Program PWSCF v.5.1.1 starts on 1Nov2015 at 15:18:10 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TaCu3S4.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 47 33 9 1717 993 153 Max 48 34 10 1722 1002 158 Sum 2289 1597 465 82519 47833 7441 bravais-lattice index = 14 lattice parameter (alat) = 10.4237 a.u. unit-cell volume = 1132.5810 (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)= 10.423729 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ta read from file: /home/autes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Ta 13.00 180.94790 Ta( 1.00) Cu 11.00 63.54600 Cu( 1.00) 24 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 17 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(17) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(17) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 18 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(18) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 19 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(19) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(19) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 20 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(20) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(20) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 21 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(21) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(21) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(22) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 23 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(23) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(23) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(24) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(24) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) double point group T_d (-43m) there are 8 classes and 3 irreducible representations the character table: E -E 8C3 -8C3 3C2 6s_d 6S4 -6S4 -3C2 -6s_d G_6 2.00 -2.00 1.00 -1.00 0.00 0.00 1.41 -1.41 G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.41 1.41 G_8 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2 -3C2 2 -2 3 -3 4 -4 8C3 5 7 8 6 12 9 10 11 6s_d -6s_d 13 -13 14 -14 17 -17 18 -18 21 -21 22 -22 6S4 15 16 20 19 23 24 -E -1 -8C3 -5 -7 -8 -6 -12 -9 -10 -11 -6S4 -15 -16 -20 -19 -23 -24 Cartesian axes number of k points= 225 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 2) = ( 0.0000000 0.0172414 -0.0000000), wk = 0.0044444 k( 3) = ( 0.0000000 0.0344828 -0.0000000), wk = 0.0044444 k( 4) = ( 0.0000000 0.0517241 -0.0000000), wk = 0.0044444 k( 5) = ( 0.0000000 0.0689655 -0.0000000), wk = 0.0044444 k( 6) = ( 0.0000000 0.0862069 -0.0000000), wk = 0.0044444 k( 7) = ( 0.0000000 0.1034483 -0.0000000), wk = 0.0044444 k( 8) = ( 0.0000000 0.1206897 -0.0000000), wk = 0.0044444 k( 9) = ( 0.0000000 0.1379310 -0.0000000), wk = 0.0044444 k( 10) = ( 0.0000000 0.1551724 -0.0000000), wk = 0.0044444 k( 11) = ( 0.0000000 0.1724138 -0.0000000), wk = 0.0044444 k( 12) = ( 0.0000000 0.1896552 -0.0000000), wk = 0.0044444 k( 13) = ( 0.0000000 0.2068966 -0.0000000), wk = 0.0044444 k( 14) = ( 0.0000000 0.2241379 -0.0000000), wk = 0.0044444 k( 15) = ( 0.0000000 0.2413793 -0.0000000), wk = 0.0044444 k( 16) = ( 0.0000000 0.2586207 -0.0000000), wk = 0.0044444 k( 17) = ( 0.0000000 0.2758621 -0.0000000), wk = 0.0044444 k( 18) = ( 0.0000000 0.2931034 -0.0000000), wk = 0.0044444 k( 19) = ( 0.0000000 0.3103448 -0.0000000), wk = 0.0044444 k( 20) = ( 0.0000000 0.3275862 -0.0000000), wk = 0.0044444 k( 21) = ( 0.0000000 0.3448276 -0.0000000), wk = 0.0044444 k( 22) = ( 0.0000000 0.3620690 -0.0000000), wk = 0.0044444 k( 23) = ( 0.0000000 0.3793103 -0.0000000), wk = 0.0044444 k( 24) = ( 0.0000000 0.3965517 -0.0000000), wk = 0.0044444 k( 25) = ( 0.0000000 0.4137931 -0.0000000), wk = 0.0044444 k( 26) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0044444 k( 27) = ( 0.0000000 0.4482759 -0.0000000), wk = 0.0044444 k( 28) = ( 0.0000000 0.4655172 -0.0000000), wk = 0.0044444 k( 29) = ( 0.0000000 0.4827586 -0.0000000), wk = 0.0044444 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 32) = ( 0.0172414 0.5000000 -0.0000000), wk = 0.0044444 k( 33) = ( 0.0344828 0.5000000 -0.0000000), wk = 0.0044444 k( 34) = ( 0.0517241 0.5000000 -0.0000000), wk = 0.0044444 k( 35) = ( 0.0689655 0.5000000 -0.0000000), wk = 0.0044444 k( 36) = ( 0.0862069 0.5000000 -0.0000000), wk = 0.0044444 k( 37) = ( 0.1034483 0.5000000 -0.0000000), wk = 0.0044444 k( 38) = ( 0.1206897 0.5000000 -0.0000000), wk = 0.0044444 k( 39) = ( 0.1379310 0.5000000 -0.0000000), wk = 0.0044444 k( 40) = ( 0.1551724 0.5000000 -0.0000000), wk = 0.0044444 k( 41) = ( 0.1724138 0.5000000 -0.0000000), wk = 0.0044444 k( 42) = ( 0.1896552 0.5000000 -0.0000000), wk = 0.0044444 k( 43) = ( 0.2068966 0.5000000 -0.0000000), wk = 0.0044444 k( 44) = ( 0.2241379 0.5000000 -0.0000000), wk = 0.0044444 k( 45) = ( 0.2413793 0.5000000 -0.0000000), wk = 0.0044444 k( 46) = ( 0.2586207 0.5000000 -0.0000000), wk = 0.0044444 k( 47) = ( 0.2758621 0.5000000 -0.0000000), wk = 0.0044444 k( 48) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0044444 k( 49) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0044444 k( 50) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0044444 k( 51) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0044444 k( 52) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0044444 k( 53) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0044444 k( 54) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0044444 k( 55) = ( 0.4137931 0.5000000 -0.0000000), wk = 0.0044444 k( 56) = ( 0.4310345 0.5000000 -0.0000000), wk = 0.0044444 k( 57) = ( 0.4482759 0.5000000 -0.0000000), wk = 0.0044444 k( 58) = ( 0.4655172 0.5000000 -0.0000000), wk = 0.0044444 k( 59) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0044444 k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 62) = ( 0.4878049 0.4878049 -0.0000000), wk = 0.0044444 k( 63) = ( 0.4756098 0.4756098 -0.0000000), wk = 0.0044444 k( 64) = ( 0.4634146 0.4634146 -0.0000000), wk = 0.0044444 k( 65) = ( 0.4512195 0.4512195 -0.0000000), wk = 0.0044444 k( 66) = ( 0.4390244 0.4390244 -0.0000000), wk = 0.0044444 k( 67) = ( 0.4268293 0.4268293 -0.0000000), wk = 0.0044444 k( 68) = ( 0.4146341 0.4146341 -0.0000000), wk = 0.0044444 k( 69) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0044444 k( 70) = ( 0.3902439 0.3902439 -0.0000000), wk = 0.0044444 k( 71) = ( 0.3780488 0.3780488 -0.0000000), wk = 0.0044444 k( 72) = ( 0.3658537 0.3658537 -0.0000000), wk = 0.0044444 k( 73) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0044444 k( 74) = ( 0.3414634 0.3414634 -0.0000000), wk = 0.0044444 k( 75) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0044444 k( 76) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0044444 k( 77) = ( 0.3048781 0.3048780 -0.0000000), wk = 0.0044444 k( 78) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0044444 k( 79) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0044444 k( 80) = ( 0.2682927 0.2682927 -0.0000000), wk = 0.0044444 k( 81) = ( 0.2560976 0.2560976 -0.0000000), wk = 0.0044444 k( 82) = ( 0.2439024 0.2439024 -0.0000000), wk = 0.0044444 k( 83) = ( 0.2317073 0.2317073 -0.0000000), wk = 0.0044444 k( 84) = ( 0.2195122 0.2195122 -0.0000000), wk = 0.0044444 k( 85) = ( 0.2073171 0.2073171 -0.0000000), wk = 0.0044444 k( 86) = ( 0.1951219 0.1951219 -0.0000000), wk = 0.0044444 k( 87) = ( 0.1829268 0.1829268 -0.0000000), wk = 0.0044444 k( 88) = ( 0.1707317 0.1707317 -0.0000000), wk = 0.0044444 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0044444 k( 90) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0044444 k( 91) = ( 0.1341463 0.1341463 -0.0000000), wk = 0.0044444 k( 92) = ( 0.1219512 0.1219512 -0.0000000), wk = 0.0044444 k( 93) = ( 0.1097561 0.1097561 -0.0000000), wk = 0.0044444 k( 94) = ( 0.0975610 0.0975610 -0.0000000), wk = 0.0044444 k( 95) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0044444 k( 96) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0044444 k( 97) = ( 0.0609756 0.0609756 -0.0000000), wk = 0.0044444 k( 98) = ( 0.0487805 0.0487805 -0.0000000), wk = 0.0044444 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0044444 k( 100) = ( 0.0243902 0.0243902 -0.0000000), wk = 0.0044444 k( 101) = ( 0.0121951 0.0121951 -0.0000000), wk = 0.0044444 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 104) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0044444 k( 105) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0044444 k( 106) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0044444 k( 107) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0044444 k( 108) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0044444 k( 109) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0044444 k( 110) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0044444 k( 111) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0044444 k( 112) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0044444 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0044444 k( 114) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0044444 k( 115) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0044444 k( 116) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0044444 k( 117) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0044444 k( 118) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0044444 k( 119) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0044444 k( 120) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0044444 k( 121) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0044444 k( 122) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0044444 k( 123) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0044444 k( 124) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0044444 k( 125) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0044444 k( 126) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0044444 k( 127) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0044444 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044444 k( 129) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0044444 k( 130) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0044444 k( 131) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0044444 k( 132) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0044444 k( 133) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0044444 k( 134) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0044444 k( 135) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0044444 k( 136) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0044444 k( 137) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0044444 k( 138) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0044444 k( 139) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0044444 k( 140) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0044444 k( 141) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0044444 k( 142) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0044444 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0044444 k( 144) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0044444 k( 145) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0044444 k( 146) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0044444 k( 147) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0044444 k( 148) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0044444 k( 149) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0044444 k( 150) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0044444 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0044444 k( 152) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0044444 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 155) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044444 k( 156) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044444 k( 157) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044444 k( 158) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044444 k( 159) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044444 k( 160) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044444 k( 161) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044444 k( 162) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044444 k( 163) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044444 k( 164) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044444 k( 165) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044444 k( 166) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044444 k( 167) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044444 k( 168) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044444 k( 169) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044444 k( 170) = ( 0.3048781 0.5000000 0.3048780), wk = 0.0044444 k( 171) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044444 k( 172) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044444 k( 173) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044444 k( 174) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044444 k( 175) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044444 k( 176) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044444 k( 177) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044444 k( 178) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044444 k( 179) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044444 k( 180) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044444 k( 181) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044444 k( 182) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044444 k( 183) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044444 k( 184) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044444 k( 185) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044444 k( 186) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044444 k( 187) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044444 k( 188) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044444 k( 189) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044444 k( 190) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044444 k( 191) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044444 k( 192) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044444 k( 193) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044444 k( 194) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044444 k( 195) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044444 k( 196) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044444 k( 197) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044444 k( 198) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044444 k( 199) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044444 k( 200) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044444 k( 201) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044444 k( 202) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044444 k( 203) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044444 k( 204) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044444 k( 205) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044444 k( 206) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044444 k( 207) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044444 k( 208) = ( 0.5000000 0.5000000 0.2068965), wk = 0.0044444 k( 209) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044444 k( 210) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044444 k( 211) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044444 k( 212) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044444 k( 213) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044444 k( 214) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044444 k( 215) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044444 k( 216) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044444 k( 217) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044444 k( 218) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044444 k( 219) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044444 k( 220) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044444 