3.5686 3.7316 3.7447 3.8816 3.9297 3.9423 4.0246 4.0952 4.1070 4.1644 4.1755 4.2169 4.2593 4.3816 4.3920 4.4625 4.5707 4.5990 4.6030 4.7590 4.7617 4.9887 5.0430 5.1338 5.1567 5.5003 5.5056 5.6761 5.6767 8.1013 8.1885 8.2552 8.3484 8.4906 8.5219 8.5768 8.7327 8.7454 8.8682 9.2626 9.2780 11.6586 11.6599 k = 0.2000 0.2000-0.0000 ( 6114 PWs) bands (ev): -61.7750 -61.7750 -34.7251 -34.7251 -26.1143 -26.1143 -26.1137 -26.1137 -7.3985 -7.3980 -6.5746 -6.5595 -6.4630 -6.4613 -6.4110 -6.3958 0.4638 0.4801 0.5428 0.5571 1.1674 1.1732 1.6875 1.6901 1.9598 1.9655 2.0326 2.0332 2.4265 2.4371 2.4919 2.5166 2.6004 2.6264 2.7917 2.8951 2.9885 3.0094 3.1364 3.2040 3.5526 3.5584 3.7089 3.7213 3.8887 3.9308 3.9487 4.0358 4.0981 4.1162 4.1719 4.1721 4.2179 4.2518 4.3716 4.3798 4.4773 4.5772 4.6031 4.6155 4.7598 4.7641 4.9624 5.0151 5.1699 5.1897 5.5185 5.5233 5.6805 5.6814 8.0856 8.1747 8.2502 8.3354 8.4732 8.5010 8.5581 8.7017 8.7183 8.8338 9.1815 9.1980 11.6752 11.6762 k = 0.1875 0.1875-0.0000 ( 6112 PWs) bands (ev): -61.7750 -61.7750 -34.7251 -34.7251 -26.1142 -26.1142 -26.1136 -26.1136 -7.4151 -7.4147 -6.5664 -6.5529 -6.4544 -6.4526 -6.4075 -6.3941 0.4448 0.4599 0.5155 0.5291 1.1457 1.1507 1.7162 1.7185 1.9583 1.9636 2.0253 2.0262 2.4499 2.4577 2.5094 2.5340 2.6057 2.6311 2.8195 2.9135 3.0125 3.0257 3.1483 3.2109 3.5435 3.5476 3.6861 3.6975 3.8960 3.9320 3.9562 4.0480 4.1015 4.1256 4.1669 4.1798 4.2214 4.2447 4.3603 4.3679 4.4930 4.5820 4.6079 4.6289 4.7608 4.7662 4.9369 4.9875 5.2075 5.2241 5.5358 5.5401 5.6845 5.6856 8.0710 8.1600 8.2452 8.3234 8.4545 8.4783 8.5416 8.6722 8.6925 8.7995 9.1012 9.1186 11.6924 11.6940 k = 0.1750 0.1750-0.0000 ( 6112 PWs) bands (ev): -61.7750 -61.7750 -34.7251 -34.7251 -26.1141 -26.1141 -26.1136 -26.1136 -7.4310 -7.4305 -6.5586 -6.5467 -6.4460 -6.4443 -6.4042 -6.3927 0.4264 0.4404 0.4892 0.5020 1.1249 1.1292 1.7438 1.7459 1.9568 1.9617 2.0183 2.0193 2.4730 2.4782 2.5265 2.5507 2.6112 2.6356 2.8466 2.9304 3.0365 3.0424 3.1594 3.2166 3.5340 3.5365 3.6630 3.6734 3.9031 3.9332 3.9649 4.0609 4.1053 4.1345 4.1622 4.1872 4.2261 4.2379 4.3486 4.3563 4.5090 4.5860 4.6133 4.6424 4.7622 4.7681 4.9126 4.9606 5.2461 5.2599 5.5519 5.5557 5.6879 5.6894 8.0576 8.1446 8.2402 8.3120 8.4347 8.4548 8.5264 8.6444 8.6681 8.7655 9.0220 9.0399 11.7102 11.7126 k = 0.1625 0.1625-0.0000 ( 6100 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1140 -26.1140 -26.1135 -26.1135 -7.4459 -7.4456 -6.5511 -6.5409 -6.4378 -6.4362 -6.4010 -6.3913 0.4089 0.4218 0.4640 0.4760 1.1053 1.1088 1.7701 1.7720 1.9553 1.9597 2.0117 2.0128 2.4953 2.4982 2.5431 2.5665 2.6167 2.6399 2.8729 2.9463 3.0595 3.0603 3.1699 3.2213 3.5239 3.5252 3.6400 3.6492 3.9098 3.9344 3.9748 4.0743 4.1095 4.1407 4.1606 4.1942 4.2316 4.2317 4.3369 4.3450 4.5251 4.5895 4.6192 4.6556 4.7639 4.7697 4.8899 4.9347 5.2855 5.2967 5.5667 5.5701 5.6909 5.6926 8.0457 8.1289 8.2351 8.3011 8.4140 8.4312 8.5125 8.6185 8.6451 8.7317 8.9446 8.9623 11.7285 11.7307 k = 0.1500 0.1500-0.0000 ( 6096 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1139 -26.1139 -26.1135 -26.1135 -7.4600 -7.4598 -6.5440 -6.5355 -6.4300 -6.4284 -6.3980 -6.3900 0.3924 0.4041 0.4401 0.4512 1.0867 1.0896 1.7950 1.7968 1.9538 1.9578 2.0055 2.0067 2.5167 2.5175 2.5592 2.5814 2.6223 2.6440 2.8983 2.9613 3.0769 3.0834 3.1799 3.2250 3.5135 3.5137 3.6169 3.6250 3.9159 3.9357 3.9859 4.0877 4.1143 4.1408 4.1654 4.2007 4.2257 4.2376 4.3255 4.3340 4.5408 4.5927 4.6257 4.6683 4.7657 4.7707 4.8689 4.9100 5.3253 5.3341 5.5800 5.5829 5.6936 5.6954 8.0355 8.1135 8.2300 8.2903 8.3928 8.4078 8.4997 8.5944 8.6231 8.6982 8.8699 8.8863 11.7475 11.7479 k = 0.1375 0.1375-0.0000 ( 6104 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1138 -26.1138 -26.1135 -26.1135 -7.4732 -7.4730 -6.5375 -6.5305 -6.4226 -6.4211 -6.3951 -6.3888 0.3769 0.3876 0.4176 0.4279 1.0693 1.0716 1.8182 1.8198 1.9521 1.9557 1.9999 2.0011 2.5360 2.5369 2.5746 2.5951 2.6281 2.6478 2.9227 2.9756 3.0947 3.1057 3.1894 3.2279 3.5022 3.5027 3.5939 3.6010 3.9213 3.9369 3.9977 4.1007 4.1196 4.1375 4.1739 4.2064 4.2201 4.2437 4.3147 4.3233 4.5557 4.5956 4.6327 4.6804 4.7677 4.7711 4.8502 4.8869 5.3649 5.3718 5.5916 5.5941 5.6960 5.6979 8.0272 8.0989 8.2249 8.2794 8.3714 8.3850 8.4882 8.5720 8.6016 8.6644 8.7994 8.8125 11.7654 11.7671 k = 0.1250 0.1250-0.0000 ( 6126 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1138 -26.1138 -26.1135 -26.1135 -7.4854 -7.4852 -6.5315 -6.5259 -6.4156 -6.4143 -6.3925 -6.3876 0.3625 0.3721 0.3966 0.4060 1.0531 1.0549 1.8397 1.8412 1.9504 1.9536 1.9950 1.9961 2.5533 2.5557 2.5893 2.6076 2.6339 2.6514 2.9459 2.9893 3.1126 3.1268 3.1985 3.2302 3.4907 3.4916 3.5711 3.5773 3.9260 3.9382 4.0102 4.1124 4.1261 4.1337 4.1832 4.2110 4.2150 4.2497 4.3049 4.3129 4.5694 4.5983 4.6404 4.6917 4.7695 4.7704 4.8344 4.8657 5.4040 5.4092 5.6014 5.6034 5.6983 5.7002 8.0209 8.0855 8.2199 8.2683 8.3501 8.3628 8.4777 8.5511 8.5787 8.6301 8.7359 8.7419 11.7838 11.7873 k = 0.1125 0.1125-0.0000 ( 6118 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1137 -26.1137 -26.1134 -26.1134 -7.4965 -7.4964 -6.5260 -6.5217 -6.4092 -6.4079 -6.3900 -6.3865 0.3493 0.3579 0.3773 0.3858 1.0382 1.0396 1.8594 1.8607 1.9487 1.9515 1.9909 1.9919 2.5694 2.5727 2.6032 2.6188 2.6400 2.6548 2.9678 3.0024 3.1307 3.1468 3.2072 3.2321 3.4794 3.4804 3.5487 3.5541 3.9303 3.9395 4.0233 4.1215 4.1303 4.1346 4.1923 4.2102 4.2146 4.2557 4.2965 4.3029 4.5814 4.6007 4.6491 4.7022 4.7680 4.7708 4.8223 4.8468 5.4420 5.4460 5.6094 5.6110 5.7009 5.7025 8.0169 8.0737 8.2152 8.2571 8.3292 8.3416 8.4678 8.5314 8.5495 8.5978 8.6760 8.6826 11.8029 11.8080 k = 0.1000 0.1000-0.0000 ( 6116 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1136 -26.1136 -26.1134 -26.1134 -7.5066 -7.5065 -6.5211 -6.5180 -6.4032 -6.4021 -6.3877 -6.3854 0.3374 0.3449 0.3598 0.3674 1.0248 1.0257 1.8770 1.8781 1.9469 1.9492 1.9876 1.9884 2.5839 2.5878 2.6162 2.6289 2.6462 2.6579 2.9883 3.0149 3.1486 3.1655 3.2156 3.2338 3.4684 3.4692 3.5268 3.5314 3.9341 3.9407 4.0365 4.1276 4.1281 4.1444 4.2007 4.2063 4.2164 4.2614 4.2899 4.2931 4.5910 4.6027 4.6590 4.7118 4.7636 4.7710 4.8142 4.8310 5.4783 5.4811 5.6157 5.6168 5.7037 5.7051 8.0154 8.0641 8.2109 8.2459 8.3091 8.3213 8.4564 8.5073 8.5127 8.5730 8.6174 8.6412 11.8226 11.8290 k = 0.0875 0.0875-0.0000 ( 6118 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1135 -26.1135 -26.1134 -26.1134 -7.5155 -7.5155 -6.5169 -6.5147 -6.3979 -6.3969 -6.3857 -6.3843 0.3267 0.3333 0.3442 0.3508 1.0127 1.0134 1.8924 1.8933 1.9451 1.9470 1.9852 1.9858 2.5967 2.6006 2.6283 2.6380 2.6523 2.6608 3.0071 3.0266 3.1663 3.1829 3.2236 3.2355 3.4577 3.4582 3.5055 3.5096 3.9374 3.9420 4.0497 4.1257 4.1331 4.1537 4.2032 4.2080 4.2167 4.2667 4.2836 4.2854 4.5980 4.6043 4.6700 4.7202 4.7577 4.7692 4.8100 4.8194 5.5121 5.5140 5.6204 5.6210 5.7070 5.7080 8.0165 8.0569 8.2071 8.2352 8.2899 8.3023 8.4385 8.4559 8.4961 8.5551 8.5707 8.6093 11.8425 11.8498 k = 0.0750 0.0750-0.0000 ( 6110 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1135 -26.1135 -26.1134 -26.1134 -7.5234 -7.5233 -6.5132 -6.5118 -6.3931 -6.3923 -6.3840 -6.3833 0.3175 0.3231 0.3305 0.3362 1.0022 1.0026 1.9055 1.9063 1.9433 1.9449 1.9838 1.9842 2.6076 2.6111 2.6393 2.6464 2.6580 2.6634 3.0240 3.0374 3.1834 3.1990 3.2312 3.2373 3.4477 3.4477 3.4852 3.4888 3.9402 3.9432 4.0628 4.1248 4.1370 4.1610 4.2015 4.2143 4.2159 4.2716 4.2745 4.2830 4.6025 4.6054 4.6816 4.7273 4.7514 4.7647 4.8082 4.8125 5.5425 5.5439 5.6236 5.6238 5.7107 5.7115 8.0204 8.0525 8.2041 8.2252 8.2720 8.2846 8.4025 8.4079 8.4851 8.5389 8.5410 8.5836 11.8622 11.8701 k = 0.0625 0.0625-0.0000 ( 6098 PWs) bands (ev): -61.7750 -61.7750 -34.7249 -34.7249 -26.1134 -26.1134 -26.1133 -26.1133 -7.5301 -7.5300 -6.5102 -6.5093 -6.3891 -6.3883 -6.3825 -6.3823 0.3096 0.3143 0.3188 0.3236 0.9932 0.9934 1.9162 1.9168 1.9416 1.9428 1.9831 1.9835 2.6167 2.6192 2.6491 2.6542 2.6631 2.6660 3.0388 3.0472 3.1997 3.2136 3.2380 3.2394 3.4379 3.4385 3.4661 3.4694 3.9425 3.9443 4.0757 4.1247 4.1397 4.1648 4.2017 4.2151 4.2194 4.2654 4.2761 4.2824 4.6049 4.6060 4.6934 4.7330 4.7457 4.7584 4.8081 4.8096 5.5689 5.5698 5.6256 5.6257 5.7151 5.7155 8.0271 8.0510 8.2020 8.2164 8.2555 8.2683 8.3511 8.3672 8.4801 8.5195 8.5292 8.5622 11.8812 11.8891 k = 0.0500 0.0500-0.0000 ( 6090 PWs) bands (ev): -61.7750 -61.7750 -34.7249 -34.7249 -26.1134 -26.1134 -26.1133 -26.1133 -7.5355 -7.5355 -6.5078 -6.5073 -6.3857 -6.3851 -6.3814 -6.3813 0.3032 0.3069 0.3093 0.3131 0.9857 0.9859 1.9245 1.9249 1.9401 1.9410 1.9833 1.9835 2.6239 2.6254 2.6575 2.6611 2.6672 2.6683 3.0511 3.0558 3.2149 3.2266 3.2420 3.2439 3.4291 3.4302 3.4487 3.4517 3.9444 3.9453 4.0883 4.1254 4.1409 4.1642 4.2040 4.2154 4.2232 4.2567 4.2797 4.2829 4.6058 4.6061 4.7046 4.7371 4.7412 4.7517 4.8086 4.8090 5.5906 5.5911 5.6265 5.6268 5.7198 5.7201 8.0364 8.0526 8.2010 8.2091 8.2407 8.2538 8.3043 8.3240 8.4791 8.5077 8.5192 8.5442 11.8987 11.9062 k = 0.0375 0.0375-0.0000 ( 6084 PWs) bands (ev): -61.7750 -61.7750 -34.7249 -34.7249 -26.1133 -26.1133 -26.1133 -26.1133 -7.5398 -7.5398 -6.5059 -6.5057 -6.3830 -6.3825 -6.3806 -6.3803 0.2983 0.3011 0.3019 0.3048 0.9799 0.9800 1.9304 1.9307 1.9389 1.9395 1.9840 1.9841 2.6292 2.6299 2.6643 2.6667 2.6704 2.6705 3.0608 3.0629 3.2285 3.2376 3.2448 3.2485 3.4217 3.4231 3.4337 3.4362 3.9458 3.9462 4.1006 4.1269 4.1407 4.1599 4.2079 4.2172 4.2256 4.2483 4.2826 4.2839 4.6058 4.6059 4.7148 4.7379 4.7394 4.7458 4.8094 4.8095 5.6071 5.6074 5.6270 5.6273 5.7247 5.7248 8.0478 8.0570 8.2013 8.2038 8.2276 8.2409 8.2643 8.2833 8.4806 8.5004 8.5110 8.5288 11.9139 11.9203 k = 0.0250 0.0250-0.0000 ( 6076 PWs) bands (ev): -61.7750 -61.7750 -34.7249 -34.7249 -26.1133 -26.1133 -26.1132 -26.1132 -7.5429 -7.5429 -6.5046 -6.5046 -6.3810 -6.3807 -6.3800 -6.3797 0.2950 0.2967 0.2968 0.2987 0.9757 0.9757 1.9343 1.9345 1.9379 1.9384 1.9849 1.9850 2.6327 2.6330 2.6694 2.6709 2.6722 2.6726 3.0676 3.0683 3.2397 3.2460 3.2478 3.2516 3.4162 3.4175 3.4219 3.4238 3.9468 3.9469 4.1124 4.1291 4.1393 4.1529 4.2129 4.2201 4.2267 4.2402 4.2847 4.2851 4.6055 4.6055 4.7236 4.7360 4.7397 4.7416 4.8102 4.8102 5.6186 5.6187 5.6272 5.6275 5.7290 5.7290 8.0599 8.0636 8.2004 8.2027 8.2161 8.2299 8.2340 8.2485 8.4841 8.4965 8.5043 8.5159 11.9260 11.9308 k = 0.0125 0.0125-0.0000 ( 6043 PWs) bands (ev): -61.7749 -61.7749 -34.7248 -34.7248 -26.1132 -26.1132 -26.1132 -26.1132 -7.5448 -7.5448 -6.5039 -6.5039 -6.3798 -6.3797 -6.3795 -6.3794 0.2932 0.2938 0.2941 0.2947 0.9732 0.9732 1.9365 1.9366 1.9374 1.9376 1.9856 1.9857 2.6348 2.6349 2.6727 2.6734 2.6735 2.6739 3.0717 3.0717 3.2479 3.2505 3.2510 3.2529 3.4130 3.4138 3.4145 3.4156 3.9474 3.9474 4.1238 4.1317 4.1371 4.1443 4.2188 4.2230 4.2267 4.2326 4.2859 4.2860 4.6052 4.6052 4.7307 4.7354 4.7376 4.7393 4.8109 4.8109 5.6252 5.6253 5.6273 5.6275 5.7320 5.7320 8.0698 8.0704 8.1985 8.2007 8.2099 8.2180 8.2208 8.2237 8.4894 8.4953 8.4994 8.5052 11.9346 11.9371 k = 0.0000 0.0000 0.0000 ( 6043 PWs) bands (ev): -61.7749 -61.7749 -34.7248 -34.7248 -26.1132 -26.1132 -26.1132 -26.1132 -7.5454 -7.5454 -6.5036 -6.5036 -6.3794 -6.3794 -6.3794 -6.3794 0.2930 0.2930 0.2930 0.2930 0.9724 0.9724 1.9373 1.9373 1.9373 1.9373 1.9859 1.9859 2.6355 2.6355 2.6740 2.6740 2.6740 2.6740 3.0730 3.0730 3.2520 3.2520 3.2520 3.2520 3.4122 3.4122 3.4122 3.4122 3.9476 3.9476 4.1344 4.1344 4.1344 4.1344 4.2253 4.2253 4.2253 4.2253 4.2863 4.2863 4.6050 4.6050 4.7359 4.7359 4.7359 4.7359 4.8111 4.8111 5.6274 5.6274 5.6274 5.6274 5.7331 5.7331 8.0737 8.0737 8.1971 8.1971 8.2140 8.2140 8.2140 8.2140 8.4964 8.4964 8.4964 8.4964 11.9383 11.9383 k = 0.0000 0.0000 0.0000 ( 6043 PWs) bands (ev): -61.7749 -61.7749 -34.7248 -34.7248 -26.1132 -26.1132 -26.1132 -26.1132 -7.5454 -7.5454 -6.5036 -6.5036 -6.3794 -6.3794 -6.3794 -6.3794 0.2930 0.2930 0.2930 0.2930 0.9724 0.9724 1.9373 1.9373 1.9373 1.9373 1.9859 1.9859 2.6355 2.6355 2.6740 2.6740 2.6740 2.6740 3.0730 3.0730 3.2520 3.2520 3.2520 3.2520 3.4122 3.4122 3.4122 3.4122 3.9476 3.9476 4.1344 4.1344 4.1344 4.1344 4.2253 4.2253 4.2253 4.2253 4.2863 4.2863 4.6050 4.6050 4.7359 4.7359 4.7359 4.7359 4.8111 4.8111 5.6274 5.6274 5.6274 5.6274 5.7331 5.7331 8.0737 8.0737 8.1971 8.1971 8.2140 8.2140 8.2140 8.2140 8.4964 8.4964 8.4964 8.4964 11.9383 11.9383 k = 0.0102 0.0102 0.0102 ( 6043 PWs) bands (ev): -61.7749 -61.7749 -34.7248 -34.7248 -26.1132 -26.1132 -26.1132 -26.1132 -7.5448 -7.5448 -6.5039 -6.5039 -6.3797 -6.3796 -6.3796 -6.3795 0.2932 0.2939 0.2939 0.2947 0.9732 0.9732 1.9367 1.9367 1.9373 1.9376 1.9856 1.9856 2.6349 2.6349 2.6727 2.6735 2.6735 2.6736 3.0717 3.0717 3.2480 3.2508 3.2508 3.2526 3.4137 3.4139 3.4139 3.4152 3.9474 3.9474 4.1234 4.1344 4.1344 4.1446 4.2186 4.2248 4.2248 4.2328 4.2860 4.2860 4.6052 4.6052 4.7304 4.7366 4.7366 4.7393 4.8109 4.8109 5.6252 5.6252 5.6274 5.6275 5.7320 5.7320 8.0701 8.0701 8.1996 8.1996 8.2088 8.2211 8.2212 8.2212 8.4891 8.4974 8.4974 8.5054 11.9350 11.9368 k = 0.0204 0.0204 0.0204 ( 6079 PWs) bands (ev): -61.7750 -61.7750 -34.7249 -34.7249 -26.1133 -26.1133 -26.1133 -26.1133 -7.5429 -7.5429 -6.5046 -6.5046 -6.3806 -6.3804 -6.3804 -6.3801 0.2953 0.2967 0.2967 0.2984 0.9757 0.9757 1.9347 1.9347 1.9377 1.9382 1.9849 1.9849 2.6329 2.6329 2.6696 2.6715 2.6719 2.6719 3.0680 3.0680 3.2408 3.2472 3.2472 3.2497 3.4189 3.4189 3.4196 3.4222 3.9468 3.9468 4.1117 4.1343 4.1343 4.1533 4.2132 4.2230 4.2230 4.2407 4.2848 4.2848 4.6055 4.6055 4.7228 4.7388 4.7388 4.7404 4.8102 4.8102 5.6183 5.6183 5.6275 5.6278 5.7291 5.7291 8.0619 8.0619 8.2046 8.2046 8.2056 8.2302 8.2432 8.2432 8.4836 8.5005 8.5005 8.5162 11.9295 11.9323 k = 0.0306 0.0306 0.0306 ( 6088 PWs) bands (ev): -61.7750 -61.7750 -34.7249 -34.7249 -26.1133 -26.1133 -26.1133 -26.1133 -7.5398 -7.5398 -6.5058 -6.5058 -6.3820 -6.3816 -6.3816 -6.3813 0.2993 0.3014 0.3014 0.3039 0.9799 0.9799 1.9312 1.9312 1.9384 1.9391 1.9839 1.9839 2.6297 2.6297 2.6650 2.6676 2.6694 2.6694 3.0620 3.0620 3.2314 3.2415 3.2415 3.2439 3.4268 3.4268 3.4292 3.4327 3.9460 3.9460 4.0995 4.1342 4.1342 4.1596 4.2101 4.2203 4.2203 4.2490 4.2832 4.2832 4.6058 4.6058 4.7134 4.7397 4.7425 4.7425 4.8095 4.8095 5.6062 5.6062 5.6277 5.6281 5.7250 5.7250 8.0529 8.0529 8.2042 8.2110 8.2110 8.2411 8.2763 8.2763 8.4800 8.5060 8.5060 8.5289 11.9221 11.9253 k = 0.0408 0.0408 0.0408 ( 6088 PWs) bands (ev): -61.7750 -61.7750 -34.7249 -34.7249 -26.1133 -26.1133 -26.1133 -26.1133 -7.5355 -7.5355 -6.5075 -6.5075 -6.3839 -6.3834 -6.3834 -6.3829 0.3052 0.3080 0.3080 0.3114 0.9858 0.9858 1.9259 1.9259 1.9393 1.9403 1.9829 1.9829 2.6252 2.6252 2.6587 2.6621 2.6661 2.6661 3.0540 3.0540 3.2205 3.2338 3.2338 3.2361 3.4372 3.4372 3.4417 3.4457 3.9449 3.9449 4.0870 4.1339 4.1339 4.1623 4.2107 4.2166 4.2166 4.2575 4.2811 4.2811 4.6059 4.6059 4.7022 4.7371 4.7477 4.7477 4.8091 4.8091 5.5885 5.5885 5.6281 5.6285 5.7206 5.7206 8.0455 8.0455 8.2045 8.2192 8.2192 8.2538 8.3167 8.3167 8.4783 8.5145 8.5145 8.5434 11.9137 11.9163 k = 0.0510 0.0510 0.0510 ( 6100 PWs) bands (ev): -61.7750 -61.7750 -34.7249 -34.7249 -26.1134 -26.1134 -26.1134 -26.1134 -7.5300 -7.5300 -6.5096 -6.5096 -6.3862 -6.3856 -6.3856 -6.3850 0.3130 0.3163 0.3163 0.3207 0.9932 0.9932 1.9185 1.9185 1.9406 1.9418 1.9823 1.9823 2.6192 2.6192 2.6508 2.6548 2.6619 2.6619 3.0441 3.0441 3.2087 3.2244 3.2244 3.2269 3.4496 3.4496 3.4562 3.4607 3.9435 3.9435 4.0741 4.1335 4.1335 4.1611 4.2120 4.2120 4.2150 4.2660 4.2786 4.2786 4.6054 4.6054 4.6895 4.7329 4.7539 4.7539 4.8098 4.8098 5.5650 5.5650 5.6283 5.6286 5.7166 5.7166 8.0408 8.0408 8.2064 8.2291 8.2291 8.2678 8.3615 8.3615 8.4786 8.5268 8.5268 8.5598 11.9027 11.9057 k = 0.0612 0.0612 0.0612 ( 6106 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1134 -26.1134 -26.1134 -26.1134 -7.5233 -7.5233 -6.5122 -6.5122 -6.3890 -6.3883 -6.3883 -6.3876 0.3225 0.3264 0.3264 0.3317 1.0022 1.0022 1.9089 1.9089 1.9422 1.9437 1.9821 1.9821 2.6118 2.6118 2.6415 2.6460 2.6569 2.6569 3.0327 3.0327 3.1964 3.2135 3.2135 3.2169 3.4635 3.4635 3.4723 3.4772 3.9418 3.9418 4.0609 4.1327 4.1327 4.1571 4.2067 4.2067 4.2221 4.2746 4.2759 4.2759 4.6042 4.6042 4.6757 4.7274 4.7601 4.7601 4.8126 4.8126 5.5361 5.5361 5.6285 5.6286 5.7130 5.7130 8.0392 8.0392 8.2094 8.2405 8.2405 8.2829 8.4075 8.4075 8.4811 8.5452 8.5452 8.5780 11.8914 11.8941 k = 0.0714 0.0714 0.0714 ( 6103 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1135 -26.1135 -26.1134 -26.1134 -7.5155 -7.5155 -6.5152 -6.5152 -6.3923 -6.3915 -6.3915 -6.3906 0.3338 0.3382 0.3382 0.3446 1.0128 1.0128 1.8970 1.8970 1.9441 1.9459 1.9824 1.9824 2.6030 2.6030 2.6308 2.6356 2.6514 2.6514 3.0200 3.0200 3.1839 3.2011 3.2011 3.2063 3.4786 3.4786 3.4894 3.4949 3.9400 3.9400 4.0475 4.1316 4.1316 4.1517 4.2010 4.2010 4.2306 4.2731 4.2731 4.2832 4.6021 4.6021 4.6611 4.7210 4.7649 4.7649 4.8195 4.8195 5.5023 5.5023 5.6282 5.6284 5.7100 5.7100 8.0407 8.0407 8.2136 8.2532 8.2532 8.2985 8.4505 8.4505 8.4861 8.5730 8.5730 8.5980 11.8795 11.8816 k = 0.0816 0.0816 0.0816 ( 6127 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1135 -26.1135 -26.1135 -26.1135 -7.5065 -7.5065 -6.5187 -6.5187 -6.3960 -6.3951 -6.3951 -6.3941 0.3468 0.3516 0.3516 0.3591 1.0248 1.0248 1.8829 1.8829 1.9461 1.9483 1.9832 1.9832 2.5927 2.5927 2.6188 2.6236 2.6454 2.6454 3.0061 3.0061 3.1714 3.1874 3.1874 3.1955 3.4944 3.4944 3.5070 3.5134 3.9379 3.9379 4.0338 4.1297 4.1297 4.1454 4.1950 4.1950 4.2397 4.2703 4.2703 4.2916 4.5993 4.5993 4.6460 4.7137 4.7671 4.7671 4.8312 4.8312 5.4645 5.4645 5.6274 5.6280 5.7071 5.7071 8.0453 8.0453 8.2185 8.2667 8.2667 8.3140 8.4863 8.4863 8.4938 8.6137 8.6137 8.6197 11.8659 11.8684 k = 0.0918 0.0918 0.0918 ( 6121 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1136 -26.1136 -26.1136 -26.1136 -7.4963 -7.4963 -6.5225 -6.5225 -6.4001 -6.3991 -6.3991 -6.3980 0.3614 0.3666 0.3666 0.3753 1.0381 1.0381 1.8668 1.8668 1.9486 1.9511 1.9846 1.9846 2.5810 2.5810 2.6056 2.6103 2.6389 2.6389 2.9912 2.9912 3.1591 3.1725 3.1725 3.1846 3.5109 3.5109 3.5252 3.5327 3.9357 3.9357 4.0200 4.1270 4.1270 4.1388 4.1892 4.1892 4.2490 4.2678 4.2678 4.2999 4.5959 4.5959 4.6308 4.7061 4.7670 4.7670 4.8476 4.8476 5.4236 5.4236 5.6261 5.6272 5.7043 5.7043 8.0528 8.0528 8.2241 8.2807 8.2807 8.3289 8.5047 8.5152 8.5152 8.6432 8.6665 8.6665 11.8528 11.8544 k = 0.1020 0.1020 0.1020 ( 6127 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1136 -26.1136 -26.1136 -26.1136 -7.4851 -7.4851 -6.5268 -6.5268 -6.4046 -6.4035 -6.4035 -6.4023 0.3776 0.3830 0.3830 0.3929 1.0527 1.0527 1.8486 1.8486 1.9512 1.9541 1.9863 1.9863 2.5680 2.5680 2.5912 2.5958 2.6320 2.6320 2.9754 2.9754 3.1470 3.1566 3.1566 3.1736 3.5276 3.5276 3.5434 3.5526 3.9334 3.9334 4.0061 4.1233 4.1233 4.1322 4.1838 4.1838 4.2582 4.2654 4.2654 4.3080 4.5921 4.5921 4.6160 4.6985 4.7654 4.7654 4.8678 4.8678 5.3801 5.3801 5.6242 5.6259 5.7013 5.7013 8.0631 8.0631 8.2300 8.2950 8.2950 8.3426 8.5188 8.5403 8.5403 8.6682 8.7274 8.7274 11.8387 11.8395 k = 0.1122 0.1122 0.1122 ( 6109 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1137 -26.1137 -26.1136 -26.1136 -7.4728 -7.4728 -6.5314 -6.5314 -6.4095 -6.4082 -6.4082 -6.4070 0.3952 0.4009 0.4009 0.4120 1.0685 1.0685 1.8286 1.8286 1.9541 1.9575 1.9885 1.9885 2.5537 2.5537 2.5759 2.5800 2.6248 2.6248 2.9585 2.9585 3.1351 3.1398 3.1398 3.1626 3.5445 3.5445 3.5618 3.5729 3.9311 3.9311 3.9923 4.1184 4.1184 4.1257 4.1792 4.1792 4.2635 4.2635 4.2671 4.3157 4.5881 4.5881 4.6018 4.6911 4.7627 4.7627 4.8911 4.8911 5.3348 5.3348 5.6218 5.6241 5.6981 5.6981 8.0759 8.0759 8.2362 8.3094 8.3094 8.3549 8.5364 8.5645 8.5645 8.6947 8.7929 8.7929 11.8232 11.8237 k = 0.1224 0.1224 0.1224 ( 6109 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1137 -26.1137 -26.1137 -26.1137 -7.4594 -7.4594 -6.5363 -6.5363 -6.4147 -6.4134 -6.4134 -6.4121 0.4141 0.4199 0.4199 0.4325 1.0853 1.0853 1.8068 1.8068 1.9573 1.9611 1.9909 1.9909 2.5383 2.5383 2.5597 2.5633 2.6173 2.6173 2.9407 2.9407 3.1222 3.1222 3.1234 3.1515 3.5613 3.5613 3.5800 3.5934 3.9288 3.9288 3.9786 4.1122 4.1122 4.1194 4.1753 4.1753 4.2620 4.2620 4.2753 4.3229 4.5841 4.5841 4.5886 4.6841 4.7593 4.7593 4.9168 4.9168 5.2883 5.2883 5.6187 5.6217 5.6946 5.6946 8.0910 8.0910 8.2423 8.3236 8.3236 8.3655 8.5572 8.5892 8.5892 8.7225 8.8608 8.8608 11.8070 11.8070 k = 0.1327 0.1327 0.1327 ( 6106 PWs) bands (ev): -61.7750 -61.7750 -34.7250 -34.7250 -26.1138 -26.1138 -26.1138 -26.1138 -7.4451 -7.4451 -6.5416 -6.5416 -6.4203 -6.4188 -6.4188 -6.4174 0.4342 0.4401 0.4401 0.4541 1.1031 1.1031 1.7834 1.7834 1.9606 1.9650 1.9936 1.9936 2.5220 2.5220 2.5428 2.5458 2.6095 2.6095 2.9218 2.9218 3.1042 3.1042 3.1118 3.1404 3.5778 3.5778 3.5979 3.6141 3.9266 3.9266 3.9651 4.1052 4.1052 4.1135 4.1722 4.1722 4.2610 4.2610 4.2828 4.3296 4.5769 4.5804 4.5804 4.6779 4.7554 4.7554 4.9445 4.9445 5.2410 5.2410 5.6150 5.6188 5.6906 5.6906 8.1082 8.1082 8.2483 8.3377 8.3377 8.3745 8.5808 8.6151 8.6151 8.7515 8.9296 8.9296 11.7897 11.7900 k = 0.1429 0.1429 0.1429 ( 6115 PWs) bands (ev): -61.7750 -61.7750 -34.7251 -34.7251 -26.1139 -26.1139 -26.1139 -26.1139 -7.4299 -7.4299 -6.5471 -6.5471 -6.4261 -6.4245 -6.4245 -6.4231 0.4555 0.4613 0.4613 0.4769 1.1216 1.1216 1.7585 1.7585 1.9641 1.9690 1.9964 1.9964 2.5049 2.5049 2.5253 2.5275 2.6014 2.6014 2.9018 2.9018 3.0859 3.0859 3.1003 3.1292 3.5938 3.5938 3.6153 3.6348 3.9245 3.9245 3.9521 4.0974 4.0974 4.1080 4.1696 4.1696 4.2604 4.2604 4.2893 4.3357 4.5668 4.5769 4.5769 4.6726 4.7510 4.7510 4.9741 4.9741 5.1935 5.1935 5.6108 5.6153 5.6862 5.6862 8.1270 8.1270 8.2541 8.3518 8.3518 8.3821 8.6069 8.6424 8.6424 8.7815 8.9982 8.9982 11.7723 11.7725 k = 0.1531 0.1531 0.1531 ( 6124 PWs) bands (ev): -61.7750 -61.7750 -34.7251 -34.7251 -26.1140 -26.1140 -26.1139 -26.1139 -7.4137 -7.4137 -6.5529 -6.5529 -6.4322 -6.4305 -6.4305 -6.4291 0.4777 0.4834 0.4834 0.5006 1.1406 1.1406 1.7323 1.7323 1.9678 1.9734 1.9994 1.9994 2.4873 2.4873 2.5074 2.5089 2.5931 2.5931 2.8806 2.8806 3.0676 3.0676 3.0889 3.1179 3.6093 3.6093 3.6322 3.6552 3.9227 3.9227 3.9396 4.0893 4.0893 4.1030 4.1675 4.1675 4.2603 4.2603 4.2945 4.3411 4.5588 4.5739 4.5739 4.6683 4.7461 4.7461 5.0051 5.0051 5.1463 5.1463 5.6062 5.6114 5.6816 5.6816 8.1472 8.1472 8.2595 8.3662 8.3662 8.3885 8.6349 8.6711 8.6711 8.8123 9.0657 9.0657 11.7514 11.7559 k = 0.1633 0.1633 0.1633 ( 6112 PWs) bands (ev): -61.7750 -61.7750 -34.7251 -34.7251 -26.1140 -26.1140 -26.1140 -26.1140 -7.3967 -7.3967 -6.5590 -6.5590 -6.4385 -6.4368 -6.4368 -6.4353 0.5007 0.5062 0.5062 0.5251 1.1600 1.1600 1.7048 1.7048 1.9716 1.9779 2.0026 2.0026 2.4694 2.4694 2.4893 2.4900 2.5846 2.5846 2.8582 2.8582 3.0496 3.0496 3.0776 3.1066 3.6241 3.6241 3.6486 3.6754 3.9212 3.9212 3.9280 4.0812 4.0812 4.0988 4.1658 4.1658 4.2608 4.2608 4.2984 4.3458 4.5530 4.5715 4.5715 4.6652 4.7407 4.7407 5.0372 5.0372 5.0999 5.0999 5.6012 5.6072 5.6766 5.6766 8.1682 8.1682 8.2644 8.3813 8.3813 8.3938 8.6644 8.7012 8.7012 8.8438 9.1314 9.1314 11.7290 11.7407 k = 0.1735 0.1735 0.1735 ( 6118 PWs) bands (ev): -61.7750 -61.7750 -34.7251 -34.7251 -26.1141 -26.1141 -26.1141 -26.1141 -7.3790 -7.3790 -6.5652 -6.5652 -6.4451 -6.4432 -6.4432 -6.4417 0.5245 0.5295 0.5295 0.5502 1.1795 1.1795 1.6763 1.6763 1.9756 1.9826 2.0059 2.0059 2.4514 2.4514 2.4710 2.4711 2.5760 2.5760 2.8347 2.8347 3.0318 3.0318 3.0663 3.0950 3.6380 3.6380 3.6643 3.6950 3.9175 3.9199 3.9199 4.0734 4.0734 4.0954 4.1641 4.1641 4.2617 4.2617 4.3007 4.3497 4.5496 4.5695 4.5695 4.6633 4.7347 