k( 221) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044444 k( 222) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044444 k( 223) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044444 k( 224) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044444 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 2) = ( 0.0000000 0.0172414 0.0000000), wk = 0.0044444 k( 3) = ( 0.0000000 0.0344828 0.0000000), wk = 0.0044444 k( 4) = ( 0.0000000 0.0517241 0.0000000), wk = 0.0044444 k( 5) = ( 0.0000000 0.0689655 0.0000000), wk = 0.0044444 k( 6) = ( 0.0000000 0.0862069 0.0000000), wk = 0.0044444 k( 7) = ( 0.0000000 0.1034483 0.0000000), wk = 0.0044444 k( 8) = ( 0.0000000 0.1206897 0.0000000), wk = 0.0044444 k( 9) = ( 0.0000000 0.1379310 0.0000000), wk = 0.0044444 k( 10) = ( 0.0000000 0.1551724 0.0000000), wk = 0.0044444 k( 11) = ( 0.0000000 0.1724138 0.0000000), wk = 0.0044444 k( 12) = ( 0.0000000 0.1896552 0.0000000), wk = 0.0044444 k( 13) = ( 0.0000000 0.2068966 0.0000000), wk = 0.0044444 k( 14) = ( 0.0000000 0.2241379 0.0000000), wk = 0.0044444 k( 15) = ( 0.0000000 0.2413793 0.0000000), wk = 0.0044444 k( 16) = ( 0.0000000 0.2586207 0.0000000), wk = 0.0044444 k( 17) = ( 0.0000000 0.2758621 0.0000000), wk = 0.0044444 k( 18) = ( 0.0000000 0.2931034 0.0000000), wk = 0.0044444 k( 19) = ( 0.0000000 0.3103448 0.0000000), wk = 0.0044444 k( 20) = ( 0.0000000 0.3275862 0.0000000), wk = 0.0044444 k( 21) = ( 0.0000000 0.3448276 0.0000000), wk = 0.0044444 k( 22) = ( 0.0000000 0.3620690 0.0000000), wk = 0.0044444 k( 23) = ( 0.0000000 0.3793103 0.0000000), wk = 0.0044444 k( 24) = ( 0.0000000 0.3965517 0.0000000), wk = 0.0044444 k( 25) = ( 0.0000000 0.4137931 0.0000000), wk = 0.0044444 k( 26) = ( 0.0000000 0.4310345 0.0000000), wk = 0.0044444 k( 27) = ( 0.0000000 0.4482759 0.0000000), wk = 0.0044444 k( 28) = ( 0.0000000 0.4655172 0.0000000), wk = 0.0044444 k( 29) = ( 0.0000000 0.4827586 0.0000000), wk = 0.0044444 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 32) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0044444 k( 33) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0044444 k( 34) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0044444 k( 35) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0044444 k( 36) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0044444 k( 37) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0044444 k( 38) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0044444 k( 39) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0044444 k( 40) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0044444 k( 41) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0044444 k( 42) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0044444 k( 43) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0044444 k( 44) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0044444 k( 45) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0044444 k( 46) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0044444 k( 47) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0044444 k( 48) = ( 0.2931034 0.5000000 0.0000000), wk = 0.0044444 k( 49) = ( 0.3103448 0.5000000 0.0000000), wk = 0.0044444 k( 50) = ( 0.3275862 0.5000000 0.0000000), wk = 0.0044444 k( 51) = ( 0.3448276 0.5000000 0.0000000), wk = 0.0044444 k( 52) = ( 0.3620690 0.5000000 0.0000000), wk = 0.0044444 k( 53) = ( 0.3793103 0.5000000 0.0000000), wk = 0.0044444 k( 54) = ( 0.3965517 0.5000000 0.0000000), wk = 0.0044444 k( 55) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0044444 k( 56) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0044444 k( 57) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0044444 k( 58) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0044444 k( 59) = ( 0.4827586 0.5000000 0.0000000), wk = 0.0044444 k( 60) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 61) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 62) = ( 0.4878049 0.4878049 0.0000000), wk = 0.0044444 k( 63) = ( 0.4756098 0.4756098 0.0000000), wk = 0.0044444 k( 64) = ( 0.4634146 0.4634146 0.0000000), wk = 0.0044444 k( 65) = ( 0.4512195 0.4512195 0.0000000), wk = 0.0044444 k( 66) = ( 0.4390244 0.4390244 0.0000000), wk = 0.0044444 k( 67) = ( 0.4268293 0.4268293 0.0000000), wk = 0.0044444 k( 68) = ( 0.4146341 0.4146341 0.0000000), wk = 0.0044444 k( 69) = ( 0.4024390 0.4024390 0.0000000), wk = 0.0044444 k( 70) = ( 0.3902439 0.3902439 0.0000000), wk = 0.0044444 k( 71) = ( 0.3780488 0.3780488 0.0000000), wk = 0.0044444 k( 72) = ( 0.3658537 0.3658537 0.0000000), wk = 0.0044444 k( 73) = ( 0.3536585 0.3536585 0.0000000), wk = 0.0044444 k( 74) = ( 0.3414634 0.3414634 0.0000000), wk = 0.0044444 k( 75) = ( 0.3292683 0.3292683 0.0000000), wk = 0.0044444 k( 76) = ( 0.3170732 0.3170732 0.0000000), wk = 0.0044444 k( 77) = ( 0.3048781 0.3048781 0.0000000), wk = 0.0044444 k( 78) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0044444 k( 79) = ( 0.2804878 0.2804878 0.0000000), wk = 0.0044444 k( 80) = ( 0.2682927 0.2682927 0.0000000), wk = 0.0044444 k( 81) = ( 0.2560976 0.2560976 0.0000000), wk = 0.0044444 k( 82) = ( 0.2439024 0.2439024 0.0000000), wk = 0.0044444 k( 83) = ( 0.2317073 0.2317073 0.0000000), wk = 0.0044444 k( 84) = ( 0.2195122 0.2195122 0.0000000), wk = 0.0044444 k( 85) = ( 0.2073171 0.2073171 0.0000000), wk = 0.0044444 k( 86) = ( 0.1951219 0.1951219 0.0000000), wk = 0.0044444 k( 87) = ( 0.1829268 0.1829268 0.0000000), wk = 0.0044444 k( 88) = ( 0.1707317 0.1707317 0.0000000), wk = 0.0044444 k( 89) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0044444 k( 90) = ( 0.1463415 0.1463415 0.0000000), wk = 0.0044444 k( 91) = ( 0.1341463 0.1341463 0.0000000), wk = 0.0044444 k( 92) = ( 0.1219512 0.1219512 0.0000000), wk = 0.0044444 k( 93) = ( 0.1097561 0.1097561 0.0000000), wk = 0.0044444 k( 94) = ( 0.0975610 0.0975610 0.0000000), wk = 0.0044444 k( 95) = ( 0.0853658 0.0853658 0.0000000), wk = 0.0044444 k( 96) = ( 0.0731707 0.0731707 0.0000000), wk = 0.0044444 k( 97) = ( 0.0609756 0.0609756 0.0000000), wk = 0.0044444 k( 98) = ( 0.0487805 0.0487805 0.0000000), wk = 0.0044444 k( 99) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0044444 k( 100) = ( 0.0243902 0.0243902 0.0000000), wk = 0.0044444 k( 101) = ( 0.0121951 0.0121951 0.0000000), wk = 0.0044444 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044444 k( 104) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0044444 k( 105) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0044444 k( 106) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0044444 k( 107) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0044444 k( 108) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0044444 k( 109) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0044444 k( 110) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0044444 k( 111) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0044444 k( 112) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0044444 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0044444 k( 114) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0044444 k( 115) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0044444 k( 116) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0044444 k( 117) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0044444 k( 118) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0044444 k( 119) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0044444 k( 120) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0044444 k( 121) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0044444 k( 122) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0044444 k( 123) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0044444 k( 124) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0044444 k( 125) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0044444 k( 126) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0044444 k( 127) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0044444 k( 128) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0044444 k( 129) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0044444 k( 130) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0044444 k( 131) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0044444 k( 132) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0044444 k( 133) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0044444 k( 134) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0044444 k( 135) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0044444 k( 136) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0044444 k( 137) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0044444 k( 138) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0044444 k( 139) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0044444 k( 140) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0044444 k( 141) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0044444 k( 142) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0044444 k( 143) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0044444 k( 144) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0044444 k( 145) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0044444 k( 146) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0044444 k( 147) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0044444 k( 148) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0044444 k( 149) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0044444 k( 150) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0044444 k( 151) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0044444 k( 152) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0044444 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 k( 155) = ( 0.4878049 0.5000000 0.4878049), wk = 0.0044444 k( 156) = ( 0.4756098 0.5000000 0.4756098), wk = 0.0044444 k( 157) = ( 0.4634146 0.5000000 0.4634146), wk = 0.0044444 k( 158) = ( 0.4512195 0.5000000 0.4512195), wk = 0.0044444 k( 159) = ( 0.4390244 0.5000000 0.4390244), wk = 0.0044444 k( 160) = ( 0.4268293 0.5000000 0.4268293), wk = 0.0044444 k( 161) = ( 0.4146341 0.5000000 0.4146341), wk = 0.0044444 k( 162) = ( 0.4024390 0.5000000 0.4024390), wk = 0.0044444 k( 163) = ( 0.3902439 0.5000000 0.3902439), wk = 0.0044444 k( 164) = ( 0.3780488 0.5000000 0.3780488), wk = 0.0044444 k( 165) = ( 0.3658537 0.5000000 0.3658537), wk = 0.0044444 k( 166) = ( 0.3536585 0.5000000 0.3536585), wk = 0.0044444 k( 167) = ( 0.3414634 0.5000000 0.3414634), wk = 0.0044444 k( 168) = ( 0.3292683 0.5000000 0.3292683), wk = 0.0044444 k( 169) = ( 0.3170732 0.5000000 0.3170732), wk = 0.0044444 k( 170) = ( 0.3048781 0.5000000 0.3048781), wk = 0.0044444 k( 171) = ( 0.2926829 0.5000000 0.2926829), wk = 0.0044444 k( 172) = ( 0.2804878 0.5000000 0.2804878), wk = 0.0044444 k( 173) = ( 0.2682927 0.5000000 0.2682927), wk = 0.0044444 k( 174) = ( 0.2560976 0.5000000 0.2560976), wk = 0.0044444 k( 175) = ( 0.2439024 0.5000000 0.2439024), wk = 0.0044444 k( 176) = ( 0.2317073 0.5000000 0.2317073), wk = 0.0044444 k( 177) = ( 0.2195122 0.5000000 0.2195122), wk = 0.0044444 k( 178) = ( 0.2073171 0.5000000 0.2073171), wk = 0.0044444 k( 179) = ( 0.1951219 0.5000000 0.1951219), wk = 0.0044444 k( 180) = ( 0.1829268 0.5000000 0.1829268), wk = 0.0044444 k( 181) = ( 0.1707317 0.5000000 0.1707317), wk = 0.0044444 k( 182) = ( 0.1585366 0.5000000 0.1585366), wk = 0.0044444 k( 183) = ( 0.1463415 0.5000000 0.1463415), wk = 0.0044444 k( 184) = ( 0.1341463 0.5000000 0.1341463), wk = 0.0044444 k( 185) = ( 0.1219512 0.5000000 0.1219512), wk = 0.0044444 k( 186) = ( 0.1097561 0.5000000 0.1097561), wk = 0.0044444 k( 187) = ( 0.0975610 0.5000000 0.0975610), wk = 0.0044444 k( 188) = ( 0.0853658 0.5000000 0.0853658), wk = 0.0044444 k( 189) = ( 0.0731707 0.5000000 0.0731707), wk = 0.0044444 k( 190) = ( 0.0609756 0.5000000 0.0609756), wk = 0.0044444 k( 191) = ( 0.0487805 0.5000000 0.0487805), wk = 0.0044444 k( 192) = ( 0.0365854 0.5000000 0.0365854), wk = 0.0044444 k( 193) = ( 0.0243902 0.5000000 0.0243902), wk = 0.0044444 k( 194) = ( 0.0121951 0.5000000 0.0121951), wk = 0.0044444 k( 195) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0044444 k( 196) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044444 k( 197) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0044444 k( 198) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0044444 k( 199) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0044444 k( 200) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0044444 k( 201) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0044444 k( 202) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0044444 k( 203) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0044444 k( 204) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0044444 k( 205) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0044444 k( 206) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0044444 k( 207) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0044444 k( 208) = ( 0.5000000 0.5000000 0.2068966), wk = 0.0044444 k( 209) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0044444 k( 210) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0044444 k( 211) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0044444 k( 212) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0044444 k( 213) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0044444 k( 214) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0044444 k( 215) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0044444 k( 216) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0044444 k( 217) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0044444 k( 218) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0044444 k( 219) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0044444 k( 220) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0044444 k( 221) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0044444 k( 222) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0044444 k( 223) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0044444 k( 224) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0044444 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044444 Dense grid: 82519 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 47833 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 246, 84) NL pseudopotentials 0.51 Mb ( 123, 272) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1722) G-vector shells 0.00 Mb ( 400) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.26 Mb ( 246, 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 53.5 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 64.7 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 75.6 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 85.7 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 95.7 secs Computing kpt #: 6 total cpu time spent up to now is 105.3 secs Computing kpt #: 7 total cpu time spent up to now is 113.1 secs Computing kpt #: 8 total cpu time spent up to now is 119.8 secs Computing kpt #: 9 total cpu time spent up to now is 126.1 secs Computing kpt #: 10 total cpu time spent up to now is 132.1 secs Computing kpt #: 11 total cpu time spent up to now is 137.8 secs Computing kpt #: 12 total cpu time spent up to now is 143.5 secs Computing kpt #: 13 total cpu time spent up to now is 149.7 secs Computing kpt #: 14 total cpu time spent up to now is 154.8 secs Computing kpt #: 15 total cpu time spent up to now is 159.7 secs Computing kpt #: 16 total cpu time spent up to now is 164.6 secs Computing kpt #: 17 total cpu time spent up to now is 169.4 secs Computing kpt #: 18 total cpu time spent up to now is 174.2 secs Computing kpt #: 19 total cpu time spent up to now is 178.9 secs Computing kpt #: 20 total cpu time spent up to now is 183.7 secs Computing kpt #: 21 total cpu time spent up to now is 188.6 secs Computing kpt #: 22 total cpu time spent up to now is 193.3 secs Computing kpt #: 23 total cpu time spent up to now is 198.1 secs Computing kpt #: 24 total cpu time spent up to now is 203.0 secs Computing kpt #: 25 total cpu time spent up to now