4.7347 5.0500 5.0500 5.0749 5.0749 5.5960 5.6026 5.6715 5.6715 8.1893 8.1893 8.2688 8.3975 8.3975 8.3983 8.6951 8.7323 8.7323 8.8758 9.1947 9.1947 11.7039 11.7233 k = 0.1837 0.1837 0.1837 ( 6118 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1142 -26.1142 -26.1142 -26.1142 -7.3604 -7.3604 -6.5717 -6.5717 -6.4518 -6.4498 -6.4498 -6.4484 0.5487 0.5533 0.5533 0.5759 1.1989 1.1989 1.6470 1.6470 1.9796 1.9875 2.0091 2.0091 2.4337 2.4337 2.4523 2.4531 2.5673 2.5673 2.8103 2.8103 3.0146 3.0146 3.0548 3.0833 3.6510 3.6510 3.6792 3.7137 3.9083 3.9190 3.9190 4.0660 4.0660 4.0929 4.1625 4.1625 4.2631 4.2631 4.3015 4.3528 4.5485 4.5680 4.5680 4.6627 4.7281 4.7281 5.0073 5.0073 5.1077 5.1077 5.5907 5.5980 5.6664 5.6664 8.2100 8.2100 8.2727 8.4020 8.4154 8.4154 8.7267 8.7644 8.7644 8.9082 9.2551 9.2551 11.6758 11.6916 k = 0.1939 0.1939 0.1939 ( 6103 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1142 -26.1142 -26.1142 -26.1142 -7.3413 -7.3413 -6.5783 -6.5783 -6.4586 -6.4565 -6.4565 -6.4551 0.5734 0.5772 0.5772 0.6019 1.2179 1.2179 1.6171 1.6171 1.9836 1.9924 2.0123 2.0123 2.4164 2.4164 2.4339 2.4355 2.5585 2.5585 2.7851 2.7851 2.9980 2.9980 3.0433 3.0714 3.6630 3.6630 3.6934 3.7313 3.9009 3.9185 3.9185 4.0594 4.0594 4.0913 4.1610 4.1610 4.2648 4.2648 4.3008 4.3551 4.5496 4.5667 4.5667 4.6631 4.7208 4.7208 4.9642 4.9642 5.1434 5.1434 5.5856 5.5934 5.6613 5.6613 8.2294 8.2294 8.2760 8.4049 8.4357 8.4357 8.7588 8.7972 8.7972 8.9407 9.3121 9.3121 11.6445 11.6565 k = 0.2041 0.2041 0.2041 ( 6106 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1143 -26.1143 -26.1143 -26.1143 -7.3215 -7.3215 -6.5850 -6.5850 -6.4656 -6.4634 -6.4634 -6.4621 0.5982 0.6011 0.6011 0.6281 1.2359 1.2359 1.5868 1.5868 1.9876 1.9975 2.0155 2.0155 2.3999 2.3999 2.4161 2.4183 2.5497 2.5497 2.7595 2.7595 2.9820 2.9820 3.0317 3.0592 3.6740 3.6740 3.7069 3.7473 3.8956 3.9183 3.9183 4.0535 4.0535 4.0906 4.1595 4.1595 4.2668 4.2668 4.2987 4.3565 4.5525 4.5654 4.5654 4.6645 4.7126 4.7126 4.9230 4.9230 5.1801 5.1801 5.5809 5.5891 5.6566 5.6566 8.2470 8.2470 8.2787 8.4072 8.4588 8.4588 8.7914 8.8305 8.8305 8.9733 9.3656 9.3656 11.6094 11.6176 k = 0.2143 0.2143 0.2143 ( 6097 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1144 -26.1144 -26.1144 -26.1144 -7.3011 -7.3011 -6.5918 -6.5918 -6.4727 -6.4703 -6.4703 -6.4691 0.6231 0.6249 0.6249 0.6542 1.2526 1.2526 1.5567 1.5567 1.9916 2.0026 2.0185 2.0185 2.3842 2.3842 2.3992 2.4019 2.5408 2.5408 2.7337 2.7337 2.9665 2.9665 3.0200 3.0469 3.6841 3.6841 3.7196 3.7611 3.8930 3.9184 3.9184 4.0485 4.0485 4.0908 4.1581 4.1581 4.2690 4.2690 4.2953 4.3572 4.5570 4.5639 4.5639 4.6666 4.7034 4.7034 4.8840 4.8840 5.2175 5.2175 5.5767 5.5853 5.6524 5.6524 8.2624 8.2624 8.2809 8.4089 8.4849 8.4849 8.8242 8.8641 8.8641 9.0058 9.4154 9.4154 11.5704 11.5747 k = 0.2245 0.2245 0.2245 ( 6091 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1145 -26.1145 -26.1145 -26.1145 -7.2803 -7.2803 -6.5986 -6.5986 -6.4798 -6.4773 -6.4773 -6.4761 0.6478 0.6483 0.6483 0.6800 1.2673 1.2673 1.5271 1.5271 1.9956 2.0077 2.0214 2.0214 2.3698 2.3698 2.3834 2.3864 2.5320 2.5320 2.7083 2.7083 2.9516 2.9516 3.0081 3.0343 3.6931 3.6931 3.7317 3.7723 3.8937 3.9188 3.9188 4.0443 4.0443 4.0920 4.1567 4.1567 4.2713 4.2713 4.2910 4.3572 4.5616 4.5616 4.5626 4.6693 4.6933 4.6933 4.8480 4.8480 5.2555 5.2555 5.5735 5.5823 5.6490 5.6490 8.2753 8.2753 8.2825 8.4100 8.5139 8.5139 8.8570 8.8977 8.8977 9.0380 9.4615 9.4615 11.5273 11.5279 k = 0.2347 0.2347 0.2347 ( 6106 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1146 -26.1146 -26.1146 -26.1146 -7.2591 -7.2591 -6.6056 -6.6056 -6.4869 -6.4843 -6.4843 -6.4832 0.6712 0.6712 0.6722 0.7055 1.2791 1.2791 1.4988 1.4988 1.9994 2.0128 2.0240 2.0240 2.3569 2.3569 2.3688 2.3721 2.5232 2.5232 2.6836 2.6836 2.9371 2.9371 2.9960 3.0216 3.7012 3.7012 3.7432 3.7805 3.8976 3.9193 3.9193 4.0410 4.0410 4.0940 4.1553 4.1553 4.2736 4.2736 4.2857 4.3565 4.5577 4.5577 4.5688 4.6722 4.6823 4.6823 4.8153 4.8153 5.2939 5.2939 5.5713 5.5803 5.6465 5.6465 8.2836 8.2860 8.2860 8.4104 8.5456 8.5456 8.8896 8.9312 8.9312 9.0698 9.5041 9.5041 11.4770 11.4798 k = 0.2449 0.2449 0.2449 ( 6112 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1147 -26.1147 -26.1147 -26.1147 -7.2376 -7.2376 -6.6125 -6.6125 -6.4940 -6.4914 -6.4914 -6.4903 0.6933 0.6933 0.6960 0.7303 1.2870 1.2870 1.4727 1.4727 2.0031 2.0178 2.0265 2.0265 2.3455 2.3455 2.3556 2.3590 2.5146 2.5146 2.6601 2.6601 2.9232 2.9232 2.9838 3.0087 3.7085 3.7085 3.7543 3.7861 3.9047 3.9201 3.9201 4.0384 4.0384 4.0966 4.1539 4.1539 4.2758 4.2758 4.2798 4.3553 4.5515 4.5515 4.5752 4.6707 4.6707 4.6751 4.7865 4.7865 5.3327 5.3327 5.5705 5.5796 5.6453 5.6453 8.2842 8.2946 8.2946 8.4103 8.5794 8.5794 8.9220 8.9643 8.9643 9.1009 9.5434 9.5434 11.4220 11.4281 k = 0.2551 0.2551 0.2551 ( 6112 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1148 -26.1148 -26.1148 -26.1148 -7.2159 -7.2159 -6.6194 -6.6194 -6.5011 -6.4983 -6.4983 -6.4974 0.7144 0.7144 0.7192 0.7543 1.2893 1.2893 1.4503 1.4503 2.0067 2.0228 2.0288 2.0288 2.3360 2.3360 2.3441 2.3474 2.5060 2.5060 2.6383 2.6383 2.9096 2.9096 2.9715 2.9956 3.7152 3.7152 3.7650 3.7897 3.9143 3.9210 3.9210 4.0366 4.0366 4.1000 4.1526 4.1526 4.2734 4.2779 4.2779 4.3535 4.5422 4.5422 4.5815 4.6592 4.6592 4.6776 4.7617 4.7617 5.3716 5.3716 5.5715 5.5805 5.6456 5.6456 8.2844 8.3015 8.3015 8.4097 8.6148 8.6148 8.9538 8.9968 8.9968 9.1313 9.5799 9.5799 11.3631 11.3721 k = 0.2653 0.2653 0.2653 ( 6094 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1149 -26.1149 -26.1148 -26.1148 -7.1939 -7.1939 -6.6263 -6.6263 -6.5081 -6.5052 -6.5052 -6.5045 0.7344 0.7344 0.7416 0.7773 1.2847 1.2847 1.4329 1.4329 2.0103 2.0276 2.0311 2.0311 2.3283 2.3283 2.3344 2.3374 2.4977 2.4977 2.6186 2.6186 2.8965 2.8965 2.9592 2.9825 3.7213 3.7213 3.7756 3.7921 3.9221 3.9221 3.9257 4.0354 4.0354 4.1039 4.1513 4.1513 4.2666 4.2798 4.2798 4.3512 4.5291 4.5291 4.5871 4.6485 4.6485 4.6795 4.7407 4.7407 5.4106 5.4106 5.5745 5.5832 5.6477 5.6477 8.2843 8.3071 8.3071 8.4087 8.6511 8.6511 8.9850 9.0285 9.0285 9.1605 9.6140 9.6140 11.3006 11.3120 k = 0.2755 0.2755 0.2755 ( 6094 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1150 -26.1150 -26.1149 -26.1149 -7.1719 -7.1719 -6.6331 -6.6331 -6.5150 -6.5121 -6.5121 -6.5114 0.7532 0.7532 0.7629 0.7991 1.2727 1.2727 1.4207 1.4207 2.0138 2.0324 2.0332 2.0332 2.3226 2.3226 2.3264 2.3291 2.4895 2.4895 2.6013 2.6013 2.8836 2.8836 2.9467 2.9693 3.7268 3.7268 3.7860 3.7940 3.9233 3.9233 3.9380 4.0347 4.0347 4.1082 4.1500 4.1500 4.2595 4.2813 4.2813 4.3485 4.5124 4.5124 4.5918 4.6389 4.6389 4.6805 4.7228 4.7228 5.4494 5.4494 5.5796 5.5881 5.6519 5.6519 8.2839 8.3114 8.3114 8.4073 8.6876 8.6876 9.0152 9.0590 9.0590 9.1885 9.6463 9.6463 11.2349 11.2484 k = 0.2857 0.2857 0.2857 ( 6100 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1151 -26.1151 -26.1150 -26.1150 -7.1500 -7.1500 -6.6398 -6.6398 -6.5218 -6.5188 -6.5188 -6.5183 0.7705 0.7705 0.7831 0.8196 1.2543 1.2543 1.4125 1.4125 2.0174 2.0355 2.0355 2.0371 2.3188 2.3188 2.3203 2.3226 2.4816 2.4816 2.5867 2.5867 2.8711 2.8711 2.9342 2.9559 3.7320 3.7320 3.7958 3.7964 3.9247 3.9247 3.9506 4.0344 4.0344 4.1127 4.1487 4.1487 4.2521 4.2824 4.2824 4.3454 4.4927 4.4927 4.5952 4.6302 4.6302 4.6801 4.7074 4.7074 5.4878 5.4878 5.5872 5.5953 5.6584 5.6584 8.2834 8.3149 8.3149 8.4055 8.7240 8.7240 9.0442 9.0880 9.0880 9.2149 9.6775 9.6775 11.1663 11.1816 k = 0.2959 0.2959 0.2959 ( 6100 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1152 -26.1152 -26.1151 -26.1151 -7.1281 -7.1281 -6.6465 -6.6465 -6.5285 -6.5254 -6.5254 -6.5250 0.7863 0.7863 0.8021 0.8386 1.2318 1.2318 1.4064 1.4064 2.0211 2.0380 2.0380 2.0417 2.3160 2.3169 2.3169 2.3178 2.4740 2.4740 2.5752 2.5752 2.8590 2.8590 2.9217 2.9426 3.7369 3.7369 3.7980 3.8069 3.9262 3.9262 3.9634 4.0343 4.0343 4.1174 4.1474 4.1474 4.2445 4.2830 4.2830 4.3420 4.4714 4.4714 4.5972 4.6218 4.6218 4.6783 4.6939 4.6939 5.5257 5.5257 5.5973 5.6051 5.6674 5.6674 8.2828 8.3178 8.3178 8.4034 8.7595 8.7595 9.0717 9.1153 9.1153 9.2394 9.7080 9.7080 11.0956 11.1123 k = 0.3061 0.3061 0.3061 ( 6106 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1153 -26.1153 -26.1152 -26.1152 -7.1064 -7.1064 -6.6530 -6.6530 -6.5349 -6.5318 -6.5318 -6.5316 0.8005 0.8005 0.8196 0.8561 1.2070 1.2070 1.4005 1.4005 2.0250 2.0408 2.0408 2.0464 2.3134 2.3148 2.3166 2.3166 2.4668 2.4668 2.5667 2.5667 2.8472 2.8472 2.9092 2.9294 3.7415 3.7415 3.8007 3.8176 3.9278 3.9278 3.9758 4.0344 4.0344 4.1221 4.1459 4.1459 4.2367 4.2829 4.2829 4.3383 4.4497 4.4497 4.5974 4.6131 4.6131 4.6749 4.6817 4.6817 5.5628 5.5628 5.6101 5.6174 5.6791 5.6791 8.2823 8.3201 8.3201 8.4012 8.7938 8.7938 9.0975 9.1405 9.1405 9.2617 9.7385 9.7385 11.0234 11.0413 k = 0.3163 0.3163 0.3163 ( 6097 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1153 -26.1153 -26.1153 -26.1153 -7.0850 -7.0850 -6.6593 -6.6593 -6.5412 -6.5380 -6.5380 -6.5379 0.8129 0.8129 0.8358 0.8718 1.1812 1.1812 1.3936 1.3936 2.0293 2.0441 2.0441 2.0511 2.3125 2.3134 2.3178 2.3178 2.4599 2.4599 2.5614 2.5614 2.8357 2.8357 2.8968 2.9162 3.7460 3.7460 3.8041 3.8287 3.9297 3.9297 3.9880 4.0346 4.0346 4.1268 4.1444 4.1444 4.2289 4.2822 4.2822 4.3344 4.4285 4.4285 4.5959 4.6037 4.6037 4.6696 4.6704 4.6704 5.5989 5.5989 5.6255 5.6323 5.6936 5.6936 8.2819 8.3222 8.3222 8.3989 8.8265 8.8265 9.1211 9.1632 9.1632 9.2813 9.7695 9.7695 10.9506 10.9695 k = 0.3265 0.3265 0.3265 ( 6088 PWs) bands (ev): -61.7749 -61.7749 -34.7254 -34.7254 -26.1154 -26.1154 -26.1153 -26.1153 -7.0639 -7.0639 -6.6655 -6.6655 -6.5473 -6.5441 -6.5441 -6.5441 0.8237 0.8237 0.8505 0.8859 1.1553 1.1553 1.3851 1.3851 2.0339 2.0479 2.0479 2.0560 2.3130 2.3135 2.3205 2.3205 2.4535 2.4535 2.5592 2.5592 2.8246 2.8246 2.8846 2.9032 3.7502 3.7502 3.8083 3.8401 3.9318 3.9318 3.9997 4.0348 4.0348 4.1313 4.1428 4.1428 4.2212 4.2806 4.2806 4.3302 4.4087 4.4087 4.5926 4.5934 4.5934 4.6596 4.6596 4.6626 5.6337 5.6337 5.6435 5.6497 5.7112 5.7112 8.2819 8.3240 8.3240 8.3967 8.8571 8.8571 9.1421 9.1830 9.1830 9.2979 9.8013 9.8013 10.8782 10.8978 k = 0.3367 0.3367 0.3367 ( 6085 PWs) bands (ev): -61.7749 -61.7749 -34.7255 -34.7255 -26.1155 -26.1155 -26.1154 -26.1154 -7.0433 -7.0433 -6.6716 -6.6716 -6.5531 -6.5500 -6.5499 -6.5499 0.8327 0.8327 0.8637 0.8982 1.1299 1.1299 1.3748 1.3748 2.0391 2.0523 2.0523 2.0611 2.3149 2.3149 2.3242 2.3242 2.4476 2.4476 2.5599 2.5599 2.8139 2.8139 2.8725 2.8903 3.7542 3.7542 3.8134 3.8518 3.9342 3.9342 4.0108 4.0348 4.0348 4.1354 4.1407 4.1407 4.2135 4.2781 4.2781 4.3258 4.3910 4.3910 4.5823 4.5823 4.5875 4.6487 4.6487 4.6537 5.6638 5.6668 5.6668 5.6695 5.7318 5.7318 8.2822 8.3259 8.3259 8.3945 8.8855 8.8855 9.1602 9.1995 9.1995 9.3109 9.8342 9.8342 10.8070 10.8272 k = 0.3469 0.3469 0.3469 ( 6088 PWs) bands (ev): -61.7749 -61.7749 -34.7255 -34.7255 -26.1156 -26.1156 -26.1155 -26.1155 -7.0233 -7.0233 -6.6774 -6.6774 -6.5587 -6.5557 -6.5555 -6.5555 0.8400 0.8400 0.8754 0.9088 1.1054 1.1054 1.3628 1.3628 2.0448 2.0573 2.0573 2.0665 2.3175 2.3178 2.3288 2.3288 2.4420 2.4420 2.5634 2.5634 2.8037 2.8037 2.8607 2.8777 3.7579 3.7579 3.8194 3.8639 3.9367 3.9367 4.0212 4.0348 4.0348 4.1383 4.1383 4.1388 4.2061 4.2744 4.2744 4.3213 4.3759 4.3759 4.5705 4.5705 4.5808 4.6376 4.6376 4.6431 5.6862 5.6914 5.6982 5.6982 5.7551 5.7551 8.2831 8.3278 8.3278 8.3926 8.9114 8.9114 9.1748 9.2124 9.2124 9.3199 9.8685 9.8685 10.7381 10.7589 k = 0.3571 0.3571 0.3571 ( 6094 PWs) bands (ev): -61.7749 -61.7749 -34.7255 -34.7255 -26.1156 -26.1156 -26.1156 -26.1156 -7.0039 -7.0039 -6.6830 -6.6830 -6.5639 -6.5612 -6.5609 -6.5609 0.8457 0.8457 0.8857 0.9177 1.0821 1.0821 1.3492 1.3492 2.0510 2.0629 2.0629 2.0720 2.3211 2.3217 2.3341 2.3341 2.4369 2.4369 2.5692 2.5692 2.7940 2.7940 2.8491 2.8653 3.7613 3.7613 3.8262 3.8764 3.9396 3.9396 4.0310 4.0345 4.0345 4.1354 4.1354 4.1414 4.1994 4.2697 4.2697 4.3166 4.3637 4.3637 4.5582 4.5582 4.5726 4.6259 4.6259 4.6309 5.7105 5.7151 5.7279 5.7279 5.7807 5.7807 8.2846 8.3299 8.3299 8.3910 8.9348 8.9348 9.1856 9.2212 9.2212 9.3245 9.9041 9.9041 10.6724 10.6938 k = 0.3673 0.3673 0.3673 ( 6097 PWs) bands (ev): -61.7749 -61.7749 -34.7255 -34.7255 -26.1157 -26.1157 -26.1157 -26.1157 -6.9852 -6.9852 -6.6884 -6.6884 -6.5689 -6.5663 -6.5660 -6.5660 0.8498 0.8498 0.8947 0.9251 1.0603 1.0603 1.3343 1.3343 2.0577 2.0689 2.0689 2.0779 2.3255 2.3263 2.3399 2.3399 2.4323 2.4323 2.5769 2.5769 2.7849 2.7849 2.8380 2.8533 3.7643 3.7643 3.8339 3.8892 3.9427 3.9427 4.0340 4.0340 4.0401 4.1320 4.1320 4.1425 4.1938 4.2643 4.2643 4.3118 4.3544 4.3544 4.5456 4.5456 4.5631 4.6136 4.6136 4.6174 5.7362 5.7403 5.7565 5.7565 5.8076 5.8076 8.2868 8.3324 8.3324 8.3898 8.9556 8.9556 9.1922 9.2256 9.2256 9.3243 9.9409 9.9409 10.6108 10.6328 k = 0.3776 0.3776 0.3776 ( 6085 PWs) bands (ev): -61.7749 -61.7749 -34.7255 -34.7255 -26.1157 -26.1157 -26.1157 -26.1157 -6.9673 -6.9673 -6.6936 -6.6936 -6.5736 -6.5712 -6.5708 -6.5708 0.8525 0.8525 0.9024 0.9311 1.0401 1.0401 1.3186 1.3186 2.0648 2.0754 2.0754 2.0839 2.3305 2.3314 2.3460 2.3460 2.4282 2.4282 2.5861 2.5861 2.7766 2.7766 2.8273 2.8418 3.7670 3.7670 3.8425 3.9024 3.9463 3.9463 4.0333 4.0333 4.0486 4.1281 4.1281 4.1417 4.1900 4.2587 4.2587 4.3070 4.3477 4.3477 4.5329 4.5329 4.5526 4.6007 4.6007 4.6027 5.7628 5.7665 5.7841 5.7841 5.8351 5.8351 8.2899 8.3352 8.3352 8.3890 8.9740 8.9740 9.1943 9.2255 9.2255 9.3190 9.9787 9.9787 10.5544 10.5769 k = 0.3878 0.3878 0.3878 ( 6079 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1158 -26.1158 -26.1158 -26.1158 -6.9503 -6.9503 -6.6985 -6.6985 -6.5780 -6.5757 -6.5753 -6.5753 0.8537 0.8537 0.9089 0.9357 1.0217 1.0217 1.3022 1.3022 2.0722 2.0821 2.0821 2.0901 2.3358 2.3369 2.3520 2.3520 2.4248 2.4248 2.5962 2.5962 2.7691 2.7691 2.8172 2.8307 3.7691 3.7691 3.8518 3.9158 3.9501 3.9501 4.0323 4.0323 4.0563 4.1237 4.1237 4.1385 4.1884 4.2534 4.2534 4.3020 4.3432 4.3432 4.5204 4.5204 4.5414 4.5871 4.5871 4.5871 5.7900 5.7933 5.8110 5.8110 5.8622 5.8622 8.2940 8.3385 8.3385 8.3888 8.9900 8.9900 9.1918 9.2207 9.2207 9.3086 10.0171 10.0171 10.5036 10.5266 k = 0.3980 0.3980 0.3980 ( 6076 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1158 -26.1158 -26.1158 -26.1158 -6.9343 -6.9343 -6.7032 -6.7032 -6.5820 -6.5799 -6.5796 -6.5796 0.8538 0.8538 0.9145 0.9391 1.0053 1.0053 1.2857 1.2857 2.0798 2.0890 2.0890 2.0963 2.3414 2.3425 2.3579 2.3579 2.4221 2.4221 2.6066 2.6066 2.7628 2.7628 2.8076 2.8202 3.7708 3.7708 3.8620 3.9293 3.9542 3.9542 4.0311 4.0311 4.0632 4.1189 4.1189 4.1330 4.1888 4.2487 4.2487 4.2970 4.3404 4.3404 4.5082 4.5082 4.5297 4.5709 4.5730 4.5730 5.8173 5.8201 5.8371 5.8371 5.8884 5.8884 8.2991 8.3424 8.3424 8.3892 9.0037 9.0037 9.1849 9.2115 9.2115 9.2933 10.0558 10.0558 10.4591 10.4823 k = 0.4082 0.4082 0.4082 ( 6076 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1159 -26.1159 -26.1159 -26.1159 -6.9194 -6.9194 -6.7077 -6.7077 -6.5856 -6.5837 -6.5834 -6.5834 0.8527 0.8527 0.9191 0.9416 0.9909 0.9909 1.2695 1.2695 2.0875 2.0958 2.0958 2.1024 2.3470 2.3482 2.3632 2.3632 2.4201 2.4201 2.6166 2.6166 2.7576 2.7576 2.7987 2.8103 3.7719 3.7719 3.8729 3.9427 3.9585 3.9585 4.0297 4.0297 4.0694 4.1139 4.1139 4.1259 4.1907 4.2449 4.2449 4.2919 4.3390 4.3390 4.4965 4.4965 4.5178 4.5544 4.5586 4.5586 5.8441 5.8465 5.8622 5.8622 5.9134 5.9134 8.3052 8.3467 8.3467 8.3900 9.0154 9.0154 9.1739 9.1983 9.1983 9.2735 10.0942 10.0942 10.4209 10.4441 k = 0.4184 0.4184 0.4184 ( 6076 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1159 -26.1159 -26.1159 -26.1159 -6.9056 -6.9056 -6.7118 -6.7118 -6.5889 -6.5872 -6.5870 -6.5870 0.8508 0.8508 0.9229 0.9431 0.9785 0.9785 1.2538 1.2538 2.0950 2.1024 2.1024 2.1083 2.3524 2.3536 2.3677 2.3677 2.4190 2.4190 2.6258 2.6258 2.7540 2.7540 2.7905 2.8011 3.7725 3.7725 3.8844 3.9558 3.9629 3.9629 4.0283 4.0283 4.0747 4.1089 4.1089 4.1177 4.1937 4.2421 4.2421 4.2867 4.3386 4.3386 4.4855 4.4855 4.5061 4.5380 4.5440 4.5440 5.8699 5.8720 5.8859 5.8859 5.9369 5.9369 8.3124 8.3515 8.3515 8.3912 9.0252 9.0252 9.1597 9.1817 9.1817 9.2500 10.1317 10.1317 10.3892 10.4119 k = 0.4286 0.4286 0.4286 ( 6076 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1160 -26.1160 -26.1160 -26.1160 -6.8930 -6.8930 -6.7157 -6.7157 -6.5918 -6.5903 -6.5902 -6.5902 0.8482 0.8482 0.9261 0.9439 0.9681 0.9681 1.2391 1.2391 2.1021 2.1087 2.1087 2.1138 2.3576 2.3587 2.3713 2.3713 2.4189 2.4189 2.6337 2.6337 2.7520 2.7520 2.7832 2.7927 3.7727 3.7727 3.8964 3.9672 3.9672 3.9682 4.0271 4.0271 4.0792 4.1040 4.1040 4.1091 4.1974 4.2401 4.2401 4.2814 4.3392 4.3392 4.4755 4.4755 4.4948 4.5220 4.5295 4.5295 5.8941 5.8959 5.9078 5.9078 5.9585 5.9585 8.3205 8.3567 8.3567 8.3927 9.0333 9.0333 9.1431 9.1629 9.1629 9.2239 10.1677 10.1677 10.3635 10.3852 k = 0.4388 0.4388 0.4388 ( 6058 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1160 -26.1160 -26.1160 -26.1160 -6.8818 -6.8818 -6.7192 -6.7192 -6.5943 -6.5930 -6.5930 -6.5930 0.8452 0.8452 0.9288 0.9442 0.9597 0.9597 1.2256 1.2256 2.1089 2.1145 2.1145 2.1189 2.3624 2.3635 2.3739 2.3739 2.4197 2.4197 2.6398 2.6398 2.7516 2.7516 2.7768 2.7851 3.7725 3.7725 3.9089 3.9714 3.9714 3.9795 4.0262 4.0262 4.0827 4.0993 4.0993 4.1006 4.2017 4.2388 4.2388 4.2758 4.3406 4.3406 4.4667 4.4667 4.4843 4.5070 4.5153 4.5153 5.9164 5.9179 5.9275 5.9275 5.9781 5.9781 8.3295 8.3621 8.3621 8.3942 9.0398 9.0398 9.1256 9.1429 9.1429 9.1964 10.2013 10.2013 10.3434 10.3635 k = 0.4490 0.4490 0.4490 ( 6061 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1160 -26.1160 -26.1160 -26.1160 -6.8720 -6.8720 -6.7224 -6.7224 -6.5965 -6.5954 -6.5954 -6.5954 0.8420 0.8420 0.9311 0.9439 0.9529 0.9529 1.2137 1.2137 2.1150 2.1196 2.1196 2.1234 2.3666 2.3676 2.3755 2.3755 2.4212 2.4212 2.6442 2.6442 2.7525 2.7525 2.7713 2.7784 3.7719 3.7719 3.9217 3.9750 3.9750 3.9890 4.0257 4.0257 4.0852 4.0926 4.0950 4.0950 4.2065 4.2380 4.2380 4.2700 4.3425 4.3425 4.4593 4.4593 4.4749 4.4931 4.5016 4.5016 5.9362 5.9374 5.9446 5.9446 5.9953 5.9953 8.3391 8.3676 8.3676 8.3953 9.0447 9.0447 9.1084 9.1231 9.1231 9.1688 10.2318 10.2318 10.3283 10.3461 k = 0.4592 0.4592 0.4592 ( 6068 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1161 -26.1161 -26.1161 -26.1161 -6.8637 -6.8637 -6.7252 -6.7252 -6.5982 -6.5974 -6.5974 -6.5973 0.8390 0.8390 0.9331 0.9434 0.9477 0.9477 1.2036 1.2036 2.1204 2.1240 2.1240 2.1270 2.3703 2.3711 2.3765 2.3765 2.4229 2.4229 2.6470 2.6470 2.7544 2.7544 2.7669 2.7727 3.7712 3.7712 3.9347 3.9780 3.9780 3.9956 4.0258 4.0258 4.0860 4.0866 4.0910 4.0910 4.2118 4.2375 4.2375 4.2639 4.3447 4.3447 4.4536 4.4536 4.4669 4.4809 4.4888 4.4888 5.9531 5.9540 5.9589 5.9589 6.0100 6.0100 8.3490 8.3727 8.3727 8.3958 9.0480 9.0480 9.0930 9.1051 9.1051 9.1424 10.2582 10.2582 10.3174 10.3325 k = 0.4694 0.4694 0.4694 ( 6068 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1161 -26.1161 -26.1161 -26.1161 -6.8571 -6.8571 -6.7274 -6.7274 -6.5995 -6.5990 -6.5990 -6.5989 0.8364 0.8364 0.9348 0.9425 0.9438 0.9438 1.1955 1.1955 2.1249 2.1275 2.1275 2.1299 2.3732 2.3739 2.3770 2.3770 2.4246 2.4246 2.6486 2.6486 2.7566 2.7566 2.7636 2.7680 3.7706 3.7706 3.9476 3.9802 3.9802 3.9985 4.0265 4.0265 4.0817 4.0870 4.0877 4.0877 4.2176 4.2373 4.2373 4.2576 4.3470 4.3470 4.4499 4.4499 4.4606 4.4707 4.4772 4.4772 5.9667 5.9674 5.9702 5.9702 6.0218 6.0218 8.3589 8.3773 8.3773 8.3952 9.0494 9.0494 9.0809 9.0905 9.0905 9.1187 10.2797 10.2797 10.3102 10.3220 k = 0.4796 0.4796 0.4796 ( 6068 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1161 -26.1161 -26.1161 -26.1161 -6.8523 -6.8523 -6.7291 -6.7291 -6.6004 -6.6001 -6.6001 -6.6000 0.8344 0.8344 0.9363 0.9412 0.9412 0.9415 1.1896 1.1896 2.1284 2.1301 2.1301 2.1317 2.3754 2.3758 2.3772 2.3772 2.4261 2.4261 2.6495 2.6495 2.7587 2.7587 2.7614 2.7644 3.7700 3.7700 3.9601 3.9816 3.9816 3.9970 4.0274 4.0274 4.0801 4.0850 4.0850 4.0863 4.2237 4.2372 4.2372 4.2509 4.3491 4.3491 4.4484 4.4484 4.4563 4.4628 4.4672 4.4672 5.9766 5.9771 5.9783 5.9783 6.0304 6.0304 8.3683 8.3808 8.3808 8.3931 9.0489 9.0489 9.0732 9.0807 9.0807 9.0989 10.2950 10.2950 10.3062 10.3143 k = 0.4898 0.4898 0.4898 ( 6044 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1161 -26.1161 -26.1160 -26.1160 -6.8493 -6.8493 -6.7302 -6.7302 -6.6009 -6.6008 -6.6008 -6.6007 0.8332 0.8332 0.9378 0.9396 0.9396 0.9404 1.1860 1.1860 2.1309 2.1318 2.1318 2.1326 2.3768 2.3771 2.3773 2.3773 2.4271 2.4271 2.6499 2.6499 2.7601 2.7601 2.7604 2.7619 3.7696 3.7696 3.9721 3.9825 3.9825 3.9914 4.0282 4.0282 4.0809 4.0833 4.0833 4.0848 4.2303 4.2372 4.2372 4.2441 4.3506 4.3506 4.4493 4.4493 4.4543 4.4574 4.4592 4.4592 5.9828 5.9830 5.9833 5.9833 6.0357 6.0357 8.3768 8.3831 8.3831 8.3894 9.0472 9.0472 9.0708 9.0758 9.0758 9.0838 10.3034 10.3034 10.3048 10.3089 k = 0.5000 0.5000 0.5000 ( 6008 PWs) bands (ev): -61.7749 -61.7749 -34.7255 -34.7255 -26.1160 -26.1160 -26.1160 -26.1160 -6.8484 -6.8484 -6.7306 -6.7306 -6.6010 -6.6010 -6.6010 -6.6010 0.8327 0.8327 0.9391 0.9391 0.9391 0.9391 1.1848 1.1848 2.1323 2.1323 2.1323 2.1323 2.3775 2.3775 2.3775 2.3775 2.4275 2.4275 2.6500 2.6500 2.7606 2.7606 2.7606 2.7606 3.7695 3.7695 3.9828 3.9828 3.9828 3.9828 4.0285 4.0285 4.0828 4.0828 4.0828 4.0828 4.2372 4.2372 4.2372 4.2372 4.3511 4.3511 4.4515 4.4515 4.4546 4.4546 4.4546 4.4546 5.9850 5.9850 5.9850 5.9850 6.0375 6.0375 8.3839 8.3839 8.3839 8.3839 9.0463 9.0463 9.0744 9.0744 9.0744 9.0744 10.3057 10.3057 10.3057 10.3057 k = 0.5000 0.5000 0.5000 ( 6008 PWs) bands (ev): -61.7749 -61.7749 -34.7255 -34.7255 -26.1160 -26.1160 -26.1160 -26.1160 -6.8484 -6.8484 -6.7306 -6.7306 -6.6010 -6.6010 -6.6010 -6.6010 0.8327 0.8327 0.9391 0.9391 0.9391 0.9391 1.1848 1.1848 2.1323 2.1323 2.1323 2.1323 2.3775 2.3775 2.3775 2.3775 2.4275 2.4275 2.6500 2.6500 2.7606 2.7606 2.7606 2.7606 3.7695 3.7695 3.9828 3.9828 3.9828 3.9828 4.0285 4.0285 4.0828 4.0828 4.0828 4.0828 4.2372 4.2372 4.2372 4.2372 4.3511 4.3511 4.4515 4.4515 4.4546 4.4546 4.4546 4.4546 5.9850 5.9850 5.9850 5.9850 6.0375 6.0375 8.3839 8.3839 8.3839 8.3839 9.0463 9.0463 9.0744 9.0744 9.0744 9.0744 10.3057 10.3057 10.3057 10.3057 k = 0.4875 0.5000 0.4875 ( 6056 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1161 -26.1161 -26.1161 -26.1161 -6.8494 -6.8493 -6.7302 -6.7302 -6.6010 -6.6009 -6.6008 -6.6006 0.8332 0.8332 0.9379 0.9392 0.9399 0.9404 1.1860 1.1860 2.1309 2.1315 2.1319 2.1325 2.3767 2.3769 2.3773 2.3774 2.4271 2.4271 2.6498 2.6499 2.7598 2.7604 2.7604 2.7618 3.7696 3.7696 3.9724 3.9800 3.9849 3.9912 4.0281 4.0282 4.0808 4.0829 4.0836 4.0849 4.2306 4.2354 4.2389 4.2438 4.3505 4.3506 4.4484 4.4498 4.4546 4.4575 4.4589 4.4592 5.9826 5.9828 5.9834 5.9835 6.0357 6.0357 8.3769 8.3815 8.3847 8.3893 9.0469 9.0475 9.0709 9.0745 9.0772 9.0836 10.3030 10.3045 10.3047 10.3085 k = 0.4750 0.5000 0.4750 ( 6060 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1161 -26.1161 -26.1161 -26.1161 -6.8523 -6.8523 -6.7292 -6.7291 -6.6008 -6.6004 -6.5998 -6.5996 0.8344 0.8345 0.9366 0.9403 0.9413 0.9420 1.1895 1.1896 2.1284 2.1298 2.1305 2.1318 2.3751 2.3755 2.3774 2.3776 2.4261 2.4262 2.6490 2.6500 2.7579 2.7597 2.7614 2.7640 3.7700 3.7700 3.9608 3.9768 3.9859 3.9972 4.0272 4.0275 4.0793 4.0846 4.0851 4.0875 4.2242 4.2338 4.2406 4.2504 4.3488 4.3496 4.4452 4.4504 4.4576 4.4630 4.4661 4.4678 5.9758 5.9762 5.9790 5.9792 6.0304 6.0305 8.3683 8.3780 8.3836 8.3932 9.0473 9.0514 9.0729 9.0796 9.0814 9.0986 10.2948 10.2992 10.3053 10.3111 