is 208.8 secs Computing kpt #: 26 total cpu time spent up to now is 213.9 secs Computing kpt #: 27 total cpu time spent up to now is 218.8 secs Computing kpt #: 28 total cpu time spent up to now is 223.6 secs Computing kpt #: 29 total cpu time spent up to now is 228.3 secs Computing kpt #: 30 total cpu time spent up to now is 233.1 secs Computing kpt #: 31 total cpu time spent up to now is 237.9 secs Computing kpt #: 32 total cpu time spent up to now is 242.8 secs Computing kpt #: 33 total cpu time spent up to now is 247.7 secs Computing kpt #: 34 total cpu time spent up to now is 252.9 secs Computing kpt #: 35 total cpu time spent up to now is 257.9 secs Computing kpt #: 36 total cpu time spent up to now is 262.9 secs Computing kpt #: 37 total cpu time spent up to now is 268.1 secs Computing kpt #: 38 total cpu time spent up to now is 273.4 secs Computing kpt #: 39 total cpu time spent up to now is 278.5 secs Computing kpt #: 40 total cpu time spent up to now is 283.6 secs Computing kpt #: 41 total cpu time spent up to now is 288.5 secs Computing kpt #: 42 total cpu time spent up to now is 294.2 secs Computing kpt #: 43 total cpu time spent up to now is 299.1 secs Computing kpt #: 44 total cpu time spent up to now is 303.8 secs Computing kpt #: 45 total cpu time spent up to now is 309.5 secs Computing kpt #: 46 total cpu time spent up to now is 314.1 secs Computing kpt #: 47 total cpu time spent up to now is 318.8 secs Computing kpt #: 48 total cpu time spent up to now is 323.5 secs Computing kpt #: 49 total cpu time spent up to now is 328.1 secs Computing kpt #: 50 total cpu time spent up to now is 332.8 secs Computing kpt #: 51 total cpu time spent up to now is 337.4 secs Computing kpt #: 52 total cpu time spent up to now is 342.1 secs Computing kpt #: 53 total cpu time spent up to now is 346.6 secs Computing kpt #: 54 total cpu time spent up to now is 351.0 secs Computing kpt #: 55 total cpu time spent up to now is 355.5 secs Computing kpt #: 56 total cpu time spent up to now is 361.0 secs Computing kpt #: 57 total cpu time spent up to now is 367.5 secs Computing kpt #: 58 total cpu time spent up to now is 372.4 secs Computing kpt #: 59 total cpu time spent up to now is 378.2 secs Computing kpt #: 60 total cpu time spent up to now is 383.2 secs Computing kpt #: 61 total cpu time spent up to now is 388.1 secs Computing kpt #: 62 total cpu time spent up to now is 393.9 secs Computing kpt #: 63 total cpu time spent up to now is 398.8 secs Computing kpt #: 64 total cpu time spent up to now is 403.6 secs Computing kpt #: 65 total cpu time spent up to now is 408.4 secs Computing kpt #: 66 total cpu time spent up to now is 413.0 secs Computing kpt #: 67 total cpu time spent up to now is 417.6 secs Computing kpt #: 68 total cpu time spent up to now is 422.2 secs Computing kpt #: 69 total cpu time spent up to now is 426.8 secs Computing kpt #: 70 total cpu time spent up to now is 431.4 secs Computing kpt #: 71 total cpu time spent up to now is 436.1 secs Computing kpt #: 72 total cpu time spent up to now is 440.8 secs Computing kpt #: 73 total cpu time spent up to now is 445.5 secs Computing kpt #: 74 total cpu time spent up to now is 450.4 secs Computing kpt #: 75 total cpu time spent up to now is 455.6 secs Computing kpt #: 76 total cpu time spent up to now is 461.8 secs Computing kpt #: 77 total cpu time spent up to now is 467.1 secs Computing kpt #: 78 total cpu time spent up to now is 472.4 secs Computing kpt #: 79 total cpu time spent up to now is 477.7 secs Computing kpt #: 80 total cpu time spent up to now is 483.0 secs Computing kpt #: 81 total cpu time spent up to now is 488.3 secs Computing kpt #: 82 total cpu time spent up to now is 493.5 secs Computing kpt #: 83 total cpu time spent up to now is 498.7 secs Computing kpt #: 84 total cpu time spent up to now is 504.0 secs Computing kpt #: 85 total cpu time spent up to now is 509.1 secs Computing kpt #: 86 total cpu time spent up to now is 514.1 secs Computing kpt #: 87 total cpu time spent up to now is 520.2 secs Computing kpt #: 88 total cpu time spent up to now is 525.8 secs Computing kpt #: 89 total cpu time spent up to now is 530.7 secs Computing kpt #: 90 total cpu time spent up to now is 537.8 secs Computing kpt #: 91 total cpu time spent up to now is 546.1 secs Computing kpt #: 92 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 556.7 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 567.2 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 577.7 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 588.2 secs Computing kpt #: 96 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 599.5 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 610.2 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 620.9 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 631.5 secs Computing kpt #: 100 total cpu time spent up to now is 641.4 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 651.9 secs Computing kpt #: 102 total cpu time spent up to now is 660.5 secs Computing kpt #: 103 total cpu time spent up to now is 670.0 secs Computing kpt #: 104 total cpu time spent up to now is 679.6 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 689.7 secs Computing kpt #: 106 total cpu time spent up to now is 699.3 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 709.4 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 719.7 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 729.9 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 740.2 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 750.5 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 760.9 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 771.2 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 782.3 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 792.8 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 803.2 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 813.7 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 824.1 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 834.4 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 844.7 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 856.3 secs Computing kpt #: 122 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 866.8 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 876.9 secs Computing kpt #: 124 total cpu time spent up to now is 884.0 secs Computing kpt #: 125 total cpu time spent up to now is 891.9 secs Computing kpt #: 126 total cpu time spent up to now is 897.1 secs Computing kpt #: 127 total cpu time spent up to now is 904.0 secs Computing kpt #: 128 total cpu time spent up to now is 909.8 secs Computing kpt #: 129 total cpu time spent up to now is 916.6 secs Computing kpt #: 130 total cpu time spent up to now is 922.5 secs Computing kpt #: 131 total cpu time spent up to now is 929.4 secs Computing kpt #: 132 total cpu time spent up to now is 938.8 secs Computing kpt #: 133 total cpu time spent up to now is 943.7 secs Computing kpt #: 134 total cpu time spent up to now is 949.7 secs Computing kpt #: 135 total cpu time spent up to now is 954.6 secs Computing kpt #: 136 total cpu time spent up to now is 959.7 secs Computing kpt #: 137 total cpu time spent up to now is 965.9 secs Computing kpt #: 138 total cpu time spent up to now is 971.3 secs Computing kpt #: 139 total cpu time spent up to now is 976.2 secs Computing kpt #: 140 total cpu time spent up to now is 981.1 secs Computing kpt #: 141 total cpu time spent up to now is 985.8 secs Computing kpt #: 142 total cpu time spent up to now is 991.4 secs Computing kpt #: 143 total cpu time spent up to now is 996.2 secs Computing kpt #: 144 total cpu time spent up to now is 1000.9 secs Computing kpt #: 145 total cpu time spent up to now is 1006.5 secs Computing kpt #: 146 total cpu time spent up to now is 1011.2 secs Computing kpt #: 147 total cpu time spent up to now is 1015.9 secs Computing kpt #: 148 total cpu time spent up to now is 1020.5 secs Computing kpt #: 149 total cpu time spent up to now is 1025.2 secs Computing kpt #: 150 total cpu time spent up to now is 1029.9 secs Computing kpt #: 151 total cpu time spent up to now is 1034.5 secs Computing kpt #: 152 total cpu time spent up to now is 1039.0 secs Computing kpt #: 153 total cpu time spent up to now is 1043.5 secs Computing kpt #: 154 total cpu time spent up to now is 1048.2 secs Computing kpt #: 155 total cpu time spent up to now is 1052.9 secs Computing kpt #: 156 total cpu time spent up to now is 1057.5 secs Computing kpt #: 157 total cpu time spent up to now is 1062.3 secs Computing kpt #: 158 total cpu time spent up to now is 1067.7 secs Computing kpt #: 159 total cpu time spent up to now is 1072.8 secs Computing kpt #: 160 total cpu time spent up to now is 1077.6 secs Computing kpt #: 161 total cpu time spent up to now is 1083.0 secs Computing kpt #: 162 total cpu time spent up to now is 1087.7 secs Computing kpt #: 163 total cpu time spent up to now is 1092.4 secs Computing kpt #: 164 total cpu time spent up to now is 1097.1 secs Computing kpt #: 165 total cpu time spent up to now is 1101.6 secs Computing kpt #: 166 total cpu time spent up to now is 1106.3 secs Computing kpt #: 167 total cpu time spent up to now is 1111.0 secs Computing kpt #: 168 total cpu time spent up to now is 1115.7 secs Computing kpt #: 169 total cpu time spent up to now is 1120.3 secs Computing kpt #: 170 total cpu time spent up to now is 1125.0 secs Computing kpt #: 171 total cpu time spent up to now is 1129.7 secs Computing kpt #: 172 total cpu time spent up to now is 1134.4 secs Computing kpt #: 173 total cpu time spent up to now is 1139.1 secs Computing kpt #: 174 total cpu time spent up to now is 1143.6 secs Computing kpt #: 175 total cpu time spent up to now is 1148.3 secs Computing kpt #: 176 total cpu time spent up to now is 1153.1 secs Computing kpt #: 177 total cpu time spent up to now is 1157.7 secs Computing kpt #: 178 total cpu time spent up to now is 1162.3 secs Computing kpt #: 179 total cpu time spent up to now is 1166.8 secs Computing kpt #: 180 total cpu time spent up to now is 1171.5 secs Computing kpt #: 181 total cpu time spent up to now is 1176.2 secs Computing kpt #: 182 total cpu time spent up to now is 1181.0 secs Computing kpt #: 183 total cpu time spent up to now is 1185.6 secs Computing kpt #: 184 total cpu time spent up to now is 1191.0 secs Computing kpt #: 185 total cpu time spent up to now is 1196.2 secs Computing kpt #: 186 total cpu time spent up to now is 1201.2 secs Computing kpt #: 187 total cpu time spent up to now is 1206.2 secs Computing kpt #: 188 total cpu time spent up to now is 1211.2 secs Computing kpt #: 189 total cpu time spent up to now is 1216.2 secs Computing kpt #: 190 total cpu time spent up to now is 1221.1 secs Computing kpt #: 191 total cpu time spent up to now is 1226.1 secs Computing kpt #: 192 total cpu time spent up to now is 1231.0 secs Computing kpt #: 193 total cpu time spent up to now is 1235.9 secs Computing kpt #: 194 total cpu time spent up to now is 1240.9 secs Computing kpt #: 195 total cpu time spent up to now is 1245.8 secs Computing kpt #: 196 total cpu time spent up to now is 1250.7 secs Computing kpt #: 197 total cpu time spent up to now is 1255.8 secs Computing kpt #: 198 total cpu time spent up to now is 1260.8 secs Computing kpt #: 199 total cpu time spent up to now is 1267.5 secs Computing kpt #: 200 total cpu time spent up to now is 1272.5 secs Computing kpt #: 201 total cpu time spent up to now is 1277.4 secs Computing kpt #: 202 total cpu time spent up to now is 1282.3 secs Computing kpt #: 203 total cpu time spent up to now is 1287.3 secs Computing kpt #: 204 total cpu time spent up to now is 1292.8 secs Computing kpt #: 205 total cpu time spent up to now is 1298.0 secs Computing kpt #: 206 total cpu time spent up to now is 1303.0 secs Computing kpt #: 207 total cpu time spent up to now is 1308.0 secs Computing kpt #: 208 total cpu time spent up to now is 1313.6 secs Computing kpt #: 209 total cpu time spent up to now is 1318.8 secs Computing kpt #: 210 total cpu time spent up to now is 1323.6 secs Computing kpt #: 211 total cpu time spent up to now is 1328.6 secs Computing kpt #: 212 total cpu time spent up to now is 1334.5 secs Computing kpt #: 213 total cpu time spent up to now is 1339.4 secs Computing kpt #: 214 total cpu time spent up to now is 1344.2 secs Computing kpt #: 215 total cpu time spent up to now is 1349.0 secs Computing kpt #: 216 total cpu time spent up to now is 1353.8 secs Computing kpt #: 217 total cpu time spent up to now is 1358.6 secs Computing kpt #: 218 total cpu time spent up to now is 1363.3 secs Computing kpt #: 219 total cpu time spent up to now is 1368.4 secs Computing kpt #: 220 total cpu time spent up to now is 1373.3 secs Computing kpt #: 221 total cpu time spent up to now is 1377.9 secs Computing kpt #: 222 total cpu time spent up to now is 1382.6 secs Computing kpt #: 223 total cpu time spent up to now is 1387.2 secs Computing kpt #: 224 total cpu time spent up to now is 1391.7 secs Computing kpt #: 225 total cpu time spent up to now is 1396.3 secs ethr = 1.43E-11, avg # of iterations = 45.8 total cpu time spent up to now is 1396.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -61.7095 -61.7095 -34.6223 -34.6223 -25.9683 -25.9683 -25.9683 -25.9683 -7.1750 -7.1750 -6.1304 -6.1304 -6.0320 -6.0320 -6.0320 -6.0320 0.6950 0.6950 0.6950 0.6950 1.1581 1.1581 2.3194 2.3194 2.3194 2.3194 2.3784 2.3784 2.9842 2.9842 3.0222 3.0222 3.0222 3.0222 3.3462 3.3462 3.4788 3.4788 3.4788 3.4788 3.5904 3.5904 3.5904 3.5904 4.2348 4.2348 4.4055 4.4055 4.4055 4.4055 4.5153 4.5153 4.5153 4.5153 4.5340 4.5340 4.7929 4.7929 4.9648 4.9648 4.9648 4.9648 4.9778 4.9778 6.0327 6.0327 6.0327 6.0327 6.1392 6.1392 8.2318 8.2318 8.2476 8.2476 8.2476 8.2476 8.3536 8.3536 8.5945 8.5945 8.5945 8.5945 12.1691 12.1691 k = 0.0000 0.0172-0.0000 ( 6031 PWs) bands (ev): -61.7095 -61.7095 -34.6223 -34.6223 -25.9684 -25.9684 -25.9683 -25.9683 -7.1743 -7.1743 -6.1307 -6.1307 -6.0326 -6.0326 -6.0320 -6.0320 0.6953 0.6953 0.6965 0.6965 1.1590 1.1590 2.3186 2.3186 2.3198 2.3198 2.3781 2.3781 2.9835 2.9835 3.0207 3.0207 3.0223 3.0223 3.3449 3.3449 3.4752 3.4752 3.4794 3.4794 3.5910 3.5910 3.5943 3.5943 4.2344 4.2344 4.3975 4.3975 4.4127 4.4127 4.5102 4.5102 4.5201 4.5201 4.5338 4.5338 4.7932 4.7932 4.9614 4.9614 4.9681 4.9681 4.9778 4.9778 6.0305 6.0305 6.0319 6.0319 6.1377 6.1377 8.2281 8.2281 8.2428 8.2428 8.2511 8.2511 8.3662 8.3662 8.5897 8.5897 8.6010 8.6010 12.1691 12.1691 k = 0.0000 0.0345-0.0000 ( 6007 PWs) bands (ev): -61.7095 -61.7095 -34.6222 -34.6222 -25.9683 -25.9683 -25.9683 -25.9683 -7.1724 -7.1724 -6.1315 -6.1315 -6.0341 -6.0341 -6.0320 -6.0320 0.6973 0.6973 0.7004 0.7004 1.1617 1.1617 2.3160 2.3160 2.3208 2.3208 2.3774 2.3774 2.9813 2.9813 3.0171 3.0171 3.0217 3.0217 3.3411 3.3411 3.4671 3.4671 3.4797 3.4797 3.5927 3.5927 3.6047 3.6047 4.2333 4.2333 4.3890 4.3890 4.4189 4.4189 4.5052 4.5052 4.5245 4.5245 4.5336 4.5336 4.7943 4.7943 4.9578 4.9578 4.9711 4.9711 4.9779 4.9779 6.0241 6.0241 6.0298 6.0298 6.1335 6.1335 8.2126 8.2126 8.2453 8.2453 8.2563 8.2563 8.3974 8.3974 8.5865 8.5865 8.6097 8.6097 12.1693 12.1693 k = 0.0000 0.0517-0.0000 ( 5999 PWs) bands (ev): -61.7095 -61.7095 -34.6222 -34.6222 -25.9683 -25.9683 -25.9683 -25.9683 -7.1693 -7.1693 -6.1328 -6.1328 -6.0366 -6.0366 -6.0320 -6.0320 0.7005 0.7005 0.7068 0.7068 1.1663 1.1663 2.3113 2.3113 2.3224 2.3224 2.3767 2.3767 2.9769 2.9769 3.0120 3.0120 3.0206 3.0206 3.3343 3.3343 3.4566 3.4566 3.4801 3.4801 3.5954 3.5954 3.6195 3.6195 4.2313 4.2313 4.3803 4.3803 4.4233 4.4233 4.5002 4.5002 4.5276 4.5276 4.5341 4.5341 4.7959 4.7959 4.9539 4.9539 4.9727 4.9727 4.9791 4.9791 6.0134 6.0134 6.0263 6.0263 6.1268 6.1268 8.1930 8.1930 8.2533 8.2533 8.2645 8.2645 8.4390 8.4390 8.5846 8.5846 8.6208 8.6208 12.1692 12.1692 k = 0.0000 0.0690-0.0000 ( 5991 PWs) bands (ev): -61.7095 -61.7095 -34.6222 -34.6222 -25.9683 -25.9683 -25.9683 -25.9683 -7.1648 -7.1648 -6.1348 -6.1348 -6.0400 -6.0400 -6.0320 -6.0320 0.7051 0.7051 0.7156 0.7156 1.1728 1.1728 2.3040 2.3040 2.3247 2.3247 2.3762 2.3762 2.9697 2.9697 3.0061 3.0061 3.0190 3.0190 3.3240 3.3240 3.4457 3.4457 3.4806 3.4806 3.5990 3.5990 3.6369 3.6369 4.2286 4.2286 4.3715 4.3715 4.4255 4.4255 4.4959 4.4959 4.5281 4.5281 4.5370 4.5370 4.7979 4.7979 4.9498 4.9498 4.9725 4.9725 4.9821 4.9821 5.9983 5.9983 6.0216 6.0216 6.1180 6.1180 8.1738 8.1738 8.2648 8.2648 8.2757 8.2757 8.4872 8.4872 8.5840 8.5840 8.6348 8.6348 12.1635 12.1636 k = 0.0000 0.0862-0.0000 ( 5975 PWs) bands (ev): -61.7095 -61.7095 -34.6222 -34.6222 -25.9683 -25.9683 -25.9683 -25.9683 -7.1591 -7.1591 -6.1376 -6.1376 -6.0442 -6.0442 -6.0320 -6.0320 0.7110 0.7110 0.7269 0.7269 1.1810 1.1810 2.2940 2.2940 2.3276 2.3276 2.3766 2.3766 2.9588 2.9588 3.0005 3.0005 3.0170 3.0170 3.3099 3.3099 3.4359 3.4359 3.4813 3.4813 3.6035 3.6035 3.6561 3.6561 4.2251 4.2251 4.3629 4.3629 4.4249 4.4249 4.4925 4.4925 4.5271 4.5271 4.5412 4.5412 4.8003 4.8003 4.9454 4.9454 4.9713 4.9713 4.9862 4.9862 5.9791 5.9791 6.0156 6.0156 6.1076 6.1076 8.1562 8.1562 8.2791 8.2791 8.2899 8.2899 8.5390 8.5390 8.5855 8.5855 8.6526 8.6526 12.1383 12.1383 k = 0.0000 0.1034-0.0000 ( 5963 PWs) bands (ev): -61.7095 -61.7095 -34.6222 -34.6222 -25.9684 -25.9684 -25.9683 -25.9683 -7.1522 -7.1522 -6.1414 -6.1414 -6.0488 -6.0488 -6.0320 -6.0320 0.7181 0.7181 0.7406 0.7406 1.1912 1.1912 2.2809 2.2809 2.3310 2.3310 2.3778 2.3778 2.9441 2.9441 2.9956 2.9956 3.0146 3.0146 3.2919 3.2919 3.4277 3.4277 3.4821 3.4821 3.6085 3.6085 3.6764 3.6764 4.2208 4.2208 4.3546 4.3546 4.4213 4.4213 4.4904 4.4904 4.5255 4.5255 4.5458 4.5458 4.8028 4.8028 4.9407 4.9407 4.9695 4.9695 4.9909 4.9909 5.9558 5.9558 6.0086 6.0086 6.0960 6.0960 8.1403 8.1403 8.2955 8.2955 8.3072 8.3072 8.5775 8.5775 8.6026 8.6026 8.6770 8.6770 12.1040 12.1040 k = 0.0000 0.1207-0.0000 ( 5975 PWs) bands (ev): -61.7095 -61.7095 -34.6222 -34.6222 -25.9685 -25.9685 -25.9683 -25.9683 -7.1441 -7.1441 -6.1462 -6.1462 -6.0537 -6.0537 -6.0321 -6.0321 0.7264 0.7264 0.7566 0.7566 1.2031 1.2031 2.2650 2.2650 2.3350 2.3350 2.3799 2.3799 2.9259 2.9259 2.9913 2.9913 3.0119 3.0119 3.2700 3.2700 3.4211 3.4211 3.4830 3.4830 3.6141 3.6141 3.6975 3.6975 4.2157 4.2157 4.3467 4.3467 4.4148 4.4148 4.4892 4.4892 4.5238 4.5238 4.5504 4.5504 4.8054 4.8054 4.9358 4.9358 4.9675 4.9675 4.9958 4.9958 5.9291 5.9291 6.0006 6.0006 6.0835 6.0835 8.1260 8.1260 8.3133 8.3133 8.3276 8.3276 8.5839 8.5839 8.6463 8.6463 8.7150 8.7150 12.0661 12.0661 k = 0.0000 0.1379-0.0000 ( 5967 PWs) bands (ev): -61.7095 -61.7095 -34.6222 -34.6222 -25.9686 -25.9686 -25.9683 -25.9683 -7.1349 -7.1349 -6.1524 -6.1524 -6.0587 -6.0587 -6.0321 -6.0321 0.7359 0.7359 0.7749 0.7749 1.2169 1.2169 2.2463 2.2463 2.3396 2.3396 2.3829 2.3829 2.9048 2.9048 2.9872 2.9872 3.0088 3.0088 3.2448 3.2448 3.4158 3.4158 3.4842 3.4842 3.6201 3.6201 3.7193 3.7193 4.2100 4.2100 4.3392 4.3392 4.4062 4.4062 4.4886 4.4886 4.5221 4.5221 4.5549 4.5549 4.8080 4.8080 4.9308 4.9308 4.9653 4.9653 5.0012 5.0012 5.8993 5.8993 5.9918 5.9918 6.0704 6.0704 8.1130 8.1130 8.3321 8.3321 8.3507 8.3507 8.5878 8.5878 8.6809 8.6809 8.7725 8.7725 12.0263 12.0263 k = 0.0000 0.1552-0.0000 ( 5975 PWs) bands (ev): -61.7095 -61.7095 -34.6222 -34.6222 -25.9687 -25.9687 -25.9683 -25.9683 -7.1245 -7.1245 -6.1602 -6.1602 -6.0634 -6.0634 -6.0321 -6.0321 0.7464 0.7464 0.7954 0.7954 1.2326 1.2326 2.2251 2.2251 2.3446 2.3446 2.3866 2.3866 2.8812 2.8812 2.9831 2.9831 3.0053 3.0053 3.2165 3.2165 3.4116 3.4116 3.4854 3.4854 3.6264 3.6264 3.7416 3.7416 4.2036 4.2036 4.3321 4.3321 4.3961 4.3961 4.4879 4.4879 4.5206 4.5206 4.5590 4.5590 4.8106 4.8106 4.9259 4.9259 4.9631 4.9631 5.0067 5.0067 5.8670 5.8670 5.9824 5.9824 6.0567 6.0567 8.1013 8.1013 8.3514 8.3514 8.3760 8.3760 8.5926 8.5926 8.7091 8.7091 8.8428 8.8428 11.9856 11.9856 k = 0.0000 0.1724-0.0000 ( 5963 PWs) bands (ev): -61.7094 -61.7094 -34.6222 -34.6222 -25.9688 -25.9688 -25.9682 -25.9682 -7.1130 -7.1130 -6.1696 -6.1696 -6.0677 -6.0677 -6.0322 -6.0322 0.7580 0.7580 0.8180 0.8180 1.2501 1.2501 2.2016 2.2016 2.3501 2.3501 2.3910 2.3910 2.8557 2.8557 2.9792 2.9792 3.0017 3.0017 3.1856 3.1856 3.4082 3.4082 3.4869 3.4869 3.6328 3.6328 3.7644 3.7644 4.1968 4.1968 4.3255 4.3255 4.3850 4.3850 4.4868 4.4868 4.5191 4.5191 4.5626 4.5626 4.8132 4.8132 4.9210 4.9210 4.9612 4.9612 5.0124 5.0124 5.8329 5.8329 5.9726 5.9726 6.0427 6.0427 8.0905 8.0905 8.3708 8.3708 8.4033 8.4033 8.5989 8.5989 8.7357 8.7357 8.9200 8.9200 11.9448 11.9448 k = 0.0000 0.1897-0.0000 ( 5971 PWs) bands (ev): -61.7095 -61.7095 -34.6222 -34.6222 -25.9689 -25.9689 -25.9683 -25.9683 -7.1005 -7.1005 -6.1807 -6.1807 -6.0715 -6.0715 -6.0322 -6.0322 0.7705 0.7705 0.8425 0.8425 1.2695 1.2695 2.1760 2.1760 2.3560 2.3560 2.3958 2.3958 2.8286 2.8286 2.9750 2.9750 2.9977 2.9977 3.1522 3.1522 3.4052 3.4052 3.4884 3.4884 3.6393 3.6393 3.7876 3.7876 4.1896 4.1896 4.3193 4.3193 4.3733 4.3733 4.4850 4.4850 4.5177 4.5177 4.5653 4.5653 4.8158 4.8158 4.9164 4.9164 4.9595 4.9595 5.0182 5.0182 5.7974 5.7974 5.9623 5.9623 6.0285 6.0285 8.0805 8.0805 8.3896 8.3896 8.4319 8.4319 8.6069 8.6069 8.7623 8.7623 9.0019 9.0019 11.9046 11.9046 k = 0.0000 0.2069-0.0000 ( 5975 PWs) bands (ev): -61.7095 -61.7095 -34.6223 -34.6223 -25.9690 -25.9690 -25.9682 -25.9682 -7.0870 -7.0870 -6.1934 -6.1934 -6.0748 -6.0748 -6.0322 -6.0322 0.7838 0.7838 0.8688 0.8688 1.2908 1.2908 2.1483 2.1483 2.3622 2.3622 2.4011 2.4011 2.8001 2.8001 2.9708 2.9708 2.9936 2.9936 3.1166 3.1166 3.4027 3.4027 3.4900 3.4900 3.6457 3.6457 3.8111 3.8111 4.1823 4.1823 4.3133 4.3133 4.3614 4.3614 4.4825 4.4825 4.5165 4.5165 4.5669 4.5669 4.8185 4.8185 4.9120 4.9120 4.9584 4.9584 5.0240 5.0240 5.7609 5.7609 5.9519 5.9519 6.0142 6.0142 8.0712 8.0712 8.4075 8.4075 8.4616 8.4616 8.6169 8.6169 8.7892 8.7892 9.0872 9.0872 11.8655 11.8655 k = 0.0000 0.2241-0.0000 ( 5971 PWs) bands (ev): -61.7095 -61.7095 -34.6223 -34.6223 -25.9691 -25.9691 -25.9682 -25.9682 -7.0726 -7.0726 -6.2076 -6.2076 -6.0775 -6.0775 -6.0323 -6.0323 0.7978 0.7978 0.8969 0.8969 1.3138 1.3138 2.1190 2.1190 2.3686 2.3686 2.4067 2.4067 2.7707 2.7707 2.9665 2.9665 2.9893 2.9893 3.0791 3.0791 3.4004 3.4004 3.4918 3.4918 3.6521 3.6521 3.8350 3.8350 4.1749 4.1749 4.3075 4.3075 4.3495 4.3495 4.4791 4.4791 4.5153 4.5153 4.5675 4.5675 4.8212 4.8212 4.9080 4.9080 4.9579 4.9579 5.0298 5.0298 5.7240 5.7240 5.9415 5.9415 6.0000 6.0000 8.0625 8.0625 8.4240 8.4240 8.4919 8.4919 8.6290 8.6290 8.8164 8.8164 9.1752 9.1752 11.8279 11.8279 k = 0.0000 0.2414-0.0000 ( 5971 PWs) bands (ev): -61.7095 -61.7095 -34.6223 -34.6223 -25.9692 -25.9692 -25.9682 -25.9682 -7.0574 -7.0574 -6.2233 -6.2233 -6.0797 -6.0797 -6.0323 -6.0323 0.8124 0.8124 0.9266 0.9266 1.3386 1.3386 2.0880 2.0880 2.3753 2.3753 2.4125 2.4125 2.7406 2.7406 2.9621 2.9621 2.9848 2.9848 3.0399 3.0399 3.3982 3.3982 3.4936 3.4936 3.6583 3.6583 3.8592 3.8592 4.1676 4.1676 4.3019 4.3019 4.3378 4.3378 4.4749 4.4749 4.5142 4.5142 4.5666 4.5666 4.8239 4.8239 4.9043 4.9043 4.9585 4.9585 5.0354 5.0354 5.6871 5.6871 5.9311 5.9311 5.9860 5.9860 8.0542 8.0542 8.4387 8.4387 8.5224 8.5224 8.6433 8.6433 8.8438 8.8438 9.2652 9.2652 11.7921 11.7921 k = 0.0000 0.2586-0.0000 ( 5970 PWs) bands (ev): -61.7095 -61.7095 -34.6223 -34.6223 -25.9693 -25.9693 -25.9682 -25.9682 -7.0414 -7.0414 -6.2401 -6.2401 -6.0815 -6.0815 -6.0323 -6.0323 0.8275 0.8275 0.9578 0.9578 1.3650 1.3650 2.0557 2.0557 2.3822 2.3822 2.4185 2.4185 2.7102 2.7102 2.9575 2.9575 2.9793 2.9793 3.0002 3.0002 3.3962 3.3962 3.4956 3.4956 3.6643 3.6643 3.8835 3.8835 4.1605 4.1605 4.2964 4.2964 4.3265 4.3265 4.4701 4.4701 4.5132 4.5132 4.5643 4.5643 4.8266 4.8266 4.9009 4.9009 4.9602 4.9602 5.0409 5.0409 5.6503 5.6503 5.9208 5.9208 5.9722 5.9722 8.0463 8.0463 8.4517 8.4517 8.5528 8.5528 8.6594 8.6594 8.8711 8.8711 9.3566 9.3566 11.7584 11.7584 k = 0.0000 0.2759-0.0000 ( 5958 PWs) bands (ev): -61.7094 -61.7094 -34.6223 -34.6223 -25.9694 -25.9694 -25.9682 -25.9682 -7.0248 -7.0248 -6.2578 -6.2578 -6.0829 -6.0829 -6.0324 -6.0324 0.8429 0.8429 0.9903 0.9903 1.3930 1.3930 2.0222 2.0222 2.3890 2.3890 2.4245 2.4245 2.6798 2.6798 2.9484 2.9484 2.9586 2.9586 2.9786 2.9786 3.3944 3.3944 3.4975 3.4975 3.6701 3.6701 3.9081 3.9081 4.1538 4.1538 4.2908 4.2908 4.3158 4.3158 4.4646 4.4646 4.5121 4.5121 4.5606 4.5606 4.8292 4.8292 4.8978 4.8978 4.9634 4.9634 5.0464 5.0464 5.6141 5.6141 5.9108 5.9108 5.9589 5.9589 8.0389 8.0389 8.4629 8.4629 8.5827 8.5827 8.6769 8.6769 8.8979 8.8979 9.4487 9.4487 11.7269 11.7269 k = 0.0000 0.2931-0.0000 ( 5950 PWs) bands (ev): -61.7094 -61.7094 -34.6223 -34.6223 -25.9695 -25.9695 -25.9682 -25.9682 -7.0076 -7.0076 -6.2764 -6.2764 -6.0841 -6.0841 -6.0324 -6.0324 0.8585 0.8585 1.0240 1.0240 1.4224 1.4224 1.9877 1.9877 2.3959 2.3959 2.4306 2.4306 2.6497 2.6497 2.9097 2.9097 2.9504 2.9504 2.9734 2.9734 3.3926 3.3926 3.4995 3.4995 3.6755 3.6755 3.9327 3.9327 4.1474 4.1474 4.2850 4.2850 4.3058 4.3058 4.4586 4.4586 4.5110 4.5110 4.5553 4.5553 4.8317 4.8317 4.8950 4.8950 4.9681 4.9681 5.0515 5.0515 5.5787 5.5787 5.9013 5.9013 5.9463 5.9463 8.0318 8.0318 8.4725 8.4725 8.6118 8.6118 8.6954 8.6954 8.9241 8.9241 9.5410 9.5410 11.6978 11.6978 k = 0.0000 0.3103-0.0000 ( 5942 PWs) bands (ev): -61.7094 -61.7094 -34.6223 -34.6223 -25.9696 -25.9696 -25.9682 -25.9682 -6.9900 -6.9900 -6.2955 -6.2955 -6.0850 -6.0850 -6.0324 -6.0324 0.8740 0.8740 1.0587 1.0587 1.4529 1.4529 1.9524 1.9524 2.4027 2.4027 2.4365 2.4365 2.6202 2.6202 2.8655 2.8655 2.9460 2.9460 2.9690 2.9690 3.3909 3.3909 3.5015 3.5015 3.6807 3.6807 3.9573 3.9573 4.1414 4.1414 4.2790 4.2790 4.2968 4.2968 4.4522 4.4522 4.5099 4.5099 4.5487 4.5487 4.8339 4.8339 4.8924 4.8924 4.9742 4.9742 5.0565 5.0565 5.5443 5.5443 5.8922 5.8922 5.9343 5.9343 8.0251 8.0251 8.4808 8.4808 8.6397 8.6397 8.7144 8.7144 8.9494 8.9494 9.6326 9.6326 11.6712 11.6712 k = 0.0000 0.3276-0.0000 ( 5942 PWs) bands (ev): -61.7094 -61.7094 -34.6223 -34.6223 -25.9697 -25.9697 -25.9682 -25.9682 -6.9722 -6.9722 -6.3149 -6.3149 -6.0858 -6.0858 -6.0325 -6.0325 0.8893 0.8893 1.0943 1.0943 1.4841 1.4841 1.9167 1.9167 2.4093 2.4093 2.4422 2.4422 2.5917 2.5917 2.8206 2.8206 2.9420 2.9420 2.9649 2.9649 3.3893 3.3893 3.5035 3.5035 3.6854 3.6854 3.9818 3.9818 4.1359 4.1359 4.2725 4.2725 4.2888 4.2888 4.4455 4.4455 4.5087 4.5087 4.5408 4.5408 4.8360 4.8360 4.8899 4.8899 4.9819 4.9819 5.0613 5.0613 5.5109 5.5109 5.8836 5.8836 5.9230 5.9230 8.0188 8.0188 8.4880 8.4880 8.6662 8.6662 8.7332 8.7332 8.9734 8.9734 9.7229 9.7229 11.6470 11.6470 k = 0.0000 0.3448-0.0000 ( 5958 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9698 -25.9698 -25.9682 -25.9682 -6.9543 -6.9543 -6.3344 -6.3344 -6.0864 -6.0864 -6.0325 -6.0325 0.9041 0.9041 1.1306 1.1306 1.5156 1.5156 1.8808 1.8808 2.4155 2.4155 2.4475 2.4475 2.5645 2.5645 2.7755 2.7755 2.9381 2.9381 2.9611 2.9611 3.3877 3.3877 3.5054 3.5054 3.6898 3.6898 4.0060 4.0060 4.1310 4.1310 4.2656 4.2656 4.2819 4.2819 4.4387 4.4387 4.5075 4.5075 4.5318 4.5318 4.8377 4.8377 4.8876 4.8876 4.9907 4.9907 5.0661 5.0661 5.4790 5.4790 5.8755 5.8755 5.9126 5.9126 8.0130 8.0130 8.4942 8.4942 8.6910 8.6910 8.7513 8.7513 8.9959 8.9959 9.8110 9.8110 11.6252 11.6252 k = 0.0000 0.3621-0.0000 ( 5954 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9699 -25.9699 -25.9682 -25.9682 -6.9366 -6.9366 -6.3536 -6.3536 -6.0869 -6.0869 -6.0325 -6.0325 0.9183 0.9183 1.1675 1.1675 1.5464 1.5464 1.8455 1.8455 2.4215 2.4215 2.4525 2.4525 2.5390 2.5390 2.7310 2.7310 2.9346 2.9346 2.9575 2.9575 3.3863 3.3863 3.5072 3.5072 3.6938 3.6938 4.0298 4.0298 4.1267 4.1267 4.2585 4.2585 4.2760 4.2760 4.4318 4.4318 4.5064 4.5064 4.5221 4.5221 4.8393 4.8393 4.8854 4.8854 5.0004 5.0004 5.0709 5.0709 5.4485 5.4485 5.8682 5.8682 5.9032 5.9032 8.0076 8.0076 8.4997 8.4997 8.7138 8.7138 8.7685 8.7685 9.0167 9.0167 9.8958 9.8958 11.6058 11.6058 k = 0.0000 0.3793-0.0000 ( 5966 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9700 -25.9700 -25.9682 -25.9682 -6.9194 -6.9194 -6.3723 -6.3723 -6.0873 -6.0873 -6.0325 -6.0325 0.9316 0.9316 1.2049 1.2049 1.5753 1.5753 1.8116 1.8116 2.4270 2.4270 2.4569 2.4569 2.5155 2.5155 2.6878 2.6878 2.9313 2.9313 2.9542 2.9542 3.3850 3.3850 3.5089 3.5089 3.6973 3.6973 4.0528 4.0528 4.1230 4.1230 4.2514 4.2514 4.2710 4.2710 4.4250 4.4250 4.5049 4.5049 4.5123 4.5123 4.8406 4.8406 4.8834 4.8834 5.0104 5.0104 5.0758 5.0758 5.4197 5.4197 5.8615 5.8615 5.8947 5.8947 8.0027 8.0027 8.5044 8.5044 8.7345 8.7345 8.7843 8.7843 9.0356 9.0356 9.9763 9.9763 11.5888 11.5888 k = 0.0000 0.3966-0.0000 ( 5962 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9701 -25.9701 -25.9682 -25.9682 -6.9030 -6.9030 -6.3901 -6.3901 -6.0876 -6.0876 -6.0326 -6.0326 0.9437 0.9437 1.2425 1.2425 1.5995 1.5995 1.7813 1.7813 2.4319 2.4319 2.4607 2.4607 2.4944 2.4944 2.6466 2.6466 2.9283 2.9283 2.9513 2.9513 3.3839 3.3839 3.5104 3.5104 3.7005 3.7005 4.0747 4.0747 4.1204 4.1204 4.2442 4.2442 4.2667 4.2667 4.4183 4.4183 4.5000 4.5000 4.5061 4.5061 4.8418 4.8418 4.8816 4.8816 5.0205 5.0205 5.0811 5.0811 5.3928 5.3928 5.8557 5.8557 5.8873 5.8873 7.9984 7.9984 8.5085 8.5085 8.7529 8.7529 8.7985 8.7985 9.0524 9.0524 10.0512 10.0512 11.5740 11.5740 k = 0.0000 0.4138-0.0000 ( 5962 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9701 -25.9701 -25.9682 -25.9682 -6.8878 -6.8878 -6.4065 -6.4065 -6.0878 -6.0878 -6.0326 -6.0326 0.9545 0.9545 1.2802 1.2802 1.6143 1.6143 1.7587 1.7587 2.4361 2.4361 2.4635 2.4635 2.4762 2.4762 2.6088 2.6088 2.9258 2.9258 2.9487 2.9487 3.3829 3.3829 3.5118 3.5118 3.7032 3.7032 4.0939 4.0939 4.1201 4.1201 4.2371 4.2371 4.2630 4.2630 4.4118 4.4118 4.4908 4.4908 4.5046 4.5046 4.8428 4.8428 4.8801 4.8801 5.0297 5.0297 5.0870 5.0870 5.3681 5.3681 5.8507 5.8507 5.8810 5.8810 7.9946 7.9946 8.5119 8.5119 8.7687 8.7687 8.8108 8.8108 9.0669 9.0669 10.1190 10.1190 11.5615 11.5615 k = 0.0000 0.4310-0.0000 ( 5966 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9702 -25.9702 -25.9682 -25.9682 -6.8742 -6.8742 -6.4211 -6.4211 -6.0880 -6.0880 -6.0326 -6.0326 0.9637 0.9637 1.3176 1.3176 1.6134 1.6134 1.7495 1.7495 2.4394 2.4394 2.4599 2.4599 2.4664 2.4664 2.5755 2.5755 2.9236 2.9236 2.9466 2.9466 3.3820 3.3820 3.5129 3.5129 3.7054 3.7054 4.1050 4.1050 4.1271 4.1271 4.2299 4.2299 4.2600 4.2600 4.4058 4.4058 4.4820 4.4820 4.5038 4.5038 4.8436 4.8436 4.8788 4.8788 5.0376 5.0376 5.0936 5.0936 5.3460 5.3460 5.8465 5.8465 5.8758 5.8758 7.9915 7.9915 8.5147 8.5147 8.7819 8.7819 8.8211 8.8211 9.0789 9.0789 10.1780 10.1780 11.5511 11.5511 k = 0.0000 0.4483-0.0000 ( 5958 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9702 -25.9702 -25.9682 -25.9682 -6.8628 -6.8628 -6.4333 -6.4333 -6.0881 -6.0881 -6.0326 -6.0326 0.9710 0.9710 1.3542 1.3542 1.5966 1.5966 1.7532 1.7532 2.4407 2.4407 2.4496 2.4496 2.4664 2.4664 2.5483 2.5483 2.9219 2.9219 2.9449 2.9449 3.3814 3.3814 3.5139 3.5139 3.7071 3.7071 4.1070 4.1070 4.1421 4.1421 4.2224 4.2224 4.2576 4.2576 4.4004 4.4004 4.4746 4.4746 4.5033 4.5033 4.8443 4.8443 4.8778 4.8778 5.0438 5.0438 5.1004 5.1004 5.3272 5.3272 5.8432 5.8432 5.8718 5.8718 7.9891 7.9891 8.5170 8.5170 8.7923 8.7923 8.8292 8.8292 9.0884 9.0884 10.2265 10.2265 11.5430 11.5430 k = 0.0000 0.4655-0.0000 ( 5950 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9702 -25.9702 -25.9682 -25.9682 -6.8542 -6.8542 -6.4425 -6.4425 -6.0882 -6.0882 -6.0326 -6.0326 0.9764 0.9764 1.3885 1.3885 1.5716 1.5716 1.7620 1.7620 2.4363 2.4363 2.4470 2.4470 2.4652 2.4652 2.5289 2.5289 2.9207 2.9207 2.9437 2.9437 3.3809 3.3809 3.5146 3.5146 3.7084 3.7084 4.1068 4.1068 4.1576 4.1576 4.2146 4.2146 4.2560 4.2560 4.3962 4.3962 4.4690 4.4690 4.5029 4.5029 4.8449 4.8449 4.8771 4.8771 5.0480 5.0480 5.1068 5.1068 5.3125 5.3125 5.8408 5.8408 5.8689 5.8689 7.9873 7.9873 8.5185 8.5185 8.7998 8.7998 8.8350 8.8350 9.0953 9.0953 10.2628 10.2628 11.5371 11.5371 k = 0.0000 0.4828-0.0000 ( 5938 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9702 -25.9702 -25.9682 -25.9682 -6.8488 -6.8488 -6.4483 -6.4483 -6.0883 -6.0883 -6.0326 -6.0326 0.9797 0.9797 1.4169 1.4169 1.5472 1.5472 1.7695 1.7695 2.4316 2.4316 2.4476 2.4476 2.4633 2.4633 2.5179 2.5179 2.9200 2.9200 2.9429 2.9429 3.3806 3.3806 3.5150 3.5150 3.7092 3.7092 4.1064 4.1064 4.1705 4.1705 4.2069 4.2069 