k = 0.4625 0.5000 0.4625 ( 6060 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1161 -26.1161 -26.1161 -26.1161 -6.8571 -6.8570 -6.7278 -6.7272 -6.6006 -6.5997 -6.5982 -6.5978 0.8363 0.8367 0.9354 0.9422 0.9424 0.9449 1.1954 1.1956 2.1248 2.1271 2.1280 2.1300 2.3725 2.3730 2.3776 2.3776 2.4248 2.4249 2.6472 2.6503 2.7546 2.7591 2.7636 2.7672 3.7705 3.7707 3.9484 3.9734 3.9851 4.0005 4.0263 4.0266 4.0785 4.0850 4.0895 4.0905 4.2181 4.2325 4.2420 4.2568 4.3464 4.3489 4.4428 4.4541 4.4632 4.4702 4.4757 4.4786 5.9647 5.9654 5.9717 5.9721 6.0219 6.0221 8.3582 8.3736 8.3807 8.3961 9.0458 9.0581 9.0797 9.0864 9.0908 9.1188 10.2812 10.2887 10.3069 10.3116 k = 0.4500 0.5000 0.4500 ( 6064 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1161 -26.1161 -26.1160 -26.1160 -6.8637 -6.8633 -6.7260 -6.7247 -6.6002 -6.5987 -6.5960 -6.5954 0.8387 0.8395 0.9343 0.9435 0.9449 0.9489 1.2034 1.2039 2.1202 2.1236 2.1244 2.1275 2.3690 2.3695 2.3773 2.3775 2.4233 2.4236 2.6437 2.6511 2.7497 2.7592 2.7669 2.7712 3.7711 3.7715 3.9356 3.9699 3.9816 4.0009 4.0257 4.0260 4.0787 4.0846 4.0937 4.0959 4.2124 4.2318 4.2431 4.2629 4.3438 4.3487 4.4415 4.4605 4.4710 4.4787 4.4877 4.4910 5.9494 5.9503 5.9615 5.9620 6.0105 6.0110 8.3472 8.3686 8.3762 8.3979 9.0428 9.0673 9.0902 9.0915 9.1074 9.1432 10.2636 10.2730 10.3090 10.3116 k = 0.4375 0.5000 0.4375 ( 6056 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1161 -26.1161 -26.1160 -26.1160 -6.8718 -6.8712 -6.7240 -6.7216 -6.5998 -6.5973 -6.5932 -6.5924 0.8414 0.8430 0.9336 0.9446 0.9484 0.9541 1.2134 1.2144 2.1146 2.1194 2.1198 2.1243 2.3644 2.3650 2.3764 2.3771 2.4222 2.4225 2.6381 2.6523 2.7433 2.7604 2.7715 2.7761 3.7716 3.7722 3.9229 3.9663 3.9755 3.9988 4.0250 4.0272 4.0800 4.0836 4.0969 4.1037 4.2071 4.2317 4.2438 4.2686 4.3418 4.3496 4.4413 4.4689 4.4804 4.4890 4.5013 4.5044 5.9301 5.9314 5.9484 5.9491 5.9965 5.9974 8.3359 8.3631 8.3709 8.3990 9.0386 9.0781 9.0965 9.1032 9.1275 9.1705 10.2431 10.2534 10.3117 10.3125 k = 0.4250 0.5000 0.4250 ( 6062 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1161 -26.1160 -26.1160 -26.1159 -6.8812 -6.8804 -6.7220 -6.7181 -6.5995 -6.5956 -6.5897 -6.5888 0.8443 0.8466 0.9335 0.9458 0.9526 0.9604 1.2251 1.2268 2.1082 2.1144 2.1145 2.1204 2.3589 2.3593 2.3746 2.3763 2.4219 2.4220 2.6300 2.6539 2.7354 2.7632 2.7773 2.7817 3.7719 3.7727 3.9105 3.9626 3.9673 3.9947 4.0245 4.0298 4.0818 4.0823 4.1001 4.1122 4.2020 4.2325 4.2440 4.2739 4.3407 4.3514 4.4422 4.4783 4.4912 4.5013 4.5160 4.5185 5.9074 5.9089 5.9326 5.9334 5.9804 5.9817 8.3248 8.3574 8.3652 8.3992 9.0333 9.0893 9.1018 9.1180 9.1494 9.1991 10.2211 10.2310 10.3146 10.3155 k = 0.4125 0.5000 0.4125 ( 6058 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1160 -26.1160 -26.1159 -26.1159 -6.8919 -6.8908 -6.7201 -6.7142 -6.5992 -6.5935 -6.5857 -6.5846 0.8470 0.8499 0.9342 0.9472 0.9575 0.9679 1.2384 1.2411 2.1011 2.1082 2.1093 2.1162 2.3525 2.3527 2.3717 2.3749 2.4224 2.4227 2.6196 2.6559 2.7262 2.7677 2.7843 2.7880 3.7716 3.7726 3.8989 3.9578 3.9589 3.9893 4.0243 4.0331 4.0797 4.0855 4.1031 4.1207 4.1973 4.2344 4.2438 4.2789 4.3407 4.3543 4.4444 4.4882 4.5029 4.5162 4.5311 4.5329 5.8816 5.8834 5.9143 5.9151 5.9623 5.9639 8.3143 8.3514 8.3596 8.3986 9.0266 9.0970 9.1097 9.1335 9.1716 9.2278 10.1987 10.2073 10.3188 10.3209 k = 0.4000 0.5000 0.4000 ( 6074 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1160 -26.1160 -26.1159 -26.1159 -6.9036 -6.9023 -6.7183 -6.7101 -6.5988 -6.5910 -6.5811 -6.5798 0.8493 0.8524 0.9363 0.9489 0.9631 0.9764 1.2530 1.2568 2.0935 2.1014 2.1037 2.1115 2.3450 2.3453 2.3679 2.3729 2.4236 2.4246 2.6069 2.6580 2.7161 2.7737 2.7923 2.7950 3.7707 3.7714 3.8886 3.9478 3.9552 3.9831 4.0242 4.0366 4.0771 4.0896 4.1059 4.1287 4.1928 4.2376 4.2432 4.2839 4.3418 4.3580 4.4480 4.4981 4.5151 4.5335 4.5462 4.5474 5.8535 5.8555 5.8937 5.8944 5.9425 5.9443 8.3049 8.3453 8.3546 8.3974 9.0183 9.0991 9.1210 9.1487 9.1928 9.2550 10.1769 10.1832 10.3255 10.3288 k = 0.3875 0.5000 0.3875 ( 6082 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1160 -26.1160 -26.1158 -26.1158 -6.9163 -6.9146 -6.7167 -6.7058 -6.5985 -6.5880 -6.5759 -6.5745 0.8507 0.8536 0.9401 0.9511 0.9694 0.9860 1.2686 1.2739 2.0855 2.0942 2.0979 2.1068 2.3365 2.3374 2.3637 2.3708 2.4258 2.4276 2.5922 2.6595 2.7060 2.7813 2.8013 2.8027 3.7687 3.7688 3.8800 3.9379 3.9516 3.9766 4.0241 4.0400 4.0743 4.0943 4.1084 4.1363 4.1886 4.2419 4.2426 4.2889 4.3438 4.3623 4.4532 4.5081 4.5273 4.5527 4.5610 4.5621 5.8237 5.8257 5.8711 5.8718 5.9210 5.9229 8.2966 8.3391 8.3505 8.3955 9.0080 9.0974 9.1325 9.1625 9.2120 9.2798 10.1568 10.1601 10.3356 10.3398 k = 0.3750 0.5000 0.3750 ( 6084 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1160 -26.1160 -26.1157 -26.1157 -6.9297 -6.9279 -6.7154 -6.7015 -6.5982 -6.5847 -6.5703 -6.5687 0.8512 0.8529 0.9458 0.9538 0.9763 0.9966 1.2849 1.2918 2.0774 2.0866 2.0922 2.1020 2.3273 2.3288 2.3595 2.3688 2.4287 2.4315 2.5759 2.6586 2.6976 2.7901 2.8110 2.8112 3.7643 3.7657 3.8733 3.9289 3.9482 3.9699 4.0241 4.0430 4.0716 4.0994 4.1108 4.1432 4.1848 4.2422 4.2476 4.2942 4.3464 4.3669 4.4600 4.5181 4.5391 4.5717 4.5768 4.5770 5.7929 5.7948 5.8471 5.8473 5.8979 5.8997 8.2898 8.3331 8.3474 8.3932 8.9955 9.0925 9.1422 9.1739 9.2286 9.3014 10.1388 10.1389 10.3498 10.3546 k = 0.3625 0.5000 0.3625 ( 6078 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1160 -26.1160 -26.1156 -26.1156 -6.9438 -6.9418 -6.7145 -6.6972 -6.5976 -6.5808 -6.5642 -6.5625 0.8503 0.8503 0.9532 0.9572 0.9839 1.0080 1.3016 1.3104 2.0692 2.0789 2.0867 2.0973 2.3175 2.3198 2.3556 2.3671 2.4322 2.4361 2.5584 2.6527 2.6938 2.8000 2.8199 2.8219 3.7581 3.7612 3.8688 3.9212 3.9448 3.9634 4.0237 4.0455 4.0692 4.1045 4.1128 4.1496 4.1818 4.2422 4.2543 4.2998 4.3495 4.3716 4.4684 4.5283 4.5500 4.5855 4.5918 4.5984 5.7616 5.7633 5.8216 5.8219 5.8733 5.8747 8.2842 8.3274 8.3450 8.3906 8.9808 9.0840 9.1493 9.1817 9.2419 9.3191 10.1200 10.1239 10.3686 10.3741 k = 0.3500 0.5000 0.3500 ( 6088 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1159 -26.1159 -26.1156 -26.1156 -6.9584 -6.9563 -6.7139 -6.6933 -6.5969 -6.5766 -6.5576 -6.5558 0.8457 0.8479 0.9613 0.9620 0.9922 1.0201 1.3184 1.3293 2.0610 2.0711 2.0814 2.0928 2.3072 2.3105 2.3525 2.3660 2.4362 2.4413 2.5399 2.6414 2.6951 2.8109 2.8292 2.8334 3.7502 3.7553 3.8661 3.9148 3.9415 3.9570 4.0227 4.0475 4.0673 4.1091 4.1144 4.1549 4.1802 4.2428 4.2620 4.3058 4.3526 4.3762 4.4784 4.5386 4.5594 4.5966 4.6072 4.6221 5.7305 5.7317 5.7947 5.7960 5.8475 5.8481 8.2799 8.3221 8.3433 8.3880 8.9638 9.0717 9.1529 9.1854 9.2517 9.3326 10.1046 10.1121 10.3928 10.3988 k = 0.3375 0.5000 0.3375 ( 6092 PWs) bands (ev): -61.7749 -61.7749 -34.7255 -34.7255 -26.1159 -26.1159 -26.1155 -26.1155 -6.9735 -6.9713 -6.7138 -6.6897 -6.5957 -6.5719 -6.5507 -6.5488 0.8394 0.8439 0.9661 0.9715 1.0014 1.0328 1.3351 1.3480 2.0532 2.0635 2.0765 2.0886 2.2967 2.3009 2.3505 2.3658 2.4407 2.4469 2.5208 2.6267 2.6997 2.8227 2.8391 2.8455 3.7409 3.7479 3.8649 3.9101 3.9384 3.9510 4.0209 4.0489 4.0664 4.1129 4.1157 4.1580 4.1818 4.2443 4.2702 4.3123 4.3558 4.3807 4.4895 4.5489 4.5673 4.6057 4.6231 4.6468 5.6999 5.7004 5.7671 5.7698 5.8198 5.8206 8.2766 8.3175 8.3414 8.3861 8.9448 9.0557 9.1526 9.1847 9.2578 9.3418 10.0927 10.1035 10.4227 10.4290 k = 0.3250 0.5000 0.3250 ( 6092 PWs) bands (ev): -61.7749 -61.7749 -34.7255 -34.7255 -26.1159 -26.1159 -26.1154 -26.1154 -6.9889 -6.9867 -6.7140 -6.6867 -6.5940 -6.5668 -6.5433 -6.5413 0.8314 0.8382 0.9715 0.9812 1.0116 1.0459 1.3513 1.3663 2.0458 2.0561 2.0722 2.0847 2.2861 2.2912 2.3500 2.3668 2.4454 2.4528 2.5014 2.6102 2.7062 2.8353 2.8493 2.8583 3.7308 3.7392 3.8646 3.9067 3.9354 3.9456 4.0182 4.0497 4.0664 4.1158 4.1166 4.1580 4.1874 4.2467 4.2789 4.3194 4.3588 4.3851 4.5013 4.5592 4.5736 4.6131 4.6395 4.6723 5.6697 5.6701 5.7390 5.7436 5.7901 5.7930 8.2739 8.3140 8.3385 8.3857 8.9242 9.0359 9.1480 9.1794 9.2600 9.3468 10.0845 10.0982 10.4583 10.4650 k = 0.3125 0.5000 0.3125 ( 6108 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1159 -26.1159 -26.1153 -26.1153 -7.0046 -7.0024 -6.7147 -6.6845 -6.5917 -6.5613 -6.5357 -6.5336 0.8220 0.8308 0.9772 0.9905 1.0230 1.0592 1.3667 1.3838 2.0389 2.0492 2.0685 2.0814 2.2754 2.2815 2.3511 2.3689 2.4501 2.4590 2.4824 2.5927 2.7140 2.8487 2.8600 2.8717 3.7203 3.7295 3.8648 3.9043 3.9324 3.9409 4.0145 4.0499 4.0674 4.1171 4.1178 4.1559 4.1959 4.2499 4.2875 4.3269 4.3615 4.3896 4.5130 4.5692 4.5789 4.6186 4.6563 4.6983 5.6397 5.6413 5.7105 5.7180 5.7591 5.7652 8.2711 8.3120 8.3335 8.3875 8.9023 9.0128 9.1392 9.1697 9.2584 9.3478 10.0799 10.0957 10.4997 10.5066 k = 0.3000 0.5000 0.3000 ( 6118 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1158 -26.1158 -26.1152 -26.1152 -7.0204 -7.0183 -6.7157 -6.6831 -6.5885 -6.5554 -6.5278 -6.5257 0.8114 0.8219 0.9833 0.9991 1.0354 1.0726 1.3813 1.4002 2.0327 2.0427 2.0655 2.0785 2.2649 2.2719 2.3541 2.3723 2.4530 2.4653 2.4658 2.5748 2.7229 2.8629 2.8709 2.8856 3.7096 3.7190 3.8652 3.9026 3.9295 3.9371 4.0100 4.0495 4.0693 4.1172 4.1190 4.1530 4.2061 4.2539 4.2958 4.3351 4.3639 4.3942 4.5230 4.5784 4.5846 4.6228 4.6736 4.7245 5.6101 5.6134 5.6820 5.6934 5.7272 5.7378 8.2678 8.3121 8.3258 8.3920 8.8800 8.9868 9.1263 9.1558 9.2532 9.3453 10.0785 10.0958 10.5466 10.5536 k = 0.2875 0.5000 0.2875 ( 6106 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1158 -26.1158 -26.1151 -26.1151 -7.0364 -7.0343 -6.7171 -6.6826 -6.5845 -6.5492 -6.5196 -6.5175 0.7995 0.8115 0.9894 1.0069 1.0485 1.0858 1.3948 1.4152 2.0273 2.0369 2.0633 2.0762 2.2546 2.2625 2.3590 2.3765 2.4423 2.4642 2.4719 2.5567 2.7326 2.8777 2.8823 2.9001 3.6990 3.7082 3.8656 3.9012 3.9267 3.9346 4.0050 4.0487 4.0721 4.1171 4.1197 4.1501 4.2171 4.2586 4.3034 4.3439 4.3660 4.3994 4.5293 4.5860 4.5926 4.6266 4.6911 4.7510 5.5806 5.5861 5.6540 5.6702 5.6949 5.7114 8.2634 8.3144 8.3154 8.3989 8.8578 8.9585 9.1095 9.1382 9.2447 9.3396 10.0799 10.0979 10.5984 10.6055 k = 0.2750 0.5000 0.2750 ( 6098 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1157 -26.1157 -26.1150 -26.1150 -7.0523 -7.0503 -6.7189 -6.6831 -6.5797 -6.5427 -6.5112 -6.5091 0.7865 0.7997 0.9955 1.0139 1.0620 1.0988 1.4070 1.4287 2.0228 2.0320 2.0618 2.0744 2.2446 2.2534 2.3660 2.3808 2.4271 2.4693 2.4783 2.5389 2.7433 2.8928 2.8944 2.9150 3.6887 3.6971 3.8657 3.8994 3.9239 3.9336 3.9996 4.0472 4.0754 4.1167 4.1199 4.1471 4.2286 4.2636 4.3099 4.3533 4.3679 4.4050 4.5306 4.5904 4.6044 4.6315 4.7087 4.7774 5.5502 5.5587 5.6271 5.6490 5.6628 5.6867 8.2578 8.3022 8.3188 8.4079 8.8365 8.9288 9.0892 9.1173 9.2333 9.3312 10.0835 10.1014 10.6545 10.6615 k = 0.2625 0.5000 0.2625 ( 6106 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1157 -26.1157 -26.1149 -26.1149 -7.0681 -7.0662 -6.7209 -6.6844 -6.5740 -6.5360 -6.5027 -6.5006 0.7726 0.7867 1.0013 1.0201 1.0755 1.1113 1.4179 1.4405 2.0192 2.0278 2.0610 2.0730 2.2349 2.2445 2.3749 2.3818 2.4169 2.4752 2.4843 2.5218 2.7549 2.9053 2.9100 2.9305 3.6787 3.6859 3.8653 3.8972 3.9212 3.9339 3.9939 4.0452 4.0790 4.1160 4.1198 4.1444 4.2401 4.2687 4.3150 4.3631 4.3698 4.4111 4.5272 4.5904 4.6198 4.6390 4.7264 4.8036 5.5181 5.5304 5.6020 5.6299 5.6317 5.6642 8.2508 8.2864 8.3252 8.4187 8.8167 8.8984 9.0659 9.0933 9.2196 9.3206 10.0884 10.1057 10.7142 10.7209 k = 0.2500 0.5000 0.2500 ( 6126 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1157 -26.1157 -26.1148 -26.1148 -7.0838 -7.0820 -6.7232 -6.6865 -6.5678 -6.5292 -6.4941 -6.4921 0.7579 0.7726 1.0068 1.0255 1.0888 1.1232 1.4275 1.4505 2.0167 2.0246 2.0610 2.0722 2.2257 2.2360 2.3749 2.3855 2.4166 2.4815 2.4875 2.5081 2.7675 2.9174 2.9269 2.9464 3.6691 3.6748 3.8644 3.8946 3.9187 3.9354 3.9882 