4.2550 4.2550 4.3933 4.3933 4.4655 4.4655 4.5028 4.5028 4.8452 4.8452 4.8767 4.8767 5.0505 5.0505 5.1114 5.1114 5.3030 5.3030 5.8393 5.8393 5.8671 5.8671 7.9863 7.9863 8.5195 8.5195 8.8044 8.8044 8.8386 8.8386 9.0994 9.0994 10.2853 10.2853 11.5335 11.5335 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9702 -25.9702 -25.9682 -25.9682 -6.8470 -6.8470 -6.4502 -6.4502 -6.0883 -6.0883 -6.0326 -6.0326 0.9808 0.9808 1.4295 1.4295 1.5358 1.5358 1.7722 1.7722 2.4299 2.4299 2.4479 2.4479 2.4623 2.4623 2.5145 2.5145 2.9198 2.9198 2.9427 2.9427 3.3805 3.3805 3.5151 3.5151 3.7094 3.7094 4.1062 4.1062 4.1764 4.1764 4.2028 4.2028 4.2547 4.2547 4.3923 4.3923 4.4643 4.4643 4.5027 4.5027 4.8453 4.8453 4.8766 4.8766 5.0513 5.0513 5.1130 5.1130 5.2997 5.2997 5.8388 5.8388 5.8666 5.8666 7.9859 7.9859 8.5198 8.5198 8.8059 8.8059 8.8398 8.8398 9.1008 9.1008 10.2929 10.2929 11.5322 11.5322 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9702 -25.9702 -25.9682 -25.9682 -6.8470 -6.8470 -6.4502 -6.4502 -6.0883 -6.0883 -6.0326 -6.0326 0.9808 0.9808 1.4295 1.4295 1.5358 1.5358 1.7722 1.7722 2.4299 2.4299 2.4479 2.4479 2.4623 2.4623 2.5145 2.5145 2.9198 2.9198 2.9427 2.9427 3.3805 3.3805 3.5151 3.5151 3.7094 3.7094 4.1062 4.1062 4.1764 4.1764 4.2028 4.2028 4.2547 4.2547 4.3923 4.3923 4.4643 4.4643 4.5027 4.5027 4.8453 4.8453 4.8766 4.8766 5.0513 5.0513 5.1130 5.1130 5.2997 5.2997 5.8388 5.8388 5.8666 5.8666 7.9859 7.9859 8.5198 8.5198 8.8059 8.8059 8.8398 8.8398 9.1008 9.1008 10.2929 10.2929 11.5322 11.5322 k = 0.0172 0.5000-0.0000 ( 5942 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9702 -25.9702 -25.9682 -25.9682 -6.8465 -6.8464 -6.4511 -6.4488 -6.0901 -6.0872 -6.0330 -6.0330 0.9810 0.9822 1.4293 1.4299 1.5354 1.5359 1.7714 1.7735 2.4293 2.4302 2.4472 2.4484 2.4605 2.4639 2.5110 2.5180 2.9193 2.9194 2.9422 2.9425 3.3748 3.3840 3.5127 3.5148 3.7098 3.7106 4.1052 4.1062 4.1755 4.1764 4.1954 4.2091 4.2465 4.2667 4.3912 4.3932 4.4617 4.4672 4.4961 4.5132 4.8395 4.8474 4.8672 4.8851 5.0448 5.0601 5.1108 5.1168 5.2949 5.3057 5.8346 5.8412 5.8646 5.8666 7.9833 7.9914 8.5172 8.5255 8.7963 8.8143 8.8353 8.8424 9.0904 9.1131 10.2940 10.2946 11.5319 11.5348 k = 0.0345 0.5000-0.0000 ( 5946 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9702 -25.9702 -25.9682 -25.9682 -6.8449 -6.8449 -6.4515 -6.4470 -6.0925 -6.0870 -6.0342 -6.0341 0.9827 0.9851 1.4294 1.4307 1.5346 1.5358 1.7709 1.7751 2.4281 2.4303 2.4463 2.4487 2.4588 2.4653 2.5078 2.5216 2.9181 2.9181 2.9409 2.9418 3.3668 3.3852 3.5077 3.5117 3.7116 3.7131 4.1032 4.1053 4.1730 4.1753 4.1895 4.2113 4.2446 4.2805 4.3905 4.3935 4.4600 4.4675 4.4961 4.5262 4.8280 4.8471 4.8604 4.8899 5.0419 5.0690 5.1105 5.1225 5.2911 5.3129 5.8285 5.8415 5.8608 5.8648 7.9835 7.9996 8.5174 8.5342 8.7864 8.8186 8.8317 8.8428 9.0822 9.1271 10.2979 10.2990 11.5337 11.5395 k = 0.0517 0.5000-0.0000 ( 5952 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9702 -25.9702 -25.9683 -25.9683 -6.8424 -6.8423 -6.4515 -6.4446 -6.0957 -6.0874 -6.0360 -6.0359 0.9859 0.9894 1.4298 1.4316 1.5336 1.5353 1.7708 1.7770 2.4261 2.4303 2.4452 2.4485 2.4573 2.4665 2.5049 2.5253 2.9157 2.9161 2.9389 2.9407 3.3567 3.3843 3.5002 3.5059 3.7148 3.7170 4.1003 4.1035 4.1688 4.1733 4.1864 4.2096 4.2485 4.2949 4.3910 4.3937 4.4595 4.4642 4.5035 4.5412 4.8118 4.8447 4.8564 4.8902 5.0417 5.0757 5.1132 5.1313 5.2885 5.3214 5.8207 5.8399 5.8550 5.8613 7.9866 8.0107 8.5200 8.5458 8.7770 8.8139 8.8336 8.8409 9.0765 9.1423 10.3045 10.3063 11.5375 11.5463 k = 0.0690 0.5000-0.0000 ( 5956 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9703 -25.9703 -25.9683 -25.9683 -6.8388 -6.8387 -6.4509 -6.4418 -6.0996 -6.0887 -6.0385 -6.0385 0.9906 0.9953 1.4303 1.4328 1.5324 1.5346 1.7712 1.7795 2.4231 2.4303 2.4437 2.4478 2.4565 2.4676 2.5023 2.5289 2.9119 2.9133 2.9363 2.9394 3.3444 3.3813 3.4907 3.4973 3.7192 3.7220 4.0967 4.1010 4.1640 4.1704 4.1855 4.2070 4.2544 4.3085 4.3930 4.3946 4.4597 4.4600 4.5156 4.5580 4.7934 4.8397 4.8537 4.8874 5.0417 5.0789 5.1205 5.1432 5.2870 5.3312 5.8115 5.8363 5.8475 5.8564 7.9926 8.0244 8.5246 8.5601 8.7687 8.8045 8.8370 8.8370 9.0734 9.1584 10.3140 10.3162 11.5429 11.5547 k = 0.0862 0.5000-0.0000 ( 5968 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6224 -25.9703 -25.9703 -25.9684 -25.9684 -6.8343 -6.8341 -6.4498 -6.4385 -6.1041 -6.0908 -6.0418 -6.0417 0.9966 1.0025 1.4310 1.4342 1.5308 1.5337 1.7721 1.7823 2.4190 2.4304 2.4418 2.4465 2.4567 2.4689 2.5002 2.5325 2.9067 2.9093 2.9333 2.9382 3.3302 3.3764 3.4793 3.4863 3.7246 3.7279 4.0928 4.0980 4.1597 4.1673 4.1858 4.2051 4.2599 4.3201 4.3964 4.3971 4.4555 4.4617 4.5302 4.5761 4.7741 4.8317 4.8517 4.8837 5.0397 5.0788 5.1327 5.1572 5.2870 5.3424 5.8010 5.8310 5.8383 5.8500 8.0013 8.0406 8.5303 8.5763 8.7623 8.7939 8.8315 8.8388 9.0729 9.1752 10.3262 10.3289 11.5496 11.5645 k = 0.1034 0.5000-0.0000 ( 5960 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9703 -25.9703 -25.9684 -25.9684 -6.8288 -6.8285 -6.4483 -6.4348 -6.1092 -6.0938 -6.0459 -6.0453 1.0039 1.0109 1.4320 1.4358 1.5291 1.5325 1.7736 1.7857 2.4141 2.4305 2.4393 2.4447 2.4577 2.4703 2.4986 2.5361 2.9000 2.9040 2.9303 2.9370 3.3143 3.3696 3.4662 3.4730 3.7308 3.7346 4.0889 4.0947 4.1563 4.1646 4.1868 4.2039 4.2644 4.3284 4.4007 4.4019 4.4527 4.4650 4.5464 4.5955 4.7547 4.8208 4.8500 4.8803 5.0352 5.0761 5.1482 5.1719 5.2890 5.3548 5.7898 5.8244 5.8276 5.8422 8.0126 8.0591 8.5362 8.5938 8.7583 8.7834 8.8250 8.8386 9.0750 9.1922 10.3411 10.3443 11.5569 11.5749 k = 0.1207 0.5000-0.0000 ( 5960 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6225 -25.9703 -25.9703 -25.9684 -25.9684 -6.8223 -6.8220 -6.4463 -6.4306 -6.1151 -6.0977 -6.0506 -6.0495 1.0124 1.0206 1.4330 1.4376 1.5271 1.5312 1.7757 1.7897 2.4085 2.4306 2.4365 2.4423 2.4593 2.4719 2.4975 2.5396 2.8919 2.8972 2.9274 2.9358 3.2967 3.3612 3.4518 3.4576 3.7376 3.7419 4.0853 4.0914 4.1538 4.1627 4.1883 4.2033 4.2677 4.3330 4.4046 4.4077 4.4531 4.4704 4.5636 4.6158 4.7358 4.8077 4.8486 4.8777 5.0285 5.0713 5.1641 5.1862 5.2939 5.3684 5.7781 5.8158 5.8168 5.8332 8.0265 8.0799 8.5413 8.6111 8.7569 8.7742 8.8186 8.8369 9.0793 9.2092 10.3587 10.3623 11.5642 11.5853 k = 0.1379 0.5000-0.0000 ( 5956 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6225 -25.9703 -25.9703 -25.9685 -25.9685 -6.8149 -6.8145 -6.4438 -6.4261 -6.1215 -6.1025 -6.0559 -6.0541 1.0219 1.0312 1.4342 1.4395 1.5249 1.5296 1.7787 1.7943 2.4025 2.4306 2.4334 2.4396 2.4616 2.4738 2.4971 2.5431 2.8824 2.8888 2.9248 2.9347 3.2778 3.3513 3.4361 3.4402 3.7449 3.7496 4.0823 4.0884 4.1524 4.1617 4.1901 4.2030 4.2702 4.3347 4.4072 4.4113 4.4589 4.4778 4.5809 4.6365 4.7177 4.7935 4.8475 4.8756 5.0204 5.0650 5.1776 5.1992 5.3033 5.3829 5.7665 5.8033 5.8088 5.8230 8.0427 8.1025 8.5447 8.6265 8.7572 8.7676 8.8143 8.8346 9.0857 9.2259 10.3790 10.3829 11.5708 11.5948 k = 0.1552 0.5000-0.0000 ( 5958 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6225 -25.9704 -25.9704 -25.9685 -25.9685 -6.8065 -6.8062 -6.4409 -6.4211 -6.1287 -6.1083 -6.0619 -6.0590 1.0323 1.0427 1.4355 1.4415 1.5226 1.5279 1.7825 1.7997 2.3963 2.4301 2.4306 2.4367 2.4642 2.4758 2.4973 2.5466 2.8717 2.8788 2.9225 2.9335 3.2577 3.3401 3.4192 3.4212 3.7524 3.7574 4.0801 4.0859 4.1518 4.1616 4.1922 4.2029 4.2722 4.3346 4.4083 4.4110 4.4706 4.4868 4.5979 4.6566 4.7015 4.7792 4.8468 4.8740 5.0112 5.0572 5.1864 5.2101 5.3177 5.3976 5.7552 5.7907 5.8004 5.8123 8.0612 8.1268 8.5460 8.6375 8.7568 8.7647 8.8153 8.8333 9.0935 9.2420 10.4018 10.4060 11.5759 11.6022 k = 0.1724 0.5000-0.0000 ( 5974 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6225 -25.9704 -25.9704 -25.9686 -25.9686 -6.7974 -6.7970 -6.4376 -6.4158 -6.1364 -6.1151 -6.0684 -6.0643 1.0434 1.0548 1.4369 1.4435 1.5201 1.5260 1.7874 1.8060 2.3901 2.4268 2.4306 2.4337 2.4671 2.4780 2.4980 2.5502 2.8597 2.8673 2.9203 2.9323 3.2368 3.3276 3.4007 3.4014 3.7600 3.7653 4.0787 4.0842 4.1522 4.1623 4.1943 4.2029 4.2738 4.3333 4.4077 4.4080 4.4860 4.4966 4.6135 4.6705 4.6931 4.7657 4.8464 4.8727 5.0014 5.0484 5.1899 5.2185 5.3368 5.4120 5.7440 5.7794 5.7904 5.8030 8.0817 8.1525 8.5450 8.6426 8.7530 8.7648 8.8241 8.8357 9.1025 9.2574 10.4271 10.4315 11.5787 11.6067 k = 0.1897 0.5000-0.0000 ( 5970 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6225 -25.9705 -25.9705 -25.9687 -25.9687 -6.7874 -6.7869 -6.4338 -6.4101 -6.1448 -6.1228 -6.0754 -6.0698 1.0550 1.0675 1.4382 1.4456 1.5174 1.5240 1.7936 1.8134 2.3841 2.4237 2.4304 2.4308 2.4703 2.4804 2.4992 2.5537 2.8465 2.8543 2.9184 2.9311 3.2153 3.3140 3.3790 3.3827 3.7675 3.7730 4.0782 4.0836 4.1535 4.1638 4.1965 4.2031 4.2754 4.3317 4.4037 4.4061 4.5034 4.5057 4.6265 4.6652 4.7060 4.7549 4.8467 4.8716 4.9912 5.0386 5.1886 5.2241 5.3591 5.4253 5.7318 5.7717 5.7775 5.7971 8.1041 8.1791 8.5422 8.6420 8.7460 8.7646 8.8406 8.8450 9.1124 9.2719 10.4549 10.4594 11.5784 11.6073 k = 0.2069 0.5000-0.0000 ( 5966 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6225 -25.9705 -25.9705 -25.9688 -25.9688 -6.7767 -6.7762 -6.4297 -6.4042 -6.1537 -6.1313 -6.0828 -6.0756 1.0670 1.0804 1.4395 1.4476 1.5145 1.5217 1.8012 1.8220 2.3785 2.4208 2.4280 2.4302 2.4736 2.4829 2.5009 2.5573 2.8322 2.8400 2.9167 2.9299 3.1934 3.2994 3.3563 3.3633 3.7750 3.7806 4.0786 4.0839 4.1557 4.1660 4.1987 4.2033 4.2771 4.3298 4.3989 4.4037 4.5129 4.5215 4.6349 4.6562 4.7251 4.7483 4.8478 4.8707 4.9809 5.0280 5.1834 5.2265 5.3826 5.4368 5.7176 5.7621 5.7697 5.7950 8.1280 8.2064 8.5381 8.6378 8.7374 8.7617 8.8623 8.8625 9.1229 9.2853 10.4850 10.4896 11.5744 11.6031 k = 0.2241 0.5000-0.0000 ( 5970 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6225 -25.9706 -25.9705 -25.9688 -25.9688 -6.7653 -6.7647 -6.4252 -6.3980 -6.1632 -6.1407 -6.0906 -6.0817 1.0792 1.0935 1.4407 1.4495 1.5115 1.5192 1.8104 1.8319 2.3734 2.4183 2.4256 2.4299 2.4770 2.4855 2.5029 2.5609 2.8168 2.8244 2.9151 2.9286 3.1714 3.2839 3.3327 3.3431 3.7823 3.7878 4.0799 4.0853 4.1586 4.1688 4.2007 4.2036 4.2790 4.3279 4.3939 4.4006 4.5166 4.5398 4.6369 4.6504 4.7440 4.7479 4.8498 4.8701 4.9707 5.0168 5.1752 5.2254 5.4057 5.4461 5.7013 5.7453 5.7740 5.7964 8.1531 8.2337 8.5332 8.6318 8.7283 8.7562 8.8855 8.8882 9.1338 9.2975 10.5173 10.5221 11.5660 11.5936 k = 0.2414 0.5000-0.0000 ( 5984 PWs) bands (ev): -61.7094 -61.7094 -34.6226 -34.6226 -25.9706 -25.9706 -25.9689 -25.9689 -6.7532 -6.7526 -6.4204 -6.3916 -6.1733 -6.1509 -6.0987 -6.0879 1.0914 1.1064 1.4419 1.4513 1.5083 1.5164 1.8213 1.8434 2.3689 2.4163 2.4236 2.4295 2.4805 2.4882 2.5054 2.5644 2.8003 2.8075 2.9137 2.9272 3.1497 3.2675 3.3087 3.3224 3.7892 3.7946 4.0819 4.0878 4.1622 4.1719 4.2026 4.2039 4.2811 4.3260 4.3889 4.3972 4.5158 4.5577 4.6326 4.6494 4.7534 4.7613 4.8532 4.8699 4.9606 5.0051 5.1643 5.2207 5.4271 5.4533 5.6836 5.7275 5.7840 5.8015 8.1793 8.2606 8.5282 8.6256 8.7195 8.7492 8.9122 8.9164 9.1449 9.3082 10.5518 10.5566 11.5529 11.5785 k = 0.2586 0.5000-0.0000 ( 5984 PWs) bands (ev): -61.7094 -61.7094 -34.6226 -34.6226 -25.9707 -25.9707 -25.9690 -25.9690 -6.7405 -6.7399 -6.4154 -6.3850 -6.1838 -6.1617 -6.1070 -6.0944 1.1035 1.1191 1.4429 1.4530 1.5049 1.5133 1.8342 1.8565 2.3652 2.4149 2.4220 2.4290 2.4840 2.4909 2.5080 2.5679 2.7828 2.7894 2.9124 2.9259 3.1283 3.2502 3.2846 3.3013 3.7958 3.8010 4.0847 4.0914 4.1665 4.1754 4.2042 4.2044 4.2835 4.3244 4.3842 4.3936 4.5107 4.5741 4.6248 4.6533 4.7629 4.7765 4.8583 4.8703 4.9509 4.9933 5.1514 5.2125 5.4461 5.4588 5.6651 5.7089 5.7988 5.8105 8.2061 8.2866 8.5235 8.6203 8.7113 8.7416 8.9407 8.9460 9.1562 9.3175 10.5882 10.5931 11.5351 11.5581 k = 0.2759 0.5000-0.0000 ( 5984 PWs) bands (ev): -61.7094 -61.7094 -34.6226 -34.6226 -25.9707 -25.9707 -25.9690 -25.9690 -6.7274 -6.7267 -6.4101 -6.3784 -6.1946 -6.1730 -6.1155 -6.1011 1.1154 1.1313 1.4437 1.4544 1.5012 1.5099 1.8490 1.8713 2.3623 2.4142 2.4209 2.4284 2.4876 2.4936 2.5109 2.5711 2.7643 2.7702 2.9112 2.9245 3.1077 3.2319 3.2609 3.2799 3.8020 3.8069 4.0883 4.0959 4.1712 4.1789 4.2049 4.2056 4.2864 4.3231 4.3798 4.3899 4.5022 4.5852 4.6193 4.6611 4.7739 4.7890 4.8651 4.8718 4.9417 4.9815 5.1368 5.2009 5.4621 5.4632 5.6463 5.6898 5.8172 5.8231 8.2331 8.3109 8.5195 8.6167 8.7041 8.7339 8.9698 8.9765 9.1675 9.3251 10.6266 10.6316 11.5128 11.5328 k = 0.2931 0.5000-0.0000 ( 5984 PWs) bands (ev): -61.7094 -61.7094 -34.6226 -34.6226 -25.9708 -25.9708 -25.9691 -25.9691 -6.7138 -6.7131 -6.4046 -6.3718 -6.2058 -6.1848 -6.1240 -6.1080 1.1268 1.1430 1.4444 1.4557 1.4974 1.5061 1.8659 1.8878 2.3603 2.4141 2.4202 2.4279 2.4910 2.4964 2.5141 2.5742 2.7449 2.7499 2.9103 2.9232 3.0880 3.2123 3.2383 3.2584 3.8077 3.8122 4.0926 4.1013 4.1762 4.1825 4.2055 4.2065 4.2897 4.3220 4.3759 4.3862 4.4916 4.5825 4.6258 4.6716 4.7846 4.7988 4.8732 4.8748 4.9331 4.9701 5.1207 5.1864 5.4670 5.4751 5.6275 5.6704 5.8380 5.8389 8.2599 8.3330 8.5167 8.6153 8.6980 8.7264 8.9986 9.0071 9.1789 9.3309 10.6668 10.6718 11.4864 11.5033 k = 0.3103 0.5000-0.0000 ( 5986 PWs) bands (ev): -61.7094 -61.7094 -34.6226 -34.6226 -25.9709 -25.9709 -25.9691 -25.9691 -6.7000 -6.6993 -6.3990 -6.3653 -6.2171 -6.1967 -6.1326 -6.1151 1.1378 1.1539 1.4449 1.4567 1.4935 1.5019 1.8848 1.9061 2.3592 2.4148 2.4199 2.4275 2.4943 2.4991 2.5174 2.5768 2.7246 2.7287 2.9095 2.9219 3.0695 3.1911 3.2175 3.2371 3.8130 3.8171 4.0975 4.1073 4.1813 4.1859 4.2061 4.2071 4.2936 4.3214 4.3725 4.3826 4.4797 4.5703 4.6407 4.6837 4.7936 4.8063 4.8795 4.8817 4.9251 4.9593 5.1036 5.1695 5.4705 5.4854 5.6091 5.6511 5.8572 5.8603 8.2859 8.3524 8.5154 8.6164 8.6930 8.7193 9.0266 9.0374 9.1902 9.3350 10.7086 10.7137 11.4567 11.4705 k = 0.3276 0.5000-0.0000 ( 5992 PWs) bands (ev): -61.7095 -61.7095 -34.6227 -34.6227 -25.9709 -25.9709 -25.9692 -25.9692 -6.6860 -6.6853 -6.3935 -6.3592 -6.2283 -6.2088 -6.1410 -6.1223 1.1482 1.1641 1.4451 1.4574 1.4894 1.4974 1.9056 1.9261 2.3589 2.4160 2.4196 2.4274 2.4974 2.5016 2.5209 2.5790 2.7036 2.7066 2.9089 2.9207 3.0525 3.1687 3.1984 3.2161 3.8179 3.8215 4.1029 4.1139 4.1863 4.1889 4.2068 4.2072 4.2982 4.3214 4.3696 4.3791 4.4674 4.5554 4.6578 4.6969 4.8005 4.8123 4.8858 4.8890 4.9181 4.9499 5.0856 5.1508 5.4739 5.4931 5.5915 5.6321 5.8771 5.8829 8.3105 8.3687 8.5162 8.6201 8.6892 8.7126 9.0536 9.0670 9.2014 9.3372 10.7519 10.7571 11.4247 11.4356 k = 0.3448 0.5000-0.0000 ( 5988 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9710 -25.9710 -25.9692 -25.9692 -6.6719 -6.6712 -6.3880 -6.3536 -6.2392 -6.2207 -6.1493 -6.1297 1.1579 1.1734 1.4452 1.4578 1.4854 1.4927 1.9280 1.9474 2.3596 2.4179 2.4190 2.4278 2.5004 2.5039 2.5244 2.5806 2.6820 2.6840 2.9086 2.9195 3.0371 3.1458 3.1809 3.1958 3.8222 3.8254 4.1089 4.1209 4.1910 4.1914 4.2069 4.2074 4.3035 4.3220 4.3672 4.3759 4.4551 4.5397 4.6756 4.7108 4.8052 4.8173 4.8928 4.8935 4.9127 4.9429 5.0672 5.1311 5.4774 5.4989 5.5748 5.6136 5.8977 5.9052 8.3331 8.3819 8.5193 8.6259 8.6866 8.7064 9.0792 9.0953 9.2124 9.3374 10.7965 10.8020 11.3913 11.3996 k = 0.3621 0.5000-0.0000 ( 5988 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9710 -25.9710 -25.9692 -25.9692 -6.6580 -6.6573 -6.3828 -6.3489 -6.2494 -6.2322 -6.1572 -6.1371 1.1671 1.1818 1.4450 1.4579 1.4816 1.4879 1.9517 1.9699 2.3610 2.4179 2.4202 2.4288 2.5030 2.5061 2.5281 2.5814 2.6601 2.6610 2.9084 2.9184 3.0235 3.1233 3.1646 3.1765 3.8261 3.8288 4.1153 4.1281 4.1932 4.1951 4.2061 4.2080 4.3096 4.3234 4.3653 4.3729 4.4432 4.5237 4.6937 4.7250 4.8084 4.8219 4.8936 4.8962 4.9122 4.9390 5.0489 5.1110 5.4808 5.5030 5.5593 5.5959 5.9182 5.9265 8.3530 8.3922 8.5250 8.6333 8.6849 8.7007 9.1033 9.1221 9.2229 9.3357 10.8424 10.8481 11.3577 11.3639 k = 0.3793 0.5000-0.0000 ( 5982 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9711 -25.9711 -25.9692 -25.9692 -6.6445 -6.6438 -6.3780 -6.3455 -6.2584 -6.2429 -6.1647 -6.1445 1.1755 1.1893 1.4446 1.4575 1.4781 1.4832 1.9762 1.9930 2.3632 2.4162 2.4228 2.4303 2.5053 2.5079 2.5317 2.5815 2.6382 2.6382 2.9085 2.9174 3.0121 3.1016 3.1496 3.1585 3.8295 3.8318 4.1222 4.1354 4.1943 4.1984 4.2051 4.2085 4.3165 4.3257 4.3637 4.3703 4.4319 4.5076 4.7118 4.7392 4.8106 4.8263 4.8898 4.8935 4.9184 4.9372 5.0311 5.0914 5.4843 5.5058 5.5455 5.5791 5.9378 5.9463 8.3697 8.4000 8.5337 8.6412 8.6842 8.6954 9.1262 9.1471 9.2327 9.3321 10.8892 10.8953 11.3251 11.3294 k = 0.3966 0.5000-0.0000 ( 5980 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9711 -25.9711 -25.9693 -25.9693 -6.6315 -6.6309 -6.3739 -6.3439 -6.2657 -6.2526 -6.1715 -6.1518 1.1831 1.1957 1.4440 1.4567 1.4750 1.4788 2.0010 2.0161 2.3659 2.4139 2.4256 2.4321 2.5072 2.5093 2.5353 2.5804 2.6163 2.6170 2.9088 2.9165 3.0028 3.0811 3.1358 3.1420 3.8325 3.8343 4.1293 4.1426 4.1945 4.1997 4.2050 4.2088 4.3240 4.3286 4.3625 4.3681 4.4214 4.4917 4.7298 4.7532 4.8126 4.8309 4.8838 4.8888 4.9256 4.9352 5.0147 5.0731 5.4878 5.5075 5.5334 5.5637 5.9560 5.9641 8.3832 8.4058 8.5449 8.6485 8.6843 8.6907 9.1478 9.1700 9.2415 9.3266 10.9370 10.9434 11.2943 11.2973 k = 0.4138 0.5000-0.0000 ( 5980 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9712 -25.9712 -25.9693 -25.9693 -6.6195 -6.6189 -6.3705 -6.3444 -6.2708 -6.2608 -6.1774 -6.1589 1.1900 1.2010 1.4433 1.4553 1.4725 1.4751 2.0253 2.0386 2.3691 2.4111 2.4285 2.4340 2.5084 2.5102 2.5386 2.5774 2.5967 2.5973 2.9092 2.9156 2.9959 3.0623 3.1235 3.1275 3.8350 3.8364 4.1367 4.1496 4.1937 4.1983 4.2063 4.2090 4.3320 4.3323 4.3616 4.3663 4.4121 4.4760 4.7475 4.7666 4.8150 4.8358 4.8774 4.8838 4.9304 4.9309 5.0014 5.0568 5.4911 5.5084 5.5233 5.5496 5.9723 5.9795 8.3936 8.4099 8.5582 8.6538 8.6850 8.6872 9.1683 9.1906 9.2488 9.3191 10.9853 10.9922 11.2666 11.2684 k = 0.4310 0.5000-0.0000 ( 5984 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9712 -25.9712 -25.9693 -25.9693 -6.6087 -6.6083 -6.3680 -6.3469 -6.2739 -6.2673 -6.1822 -6.1657 1.1960 1.2052 1.4427 1.4532 1.4705 1.4722 2.0482 2.0593 2.3727 2.4076 2.4312 2.4357 2.5088 2.5104 2.5412 2.5691 2.5805 2.5841 2.9098 2.9149 2.9914 3.0452 3.1129 3.1152 3.8370 3.8381 4.1442 4.1563 4.1918 4.1956 4.2079 4.2093 4.3365 4.3401 4.3609 4.3649 4.4041 4.4607 4.7642 4.7788 4.8186 4.8416 4.8714 4.8790 4.9231 4.9297 4.9935 5.0431 5.4942 5.5087 5.5154 5.5372 5.9863 5.9923 8.4013 8.4129 8.5727 8.6554 8.6857 8.6861 9.1878 9.2086 9.2544 9.3099 11.0340 11.0413 11.2426 11.2437 k = 0.4483 0.5000-0.0000 ( 5980 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9712 -25.9712 -25.9693 -25.9693 -6.5996 -6.5993 -6.3662 -6.3506 -6.2754 -6.2718 -6.1855 -6.1720 1.2010 1.2082 1.4423 1.4508 1.4691 1.4702 2.0686 2.0773 2.3765 2.4035 2.4336 2.4371 2.5083 2.5096 2.5421 2.5563 2.5689 2.5787 2.9105 2.9142 2.9894 3.0303 3.1042 3.1053 3.8386 3.8394 4.1517 4.1626 4.1886 4.1923 4.2091 4.2096 4.3410 4.3473 4.3605 4.3642 4.3984 4.4460 4.7787 4.7890 4.8246 4.8488 4.8668 4.8746 4.9118 4.9224 4.9923 5.0320 5.4972 5.5084 5.5098 5.5267 5.9976 6.0023 8.4070 8.4148 8.5875 8.6527 8.6863 8.6873 9.2065 9.2240 9.2579 9.2991 11.0826 11.0903 11.2232 11.2237 k = 0.4655 0.5000-0.0000 ( 5976 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9713 -25.9713 -25.9693 -25.9693 -6.5927 -6.5924 -6.3649 -6.3548 -6.2761 -6.2746 -6.1873 -6.1776 1.2051 1.2101 1.4423 1.4482 1.4682 1.4689 2.0850 2.0911 2.3804 2.3990 2.4357 2.4381 2.5067 2.5076 2.5402 2.5459 2.5645 2.5749 2.9112 2.9136 2.9900 3.0175 3.0977 3.0982 3.8398 3.8403 4.1590 4.1684 4.1846 4.1886 4.2099 4.2100 4.3457 4.3522 4.3603 4.3640 4.3964 4.4320 4.7896 4.7961 4.8344 4.8578 4.8640 4.8705 4.8977 4.9105 4.9958 5.0229 5.5001 5.5065 5.5076 5.5180 6.0061 6.0093 8.4110 8.4158 8.6019 8.6466 8.6878 8.6885 9.2244 9.2366 9.2591 9.2867 11.1300 11.1377 11.2089 11.2090 k = 0.4828 0.5000-0.0000 ( 5984 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9713 -25.9713 -25.9693 -25.9693 -6.5883 -6.5882 -6.3635 -6.3586 -6.2763 -6.2759 -6.1872 -6.1822 1.2081 1.2106 1.4429 1.4459 1.4678 1.4681 2.0963 2.0994 2.3847 2.3941 2.4372 2.4384 2.5048 2.5053 2.5379 2.5399 2.5651 2.5713 2.9119 2.9130 2.9932 3.0070 3.0937 3.0939 3.8405 3.8408 4.1659 4.1732 4.1800 4.1845 4.2102 4.2103 4.3500 4.3540 4.3606 4.3631 4.3997 4.4191 4.7963 4.7995 4.8480 4.8632 4.8670 4.8682 4.8824 4.8967 5.0015 5.0151 5.5030 5.5052 5.5065 5.5114 6.0116 6.0132 8.4137 8.4160 8.6154 8.6380 8.6890 8.6893 9.2413 9.2463 9.2578 9.2729 11.1728 11.1788 11.2000 11.2004 k = 0.5000 0.5000-0.0000 ( 6024 PWs) bands (ev): -61.7095 -61.7095 -34.6228 -34.6228 -25.9713 -25.9713 -25.9694 -25.9694 -6.5868 -6.5868 -6.3615 -6.3615 -6.2764 -6.2764 -6.1855 -6.1855 1.2099 1.2099 1.4441 1.4441 1.4677 1.4677 2.1012 2.1012 2.3892 2.3892 2.4380 2.4380 2.5041 2.5041 2.5374 2.5374 2.5678 2.5678 2.9124 2.9124 2.9988 2.9988 3.0923 3.0923 3.8408 3.8408 4.1719 4.1719 4.1802 4.1802 4.2103 4.2103 4.3530 4.3530 4.3615 4.3615 4.4078 4.4078 4.7994 4.7994 4.8633 4.8633 4.8645 4.8645 4.8831 4.8831 5.0080 5.0080 5.5054 5.5054 5.5065 5.5065 6.0139 6.0139 8.4153 8.4153 8.6275 8.6275 8.6895 8.6895 9.2526 9.2526 9.2585 9.2585 11.1954 11.1954 11.1984 11.1984 k = 0.5000 0.5000-0.0000 ( 6024 PWs) bands (ev): -61.7095 -61.7095 -34.6228 -34.6228 -25.9713 -25.9713 -25.9694 -25.9694 -6.5868 -6.5868 -6.3615 -6.3615 -6.2764 -6.2764 -6.1855 -6.1855 1.2099 1.2099 1.4441 1.4441 1.4677 1.4677 2.1012 2.1012 2.3892 2.3892 2.4380 2.4380 2.5041 2.5041 2.5374 2.5374 2.5678 2.5678 2.9124 2.9124 2.9988 2.9988 3.0923 3.0923 3.8408 3.8408 4.1719 4.1719 4.1802 4.1802 4.2103 4.2103 4.3530 4.3530 4.3615 4.3615 4.4078 4.4078 4.7994 4.7994 4.8633 4.8633 4.8645 4.8645 4.8831 4.8831 5.0080 5.0080 5.5054 5.5054 5.5065 5.5065 6.0139 6.0139 8.4153 8.4153 8.6275 8.6275 8.6895 8.6895 9.2526 9.2526 9.2585 9.2585 11.1954 11.1954 11.1984 11.1984 k = 0.4878 0.4878-0.0000 ( 5976 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9713 -25.9713 -25.9693 -25.9693 -6.5883 -6.5882 -6.3635 -6.3586 -6.2763 -6.2760 -6.1873 -6.1822 1.2081 1.2106 1.4428 1.4459 1.4678 1.4682 2.0962 2.0994 2.3847 2.3941 2.4372 2.4384 2.5049 2.5053 2.5379 2.5398 2.5649 2.5715 2.9119 2.9131 2.9932 3.0069 3.0937 3.0939 3.8405 3.8408 4.1655 4.1755 4.1775 4.1852 4.2103 4.2103 4.3500 4.3539 4.3607 4.3632 4.3995 4.4193 4.7965 4.7993 4.8489 4.8611 4.8682 4.8684 4.8824 4.8968 5.0015 5.0151 5.5030 5.5050 5.5070 5.5112 6.0116 6.0132 8.4137 8.4160 8.6154 8.6381 8.6890 8.6892 9.2391 9.2514 9.2549 9.2730 11.1714 11.1769 11.2020 11.2021 k = 0.4756 0.4756-0.0000 ( 5976 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9712 -25.9712 -25.9693 -25.9693 -6.5927 -6.5926 -6.3644 -6.3549 -6.2757 -6.2752 -6.1874 -6.1774 1.2051 1.2101 1.4411 1.4471 1.4694 1.4700 2.0848 2.0910 2.3804 2.3992 2.4356 2.4381 2.5077 2.5078 2.5405 2.5450 2.5623 2.5769 2.9113 2.9136 2.9905 3.0167 3.0975 3.0986 3.8398 3.8403 4.1576 4.1754 4.1766 4.1910 4.2098 4.2100 4.3456 4.3523 4.3610 4.3641 4.3948 4.4329 4.7910 4.7937 4.8382 4.8575 4.8587 4.8728 4.8980 4.9106 4.9957 5.0230 5.5004 5.5053 5.5096 5.5169 6.0062 6.0093 8.4112 8.4157 8.6017 8.6469 8.6878 8.6883 9.2194 9.2478 9.2537 9.2859 11.1248 11.1314 11.2160 11.2169 k = 0.4634 0.4634-0.0000 ( 5976 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9712 -25.9712 -25.9693 -25.9693 -6.5999 -6.5998 -6.3643 -6.3505 -6.2746 -6.2741 -6.1860 -6.1716 1.2009 1.2084 1.4375 1.4456 1.4746 1.4746 2.0675 2.0767 2.3765 2.4043 2.4334 2.4371 2.5105 2.5122 2.5437 2.5525 2.5609 2.5857 2.9106 2.9141 2.9908 3.0276 3.1036 3.1067 3.8386 3.8394 4.1492 4.1732 4.1766 4.1962 4.2091 4.2093 4.3407 4.3494 4.3615 4.3633 4.3946 4.4483 4.7819 4.7831 4.8336 4.8485 4.8572 4.8777 4.9124 4.9227 4.9921 5.0322 5.4984 5.5062 5.5134 5.5238 5.9979 6.0025 8.4078 8.4145 8.5865 8.6539 8.6858 8.6866 9.1976 9.2425 9.2511 9.2962 11.0713 11.0773 11.2394 11.2411 k = 0.4512 0.4512-0.0000 ( 5972 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9712 -25.9712 -25.9693 -25.9693 -6.6096 -6.6096 -6.3631 -6.3455 -6.2728 -6.2724 -6.1831 -6.1648 1.1957 1.2056 1.4310 1.4403 1.4828 1.4841 2.0455 2.0575 2.3732 2.4094 2.4308 2.4355 2.5133 2.5174 2.5463 2.5554 2.5677 2.5992 2.9101 2.9148 2.9940 3.0387 3.1117 3.1186 3.8370 3.8382 4.1408 4.1710 4.1759 4.2002 4.2077 4.2083 4.3359 4.3456 4.3609 4.3620 4.3987 4.4651 4.7661 4.7730 4.8329 4.8411 4.8571 4.8831 4.9239 4.9303 4.9932 5.0435 5.4970 5.5076 5.5183 5.5316 5.9873 5.9932 8.4036 8.4125 8.5702 8.6592 8.6834 8.6844 9.1743 9.2357 9.2467 9.3039 11.0142 11.0191 11.2713 11.2740 k = 0.4390 0.4390-0.0000 ( 5974 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9712 -25.9712 -25.9693 -25.9693 -6.6218 -6.6215 -6.3609 -6.3402 -6.2704 -6.2702 -6.1789 -6.1573 1.1895 1.2017 1.4217 1.4321 1.4943 1.4971 2.0198 2.0344 2.3705 2.4145 2.4276 2.4333 2.5155 2.5222 2.5484 2.5550 2.5821 2.6171 2.9095 2.9156 2.9998 3.0498 3.1215 3.1338 3.8350 3.8365 4.1326 4.1688 4.1747 4.2028 4.2056 4.2067 4.3317 4.3412 4.3576 4.3624 4.4061 4.4830 4.7487 4.7613 4.8338 4.8351 4.8586 4.8891 4.9310 4.9316 5.0011 5.0575 5.4961 5.5098 5.5240 5.5399 5.9747 5.9816 8.3986 8.4097 8.5527 8.6625 8.6804 8.6818 9.1495 9.2273 9.2405 9.3089 10.9543 10.9581 11.3108 11.3147 k = 0.4268 0.4268-0.0000 ( 5964 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9711 -25.9711 -25.9692 -25.9692 -6.6360 -6.6354 -6.3578 -6.3344 -6.2675 -6.2674 -6.1736 -6.1493 1.1824 1.1968 1.4101 1.4214 1.5087 1.5128 1.9912 2.0082 2.3689 2.4195 2.4240 2.4308 2.5168 2.5257 2.5510 2.5562 2.5994 2.6385 2.9091 2.9167 3.0079 3.0607 3.1330 3.1521 3.8327 3.8346 4.1245 4.1667 4.1731 4.2018 4.2045 4.2046 4.3285 4.3363 4.3539 4.3631 4.4162 4.5018 4.7309 4.7485 4.8300 4.8352 4.8615 4.8958 4.9262 4.9354 5.0145 5.0743 5.4957 5.5127 5.5302 5.5482 5.9609 5.9686 8.3929 8.4060 8.5342 8.6636 8.6771 8.6792 9.1236 9.2173 9.2326 9.3111 10.8920 10.8948 11.3570 11.3623 k = 0.4146 0.4146-0.0000 ( 5980 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9711 -25.9711 -25.9692 -25.9692 -6.6520 -6.6511 -6.3538 -6.3283 -6.2641 -6.2637 -6.1676 -6.1411 1.1743 1.1907 1.3962 1.4084 1.5253 1.5308 1.9607 1.9798 2.3687 2.4201 2.4236 2.4287 2.5170 2.5269 2.5550 2.5605 2.6186 2.6624 2.9087 2.9180 3.0177 3.0714 3.1458 3.1725 3.8299 3.8323 4.1166 4.1646 4.1713 4.1967 4.2014 4.2050 4.3262 4.3310 4.3504 4.3639 4.4284 4.5212 4.7133 4.7352 4.8253 4.8365 4.8658 4.9023 4.9187 4.9356 5.0311 5.0931 5.4959 5.5165 5.5361 5.5558 5.9466 5.9549 8.3866 8.4017 8.5149 8.6622 8.6735 8.6770 9.0968 9.2056 9.2227 9.3107 10.8273 10.8292 11.4084 11.4155 k = 0.4024 0.4024-0.0000 ( 5990 PWs) bands (ev): -61.7095 -61.7095 -34.6227 -34.6227 -25.9710 -25.9710 -25.9692 -25.9692 -6.6695 -6.6683 -6.3492 -6.3220 -6.2601 -6.2593 -6.1610 -6.1329 1.1653 1.1836 1.3803 1.3934 1.5439 1.5505 1.9288 1.9499 2.3700 2.4161 2.4227 2.4317 2.5161 2.5260 2.5610 2.5678 2.6394 2.6880 2.9086 2.9195 3.0290 3.0822 3.1599 3.1945 3.8267 3.8296 4.1089 4.1628 4.1694 4.1897 4.1973 4.2049 4.3247 4.3256 4.3473 4.3651 4.4424 4.5409 4.6961 4.7216 4.8211 4.8374 4.8712 4.9031 4.9157 4.9329 5.0494 5.1135 5.4965 5.5215 5.5415 5.5619 5.9329 5.9413 8.3799 8.3967 8.4951 8.6580 8.6697 8.6755 9.0695 9.1924 9.2108 9.3075 10.7604 10.7616 11.4636 11.4728 k = 0.3902 0.3902-0.0000 ( 5986 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9710 -25.9710 -25.9692 -25.9692 -6.6882 -6.6867 -6.3438 -6.3153 -6.2553 -6.2543 -6.1540 -6.1247 1.1553 1.1752 1.3625 1.3764 1.5639 1.5717 1.8963 1.9192 2.3732 2.4118 2.4191 2.4371 2.5147 2.5239 2.5688 2.5774 2.6613 2.7151 2.9087 2.9215 3.0413 3.0932 3.1748 3.2174 3.8232 3.8267 4.1016 4.1614 4.1675 4.1811 4.1920 4.2044 4.3204 4.3240 4.3450 4.3666 4.4579 4.5607 4.6796 4.7081 4.8171 4.8380 4.8774 4.8937 4.9224 4.9279 5.0685 5.1347 5.4972 5.5279 5.5460 5.5656 5.9207 5.9289 8.3728 8.3912 8.4748 8.6515 8.6659 8.6742 9.0417 9.1774 9.1970 9.3017 10.6913 10.6921 11.5210 11.5325 k = 0.3780 0.3780-0.0000 ( 5982 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9709 -25.9709 -25.9692 -25.9692 -6.7079 -6.7062 -6.3378 -6.3084 -6.2499 -6.2487 -6.1468 -6.1166 1.1442 1.1656 1.3430 1.3576 1.5849 1.5938 1.8638 1.8884 2.3784 2.4076 2.4150 2.4431 2.5134 2.5213 2.5783 2.5887 2.6841 2.7431 2.9091 2.9237 3.0543 3.1044 3.1906 3.2407 3.8195 3.8236 4.0945 4.1602 4.1653 4.1713 4.1853 4.2036 4.3158 4.3237 4.3435 4.3686 4.4745 4.5802 4.6641 4.6947 4.8134 4.8381 4.8822 4.8843 4.9213 4.9309 5.0882 5.1561 5.4971 5.5358 5.5499 5.5661 5.9111 5.9188 8.3656 8.3853 8.4543 8.6432 8.6619 8.6729 9.0139 9.1609 9.1812 9.2934 10.6202 10.6208 11.5789 11.5930 k = 0.3659 0.3659-0.0000 ( 5988 PWs) bands (ev): -61.7095 -61.7095 -34.6227 -34.6227 -25.9708 -25.9708 -25.9692 -25.9691 -6.7284 -6.7265 -6.3312 -6.3013 -6.2439 -6.2425 -6.1397 -6.1089 1.1321 1.1546 1.3219 1.3371 1.6059 1.6160 1.8324 1.8585 2.3855 2.4034 2.4106 2.4489 2.5130 2.5184 2.5891 2.6014 2.7076 2.7718 2.9097 2.9262 3.0678 3.1157 3.2068 3.2640 3.8154 3.8201 4.0878 4.1573 4.1593 4.1659 4.1772 4.2027 4.3121 4.3236 4.3432 4.3710 4.4918 4.5982 4.6504 4.6816 4.8098 4.8373 4.8704 4.8915 4.9133 4.9395 5.1083 5.1774 5.4946 5.5449 5.5545 5.5631 5.9048 5.9119 8.3583 8.3788 8.4339 8.6332 8.6579 8.6712 8.9861 9.1426 9.1633 9.2826 10.5472 10.5479 11.6354 11.6524 k = 0.3537 0.3537-0.0000 ( 5986 PWs) bands (ev): -61.7095 -61.7095 -34.6226 -34.6226 -25.9707 -25.9707 -25.9691 -25.9691 -6.7495 -6.7475 -6.3241 -6.2939 -6.2372 -6.2358 -6.1326 -6.1015 1.1188 1.1422 1.2993 1.3150 1.6256 1.6367 1.8037 1.8310 2.3936 2.4003 2.4061 2.4541 2.5145 2.5158 2.6013 2.6152 2.7316 2.8011 2.9107 2.9291 3.0814 3.1272 3.2234 3.2869 3.8110 3.8164 4.0815 4.1442 4.1575 4.1646 4.1689 4.2018 4.3095 4.3238 4.3442 4.3738 4.5098 4.6102 4.6431 4.6687 4.8061 4.8350 4.8595 4.8976 4.9058 4.9478 5.1290 5.1984 5.4879 5.5489 5.5614 5.5626 5.9023 5.9087 8.3511 8.3719 8.4138 8.6217 8.6536 8.6691 8.9584 9.1228 9.1434 9.2694 10.4725 10.4734 11.6889 11.7089 k = 0.3415 0.3415-0.0000 ( 5984 PWs) bands (ev): -61.7094 -61.7094 -34.6226 -34.6226 -25.9706 -25.9706 -25.9691 -25.9691 -6.7711 -6.7690 -6.3166 -6.2862 -6.2300 -6.2285 -6.1256 -6.0946 1.1044 1.1284 1.2754 1.2915 1.6411 1.6522 1.7815 1.8088 2.3936 2.4016 2.4072 2.4578 2.5138 2.5188 2.6146 2.6300 2.7561 2.8307 2.9119 2.9323 3.0952 3.1387 3.2400 3.3091 3.8065 3.8124 4.0756 4.1294 4.1508 4.1642 4.1643 4.2011 4.3082 4.3240 4.3464 4.3771 4.5280 4.6071 4.6512 4.6562 4.8024 4.8296 4.8514 4.8930 4.9083 4.9554 5.1505 5.2192 5.4760 5.5381 5.5718 5.5745 5.9035 5.9094 8.3440 8.3639 8.3947 8.6088 8.6491 8.6665 8.9310 9.1014 9.1217 9.2540 10.3962 10.3976 11.7378 11.7608 k = 0.3293 0.3293-0.0000 ( 5982 PWs) bands (ev): -61.7094 -61.7094 -34.6226 -34.6226 -25.9705 -25.9705 -25.9690 -25.9690 -6.7930 -6.7908 -6.3086 -6.2784 -6.2222 -6.2208 -6.1189 -6.0881 1.0890 1.1133 1.2503 1.2667 1.6480 1.6557 1.7726 1.7965 2.3897 2.3970 2.4189 2.4594 2.5132 2.5267 2.6289 2.6458 2.7811 2.8606 2.9135 2.9359 3.1089 3.1503 3.2566 3.3303 3.8017 3.8081 4.0701 4.1133 4.1391 4.1641 4.1643 4.2007 4.3082 4.3245 4.3497 4.3807 4.5463 4.5958 4.6442 4.6674 4.7982 4.8199 4.8471 4.8837 4.9153 4.9618 5.1728 5.2396 5.4594 5.5212 5.5858 5.5905 5.9083 5.9137 8.3371 8.3538 8.3780 8.5946 8.6443 8.6632 8.9041 9.0786 9.0981 9.2363 10.3185 10.3206 11.7810 11.8069 k = 0.3171 0.3171-0.0000 ( 5980 PWs) bands (ev): -61.7094 -61.7094 -34.6226 -34.6226 -25.9704 -25.9704 -25.9690 -25.9690 -6.8150 -6.8129 -6.3003 -6.2704 -6.2140 -6.2127 -6.1125 -6.0820 1.0724 1.0968 1.2241 1.2407 1.6420 1.6433 1.7809 1.7983 2.3858 2.3925 2.4306 2.4589 2.5151 2.5382 2.6442 2.6625 2.8065 2.8902 2.9154 2.9401 3.1226 3.1619 3.2730 3.3504 3.7967 3.8035 4.0647 4.0963 4.1257 4.1651 4.1652 4.2007 4.3095 4.3251 4.3541 4.3848 4.5643 4.5831 4.6325 4.6851 4.7933 4.8080 4.8452 4.8744 4.9220 4.9670 5.1964 5.2600 5.4388 5.5004 5.6030 5.6087 5.9159 5.9209 8.3303 8.3400 8.3654 8.5793 8.6389 8.6590 8.8776 9.0544 9.0728 9.2165 10.2395 10.2424 11.8180 11.8466 k = 0.3049 0.3049-0.0000 ( 5986 PWs) bands (ev): -61.7095 -61.7095 -34.6226 -34.6226 -25.9703 -25.9703 -25.9690 -25.9690 -6.8371 -6.8350 -6.2916 -6.2622 -6.2054 -6.2042 -6.1063 -6.0765 1.0549 1.0790 1.1971 1.2137 1.6204 1.6245 1.8010 1.8126 2.3818 2.3880 2.4401 2.4567 2.5214 2.5527 2.6603 2.6799 2.8323 2.9177 2.9183 2.9462 3.1361 3.1734 3.2889 3.3692 3.7915 3.7985 4.0589 4.0782 4.1122 4.1664 4.1669 4.2014 4.3121 4.3260 4.3593 4.3892 4.5702 4.5817 4.6215 4.7024 4.7874 4.7953 4.8442 4.8657 4.9282 4.9706 5.2214 5.2808 5.4154 5.4769 5.6230 5.6289 5.9258 5.9304 8.3230 8.3238 8.3565 8.5631 8.6328 8.6539 8.8516 9.0290 9.0461 9.1948 10.1594 10.1632 11.8487 11.8795 k = 0.2927 0.2927-0.0000 ( 5984 PWs) bands (ev): -61.7095 -61.7095 -34.6225 -34.6225 -25.9702 -25.9702 -25.9689 -25.9689 -6.8591 -6.8572 -6.2827 -6.2540 -6.1964 -6.1954 -6.1005 -6.0715 1.0365 1.0601 1.1694 1.1860 1.5930 1.6004 1.8268 1.8347 2.3780 2.3836 2.4456 2.4533 2.5335 2.5698 2.6771 2.6981 2.8584 2.9202 2.9381 2.9608 3.1494 3.1849 3.3042 3.3864 3.7861 3.7932 4.0514 4.0594 4.1004 4.1682 4.1692 4.2030 4.3160 4.3272 4.3654 4.3940 4.5576 4.5978 4.6117 4.7187 4.7802 4.7830 4.8436 4.8585 4.9337 4.9728 5.2479 5.3023 5.3902 5.4515 5.6452 5.6509 5.9371 5.9414 8.3049 8.3175 8.3493 8.5462 8.6260 8.6475 8.8263 9.0027 9.0181 9.1712 10.0782 10.0830 11.8737 11.9060 k = 0.2805 0.2805-0.0000 ( 5964 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6225 -25.9700 -25.9700 -25.9689 -25.9689 -6.8810 -6.8791 -6.2735 -6.2456 -6.1872 -6.1863 -6.0950 -6.0669 1.0173 1.0403 1.1411 1.1575 1.5641 1.5730 1.8553 1.8611 2.3744 2.3795 2.4472 2.4492 2.5514 2.5890 2.6946 2.7168 2.8849 2.9232 2.9462 2.9871 3.1625 3.1962 3.3189 3.4021 3.7805 3.7873 4.0398 4.0405 4.0924 4.1705 4.1720 4.2057 4.3212 4.3289 4.3721 4.3992 4.5453 4.5986 4.6168 4.7319 4.7717 4.7733 4.8431 4.8528 4.9383 4.9737 5.2762 5.3241 5.3647 5.4250 5.6692 5.6742 5.9496 5.9534 8.2867 8.3112 8.3430 8.5287 8.6182 8.6397 8.8017 8.9757 8.9892 9.1459 9.9962 10.0020 11.8938 11.9268 k = 0.2683 0.2683-0.0000 ( 5958 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6225 -25.9699 -25.9699 -25.9688 -25.9688 -6.9026 -6.9009 -6.2642 -6.2373 -6.1777 -6.1770 -6.0898 -6.0629 0.9975 1.0197 1.1124 1.1286 1.5347 1.5443 1.8853 1.8898 2.3709 2.3753 2.4444 2.4457 2.5736 2.6098 2.7127 2.7361 2.9116 2.9264 2.9515 3.0162 3.1755 3.2075 3.3328 3.4160 3.7747 3.7809 4.0196 4.0254 4.0892 4.1732 4.1750 4.2098 4.3275 4.3309 4.3795 4.4045 4.5335 4.5893 4.6314 4.7362 4.7619 4.7718 4.8427 4.8488 4.9420 4.9734 5.3056 5.3302 5.3556 5.3982 5.6944 5.6986 5.9625 5.9659 8.2688 8.3049 8.3372 8.5110 8.6092 8.6304 8.7778 8.9482 8.9597 9.1191 9.9134 9.9203 11.9100 11.9428 k = 0.2561 0.2561-0.0000 ( 5958 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9698 -25.9698 -25.9688 -25.9688 -6.9238 -6.9222 -6.2547 -6.2290 -6.1680 -6.1676 -6.0849 -6.0593 0.9772 0.9985 1.0834 1.0993 1.5057 1.5153 1.9160 1.9196 2.3675 2.3714 2.4393 2.4423 2.5988 2.6319 2.7312 2.7557 2.9298 2.9387 2.9561 3.0455 3.1884 3.2186 3.3459 3.4283 3.7686 3.7739 3.9988 4.0071 4.0900 4.1759 4.1785 4.2154 4.3332 4.3350 4.3874 4.4101 4.5222 4.5800 4.6450 4.7293 4.7516 4.7811 4.8423 4.8463 4.9447 4.9722 5.3055 5.3332 5.3745 5.3790 5.7205 5.7237 5.9755 5.9785 8.2514 8.2984 8.3316 8.4932 8.5990 8.6194 8.7546 8.9205 8.9298 9.0909 9.8299 9.8378 11.9234 11.9549 k = 0.2439 0.2439-0.0000 ( 5956 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9697 -25.9697 -25.9687 -25.9687 -6.9446 -6.9432 -6.2452 -6.2207 -6.1583 -6.1581 -6.0803 -6.0561 0.9566 0.9768 1.0544 1.0700 1.4771 1.4863 1.9470 1.9501 2.3642 2.3675 2.4338 2.4378 2.6260 2.6550 2.7501 2.7756 2.9335 2.9606 2.9659 3.0743 3.2013 3.2297 3.3581 3.4389 3.7621 3.7664 3.9775 3.9867 4.0938 4.1788 4.1824 4.2227 4.3360 4.3435 4.3957 4.4157 4.5115 4.5711 4.6566 4.7181 4.7418 4.7944 4.8417 4.8450 4.9467 4.9704 5.2782 5.3324 5.3811 5.4070 5.7471 5.7494 5.9884 5.9908 8.2347 8.2915 8.3261 8.4756 8.5873 8.6066 8.7323 8.8929 8.8999 9.0615 9.7458 9.7548 11.9347 11.9645 k = 0.2317 0.2317-0.0000 ( 5960 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9696 -25.9696 -25.9687 -25.9687 -6.9649 -6.9636 -6.2357 -6.2127 -6.1485 -6.1485 -6.0759 -6.0533 0.9358 0.9550 1.0255 1.0406 1.4492 1.4579 1.9780 1.9808 2.3611 2.3638 2.4281 2.4325 2.6543 2.6789 2.7691 2.7957 2.9375 2.9650 2.9932 3.1024 3.2143 3.2408 3.3695 3.4478 3.7553 3.7583 3.9558 3.9650 4.1000 4.1818 4.1867 4.2318 4.3391 4.3531 4.4043 4.4211 4.5016 4.5626 4.6647 4.7059 4.7343 4.8084 4.8410 4.8448 4.9481 4.9681 5.2510 5.3076 5.4135 5.4374 5.7737 5.7751 6.0008 6.0027 8.2188 8.2842 8.3207 8.4583 8.5741 8.5920 8.7108 8.8658 8.8704 9.0311 9.6613 9.6713 11.9447 11.9727 k = 0.2195 0.2195-0.0000 ( 5958 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9694 -25.9694 -25.9687 -25.9687 -6.9845 -6.9834 -6.2262 -6.2048 -6.1389 -6.1388 -6.0718 -6.0509 0.9151 0.9331 0.9969 1.0115 1.4222 1.4302 2.0088 2.0113 2.3581 2.3603 2.4223 2.4268 2.6831 2.7033 2.7882 2.8157 2.9417 2.9694 3.0206 3.1292 3.2278 3.2519 3.3799 3.4551 3.7481 3.7496 3.9337 3.9424 4.1080 4.1848 4.1916 4.2426 4.3428 4.3635 4.4132 4.4262 4.4928 4.5545 4.6670 4.6935 4.7315 4.8223 4.8400 4.8452 4.9489 4.9658 5.2242 5.2805 5.4503 5.4701 5.8002 5.8008 6.0127 6.0140 8.2037 8.2761 8.3153 8.4415 8.5593 8.5756 8.6902 8.8395 8.8416 9.0000 9.5765 9.5874 11.9542 11.9804 k = 0.2073 0.2073-0.0000 ( 5956 PWs) bands (ev): -61.7094 -61.7094 -34.6223 -34.6223 -25.9693 -25.9693 -25.9686 -25.9686 -7.0035 -7.0026 -6.2169 -6.1971 -6.1295 -6.1291 -6.0680 -6.0488 0.8946 0.9115 0.9688 0.9828 1.3961 1.4033 2.0391 2.0414 2.3551 2.3569 2.4165 2.4209 2.7122 2.7279 2.8074 2.8355 2.9461 2.9738 3.0479 3.1544 3.2419 3.2632 3.3895 3.4610 3.7403 3.7405 3.9114 3.9192 4.1174 4.1879 4.1971 4.2551 4.3467 4.3747 4.4222 4.4306 4.4854 4.5469 4.6628 4.6812 4.7345 4.8344 4.8402 4.8463 4.9494 4.9637 5.1982 5.2533 5.4890 5.5048 5.8261 5.8261 6.0239 6.0245 8.1897 8.2674 8.3098 8.4253 8.5429 8.5576 8.6708 8.8138 8.8141 8.9684 9.4914 9.5032 11.9637 11.9883 k = 0.1951 0.1951-0.0000 ( 5960 PWs) bands (ev): -61.7094 -61.7094 -34.6223 -34.6223 -25.9692 -25.9692 -25.9686 -25.9686 -7.0218 -7.0210 -6.2077 -6.1897 -6.1201 -6.1196 -6.0643 -6.0470 0.8744 0.8901 0.9413 0.9546 1.3711 1.3774 2.0687 2.0709 2.3523 2.3536 2.4107 2.4150 2.7409 2.7526 2.8263 2.8550 2.9507 2.9780 3.0749 3.1775 3.2570 3.2746 3.3983 3.4656 3.7306 3.7323 3.8888 3.8956 4.1280 4.1910 4.2034 4.2691 4.3511 4.3864 4.4312 4.4334 4.4803 4.5399 4.6538 4.6692 4.7418 4.8357 4.8479 4.8504 4.9497 4.9619 5.1730 5.2266 5.5294 5.5415 5.8508 5.8512 6.0342 6.0342 8.1768 8.2579 8.3040 8.4098 8.5250 8.5381 8.6525 8.7871 8.7900 8.9365 9.4064 9.4190 11.9737 11.9968 k = 0.1829 0.1829-0.0000 ( 5958 PWs) bands (ev): -61.7094 -61.7094 -34.6223 -34.6223 -25.9691 -25.9691 -25.9685 -25.9685 -7.0392 -7.0385 -6.1988 -6.1827 -6.1109 -6.1103 -6.0608 -6.0454 0.8548 0.8693 0.9145 0.9272 1.3471 1.3526 2.0976 2.0995 2.3495 2.3505 2.4051 2.4091 2.7691 2.7770 2.8450 2.8740 2.9555 2.9822 3.1016 3.1983 3.2733 3.2865 3.4063 3.4689 3.7205 3.7237 3.8661 3.8717 4.1392 4.1943 4.2107 4.2843 4.3559 4.3984 4.4341 4.4401 4.4781 4.5333 4.6424 4.6575 4.7511 4.8337 4.8499 4.8631 4.9501 4.9606 5.1488 5.2004 5.5709 5.5798 5.8746 5.8753 6.0432 6.0438 8.1651 8.2478 8.2981 8.3948 8.5056 8.5173 8.6357 8.7616 8.7672 8.9046 9.3216 9.3348 11.9846 12.0066 k = 0.1707 0.1707-0.0000 ( 5958 PWs) bands (ev): -61.7094 -61.7094 -34.6223 -34.6223 -25.9690 -25.9690 -25.9685 -25.9685 -7.0559 -7.0553 -6.1903 -6.1760 -6.1020 -6.1013 -6.0574 -6.0440 0.8358 0.8492 0.8887 0.9006 1.3243 1.3289 2.1253 2.1270 2.3468 2.3474 2.3997 2.4033 2.7965 2.8010 2.8633 2.8923 2.9603 2.9862 3.1276 3.2166 3.2908 3.2987 3.4137 3.4712 3.7101 3.7147 3.8433 3.8477 4.1505 4.1976 4.2191 4.3005 4.3611 4.4099 4.4330 4.4488 4.4790 4.5272 4.6298 4.6461 4.7611 4.8311 4.8524 4.8756 4.9506 4.9599 5.1258 5.1750 5.6135 5.6196 5.8973 5.8982 6.0513 6.0526 8.1548 8.2373 8.2918 8.3802 8.4851 8.4955 8.6206 8.7375 8.7460 8.8730 9.2373 9.2510 11.9968 12.0178 k = 0.1585 0.1585-0.0000 ( 5952 PWs) bands (ev): -61.7094 -61.7094 -34.6223 -34.6223 -25.9689 -25.9689 -25.9685 -25.9685 -7.0716 -7.0711 -6.1821 -6.1698 -6.0935 -6.0926 -6.0543 -6.0428 0.8175 0.8298 0.8639 0.8751 1.3027 1.3066 2.1518 2.1534 2.3442 2.3444 2.3947 2.3980 2.8227 2.8244 2.8811 2.9097 2.9654 2.9901 3.1530 3.2327 3.3092 3.3114 3.4205 3.4725 3.6994 3.7052 3.8205 3.8237 4.1617 4.2010 4.2290 4.3173 4.3666 4.4181 4.4335 4.4570 4.4824 4.5217 4.6169 4.6351 4.7709 4.8281 4.8556 4.8876 4.9514 4.9598 5.1039 5.1505 5.6567 5.6605 5.9188 5.9196 6.0588 6.0607 8.1461 8.2267 8.2854 8.3658 8.4636 8.4729 8.6074 8.7148 8.7262 8.8418 9.1538 9.1679 12.0104 12.0307 k = 0.1463 0.1463-0.0000 ( 5962 PWs) bands (ev): -61.7094 -61.7094 -34.6223 -34.6223 -25.9688 -25.9688 -25.9684 -25.9684 -7.0863 -7.0859 -6.1744 -6.1639 -6.0852 -6.0843 -6.0512 -6.0417 0.8002 0.8115 0.8404 0.8508 1.2823 1.2855 2.1768 2.1782 2.3415 2.3415 2.3900 2.3928 2.8469 2.8476 2.8982 2.9259 2.9706 2.9938 3.1774 3.2470 3.3247 3.3280 3.4268 3.4731 3.6886 3.6952 3.7978 3.7999 4.1722 4.2045 4.2402 4.3344 4.3724 4.4180 4.4412 4.4648 4.4872 4.5168 4.6039 4.6244 4.7800 4.8248 4.8596 4.8992 4.9525 4.9602 5.0834 5.1269 5.7002 5.7020 5.9386 5.9393 6.0657 6.0681 8.1391 8.2166 8.2787 8.3514 8.4414 8.4500 8.5961 8.6936 8.7078 8.8114 9.0716 9.0857 12.0256 12.0454 k = 0.1341 0.1341-0.0000 ( 5950 PWs) bands (ev): -61.7094 -61.7094 -34.6222 -34.6222 -25.9687 -25.9687 -25.9684 -25.9684 -7.1000 -7.0997 -6.1673 -6.1586 -6.0774 -6.0765 -6.0483 -6.0407 0.7840 0.7941 0.8182 0.8279 1.2633 1.2659 2.2003 2.2015 2.3386 2.3389 2.3858 2.3883 2.8684 2.8710 2.9146 2.9410 2.9760 2.9973 3.2007 3.2600 3.3386 3.3468 3.4328 3.4732 3.6777 3.6850 3.7752 3.7763 4.1821 4.2080 4.2528 4.3514 4.3786 4.4142 4.4523 4.4717 4.4928 4.5127 4.5912 4.6141 4.7879 4.8214 4.8649 4.9103 4.9540 4.9612 5.0644 5.1045 5.7436 5.7440 5.9567 5.9573 6.0721 6.0750 8.1341 8.2074 8.2720 8.3369 8.4188 8.4271 8.5869 8.6737 8.6908 8.7818 8.9912 9.0050 12.0424 12.0618 k = 0.1220 0.1220-0.0000 ( 5954 PWs) bands (ev): -61.7094 -61.7094 -34.6222 -34.6222 -25.9686 -25.9686 -25.9684 -25.9684 -7.1127 -7.1125 -6.1606 -6.1537 -6.0701 -6.0691 -6.0456 -6.0397 0.7688 0.7779 0.7976 0.8064 1.2458 1.2477 2.2220 2.2230 2.3359 2.3364 2.3822 2.3843 2.8887 2.8926 2.9302 2.9545 2.9816 3.0006 3.2229 3.2721 3.3531 3.3650 3.4386 3.4728 3.6668 3.6743 3.7528 3.7531 4.1910 4.2115 4.2665 4.3678 4.3849 4.4098 4.4635 4.4778 4.4986 4.5094 4.5788 4.6040 4.7940 4.8178 4.8718 4.9209 4.9557 4.9625 5.0469 5.0833 5.7857 5.7863 5.9729 5.9731 6.0783 6.0816 8.1313 8.1995 8.2653 8.3223 8.3962 8.4044 8.5795 8.6553 8.6751 8.7529 8.9135 8.9262 12.0606 12.0797 k = 0.1098 0.1098-0.0000 ( 5958 PWs) bands (ev): -61.7094 -61.7094 -34.6222 -34.6222 -25.9686 -25.9686 -25.9684 -25.9683 -7.1243 -7.1241 -6.1547 -6.1493 -6.0633 -6.0623 -6.0431 -6.0387 0.7549 0.7630 0.7785 0.7865 1.2296 1.2311 2.2418 2.2426 2.3332 2.3338 2.3792 2.3809 2.9074 2.9123 2.9449 2.9665 2.9876 3.0037 3.2438 3.2834 3.3680 3.3825 3.4441 3.4721 3.6560 3.6635 3.7304 3.7308 4.1991 4.2149 4.2810 4.3828 4.3915 4.4057 4.4741 4.4826 4.5046 4.5073 4.5671 4.5941 4.7982 4.8142 4.8802 4.9308 4.9577 4.9642 5.0311 5.0636 5.8265 5.8279 5.9870 5.9870 6.0845 6.0879 8.1308 8.1934 8.2588 8.3077 8.3738 8.3823 8.5738 8.6383 8.6602 8.7243 8.8399 8.8502 12.0800 12.0990 k = 0.0976 0.0976-0.0000 ( 5948 PWs) bands (ev): -61.7094 -61.7094 -34.6222 -34.6222 -25.9685 -25.9685 -25.9683 -25.9683 -7.1348 -7.1346 -6.1493 -6.1454 -6.0570 -6.0561 -6.0408 -6.0378 0.7423 0.7494 0.7612 0.7684 1.2150 1.2161 2.2595 2.2601 2.3306 2.3314 2.3769 2.3783 2.9245 2.9298 2.9586 2.9770 2.9938 3.0066 3.2634 3.2941 3.3833 3.3990 3.4497 3.4713 3.6455 3.6525 3.7084 3.7093 4.2065 4.2183 4.2960 4.3945 4.4000 4.4022 4.4839 4.4862 4.5063 4.5104 4.5564 4.5845 4.8004 4.8107 4.8902 4.9399 4.9600 4.9659 5.0170 5.0454 5.8658 5.8676 5.9986 5.9989 6.0909 6.0942 8.1331 8.1895 8.2527 8.2935 8.3520 8.3611 8.5694 8.6224 8.6453 8.6947 8.7733 8.7779 12.1003 12.1189 k = 0.0854 0.0854-0.0000 ( 5954 PWs) bands (ev): -61.7094 -61.7094 -34.6222 -34.6222 -25.9684 -25.9684 -25.9683 -25.9683 -7.1441 -7.1440 -6.1447 -6.1419 -6.0514 -6.0506 -6.0387 -6.0368 0.7310 0.7372 0.7457 0.7520 1.2019 1.2027 2.2750 2.2753 2.3282 2.3290 2.3754 2.3764 2.9395 2.9446 2.9714 2.9862 3.0002 3.0093 3.2814 3.3042 3.3986 3.4144 3.4552 3.4706 3.6353 3.6415 3.6871 3.6884 4.2131 4.2215 4.3112 4.3995 4.4012 4.4109 4.4888 4.4924 4.5060 4.5159 4.5471 4.5751 4.8010 4.8073 4.9011 4.9482 4.9622 4.9677 5.0048 5.0289 5.9027 5.9046 6.0082 6.0087 6.0977 6.1007 8.1382 8.1883 8.2473 8.2798 8.3311 8.3410 8.5654 8.6069 8.6262 8.6624 8.7116 8.7203 12.1207 12.1383 k = 0.0732 0.0732-0.0000 ( 5952 PWs) bands (ev): -61.7094 -61.7094 -34.6222 -34.6222 -25.9684 -25.9684 -25.9683 -25.9683 -7.1522 -7.1521 -6.1407 -6.1389 -6.0464 -6.0457 -6.0368 -6.0358 0.7212 0.7265 0.7322 0.7376 1.1905 1.1910 2.2880 2.2882 2.3260 2.3268 2.3747 2.3754 2.9523 2.9568 2.9832 2.9945 3.0062 3.0118 3.2978 3.3137 3.4138 3.4287 3.4606 3.4703 3.6256 3.6308 3.6667 3.6682 4.2189 4.2246 4.3262 4.3977 4.4060 4.4201 4.4915 4.4998 4.5055 4.5209 4.5401 4.5658 4.8005 4.8040 4.9125 4.9554 4.9644 4.9693 4.9946 5.0142 5.9364 5.9381 6.0159 6.0164 6.1049 6.1074 8.1464 8.1900 8.2427 8.2672 8.3114 8.3222 8.5579 8.5887 8.5907 8.6381 8.6566 8.6850 12.1401 12.1537 k = 0.0610 0.0610-0.0000 ( 5970 PWs) bands (ev): -61.7095 -61.7095 -34.6222 -34.6222 -25.9683 -25.9683 -25.9683 -25.9683 -7.1591 -7.1591 -6.1374 -6.1363 -6.0422 -6.0415 -6.0353 -6.0349 0.7129 0.7172 0.7206 0.7252 1.1807 1.1809 2.2986 2.2987 2.3241 2.3248 2.3747 2.3751 2.9629 2.9662 2.9938 3.0023 3.0115 3.0141 3.3122 3.3224 3.4286 3.4418 3.4659 3.4705 3.6165 3.6205 3.6476 3.6490 4.2238 4.2273 4.3410 4.3969 4.4094 4.4263 4.4949 4.5043 4.5058 4.5253 4.5358 4.5567 4.7991 4.8010 4.9237 4.9615 4.9660 4.9705 4.9866 5.0016 5.9658 5.9672 6.0217 6.0222 6.1125 6.1143 8.1578 8.1949 8.2393 8.2560 8.2932 8.3049 8.5324 8.5370 8.5795 8.6223 8.6249 8.6607 12.1560 12.1622 k = 0.0488 0.0488-0.0000 ( 5992 PWs) bands (ev): -61.7095 -61.7095 -34.6222 -34.6222 -25.9683 -25.9683 -25.9683 -25.9683 -7.1648 -7.1648 -6.1348 -6.1343 -6.0386 -6.0381 -6.0340 -6.0340 0.7060 0.7095 0.7112 0.7148 1.1726 1.1727 2.3068 2.3068 2.3224 2.3230 2.3753 2.3755 2.9711 2.9732 3.0030 3.0092 3.0159 3.0163 3.3244 3.3301 3.4427 3.4536 3.4708 3.4713 3.6082 3.6109 3.6300 3.6312 4.2279 4.2297 4.3553 4.3971 4.4113 4.4289 4.4988 4.5032 4.5105 4.5287 4.5339 4.5477 4.7974 4.7983 4.9343 4.9661 4.9667 4.9711 4.9811 4.9912 5.9903 5.9912 6.0260 6.0264 6.1201 6.1213 8.1725 8.2031 8.2372 8.2469 8.2770 8.2893 8.4850 8.4881 8.5773 8.6062 8.6155 8.6419 12.1653 12.1664 k = 0.0366 0.0366-0.0000 ( 5991 PWs) bands (ev): -61.7095 -61.7095 -34.6222 -34.6222 -25.9683 -25.9683 -25.9683 -25.9683 -7.1692 -7.1692 -6.1328 -6.1326 -6.0358 -6.0354 -6.0333 -6.0331 0.7008 0.7034 0.7039 0.7066 1.1663 1.1663 2.3126 2.3127 2.3211 2.3216 2.3763 2.3764 2.9772 2.9782 3.0107 3.0151 3.0184 3.0191 3.3340 3.3367 3.4557 3.4640 3.4730 3.4750 3.6011 3.6027 3.6145 3.6154 4.2310 4.2318 4.3691 4.3982 4.4115 4.4277 4.5019 4.5050 4.5138 4.5312 4.5335 4.5391 4.7957 4.7960 4.9441 4.9661 4.9690 4.9712 4.9784 4.9834 6.0092 6.0097 6.0291 6.0294 6.1275 6.1280 8.1903 8.2142 8.2368 8.2402 8.2632 8.2756 8.4372 8.4410 8.5789 8.5983 8.6080 8.6265 12.1684 12.1685 k = 0.0244 0.0244-0.0000 ( 6019 PWs) bands (ev): -61.7095 -61.7095 -34.6222 -34.6222 -25.9683 -25.9683 -25.9683 -25.9683 -7.1724 -7.1724 -6.1315 -6.1314 -6.0338 -6.0335 -6.0327 -6.0324 0.6972 0.6987 0.6989 0.7005 1.1617 1.1617 2.3165 2.3166 2.3201 2.3205 2.3773 2.3774 2.9812 2.9815 3.0165 3.0193 3.0202 3.0212 3.3409 3.3417 3.4667 3.4723 3.4752 3.4780 3.5954 3.5961 3.6019 3.6024 4.2331 4.2334 4.3821 4.4002 4.4103 4.4229 4.5046 4.5091 4.5158 4.5301 4.5333 4.5336 4.7942 4.7943 4.9525 4.9649 4.9687 4.9708 4.9777 4.9789 6.0224 6.0226 6.0311 6.0313 6.1336 6.1338 8.2098 8.2261 8.2376 8.2381 8.2525 8.2640 8.3964 8.3987 8.5825 8.5945 8.6019 8.6136 12.1691 12.1692 k = 0.0122 0.0122-0.0000 ( 6031 PWs) bands (ev): -61.7095 -61.7095 -34.6223 -34.6223 -25.9684 -25.9684 -25.9683 -25.9683 -7.1743 -7.1743 -6.1307 -6.1307 -6.0325 -6.0324 -6.0322 -6.0321 0.6952 0.6958 0.6961 0.6967 1.1590 1.1590 2.3187 2.3188 2.3196 2.3197 2.3781 2.3781 2.9835 2.9835 3.0204 3.0215 3.0217 3.0223 3.3449 3.3450 3.4748 3.4774 3.4776 3.4794 3.5917 3.5919 3.5934 3.5936 4.2344 4.2344 4.3943 4.4027 4.4082 4.4152 4.5091 4.5127 4.5163 4.5224 4.5338 4.5339 4.7932 4.7932 4.9594 4.9642 4.9666 4.9687 4.9778 4.9779 6.0301 6.0302 6.0323 6.0323 6.1377 6.1378 8.2268 8.2309 8.2416 8.2438 8.2464 8.2546 8.3660 8.3665 8.5876 8.5934 8.5974 8.6030 12.1691 12.1691 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -61.7095 -61.7095 -34.6223 -34.6223 -25.9683 -25.9683 -25.9683 -25.9683 -7.1750 -7.1750 -6.1304 -6.1304 -6.0320 -6.0320 -6.0320 -6.0320 0.6950 0.6950 0.6950 0.6950 1.1581 1.1581 2.3194 2.3194 2.3194 2.3194 2.3784 2.3784 2.9842 2.9842 3.0222 3.0222 