4.0427 4.0830 4.1151 4.1195 4.1419 4.2513 4.2736 4.3189 4.3697 4.3753 4.4174 4.5203 4.5861 4.6378 4.6490 4.7441 4.8295 5.4837 5.5004 5.5793 5.6016 5.6142 5.6443 8.2425 8.2679 8.3332 8.4310 8.7989 8.8681 9.0401 9.0668 9.2040 9.3080 10.0941 10.1103 10.7766 10.7829 k = 0.2375 0.5000 0.2375 ( 6110 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1157 -26.1157 -26.1146 -26.1146 -7.0992 -7.0975 -6.7256 -6.6892 -6.5609 -6.5223 -6.4855 -6.4835 0.7425 0.7575 1.0119 1.0301 1.1016 1.1344 1.4356 1.4587 2.0153 2.0224 2.0616 2.0718 2.2170 2.2280 2.3629 2.3976 2.4238 2.4802 2.4880 2.5055 2.7810 2.9297 2.9445 2.9628 3.6601 3.6641 3.8628 3.8918 3.9166 3.9379 3.9827 4.0398 4.0873 4.1140 4.1192 4.1399 4.2617 4.2779 4.3218 4.3719 4.3861 4.4234 4.5115 4.5787 4.6579 4.6608 4.7618 4.8549 5.4469 5.4682 5.5591 5.5744 5.6009 5.6271 8.2328 8.2471 8.3427 8.4446 8.7836 8.8390 9.0122 9.0381 9.1869 9.2940 10.0999 10.1144 10.8409 10.8464 k = 0.2250 0.5000 0.2250 ( 6110 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1156 -26.1156 -26.1145 -26.1145 -7.1143 -7.1128 -6.7283 -6.6924 -6.5536 -6.5153 -6.4768 -6.4749 0.7265 0.7417 1.0164 1.0339 1.1138 1.1447 1.4424 1.4652 2.0149 2.0212 2.0628 2.0718 2.2089 2.2204 2.3500 2.4107 2.4341 2.4663 2.4946 2.5105 2.7955 2.9421 2.9627 2.9797 3.6515 3.6536 3.8605 3.8890 3.9148 3.9409 3.9774 4.0364 4.0915 4.1127 4.1188 4.1382 4.2704 4.2813 4.3247 4.3739 4.3978 4.4281 4.5022 4.5688 4.6737 4.6790 4.7793 4.8795 5.4081 5.4336 5.5412 5.5501 5.5903 5.6128 8.2213 8.2241 8.3532 8.4593 8.7709 8.8117 8.9828 9.0078 9.1689 9.2788 10.1050 10.1177 10.9062 10.9106 k = 0.2125 0.5000 0.2125 ( 6098 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1156 -26.1155 -26.1144 -26.1144 -7.1290 -7.1276 -6.7310 -6.6961 -6.5461 -6.5083 -6.4683 -6.4664 0.7101 0.7252 1.0204 1.0370 1.1251 1.1541 1.4479 1.4701 2.0156 2.0211 2.0645 2.0722 2.2013 2.2134 2.3376 2.4241 2.4458 2.4523 2.5014 2.5170 2.8111 2.9546 2.9815 2.9971 3.6433 3.6434 3.8576 3.8862 3.9137 3.9442 3.9724 4.0329 4.0957 4.1114 4.1185 4.1369 4.2764 4.2834 4.3288 4.3765 4.4100 4.4297 4.4944 4.5572 4.6875 4.7007 4.7967 4.9031 5.3677 5.3969 5.5256 5.5289 5.5822 5.6013 8.1993 8.2079 8.3648 8.4748 8.7609 8.7870 8.9524 8.9763 9.1501 9.2627 10.1089 10.1196 10.9715 10.9745 k = 0.2000 0.5000 0.2000 ( 6118 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1156 -26.1156 -26.1143 -26.1143 -7.1433 -7.1420 -6.7338 -6.7001 -6.5383 -6.5015 -6.4598 -6.4581 0.6934 0.7083 1.0237 1.0393 1.1355 1.1625 1.4521 1.4735 2.0172 2.0219 2.0665 2.0727 2.1944 2.2069 2.3265 2.4315 2.4452 2.4582 2.5083 2.5237 2.8277 2.9672 3.0007 3.0148 3.6335 3.6355 3.8541 3.8836 3.9132 3.9477 3.9678 4.0292 4.0992 4.1102 4.1182 4.1359 4.2784 4.2840 4.3353 4.3798 4.4224 4.4261 4.4902 4.5441 4.7017 4.7224 4.8140 4.9253 5.3262 5.3585 5.5109 5.5122 5.5762 5.5922 8.1731 8.1925 8.3771 8.4909 8.7535 8.7654 8.9214 8.9440 9.1308 9.2458 10.1111 10.1197 11.0357 11.0369 k = 0.1875 0.5000 0.1875 ( 6122 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1155 -26.1155 -26.1142 -26.1142 -7.1570 -7.1559 -6.7366 -6.7042 -6.5304 -6.4948 -6.4515 -6.4499 0.6767 0.6913 1.0264 1.0408 1.1450 1.1698 1.4553 1.4755 2.0199 2.0238 2.0688 2.0735 2.1881 2.2010 2.3167 2.4217 2.4563 2.4708 2.5152 2.5304 2.8452 2.9799 3.0204 3.0329 3.6240 3.6280 3.8504 3.8811 3.9134 3.9511 3.9636 4.0256 4.1012 4.1102 4.1180 4.1352 4.2765 4.2831 4.3444 4.3840 4.4170 4.4349 4.4906 4.5303 4.7163 4.7436 4.8312 4.9458 5.2842 5.3191 5.4960 5.5013 5.5720 5.5853 8.1460 8.1750 8.3899 8.5073 8.7475 8.7483 8.8904 8.9116 9.1113 9.2283 10.1113 10.1177 11.0967 11.0977 k = 0.1750 0.5000 0.1750 ( 6140 PWs) bands (ev): -61.7750 -61.7750 -34.7254 -34.7254 -26.1155 -26.1155 -26.1142 -26.1142 -7.1701 -7.1691 -6.7394 -6.7086 -6.5225 -6.4883 -6.4435 -6.4420 0.6601 0.6741 1.0284 1.0417 1.1534 1.1762 1.4573 1.4764 2.0233 2.0267 2.0713 2.0744 2.1824 2.1956 2.3083 2.4099 2.4701 2.4834 2.5222 2.5371 2.8636 2.9926 3.0403 3.0514 3.6148 3.6206 3.8466 3.8789 3.9143 3.9543 3.9599 4.0222 4.1004 4.1121 4.1180 4.1347 4.2715 4.2809 4.3555 4.3889 4.4038 4.4471 4.4943 4.5163 4.7310 4.7636 4.8481 4.9642 5.2419 5.2792 5.4845 5.4930 5.5694 5.5802 8.1186 8.1556 8.4030 8.5236 8.7334 8.7451 8.8597 8.8797 9.0918 9.2104 10.1092 10.1135 11.1528 11.1563 k = 0.1625 0.5000 0.1625 ( 6140 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1155 -26.1155 -26.1141 -26.1141 -7.1826 -7.1817 -6.7420 -6.7130 -6.5147 -6.4822 -6.4357 -6.4343 0.6437 0.6571 1.0299 1.0420 1.1609 1.1816 1.4584 1.4763 2.0275 2.0303 2.0738 2.0753 2.1775 2.1909 2.3015 2.3987 2.4838 2.4956 2.5292 2.5436 2.8828 3.0052 3.0603 3.0700 3.6061 3.6134 3.8432 3.8770 3.9158 3.9567 3.9574 4.0193 4.0980 4.1152 4.1180 4.1344 4.2642 4.2774 4.3676 4.3887 4.3942 4.4579 4.4998 4.5036 4.7457 4.7821 4.8644 4.9799 5.2000 5.2392 5.4763 5.4878 5.5679 5.5766 8.0912 8.1345 8.4161 8.5395 8.7230 8.7435 8.8301 8.8490 9.0724 9.1922 10.1045 10.1070 11.2037 11.2099 k = 0.1500 0.5000 0.1500 ( 6120 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1154 -26.1154 -26.1139 -26.1139 -7.1944 -7.1936 -6.7446 -6.7174 -6.5071 -6.4763 -6.4283 -6.4270 0.6278 0.6405 1.0308 1.0417 1.1674 1.1861 1.4588 1.4753 2.0322 2.0347 2.0762 2.0763 2.1734 2.1867 2.2962 2.3884 2.4968 2.5073 2.5362 2.5499 2.9026 3.0176 3.0803 3.0888 3.5976 3.6062 3.8406 3.8754 3.9180 3.9540 3.9602 4.0170 4.0947 4.1180 4.1184 4.1342 4.2555 4.2731 4.3696 4.3835 4.3995 4.4639 4.4961 4.5062 4.7602 4.7988 4.8800 4.9926 5.1588 5.1995 5.4717 5.4858 5.5675 5.5742 8.0645 8.1121 8.4290 8.5541 8.7163 8.7428 8.8019 8.8206 9.0534 9.1737 10.0975 10.0983 11.2482 11.2569 k = 0.1375 0.5000 0.1375 ( 6116 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1154 -26.1154 -26.1139 -26.1138 -7.2054 -7.2048 -6.7470 -6.7217 -6.4997 -6.4708 -6.4212 -6.4201 0.6125 0.6244 1.0312 1.0409 1.1730 1.1898 1.4585 1.4737 2.0373 2.0396 2.0772 2.0786 2.1699 2.1831 2.2924 2.3791 2.5089 2.5181 2.5432 2.5559 2.9227 3.0297 3.1000 3.1076 3.5895 3.5990 3.8389 3.8741 3.9207 3.9518 3.9626 4.0153 4.0907 4.1177 4.1213 4.1340 4.2458 4.2681 4.3534 4.3968 4.4033 4.4608 4.4994 4.5128 4.7741 4.8134 4.8942 5.0016 5.1190 5.1606 5.4707 5.4872 5.5678 5.5727 8.0387 8.0888 8.4413 8.5664 8.7126 8.7422 8.7760 8.7962 9.0348 9.1550 10.0876 10.0881 11.2850 11.2953 k = 0.1250 0.5000 0.1250 ( 6132 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1154 -26.1154 -26.1138 -26.1138 -7.2157 -7.2151 -6.7492 -6.7259 -6.4925 -6.4658 -6.4146 -6.4135 0.5980 0.6090 1.0312 1.0398 1.1777 1.1927 1.4576 1.4715 2.0426 2.0449 2.0781 2.0807 2.1671 2.1800 2.2898 2.3706 2.5199 2.5278 2.5500 2.5615 2.9428 3.0414 3.1193 3.1260 3.5816 3.5915 3.8385 3.8730 3.9236 3.9504 3.9648 4.0141 4.0860 4.1167 4.1239 4.1336 4.2358 4.2626 4.3364 4.4030 4.4113 4.4555 4.5090 4.5194 4.7874 4.8261 4.9067 5.0064 5.0815 5.1228 5.4731 5.4918 5.5687 5.5718 8.0143 8.0651 8.4525 8.5748 8.7110 8.7406 8.7536 8.7782 9.0168 9.1361 10.0752 10.0768 11.3128 11.3231 k = 0.1125 0.5000 0.1125 ( 6120 PWs) bands (ev): -61.7750 -61.7750 -34.7253 -34.7253 -26.1153 -26.1153 -26.1137 -26.1137 -7.2251 -7.2246 -6.7511 -6.7300 -6.4857 -6.4613 -6.4084 -6.4075 0.5845 0.5945 1.0309 1.0384 1.1817 1.1949 1.4564 1.4689 2.0479 2.0504 2.0789 2.0827 2.1651 2.1774 2.2886 2.3629 2.5299 2.5365 2.5568 2.5668 2.9628 3.0525 3.1380 3.1440 3.5741 3.5840 3.8394 3.8723 3.9269 3.9499 3.9668 4.0136 4.0809 4.1148 4.1261 4.1333 4.2262 4.2570 4.3199 4.3963 4.4264 4.4552 4.5204 4.5259 4.7999 4.8368 4.9171 5.0049 5.0488 5.0865 5.4788 5.4992 5.5701 5.5714 7.9917 8.0416 8.4622 8.5776 8.7092 8.7373 8.7377 8.7684 8.9998 9.1172 10.0615 10.0639 11.3311 11.3389 k = 0.1000 0.5000 0.1000 ( 6112 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1153 -26.1153 -26.1136 -26.1136 -7.2336 -7.2332 -6.7528 -6.7339 -6.4793 -6.4573 -6.4028 -6.4020 0.5720 0.5810 1.0303 1.0369 1.1851 1.1966 1.4549 1.4661 2.0530 2.0558 2.0796 2.0844 2.1636 2.1751 2.2884 2.3559 2.5388 2.5441 2.5632 2.5717 2.9824 3.0627 3.1558 3.1613 3.5669 3.5764 3.8417 3.8718 3.9300 3.9507 3.9687 4.0135 4.0753 4.1112 4.1280 4.1328 4.2178 4.2513 4.3044 4.3840 4.4418 4.4601 4.5319 4.5319 4.8112 4.8458 4.9253 4.9909 5.0279 5.0520 5.4873 5.5090 5.5714 5.5718 7.9712 8.0188 8.4698 8.5737 8.7032 8.7313 8.7359 8.7651 8.9839 9.0982 10.0472 10.0500 11.3398 11.3433 k = 0.0875 0.5000 0.0875 ( 6116 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1153 -26.1153 -26.1135 -26.1135 -7.2412 -7.2409 -6.7542 -6.7376 -6.4734 -6.4538 -6.3977 -6.3970 0.5607 0.5686 1.0296 1.0352 1.1878 1.1977 1.4533 1.4632 2.0577 2.0610 2.0804 2.0860 2.1627 2.1732 2.2893 2.3494 2.5465 2.5506 2.5693 2.5761 3.0011 3.0719 3.1725 3.1776 3.5600 3.5689 3.8452 3.8716 3.9329 3.9532 3.9705 4.0137 4.0692 4.1051 4.1294 4.1324 4.2112 4.2457 4.2903 4.3687 4.4574 4.4681 4.5373 4.5429 4.8212 4.8529 4.9313 4.9660 5.0184 5.0200 5.4977 5.5202 5.5715 5.5737 7.9529 7.9970 8.4749 8.5638 8.6951 8.7337 8.7377 8.7648 8.9696 9.0792 10.0327 10.0357 11.3396 11.3406 k = 0.0750 0.5000 0.0750 ( 6112 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1153 -26.1153 -26.1135 -26.1135 -7.2478 -7.2476 -6.7553 -6.7410 -6.4679 -6.4510 -6.3933 -6.3927 0.5507 0.5576 1.0288 1.0335 1.1901 1.1985 1.4517 1.4603 2.0619 2.0656 2.0813 2.0874 2.1622 2.1716 2.2910 2.3435 2.5531 2.5561 2.5747 2.5800 3.0188 3.0799 3.1879 3.1926 3.5537 3.5615 3.8497 3.8716 3.9356 3.9574 3.9721 4.0141 4.0629 4.0965 4.1304 4.1321 4.2069 4.2405 4.2780 4.3523 4.4731 4.4776 4.5418 4.5529 4.8295 4.8582 4.9351 4.9404 4.9911 5.0113 5.5092 5.5321 5.5718 5.5759 7.9372 7.9767 8.4774 8.5499 8.6898 8.7394 8.7419 8.7659 8.9574 9.0603 10.0187 10.0217 11.3317 11.3360 k = 0.0625 0.5000 0.0625 ( 6108 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1152 -26.1152 -26.1134 -26.1134 -7.2535 -7.2533 -6.7561 -6.7441 -6.4630 -6.4487 -6.3894 -6.3889 0.5422 0.5480 1.0281 1.0319 1.1920 1.1989 1.4503 1.4574 2.0655 2.0694 2.0826 2.0887 2.1622 2.1703 2.2935 2.3379 2.5586 2.5607 2.5795 2.5834 3.0352 3.0864 3.2016 3.2059 3.5480 3.5546 3.8547 3.8718 3.9385 3.9632 3.9734 4.0146 4.0564 4.0854 4.1310 4.1319 4.2051 4.2355 4.2681 4.3355 4.4878 4.4886 4.5452 4.5613 4.8355 4.8616 4.9186 4.9357 4.9676 5.0039 5.5210 5.5435 5.5723 5.5781 7.9242 7.9583 8.4776 8.5346 8.6886 8.7455 8.7465 8.7686 8.9479 9.0416 10.0057 10.0084 11.3227 11.3286 k = 0.0500 0.5000 0.0500 ( 6114 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1152 -26.1152 -26.1134 -26.1134 -7.2582 -7.2580 -6.7566 -6.7469 -6.4587 -6.4472 -6.3862 -6.3858 0.5352 0.5398 1.0275 1.0305 1.1936 1.1990 1.4490 1.4548 2.0684 2.0720 2.0842 2.0898 2.1624 2.1690 2.2966 2.3326 2.5631 2.5644 2.5835 2.5862 3.0499 3.0911 3.2135 3.2172 3.5431 3.5483 3.8596 3.8721 3.9421 3.9703 3.9740 4.0153 4.0499 4.0723 4.1314 4.1316 4.2054 4.2310 4.2609 4.3190 4.4980 4.5036 4.5475 4.5675 4.8385 4.8626 4.9028 4.9283 4.9555 4.9961 5.5321 5.5533 5.5732 5.5804 7.9140 7.9421 8.4766 8.5196 8.6912 8.7461 8.7540 8.7728 8.9419 9.0233 9.9943 9.9967 11.3142 11.3204 k = 0.0375 0.5000 0.0375 ( 6114 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1152 -26.1152 -26.1134 -26.1134 -7.2618 -7.2617 -6.7566 -6.7494 -6.4549 -6.4462 -6.3837 -6.3834 0.5298 0.5333 1.0270 1.0292 1.1948 1.1989 1.4482 1.4525 2.0706 2.0736 2.0862 2.0906 2.1629 2.1679 2.3003 2.3275 2.5665 2.5673 2.5866 2.5884 3.0628 3.0938 3.2232 3.2262 3.5391 3.5430 3.8641 3.8724 3.9466 3.9736 3.9787 4.0163 4.0437 4.0583 4.1314 4.1315 4.2073 4.2268 4.2569 4.3034 4.5079 4.5175 4.5486 4.5709 4.8387 4.8606 4.8939 4.9149 4.9543 4.9880 5.5418 5.5598 5.5754 5.5826 7.9068 7.9283 8.4753 8.5059 8.6969 8.7434 8.7613 8.7771 8.9400 9.0056 9.9850 9.9869 11.3073 11.3127 k = 0.0250 0.5000 0.0250 ( 6112 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1152 -26.1152 -26.1133 -26.1133 -7.2644 -7.2644 -6.7564 -6.7515 -6.4518 -6.4460 -6.3819 -6.3817 0.5261 0.5284 1.0267 1.0281 1.1959 1.1985 1.4477 1.4507 2.0722 2.0743 2.0881 2.0912 2.1635 2.1669 2.3043 2.3225 2.5690 2.5694 2.5889 2.5900 3.0737 3.0945 3.2306 3.2327 3.5362 3.5388 3.8677 3.8726 3.9521 3.9718 3.9883 4.0173 4.0380 4.0444 4.1313 4.1315 4.2102 4.2231 4.2564 4.2891 4.5170 4.5286 4.5499 4.5710 4.8378 4.8554 4.8908 4.9041 4.9567 4.9800 5.5496 5.5623 5.5791 5.5844 7.9027 7.9173 8.4748 8.4945 8.7047 8.7381 8.7681 8.7798 8.9426 8.9889 9.9782 9.9794 11.3025 11.3065 k = 0.0125 0.5000 0.0125 ( 6118 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1152 -26.1152 -26.1133 -26.1133 -7.2660 -7.2660 -6.7557 -6.7533 -6.4493 -6.4464 -6.3807 -6.3806 0.5241 0.5252 1.0266 1.0274 1.1968 1.1981 1.4477 1.4492 2.0734 2.0744 2.0897 2.0912 2.1642 2.1660 2.3085 2.3177 2.5704 2.5706 2.5904 2.5908 3.0824 3.0928 3.2353 3.2364 3.5346 3.5359 3.8702 3.8724 3.9581 3.9685 3.9990 4.0169 4.0331 4.0332 4.1312 4.1314 4.2133 4.2197 4.2596 4.2765 4.5248 4.5330 4.5543 4.5677 4.8385 4.8484 4.8912 4.8973 4.9608 4.9726 5.5555 5.5618 5.5827 5.5853 7.9017 7.9091 8.4760 8.4856 8.7134 8.7309 8.7738 8.7801 8.9495 8.9734 9.9741 9.9747 11.3000 11.3021 k = 0.0000 0.5000-0.0000 ( 6126 PWs) bands (ev): -61.7750 -61.7750 -34.7252 -34.7252 -26.1152 -26.1152 -26.1134 -26.1134 -7.2665 -7.2665 -6.7547 -6.7547 -6.4476 -6.4476 -6.3803 -6.3803 0.5238 0.5238 1.0268 1.0268 1.1975 1.1975 1.4482 1.4482 2.0740 2.0740 2.0907 2.0907 2.1651 2.1651 2.3131 2.3131 2.5710 2.5710 2.5910 2.5910 3.0888 3.0888 3.2373 3.2373 3.5345 3.5345 3.8717 3.8717 3.9637 3.9637 4.0099 4.0099 4.0302 4.0302 4.1313 4.1313 4.2165 4.2165 4.2665 4.2665 4.5306 4.5306 4.5615 4.5615 4.8422 4.8422 4.8934 4.8934 4.9661 4.9661 5.5595 5.5595 5.5848 5.5848 7.9039 7.9039 8.4795 8.4795 8.7224 8.7224 8.7779 8.7779 8.9601 8.9601 9.9729 9.9729 11.2999 11.2999 k = 0.5000 0.5000-0.0000 ( 6152 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1162 -26.1162 -26.1144 -26.1144 -7.0286 -7.0286 -6.7134 -6.7134 -6.6069 -6.6069 -6.4947 -6.4947 0.8757 0.8757 1.0484 1.0484 1.0781 1.0781 1.7088 1.7088 1.9918 1.9918 2.0735 2.0735 2.2071 2.2071 2.2308 2.2308 2.3874 2.3874 2.5507 2.5507 2.6953 2.6953 2.7978 2.7978 3.6441 3.6441 3.9027 3.9027 3.9603 3.9603 4.0019 4.0019 4.1293 4.1293 4.1570 4.1570 4.1599 4.1599 4.4988 4.4988 4.5370 4.5370 4.5824 4.5824 4.6568 4.6568 4.6854 4.6854 5.2497 5.2497 5.2624 5.2624 5.8494 5.8494 8.3715 8.3715 8.5075 8.5075 8.6337 8.6337 9.2133 9.2133 9.2315 9.2315 10.7927 10.7927 10.8054 10.8054 k = 0.5000 0.5000 0.0172 ( 6124 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1162 -26.1162 -26.1143 -26.1143 -7.0282 -7.0282 -6.7134 -6.7134 -6.6069 -6.6069 -6.4949 -6.4949 0.8758 0.8758 1.0479 1.0479 1.0778 1.0778 1.7061 1.7061 1.9922 1.9922 2.0740 2.0740 2.2075 2.2075 2.2313 2.2313 2.3891 2.3891 2.5504 2.5504 2.6955 2.6955 2.7979 2.7979 3.6447 3.6447 3.9030 3.9030 3.9594 3.9594 4.0027 4.0027 4.1289 4.1289 4.1556 4.1556 4.1614 4.1614 4.4968 4.4968 4.5376 4.5376 4.5819 4.5819 4.6564 4.6564 4.6855 4.6855 5.2507 5.2507 5.2659 5.2659 5.8499 5.8499 8.3695 8.3695 8.5055 8.5055 8.6387 8.6387 9.2136 9.2136 9.2321 9.2321 10.7900 10.7900 10.8026 10.8026 k = 0.5000 0.5000 0.0345 ( 6124 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1162 -26.1162 -26.1144 -26.1144 -7.0270 -7.0270 -6.7134 -6.7134 -6.6069 -6.6069 -6.4956 -6.4956 0.8762 0.8762 1.0462 1.0462 1.0766 1.0766 1.6982 1.6982 1.9931 1.9931 2.0752 2.0752 2.2084 2.2084 2.2325 2.2325 2.3939 2.3939 2.5494 2.5494 2.6959 2.6959 2.7980 2.7980 3.6464 3.6464 3.9037 3.9037 3.9568 3.9568 4.0047 4.0047 4.1273 4.1273 4.1534 4.1534 4.1636 4.1636 4.4910 4.4910 4.5388 4.5388 4.5802 4.5802 4.6550 4.6550 4.6856 4.6856 5.2545 5.2545 5.2751 5.2751 5.8513 5.8513 8.3635 8.3635 8.5005 8.5005 8.6526 8.6526 9.2143 9.2143 9.2338 9.2338 10.7821 10.7821 10.7945 10.7945 k = 0.5000 0.5000 0.0517 ( 6132 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1162 -26.1162 -26.1144 -26.1144 -7.0251 -7.0251 -6.7133 -6.7133 -6.6068 -6.6068 -6.4968 -6.4968 0.8768 0.8768 1.0434 1.0434 1.0746 1.0746 1.6856 1.6856 1.9945 1.9945 2.0771 2.0771 2.2100 2.2100 2.2346 2.2346 2.4017 2.4017 2.5477 2.5477 2.6966 2.6966 2.7981 2.7981 3.6491 3.6491 3.9049 3.9049 3.9530 3.9530 4.0075 4.0075 4.1246 4.1246 4.1513 4.1513 4.1657 4.1657 4.4826 4.4826 4.5395 4.5395 4.5776 4.5776 4.6525 4.6525 4.6858 4.6858 5.2621 5.2621 5.2890 5.2890 5.8536 5.8536 8.3543 8.3543 8.4942 8.4942 8.6729 8.6729 9.2156 9.2156 9.2365 9.2365 10.7691 10.7691 10.7811 10.7811 k = 0.5000 0.5000 0.0690 ( 6132 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1162 -26.1162 -26.1144 -26.1144 -7.0225 -7.0225 -6.7132 -6.7132 -6.6067 -6.6067 -6.4983 -6.4983 0.8776 0.8776 1.0397 1.0397 1.0718 1.0718 1.6689 1.6689 1.9966 1.9966 2.0791 2.0791 2.2123 2.2123 2.2375 2.2375 2.4122 2.4122 2.5454 2.5454 2.6976 2.6976 2.7983 2.7983 3.6528 3.6528 3.9064 3.9064 3.9485 3.9485 4.0109 4.0109 4.1209 4.1209 4.1497 4.1497 4.1676 4.1676 4.4724 4.4724 4.5391 4.5391 4.5740 4.5740 4.6489 4.6489 4.6861 4.6861 5.2740 5.2740 5.3067 5.3067 5.8568 5.8568 8.3426 8.3426 8.4879 8.4879 8.6976 8.6976 9.2173 9.2173 9.2401 9.2401 10.7514 10.7514 10.7629 10.7629 k = 0.5000 0.5000 0.0862 ( 6124 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1162 -26.1162 -26.1145 -26.1145 -7.0191 -7.0191 -6.7132 -6.7132 -6.6065 -6.6065 -6.5004 -6.5004 0.8785 0.8785 1.0350 1.0350 1.0683 1.0683 1.6489 1.6489 1.9992 1.9992 2.0812 2.0812 2.2153 2.2153 2.2412 2.2412 2.4250 2.4250 2.5424 2.5424 2.6988 2.6988 2.7984 2.7984 3.6577 3.6577 3.9081 3.9081 3.9438 3.9438 4.0144 4.0144 4.1164 4.1164 4.1484 4.1484 4.1694 4.1694 4.4611 4.4611 4.5373 4.5373 4.5696 4.5696 4.6443 4.6443 4.6863 4.6863 5.2902 5.2902 5.3280 5.3280 5.8608 5.8608 8.3294 8.3294 8.4821 8.4821 8.7254 8.7254 9.2195 9.2195 9.2442 9.2442 10.7294 10.7294 10.7402 10.7402 k = 0.5000 0.5000 0.1034 ( 6124 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1162 -26.1162 -26.1145 -26.1145 -7.0150 -7.0150 -6.7131 -6.7131 -6.6063 -6.6063 -6.5028 -6.5028 0.8796 0.8796 1.0294 1.0294 1.0641 1.0641 1.6261 1.6261 2.0024 2.0024 2.0830 2.0830 2.2191 2.2191 2.2456 2.2456 2.4397 2.4397 2.5388 2.5388 2.7003 2.7003 2.7986 2.7986 3.6634 3.6634 3.9094 3.9094 3.9393 3.9393 4.0181 4.0181 4.1111 4.1111 4.1475 4.1475 4.1709 4.1709 4.4488 4.4488 4.5340 4.5340 4.5641 4.5641 4.6386 4.6386 4.6863 4.6863 5.3104 5.3104 5.3525 5.3525 5.8656 5.8656 8.3155 8.3155 8.4767 8.4767 8.7552 8.7552 9.2219 9.2219 9.2488 9.2488 10.7037 10.7037 10.7137 10.7137 k = 0.5000 0.5000 0.1207 ( 6108 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1161 -26.1161 -26.1146 -26.1146 -7.0103 -7.0103 -6.7129 -6.7129 -6.6061 -6.6061 -6.5057 -6.5057 0.8807 0.8807 1.0231 1.0231 1.0593 1.0593 1.6014 1.6014 2.0061 2.0061 2.0845 2.0845 2.2237 2.2237 2.2506 2.2506 2.4558 2.4558 2.5348 2.5348 2.7020 2.7020 2.7987 2.7987 3.6701 3.6701 3.9098 3.9098 3.9361 3.9361 4.0216 4.0216 4.1053 4.1053 4.1469 4.1469 4.1724 4.1724 4.4358 4.4358 4.5295 4.5295 4.5575 4.5575 4.6322 4.6322 4.6858 4.6858 5.3345 5.3345 5.3798 5.3798 5.8711 5.8711 8.3018 8.3018 8.4717 8.4717 8.7865 8.7865 9.2245 9.2245 9.2535 9.2535 10.6748 10.6748 10.6840 10.6840 k = 0.5000 0.5000 0.1379 ( 6092 PWs) bands (ev): -61.7749 -61.7749 -34.7255 -34.7255 -26.1161 -26.1161 -26.1146 -26.1146 -7.0048 -7.0048 -6.7129 -6.7129 -6.6059 -6.6059 -6.5090 -6.5090 0.8817 0.8817 1.0162 1.0162 1.0539 1.0539 1.5752 1.5752 2.0104 2.0104 2.0856 2.0856 2.2291 2.2291 2.2563 2.2563 2.4727 2.4727 2.5302 2.5302 2.7040 2.7040 2.7987 2.7987 3.6777 3.6777 3.9083 3.9083 3.9351 3.9351 4.0250 4.0250 4.0992 4.0992 4.1466 4.1466 4.1738 4.1738 4.4223 4.4223 4.5240 4.5240 4.5497 4.5497 4.6252 4.6252 4.6847 4.6847 5.3621 5.3621 5.4096 5.4096 5.8773 5.8773 8.2888 8.2888 8.4669 8.4669 8.8186 8.8186 9.2270 9.2270 9.2581 9.2581 10.6436 10.6436 10.6518 10.6518 k = 0.5000 0.5000 0.1552 ( 6088 PWs) bands (ev): -61.7749 -61.7749 -34.7255 -34.7255 -26.1161 -26.1161 -26.1147 -26.1147 -6.9988 -6.9988 -6.7128 -6.7128 -6.6056 -6.6056 -6.5127 -6.5127 0.8826 0.8826 1.0089 1.0089 1.0479 1.0479 1.5481 1.5481 2.0151 2.0151 2.0866 2.0866 2.2352 2.2352 2.2626 2.2626 2.4900 2.4900 2.5253 2.5253 2.7061 2.7061 2.7985 2.7985 3.6861 3.6861 3.9048 3.9048 3.9365 3.9365 4.0282 4.0282 4.0929 4.0929 4.1464 4.1464 4.1753 4.1753 4.4083 4.4083 4.5176 4.5176 4.5406 4.5406 4.6175 4.6175 4.6827 4.6827 5.3928 5.3928 5.4417 5.4417 5.8841 5.8841 8.2770 8.2770 8.4622 8.4622 8.8512 8.8512 9.2290 9.2290 9.2622 9.2622 10.6108 10.6108 10.6179 10.6179 k = 0.5000 0.5000 0.1724 ( 6088 PWs) bands (ev): -61.7749 -61.7749 -34.7255 -34.7255 -26.1161 -26.1161 -26.1148 -26.1148 -6.9921 -6.9921 -6.7127 -6.7127 -6.6054 -6.6054 -6.5168 -6.5168 0.8834 0.8834 1.0012 1.0012 1.0415 1.0415 1.5204 1.5204 2.0203 2.0203 2.0874 2.0874 2.2420 2.2420 2.2693 2.2693 2.5058 2.5058 2.5213 2.5213 2.7084 2.7084 2.7982 2.7982 3.6950 3.6950 3.9001 3.9001 3.9397 3.9397 4.0309 4.0309 4.0866 4.0866 4.1464 4.1464 4.1768 4.1768 4.3941 4.3941 4.5104 4.5104 4.5305 4.5305 4.6095 4.6095 4.6797 4.6797 5.4261 5.4261 5.4758 5.4758 5.8914 5.8914 8.2667 8.2667 8.4575 8.4575 8.8837 8.8837 9.2305 9.2305 9.2654 9.2654 10.5771 10.5771 10.5830 10.5830 k = 0.5000 0.5000 0.1897 ( 6088 PWs) bands (ev): -61.7749 -61.7749 -34.7255 -34.7255 -26.1161 -26.1161 -26.1149 -26.1149 -6.9849 -6.9849 -6.7127 -6.7127 -6.6051 -6.6051 -6.5213 -6.5213 0.8838 0.8838 0.9933 0.9933 1.0347 1.0347 1.4926 1.4926 2.0259 2.0259 2.0883 2.0883 2.2495 2.2495 2.2766 2.2766 2.5096 2.5096 2.5286 2.5286 2.7109 2.7109 2.7977 2.7977 3.7046 3.7046 3.8949 3.8949 3.9440 3.9440 4.0333 4.0333 4.0806 4.0806 4.1464 4.1464 4.1785 4.1785 4.3798 4.3798 4.5024 4.5024 4.5195 4.5195 4.6012 4.6012 4.6754 4.6754 5.4617 5.4617 5.5114 5.5114 5.8992 5.8992 8.2583 8.2583 8.4528 8.4528 8.9157 8.9157 9.2310 9.2310 9.2676 9.2676 10.5434 10.5434 10.5481 10.5481 k = 0.5000 0.5000 0.2069 ( 6100 PWs) bands (ev): -61.7750 -61.7750 -34.7255 -34.7255 -26.1161 -26.1161 -26.1150 -26.1150 -6.9771 -6.9771 -6.7128 -6.7128 -6.6048 -6.6048 -6.5260 -6.5260 0.8837 0.8837 0.9855 0.9855 1.0276 1.0276 1.4648 1.4648 2.0320 2.0320 2.0893 2.0893 2.2576 2.2576 2.2843 2.2843 2.5041 2.5041 2.5442 2.5442 2.7135 2.7135 2.7969 2.7969 3.7144 3.7144 3.8898 3.8898 3.9489 3.9489 4.0351 4.0351 4.0749 4.0749 4.1465 4.1465 4.1803 4.1803 4.3654 4.3654 4.4933 4.4933 4.5084 4.5084 4.5927 4.5927 4.6699 4.6699 5.4991 5.4991 5.5484 5.5484 5.9072 5.9072 8.2520 8.2520 8.4481 8.4481 8.9467 8.9467 9.2303 9.2303 9.2683 9.2683 10.5103 10.5103 10.5137 10.5137 k = 0.5000 0.5000 0.2241 ( 6092 PWs) bands (ev): -61.7749 -61.7749 -34.7255 -34.7255 -26.1161 -26.1161 -26.1151 -26.1151 -6.9689 -6.9689 -6.7129 -6.7129 -6.6045 -6.6045 -6.5311 -6.5311 0.8832 0.8832 0.9780 0.9780 1.0203 1.0203 1.4375 1.4375 2.0384 2.0384 2.0905 2.0905 2.2663 2.2663 2.2923 2.2923 2.4974 2.4974 2.5598 2.5598 2.7164 2.7164 2.7959 2.7959 3.7244 3.7244 3.8852 3.8852 3.9544 3.9544 4.0361 4.0361 4.0700 4.0700 4.1466 4.1466 4.1824 4.1824 4.3512 4.3512 4.4826 4.4826 4.4982 4.4982 4.5839 4.5839 4.6629 4.6629 5.5378 5.5378 5.5863 5.5863 5.9155 5.9155 8.2479 8.2479 8.4433 8.4433 8.9760 8.9760 9.2280 9.2280 9.2673 9.2673 10.4785 10.4785 10.4809 10.4809 k = 0.5000 0.5000 0.2414 ( 6096 PWs) bands (ev): -61.7749 -61.7749 -34.7255 -34.7255 -26.1161 -26.1161 -26.1152 -26.1152 -6.9603 -6.9603 -6.7131 -6.7131 -6.6042 -6.6042 -6.5365 -6.5365 0.8820 0.8820 0.9709 0.9709 1.0129 1.0129 1.4107 1.4107 2.0452 2.0452 2.0921 2.0921 2.2755 2.2755 2.3007 2.3007 2.4902 2.4902 2.5745 2.5745 2.7194 2.7194 2.7945 2.7945 3.7344 3.7344 3.8814 3.8814 3.9602 3.9602 4.0362 4.0362 4.0660 4.0660 4.1463 4.1463 4.1847 4.1847 4.3374 4.3374 4.4700 4.4700 4.4893 4.4893 4.5750 4.5750 4.6544 4.6544 5.5775 5.5775 5.6248 5.6248 5.9240 5.9240 8.2461 8.2461 8.4385 8.4385 9.0031 9.0031 9.2239 9.2239 9.2644 9.2644 10.4485 10.4485 10.4501 10.4501 k = 0.5000 0.5000 0.2586 ( 6092 PWs) bands (ev): -61.7749 -61.7749 -34.7255 -34.7255 -26.1161 -26.1161 -26.1153 -26.1153 -6.9514 -6.9514 -6.7134 -6.7134 -6.6038 -6.6038 -6.5420 -6.5420 0.8801 0.8801 0.9644 0.9644 1.0055 1.0055 1.3848 1.3848 2.0522 2.0522 2.0941 2.0941 2.2849 2.2849 2.3093 2.3093 2.4826 2.4826 2.5880 2.5880 2.7226 2.7226 2.7929 2.7929 3.7438 3.7438 3.8789 3.8789 3.9664 3.9664 4.0352 4.0352 4.0634 4.0634 4.1458 4.1458 4.1872 4.1872 4.3241 4.3241 4.4563 4.4563 4.4814 4.4814 4.5660 4.5660 4.6444 4.6444 5.6176 5.6176 5.6636 5.6636 5.9326 5.9326 8.2468 8.2468 8.4338 8.4338 9.0274 9.0274 9.2179 9.2179 9.2593 9.2593 10.4205 10.4205 10.4223 10.4223 k = 0.5000 0.5000 0.2759 ( 6084 PWs) bands (ev): -61.7749 -61.7749 -34.7255 -34.7255 -26.1161 -26.1161 -26.1154 -26.1154 -6.9422 -6.9422 -6.7139 -6.7139 -6.6035 -6.6035 -6.5478 -6.5478 0.8774 0.8774 0.9586 0.9586 0.9981 0.9981 1.3599 1.3599 2.0595 2.0595 2.0966 2.0966 2.2946 2.2946 2.3181 2.3181 2.4749 2.4749 2.6001 2.6001 2.7260 2.7260 2.7910 2.7910 3.7524 3.7524 3.8780 3.8780 3.9726 3.9726 4.0330 4.0330 4.0620 4.0620 4.1447 4.1447 4.1899 4.1899 4.3117 4.3117 4.4420 4.4420 4.4742 4.4742 4.5568 4.5568 4.6329 4.6329 5.6578 5.6578 5.7022 5.7022 5.9411 5.9411 8.2498 8.2498 8.4291 8.4291 9.0481 9.0481 9.2099 9.2099 9.2520 9.2520 10.3947 10.3947 10.3974 10.3974 k = 0.5000 0.5000 0.2931 ( 6068 PWs) bands (ev): -61.7749 -61.7749 -34.7255 -34.7255 -26.1161 -26.1161 -26.1154 -26.1154 -6.9327 -6.9327 -6.7145 -6.7145 -6.6032 -6.6032 -6.5536 -6.5536 0.8740 0.8740 0.9537 0.9537 0.9909 0.9909 1.3361 1.3361 2.0670 2.0670 2.0994 2.0994 2.3044 2.3044 2.3270 2.3270 2.4671 2.4671 2.6107 2.6107 2.7296 2.7296 2.7887 2.7887 3.7598 3.7598 3.8790 3.8790 3.9790 3.9790 4.0301 4.0301 4.0618 4.0618 4.1430 4.1430 4.1929 4.1929 4.3004 4.3004 4.4276 4.4276 4.4678 4.4678 4.5476 4.5476 4.6200 4.6200 5.6976 5.6976 5.7403 5.7403 5.9496 5.9496 8.2552 8.2552 8.4245 8.4245 9.0647 9.0647 9.1998 9.1998 9.2427 9.2427 10.3703 10.3703 10.3755 10.3755 k = 0.5000 0.5000 0.3103 ( 6060 PWs) bands (ev): -61.7749 -61.7749 -34.7255 -34.7255 -26.1161 -26.1161 -26.1155 -26.1155 -6.9231 -6.9231 -6.7152 -6.7152 -6.6029 -6.6029 -6.5595 -6.5595 0.8699 0.8699 0.9497 0.9497 0.9838 0.9838 1.3136 1.3136 2.0745 2.0745 2.1027 2.1027 2.3140 2.3140 2.3358 2.3358 2.4594 2.4594 2.6198 2.6198 2.7333 2.7333 2.7862 2.7862 3.7656 3.7656 3.8823 3.8823 3.9854 3.9854 4.0268 4.0268 4.0623 4.0623 4.1403 4.1403 4.1960 4.1960 4.2904 4.2904 4.4135 4.4135 4.4619 4.4619 4.5383 4.5383 4.6058 4.6058 5.7365 5.7365 5.7773 5.7773 5.9580 5.9580 8.2628 8.2628 8.4200 8.4200 9.0767 9.0767 9.1879 9.1879 9.2314 9.2314 10.3464 10.3464 10.3571 10.3571 k = 0.5000 0.5000 0.3276 ( 6064 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1161 -26.1161 -26.1156 -26.1156 -6.9135 -6.9135 -6.7162 -6.7162 -6.6026 -6.6026 -6.5654 -6.5654 0.8654 0.8654 0.9464 0.9464 0.9771 0.9771 1.2926 1.2926 2.0821 2.0821 2.1062 2.1062 2.3234 2.3234 2.3445 2.3445 2.4518 2.4518 2.6273 2.6273 2.7370 2.7370 2.7834 2.7834 3.7696 3.7696 3.8878 3.8878 3.9916 3.9916 4.0234 4.0234 4.0633 4.0633 4.1366 4.1366 4.1991 4.1991 4.2819 4.2819 4.4000 4.4000 4.4566 4.4566 4.5291 4.5291 4.5904 4.5904 5.7741 5.7741 5.8129 5.8129 5.9661 5.9661 8.2724 8.2724 8.4157 8.4157 9.0839 9.0839 9.1743 9.1743 9.2183 9.2183 10.3247 10.3247 10.3422 10.3422 k = 0.5000 0.5000 0.3448 ( 6072 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1161 -26.1161 -26.1157 -26.1157 -6.9040 -6.9040 -6.7174 -6.7174 -6.6023 -6.6023 -6.5711 -6.5711 0.8606 0.8606 0.9439 0.9439 0.9708 0.9708 1.2731 1.2731 2.0895 2.0895 2.1099 2.1099 2.3325 2.3325 2.3527 2.3527 2.4447 2.4447 2.6334 2.6334 2.7407 2.7407 2.7805 2.7805 3.7720 3.7720 3.8953 3.8953 3.9975 3.9975 4.0202 4.0202 4.0647 4.0647 4.1319 4.1319 4.2023 4.2023 4.2749 4.2749 4.3874 4.3874 4.4520 4.4520 4.5199 4.5199 4.5740 4.5740 5.8099 5.8099 5.8465 5.8465 5.9741 5.9741 8.2837 8.2837 8.4117 8.4117 9.0866 9.0866 9.1596 9.1596 9.2037 9.2037 10.3076 10.3076 10.3305 10.3305 k = 0.5000 0.5000 0.3621 ( 6076 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1161 -26.1161 -26.1158 -26.1158 -6.8946 -6.8946 -6.7188 -6.7188 -6.6021 -6.6021 -6.5766 -6.5766 0.8557 0.8557 0.9419 0.9419 0.9649 0.9649 1.2553 1.2553 2.0968 2.0968 2.1137 2.1137 2.3410 2.3410 2.3604 2.3604 2.4382 2.4382 2.6383 2.6383 2.7444 2.7444 2.7774 2.7774 3.7731 3.7731 3.9044 3.9044 4.0027 4.0027 4.0174 4.0174 4.0664 4.0664 4.1262 4.1262 4.2056 4.2056 4.2695 4.2695 4.3760 4.3760 4.4483 4.4483 4.5108 4.5108 4.5570 4.5570 5.8435 5.8435 5.8776 5.8776 5.9819 5.9819 8.2963 8.2963 8.4078 8.4078 9.0853 9.0853 9.1442 9.1442 9.1879 9.1879 10.2960 10.2960 10.3218 10.3218 k = 0.5000 0.5000 0.3793 ( 6068 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1161 -26.1161 -26.1159 -26.1159 -6.8856 -6.8856 -6.7204 -6.7204 -6.6019 -6.6019 -6.5817 -6.5817 0.8509 0.8509 0.9404 0.9404 0.9596 0.9596 1.2393 1.2393 2.1038 2.1038 2.1175 2.1175 2.3489 2.3489 2.3671 2.3671 2.4327 2.4327 2.6420 2.6420 2.7478 2.7478 2.7744 2.7744 3.7733 3.7733 3.9146 3.9146 4.0063 4.0063 4.0161 4.0161 4.0685 4.0685 4.1197 4.1197 4.2089 4.2089 4.2652 4.2652 4.3664 4.3664 4.4454 4.4454 4.5020 4.5020 4.5396 4.5396 5.8745 5.8745 5.9055 5.9055 5.9897 5.9897 8.3099 8.3099 8.4043 8.4043 9.0809 9.0809 9.1287 9.1287 9.1711 9.1711 10.2896 10.2896 10.3157 10.3157 k = 0.5000 0.5000 0.3966 ( 6064 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1161 -26.1161 -26.1159 -26.1159 -6.8771 -6.8771 -6.7222 -6.7222 -6.6017 -6.6017 -6.5865 -6.5865 0.8465 0.8465 0.9394 0.9394 0.9548 0.9548 1.2252 1.2252 2.1103 2.1103 2.1212 2.1212 2.3561 2.3561 2.3724 2.3724 2.4285 2.4285 2.6448 2.6448 2.7509 2.7509 2.7714 2.7714 3.7729 3.7729 3.9254 3.9254 4.0065 4.0065 4.0176 4.0176 4.0708 4.0708 4.1127 4.1127 4.2123 4.2123 4.2617 4.2617 4.3587 4.3587 4.4434 4.4434 4.4935 4.4935 4.5223 4.5223 5.9023 5.9023 5.9297 5.9297 5.9977 5.9977 8.3238 8.3238 8.4010 8.4010 9.0746 9.0746 9.1138 9.1138 9.1537 9.1537 10.2876 10.2876 10.3117 10.3117 k = 0.5000 0.5000 0.4138 ( 6072 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1161 -26.1161 -26.1160 -26.1160 -6.8692 -6.8692 -6.7241 -6.7241 -6.6015 -6.6015 -6.5907 -6.5907 0.8425 0.8425 0.9387 0.9387 0.9506 0.9506 1.2130 1.2130 2.1162 2.1162 2.1245 2.1245 2.3623 2.3623 2.3760 2.3760 2.4260 2.4260 2.6468 2.6468 2.7537 2.7537 2.7685 2.7685 3.7721 3.7721 3.9364 3.9364 4.0045 4.0045 4.0205 4.0205 4.0732 4.0732 4.1056 4.1056 4.2158 4.2158 4.2583 4.2583 4.3532 4.3532 4.4424 4.4424 4.4853 4.4853 4.5054 4.5054 5.9267 5.9267 5.9493 5.9493 6.0061 6.0061 8.3376 8.3376 8.3981 8.3981 9.0675 9.0675 9.1001 9.1001 9.1363 9.1363 10.2890 10.2890 10.3093 10.3093 k = 0.5000 0.5000 0.4310 ( 6072 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1161 -26.1161 -26.1160 -26.1160 -6.8622 -6.8622 -6.7260 -6.7260 -6.6013 -6.6013 -6.5943 -6.5943 0.8391 0.8391 0.9382 0.9382 0.9470 0.9470 1.2030 1.2030 2.1214 2.1214 2.1274 2.1274 2.3676 2.3676 2.3778 2.3778 2.4251 2.4251 2.6481 2.6481 2.7560 2.7560 2.7660 2.7660 3.7713 3.7713 3.9471 3.9471 4.0016 4.0016 4.0234 4.0234 4.0757 4.0757 4.0989 4.0989 4.2196 4.2196 4.2548 4.2548 4.3501 4.3501 4.4425 4.4425 4.4776 4.4776 4.4896 4.4896 5.9472 5.9472 5.9640 5.9640 6.0150 6.0150 8.3505 8.3505 8.3954 8.3954 9.0605 9.0605 9.0884 9.0884 9.1195 9.1195 10.2924 10.2924 10.3081 10.3081 k = 0.5000 0.5000 0.4483 ( 6072 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1161 -26.1161 -26.1161 -26.1161 -6.8564 -6.8564 -6.7278 -6.7278 -6.6012 -6.6012 -6.5972 -6.5972 0.8364 0.8364 0.9380 0.9380 0.9442 0.9442 1.1951 1.1951 2.1257 2.1257 2.1298 2.1298 2.3717 2.3717 2.3783 2.3783 2.4254 2.4254 2.6490 2.6490 2.7578 2.7578 2.7639 2.7639 3.7705 3.7705 3.9574 3.9574 3.9982 3.9982 4.0256 4.0256 4.0780 4.0780 4.0928 4.0928 4.2236 4.2236 4.2509 4.2509 4.3492 4.3492 4.4436 4.4436 4.4705 4.4705 4.4756 4.4756 5.9635 5.9635 5.9741 5.9741 6.0237 6.0237 8.3619 8.3619 8.3929 8.3929 9.0545 9.0545 9.0793 9.0793 9.1041 9.1041 10.2967 10.2967 10.3075 10.3075 k = 0.5000 0.5000 0.4655 ( 6064 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1161 -26.1161 -26.1161 -26.1161 -6.8521 -6.8521 -6.7293 -6.7293 -6.6011 -6.6011 -6.5993 -6.5993 0.8344 0.8344 0.9381 0.9381 0.9419 0.9419 1.1894 1.1894 2.1289 2.1289 2.1315 2.1315 2.3748 2.3748 2.3779 2.3779 2.4263 2.4263 2.6496 2.6496 2.7591 2.7591 2.7623 2.7623 3.7699 3.7699 3.9669 3.9669 3.9940 3.9940 4.0272 4.0272 4.0799 4.0799 4.0880 4.0880 4.2279 4.2279 4.2465 4.2465 4.3496 4.3496 4.4457 4.4457 4.4638 4.4638 4.4646 4.4646 5.9753 5.9753 5.9804 5.9804 6.0310 6.0310 8.3714 8.3714 8.3905 8.3905 9.0500 9.0500 9.0737 9.0737 9.0910 9.0910 10.3007 10.3007 10.3072 10.3072 k = 0.5000 0.5000 0.4828 ( 6056 PWs) bands (ev): -61.7749 -61.7749 -34.7256 -34.7256 -26.1161 -26.1161 -26.1161 -26.1161 -6.8493 -6.8493 -6.7302 -6.7302 -6.6011 -6.6011 -6.6006 -6.6006 0.8331 0.8331 0.9384 0.9384 0.9402 0.9402 1.1859 1.1859 2.1311 2.1311 2.1323 2.1323 2.3767 2.3767 2.3775 2.3775 2.4271 2.4271 2.6499 2.6499 2.7600 2.7600 2.7612 2.7612 3.7696 3.7696 3.9754 3.9754 3.9889 3.9889 4.0282 4.0282 4.0814 4.0814 4.0847 4.0847 4.2325 4.2325 4.2419 4.2419 4.3506 4.3506 4.4487 4.4487 4.4569 4.4569 4.4584 4.4584 5.9825 5.9825 5.9838 5.9838 6.0358 6.0358 8.3787 8.3787 8.3876 8.3876 9.0472 9.0472 9.0719 9.0719 9.0808 9.0808 10.3038 10.3038 10.3067 10.3067 k = 0.5000 0.5000 0.5000 ( 6008 PWs) bands (ev): -61.7749 -61.7749 -34.7255 -34.7255 -26.1160 -26.1160 -26.1160 -26.1160 -6.8484 -6.8484 -6.7306 -6.7306 -6.6010 -6.6010 -6.6010 -6.6010 0.8327 0.8327 0.9391 0.9391 0.9391 0.9391 1.1848 1.1848 2.1323 2.1323 2.1323 2.1323 2.3775 2.3775 2.3775 2.3775 2.4275 2.4275 2.6500 2.6500 2.7606 2.7606 2.7606 2.7606 3.7695 3.7695 3.9828 3.9828 3.9828 3.9828 4.0285 4.0285 4.0828 4.0828 4.0828 4.0828 4.2372 4.2372 4.2372 4.2372 4.3511 4.3511 4.4515 4.4515 4.4546 4.4546 4.4546 4.4546 5.9850 5.9850 5.9850 5.9850 6.0375 6.0375 8.3839 8.3839 8.3839 8.3839 9.0463 9.0463 9.0744 9.0744 9.0744 9.0744 10.3057 10.3057 10.3057 10.3057 Writing output data file TaCu3S4.save init_run : 3.03s CPU 13.66s WALL ( 1 calls) electrons : 1379.12s CPU 1392.13s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.54s CPU 1.41s WALL ( 1 calls) Called by electrons: c_bands : 1379.06s CPU 1391.71s WALL ( 1 calls) v_of_rho : 0.28s CPU 0.87s WALL ( 1 calls) v_h : 0.07s CPU 0.14s WALL ( 1 calls) v_xc : 0.21s CPU 0.56s WALL ( 1 calls) newd : 0.95s CPU 1.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.12s WALL ( 222 calls) cegterg : 1306.82s CPU 1316.79s WALL ( 597 calls) Called by sum_band: Called by *egterg: h_psi : 407.41s CPU 415.88s WALL ( 10672 calls) s_psi : 84.91s CPU 85.33s WALL ( 10672 calls) g_psi : 1.07s CPU 1.06s WALL ( 9853 calls) cdiaghg : 628.89s CPU 627.62s WALL ( 10075 calls) cegterg:over : 109.49s CPU 106.82s WALL ( 9853 calls) cegterg:upda : 32.36s CPU 34.62s WALL ( 9853 calls) cegterg:last : 23.29s CPU 23.66s WALL ( 1345 calls) Called by h_psi: h_psi:vloc : 255.66s CPU 261.38s WALL ( 10672 calls) h_psi:vnl : 151.24s CPU 153.27s WALL ( 10672 calls) add_vuspsi : 62.53s CPU 66.02s WALL ( 10672 calls) General routines calbec : 88.64s CPU 87.16s WALL ( 10672 calls) fft : 0.70s CPU 1.49s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 240.69s CPU 245.40s WALL ( 1339480 calls) interpolate : 0.12s CPU 0.13s WALL ( 4 calls) davcio : 0.02s CPU 1.74s WALL ( 444 calls) Parallel routines fft_scatter : 157.23s CPU 160.27s WALL ( 1339503 calls) PWSCF : 24m 8.14s CPU 26m17.01s WALL This run was terminated on: 7:37:30 30Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=