3.0222 3.0222 3.3462 3.3462 3.4788 3.4788 3.4788 3.4788 3.5904 3.5904 3.5904 3.5904 4.2348 4.2348 4.4055 4.4055 4.4055 4.4055 4.5153 4.5153 4.5153 4.5153 4.5340 4.5340 4.7929 4.7929 4.9648 4.9648 4.9648 4.9648 4.9778 4.9778 6.0327 6.0327 6.0327 6.0327 6.1392 6.1392 8.2318 8.2318 8.2476 8.2476 8.2476 8.2476 8.3536 8.3536 8.5945 8.5945 8.5945 8.5945 12.1691 12.1691 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -61.7095 -61.7095 -34.6223 -34.6223 -25.9683 -25.9683 -25.9683 -25.9683 -7.1750 -7.1750 -6.1304 -6.1304 -6.0320 -6.0320 -6.0320 -6.0320 0.6950 0.6950 0.6950 0.6950 1.1581 1.1581 2.3194 2.3194 2.3194 2.3194 2.3784 2.3784 2.9842 2.9842 3.0222 3.0222 3.0222 3.0222 3.3462 3.3462 3.4788 3.4788 3.4788 3.4788 3.5904 3.5904 3.5904 3.5904 4.2348 4.2348 4.4055 4.4055 4.4055 4.4055 4.5153 4.5153 4.5153 4.5153 4.5340 4.5340 4.7929 4.7929 4.9648 4.9648 4.9648 4.9648 4.9778 4.9778 6.0327 6.0327 6.0327 6.0327 6.1392 6.1392 8.2318 8.2318 8.2476 8.2476 8.2476 8.2476 8.3536 8.3536 8.5945 8.5945 8.5945 8.5945 12.1691 12.1691 k = 0.0100 0.0100 0.0100 ( 6031 PWs) bands (ev): -61.7095 -61.7095 -34.6223 -34.6223 -25.9683 -25.9683 -25.9683 -25.9683 -7.1743 -7.1743 -6.1307 -6.1307 -6.0324 -6.0323 -6.0323 -6.0322 0.6952 0.6959 0.6959 0.6967 1.1590 1.1590 2.3188 2.3188 2.3195 2.3197 2.3781 2.3781 2.9835 2.9835 3.0204 3.0217 3.0217 3.0221 3.3449 3.3449 3.4750 3.4776 3.4776 3.4790 3.5924 3.5924 3.5928 3.5931 4.2344 4.2344 4.3939 4.4055 4.4055 4.4155 4.5090 4.5144 4.5144 4.5228 4.5338 4.5338 4.7932 4.7932 4.9592 4.9655 4.9655 4.9687 4.9778 4.9778 6.0300 6.0300 6.0324 6.0324 6.1378 6.1378 8.2287 8.2287 8.2426 8.2446 8.2446 8.2548 8.3664 8.3664 8.5874 8.5954 8.5954 8.6033 12.1691 12.1691 k = 0.0200 0.0200 0.0200 ( 6019 PWs) bands (ev): -61.7095 -61.7095 -34.6222 -34.6222 -25.9684 -25.9683 -25.9683 -25.9683 -7.1724 -7.1724 -6.1315 -6.1315 -6.0333 -6.0331 -6.0331 -6.0328 0.6975 0.6988 0.6988 0.7004 1.1618 1.1618 2.3167 2.3167 2.3199 2.3203 2.3773 2.3773 2.9814 2.9814 3.0166 3.0201 3.0202 3.0202 3.3413 3.3413 3.4680 3.4739 3.4739 3.4757 3.5980 3.5980 3.5997 3.6006 4.2332 4.2332 4.3812 4.4055 4.4055 4.4233 4.5049 4.5119 4.5119 4.5311 4.5333 4.5333 4.7943 4.7943 4.9518 4.9670 4.9670 4.9709 4.9785 4.9785 6.0219 6.0219 6.0315 6.0317 6.1337 6.1337 8.2163 8.2163 8.2398 8.2455 8.2455 8.2643 8.3979 8.3979 8.5821 8.5983 8.5983 8.6140 12.1690 12.1690 k = 0.0300 0.0300 0.0300 ( 5995 PWs) bands (ev): -61.7095 -61.7095 -34.6222 -34.6222 -25.9683 -25.9683 -25.9683 -25.9683 -7.1692 -7.1692 -6.1327 -6.1327 -6.0347 -6.0345 -6.0345 -6.0340 0.7017 0.7037 0.7037 0.7060 1.1664 1.1664 2.3131 2.3131 2.3207 2.3212 2.3762 2.3762 2.9779 2.9779 3.0110 3.0160 3.0178 3.0178 3.3356 3.3356 3.4590 3.4682 3.4682 3.4700 3.6069 3.6069 3.6101 3.6117 4.2314 4.2314 4.3677 4.4054 4.4054 4.4277 4.5037 4.5080 4.5080 4.5324 4.5324 4.5400 4.7959 4.7959 4.9428 4.9674 4.9674 4.9714 4.9817 4.9817 6.0079 6.0079 6.0301 6.0304 6.1280 6.1280 8.2007 8.2007 8.2391 8.2516 8.2516 8.2760 8.4398 8.4398 8.5786 8.6036 8.6036 8.6265 12.1682 12.1682 k = 0.0400 0.0400 0.0400 ( 5983 PWs) bands (ev): -61.7095 -61.7095 -34.6222 -34.6222 -25.9683 -25.9683 -25.9683 -25.9683 -7.1647 -7.1647 -6.1345 -6.1345 -6.0366 -6.0364 -6.0364 -6.0357 0.7078 0.7104 0.7104 0.7136 1.1728 1.1728 2.3076 2.3076 2.3217 2.3225 2.3751 2.3751 2.9727 2.9727 3.0036 3.0100 3.0144 3.0144 3.3279 3.3279 3.4489 3.4608 3.4608 3.4629 3.6181 3.6181 3.6231 3.6254 4.2288 4.2288 4.3535 4.4051 4.4051 4.4283 4.5029 4.5029 4.5062 4.5311 4.5311 4.5490 4.7979 4.7979 4.9323 4.9655 4.9655 4.9703 4.9887 4.9887 5.9874 5.9874 6.0281 6.0286 6.1214 6.1214 8.1869 8.1869 8.2404 8.2607 8.2607 8.2896 8.4874 8.4874 8.5769 8.6123 8.6123 8.6408 12.1658 12.1658 k = 0.0500 0.0500 0.0500 ( 5962 PWs) bands (ev): -61.7095 -61.7095 -34.6222 -34.6222 -25.9683 -25.9683 -25.9683 -25.9683 -7.1590 -7.1590 -6.1367 -6.1367 -6.0390 -6.0388 -6.0388 -6.0378 0.7158 0.7189 0.7189 0.7230 1.1809 1.1809 2.3000 2.3000 2.3231 2.3240 2.3742 2.3742 2.9660 2.9660 2.9945 3.0021 3.0104 3.0104 3.3187 3.3187 3.4384 3.4519 3.4519 3.4551 3.6312 3.6312 3.6379 3.6407 4.2257 4.2257 4.3389 4.4044 4.4044 4.4254 4.4967 4.4967 4.5120 4.5294 4.5294 4.5582 4.8002 4.8002 4.9206 4.9625 4.9625 4.9680 4.9988 4.9988 5.9605 5.9605 6.0254 6.0262 6.1146 6.1146 8.1763 8.1763 8.2433 8.2722 8.2722 8.3049 8.5359 8.5359 8.5771 8.6277 8.6277 8.6569 12.1615 12.1615 k = 0.0600 0.0600 0.0600 ( 5956 PWs) bands (ev): -61.7094 -61.7094 -34.6222 -34.6222 -25.9684 -25.9684 -25.9683 -25.9683 -7.1520 -7.1520 -6.1395 -6.1395 -6.0420 -6.0417 -6.0417 -6.0405 0.7256 0.7293 0.7293 0.7343 1.1908 1.1908 2.2901 2.2901 2.3248 2.3259 2.3737 2.3737 2.9576 2.9576 2.9838 2.9922 3.0057 3.0057 3.3082 3.3082 3.4279 3.4418 3.4418 3.4470 3.6456 3.6456 3.6541 3.6572 4.2219 4.2219 4.3238 4.4033 4.4033 4.4200 4.4897 4.4897 4.5200 4.5275 4.5275 4.5673 4.8025 4.8025 4.9079 4.9586 4.9586 4.9644 5.0116 5.0116 5.9277 5.9277 6.0220 6.0231 6.1079 6.1079 8.1690 8.1690 8.2476 8.2856 8.2856 8.3214 8.5761 8.5761 8.5792 8.6580 8.6580 8.6747 12.1553 12.1553 k = 0.0700 0.0700 0.0700 ( 5956 PWs) bands (ev): -61.7094 -61.7094 -34.6222 -34.6222 -25.9684 -25.9684 -25.9683 -25.9683 -7.1437 -7.1437 -6.1427 -6.1427 -6.0453 -6.0452 -6.0452 -6.0437 0.7373 0.7413 0.7413 0.7474 1.2023 1.2023 2.2779 2.2779 2.3269 2.3280 2.3738 2.3738 2.9474 2.9474 2.9714 2.9805 3.0005 3.0005 3.2965 3.2965 3.4177 3.4305 3.4305 3.4388 3.6610 3.6610 3.6713 3.6744 4.2176 4.2176 4.3084 4.4014 4.4014 4.4129 4.4822 4.4822 4.5255 4.5255 4.5294 4.5764 4.8049 4.8049 4.8946 4.9543 4.9543 4.9601 5.0268 5.0268 5.8898 5.8898 6.0179 6.0194 6.1012 6.1012 8.1650 8.1650 8.2531 8.3006 8.3006 8.3388 8.5836 8.6018 8.6018 8.6944 8.7086 8.7086 12.1476 12.1476 k = 0.0800 0.0800 0.0800 ( 5953 PWs) bands (ev): -61.7094 -61.7094 -34.6222 -34.6222 -25.9684 -25.9684 -25.9684 -25.9684 -7.1343 -7.1343 -6.1463 -6.1463 -6.0492 -6.0491 -6.0491 -6.0473 0.7506 0.7551 0.7551 0.7622 1.2154 1.2154 2.2633 2.2633 2.3293 2.3305 2.3745 2.3745 2.9355 2.9355 2.9577 2.9671 2.9949 2.9949 3.2839 3.2839 3.4077 3.4182 3.4182 3.4308 3.6771 3.6771 3.6894 3.6920 4.2129 4.2129 4.2927 4.3986 4.3986 4.4049 4.4744 4.4744 4.5237 4.5237 4.5396 4.5853 4.8071 4.8071 4.8809 4.9499 4.9499 4.9552 5.0444 5.0444 5.8476 5.8476 6.0130 6.0150 6.0944 6.0944 8.1642 8.1642 8.2594 8.3168 8.3168 8.3566 8.5903 8.6200 8.6200 8.7158 8.7720 8.7720 12.1390 12.1390 k = 0.0900 0.0900 0.0900 ( 5941 PWs) bands (ev): -61.7094 -61.7094 -34.6222 -34.6222 -25.9684 -25.9684 -25.9684 -25.9684 -7.1237 -7.1237 -6.1504 -6.1504 -6.0534 -6.0534 -6.0534 -6.0513 0.7656 0.7704 0.7704 0.7786 1.2300 1.2300 2.2465 2.2465 2.3320 2.3333 2.3757 2.3757 2.9220 2.9220 2.9427 2.9521 2.9888 2.9888 3.2703 3.2703 3.3983 3.4050 3.4050 3.4229 3.6936 3.6936 3.7082 3.7100 4.2080 4.2080 4.2769 4.3945 4.3945 4.3964 4.4668 4.4668 4.5223 4.5223 4.5500 4.5940 4.8092 4.8092 4.8674 4.9456 4.9456 4.9500 5.0642 5.0642 5.8021 5.8021 6.0073 6.0099 6.0874 6.0874 8.1663 8.1663 8.2664 8.3336 8.3336 8.3741 8.5996 8.6365 8.6365 8.7388 8.8416 8.8416 12.1298 12.1298 k = 0.1000 0.1000 0.1000 ( 5944 PWs) bands (ev): -61.7094 -61.7094 -34.6222 -34.6222 -25.9685 -25.9685 -25.9685 -25.9685 -7.1119 -7.1119 -6.1548 -6.1548 -6.0582 -6.0582 -6.0581 -6.0558 0.7821 0.7872 0.7872 0.7966 1.2459 1.2459 2.2277 2.2277 2.3350 2.3363 2.3775 2.3775 2.9070 2.9070 2.9264 2.9357 2.9824 2.9824 3.2556 3.2556 3.3892 3.3912 3.3912 3.4152 3.7104 3.7104 3.7276 3.7280 4.2028 4.2028 4.2610 4.3876 4.3890 4.3890 4.4595 4.4595 4.5212 4.5212 4.5605 4.6023 4.8112 4.8112 4.8541 4.9413 4.9413 4.9449 5.0859 5.0859 5.7540 5.7540 6.0008 6.0040 6.0799 6.0799 8.1712 8.1712 8.2736 8.3508 8.3508 8.3907 8.6118 8.6537 8.6537 8.7633 8.9144 8.9144 12.1200 12.1200 k = 0.1100 0.1100 0.1100 ( 5950 PWs) bands (ev): -61.7094 -61.7094 -34.6222 -34.6222 -25.9686 -25.9686 -25.9686 -25.9686 -7.0991 -7.0991 -6.1597 -6.1597 -6.0634 -6.0634 -6.0631 -6.0607 0.8001 0.8053 0.8053 0.8160 1.2631 1.2631 2.2068 2.2068 2.3383 2.3396 2.3796 2.3796 2.8906 2.8906 2.9091 2.9180 2.9756 2.9756 3.2397 3.2397 3.3769 3.3769 3.3805 3.4076 3.7273 3.7273 3.7460 3.7473 4.1976 4.1976 4.2452 4.3788 4.3821 4.3821 4.4528 4.4528 4.5208 4.5208 4.5707 4.6102 4.8130 4.8130 4.8416 4.9373 4.9373 4.9400 5.1097 5.1097 5.7041 5.7041 5.9935 5.9974 6.0719 6.0719 8.1787 8.1787 8.2810 8.3680 8.3680 8.4061 8.6268 8.6724 8.6724 8.7892 8.9890 8.9890 12.1095 12.1095 k = 0.1200 0.1200 0.1200 ( 5959 PWs) bands (ev): -61.7094 -61.7094 -34.6223 -34.6223 -25.9686 -25.9686 -25.9686 -25.9686 -7.0851 -7.0851 -6.1649 -6.1649 -6.0690 -6.0690 -6.0685 -6.0659 0.8193 0.8247 0.8247 0.8367 1.2815 1.2815 2.1839 2.1839 2.3420 2.3432 2.3821 2.3821 2.8731 2.8731 2.8910 2.8992 2.9686 2.9686 3.2225 3.2225 3.3624 3.3624 3.3721 3.4001 3.7440 3.7440 3.7639 3.7674 4.1925 4.1925 4.2297 4.3702 4.3738 4.3738 4.4468 4.4468 4.5209 4.5209 4.5805 4.6177 4.8148 4.8148 4.8302 4.9334 4.9334 4.9356 5.1352 5.1352 5.6529 5.6529 5.9854 5.9900 6.0633 6.0633 8.1883 8.1883 8.2883 8.3849 8.3849 8.4198 8.6448 8.6929 8.6929 8.8163 9.0644 9.0644 12.0979 12.0979 k = 0.1300 0.1300 0.1300 ( 5953 PWs) bands (ev): -61.7094 -61.7094 -34.6223 -34.6223 -25.9687 -25.9687 -25.9687 -25.9687 -7.0701 -7.0701 -6.1704 -6.1704 -6.0749 -6.0749 -6.0743 -6.0715 0.8398 0.8452 0.8452 0.8586 1.3008 1.3008 2.1594 2.1594 2.3460 2.3470 2.3849 2.3849 2.8546 2.8546 2.8721 2.8796 2.9612 2.9612 3.2038 3.2038 3.3480 3.3480 3.3639 3.3926 3.7605 3.7605 3.7815 3.7876 4.1875 4.1875 4.2146 4.3620 4.3645 4.3645 4.4414 4.4414 4.5217 4.5217 4.5895 4.6246 4.8167 4.8167 4.8202 4.9298 4.9298 4.9321 5.1623 5.1623 5.6011 5.6011 5.9765 5.9819 6.0542 6.0542 8.2000 8.2000 8.2952 8.4015 8.4015 8.4317 8.6657 8.7153 8.7153 8.8444 9.1396 9.1396 12.0852 12.0852 k = 0.1400 0.1400 0.1400 ( 5956 PWs) bands (ev): -61.7094 -61.7094 -34.6223 -34.6223 -25.9688 -25.9688 -25.9688 -25.9688 -7.0541 -7.0541 -6.1762 -6.1762 -6.0811 -6.0811 -6.0803 -6.0774 0.8614 0.8667 0.8667 0.8816 1.3209 1.3209 2.1333 2.1333 2.3502 2.3511 2.3880 2.3880 2.8353 2.8353 2.8526 2.8593 2.9537 2.9537 3.1834 3.1834 3.3340 3.3340 3.3560 3.3851 3.7766 3.7766 3.7987 3.8079 4.1829 4.1829 4.2001 4.3544 4.3545 4.3545 4.4366 4.4366 4.5232 4.5232 4.5977 4.6310 4.8120 4.8186 4.8186 4.9263 4.9263 4.9293 5.1910 5.1910 5.5490 5.5490 5.9670 5.9731 6.0444 6.0444 8.2134 8.2134 8.3018 8.4177 8.4177 8.4419 8.6890 8.7396 8.7396 8.8734 9.2141 9.2141 12.0711 12.0711 k = 0.1500 0.1500 0.1500 ( 5965 PWs) bands (ev): -61.7094 -61.7094 -34.6223 -34.6223 -25.9689 -25.9689 -25.9689 -25.9689 -7.0372 -7.0372 -6.1824 -6.1824 -6.0876 -6.0876 -6.0867 -6.0836 0.8838 0.8889 0.8889 0.9054 1.3416 1.3416 2.1057 2.1057 2.3547 2.3553 2.3914 2.3914 2.8155 2.8155 2.8328 2.8385 2.9459 2.9459 3.1613 3.1613 3.3204 3.3204 3.3481 3.3775 3.7922 3.7922 3.8155 3.8280 4.1786 4.1786 4.1863 4.3443 4.3443 4.3474 4.4322 4.4322 4.5252 4.5252 4.6046 4.6368 4.8058 4.8206 4.8206 4.9229 4.9229 4.9276 5.2211 5.2211 5.4972 5.4972 5.9567 5.9636 6.0342 6.0342 8.2282 8.2282 8.3078 8.4338 8.4338 8.4503 8.7143 8.7657 8.7657 8.9030 9.2871 9.2871 12.0556 12.0556 k = 0.1600 0.1600 0.1600 ( 5965 PWs) bands (ev): -61.7094 -61.7094 -34.6223 -34.6223 -25.9690 -25.9690 -25.9689 -25.9689 -7.0193 -7.0193 -6.1887 -6.1887 -6.0944 -6.0944 -6.0933 -6.0901 0.9070 0.9118 0.9118 0.9300 1.3627 1.3627 2.0770 2.0770 2.3595 2.3598 2.3949 2.3949 2.7954 2.7954 2.8128 2.8175 2.9379 2.9379 3.1377 3.1377 3.3073 3.3073 3.3402 3.3697 3.8071 3.8071 3.8317 3.8479 4.1737 4.1748 4.1748 4.3341 4.3341 4.3414 4.4282 4.4282 4.5278 4.5278 4.6101 4.6420 4.8020 4.8228 4.8228 4.9194 4.9194 4.9269 5.2524 5.2524 5.4458 5.4458 5.9460 5.9536 6.0235 6.0235 8.2438 8.2438 8.3132 8.4499 8.4499 8.4572 8.7414 8.7932 8.7932 8.9331 9.3580 9.3580 12.0390 12.0390 k = 0.1700 0.1700 0.1700 ( 5953 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9690 -25.9690 -25.9690 -25.9690 -7.0007 -7.0007 -6.1953 -6.1953 -6.1014 -6.1014 -6.1000 -6.0967 0.9308 0.9352 0.9352 0.9552 1.3840 1.3840 2.0473 2.0473 2.3644 2.3646 2.3986 2.3986 2.7754 2.7754 2.7927 2.7965 2.9297 2.9297 3.1126 3.1126 3.2947 3.2947 3.3322 3.3617 3.8213 3.8213 3.8473 3.8672 4.1624 4.1716 4.1716 4.3244 4.3244 4.3364 4.4245 4.4245 4.5309 4.5309 4.6140 4.6466 4.8008 4.8252 4.8252 4.9159 4.9159 4.9275 5.2848 5.2848 5.3954 5.3954 5.9348 5.9432 6.0125 6.0125 8.2599 8.2599 8.3179 8.4627 8.4666 8.4666 8.7698 8.8221 8.8221 8.9636 9.4264 9.4264 12.0217 12.0217 k = 0.1800 0.1800 0.1800 ( 5974 PWs) bands (ev): -61.7095 -61.7095 -34.6224 -34.6224 -25.9691 -25.9691 -25.9691 -25.9691 -6.9812 -6.9812 -6.2021 -6.2021 -6.1086 -6.1086 -6.1070 -6.1036 0.9550 0.9588 0.9588 0.9807 1.4050 1.4050 2.0169 2.0169 2.3692 2.3699 2.4024 2.4024 2.7556 2.7556 2.7729 2.7758 2.9214 2.9214 3.0864 3.0864 3.2827 3.2827 3.3241 3.3534 3.8345 3.8345 3.8622 3.8857 4.1526 4.1688 4.1688 4.3152 4.3152 4.3324 4.4209 4.4209 4.5344 4.5344 4.6162 4.6505 4.8021 4.8275 4.8275 4.9120 4.9120 4.9290 5.3178 5.3178 5.3465 5.3465 5.9233 5.9324 6.0012 6.0012 8.2760 8.2760 8.3218 8.4669 8.4841 8.4841 8.7991 8.8520 8.8520 8.9942 9.4919 9.4919 12.0038 12.0038 k = 0.1900 0.1900 0.1900 ( 5965 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9692 -25.9692 -25.9692 -25.9692 -6.9610 -6.9610 -6.2090 -6.2090 -6.1159 -6.1159 -6.1142 -6.1107 0.9795 0.9824 0.9824 1.0064 1.4255 1.4255 1.9858 1.9858 2.3741 2.3754 2.4062 2.4062 2.7364 2.7364 2.7534 2.7555 2.9130 2.9130 3.0593 3.0593 3.2711 3.2711 3.3158 3.3448 3.8469 3.8469 3.8765 3.9033 4.1447 4.1667 4.1667 4.3068 4.3068 4.3296 4.4176 4.4176 4.5384 4.5384 4.6168 4.6538 4.8058 4.8299 4.8299 4.9079 4.9079 4.9317 5.2978 5.2978 5.3531 5.3531 5.9117 5.9214 5.9897 5.9897 8.2914 8.2914 8.3250 8.4701 8.5031 8.5031 8.8290 8.8828 8.8828 9.0249 9.5541 9.5541 11.9818 11.9856 k = 0.2000 0.2000 0.2000 ( 5962 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9693 -25.9693 -25.9693 -25.9693 -6.9401 -6.9401 -6.2160 -6.2160 -6.1233 -6.1233 -6.1214 -6.1179 1.0039 1.0059 1.0059 1.0321 1.4450 1.4450 1.9546 1.9546 2.3791 2.3811 2.4100 2.4100 2.7182 2.7182 2.7347 2.7361 2.9044 2.9044 3.0319 3.0319 3.2598 3.2598 3.3072 3.3359 3.8583 3.8583 3.8901 3.9195 4.1390 4.1652 4.1652 4.2994 4.2994 4.3281 4.4145 4.4145 4.5426 4.5426 4.6159 4.6566 4.8118 4.8321 4.8321 4.9035 4.9035 4.9353 5.2520 5.2520 5.3881 5.3881 5.9001 5.9105 5.9783 5.9783 8.3056 8.3056 8.3274 8.4722 8.5239 8.5239 8.8594 8.9140 8.9140 9.0555 9.6128 9.6128 11.9500 11.9583 k = 0.2100 0.2100 0.2100 ( 5968 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6225 -25.9694 -25.9694 -25.9694 -25.9694 -6.9187 -6.9187 -6.2232 -6.2232 -6.1308 -6.1308 -6.1288 -6.1252 1.0282 1.0290 1.0290 1.0575 1.4631 1.4631 1.9236 1.9236 2.3840 2.3870 2.4137 2.4137 2.7011 2.7011 2.7168 2.7176 2.8957 2.8957 3.0045 3.0045 3.2488 3.2488 3.2984 3.3266 3.8688 3.8688 3.9031 3.9342 4.1358 4.1641 4.1641 4.2930 4.2930 4.3278 4.4115 4.4115 4.5471 4.5471 4.6137 4.6587 4.8195 4.8336 4.8336 4.8989 4.8989 4.9398 5.2082 5.2082 5.4239 5.4239 5.8887 5.8996 5.9671 5.9671 8.3182 8.3182 8.3290 8.4734 8.5469 8.5469 8.8901 8.9456 8.9456 9.0858 9.6679 9.6679 11.9143 11.9249 k = 0.2200 0.2200 0.2200 ( 5962 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6225 -25.9695 -25.9695 -25.9695 -25.9695 -6.8967 -6.8967 -6.2304 -6.2304 -6.1384 -6.1384 -6.1362 -6.1326 1.0515 1.0515 1.0521 1.0825 1.4793 1.4793 1.8930 1.8930 2.3890 2.3929 2.4173 2.4173 2.6855 2.6855 2.7001 2.7005 2.8869 2.8869 2.9776 2.9776 3.2380 3.2380 3.2893 3.3169 3.8785 3.8785 3.9155 3.9471 4.1352 4.1635 4.1635 4.2877 4.2877 4.3286 4.4087 4.4087 4.5517 4.5517 4.6106 4.6604 4.8287 4.8339 4.8339 4.8943 4.8943 4.9450 5.1669 5.1669 5.4604 5.4604 5.8779 5.8892 5.9563 5.9563 8.3291 8.3291 8.3300 8.4737 8.5720 8.5720 8.9207 8.9772 8.9772 9.1157 9.7195 9.7195 11.8744 11.8876 k = 0.2300 0.2300 0.2300 ( 5956 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6225 -25.9696 -25.9696 -25.9695 -25.9695 -6.8743 -6.8743 -6.2376 -6.2376 -6.1460 -6.1460 -6.1437 -6.1400 1.0731 1.0731 1.0754 1.1068 1.4928 1.4928 1.8634 1.8634 2.3940 2.3989 2.4206 2.4206 2.6717 2.6717 2.6847 2.6849 2.8778 2.8778 2.9519 2.9519 3.2273 3.2273 3.2798 3.3069 3.8874 3.8874 3.9275 3.9582 4.1373 4.1633 4.1633 4.2835 4.2835 4.3305 4.4061 4.4061 4.5565 4.5565 4.6066 4.6615 4.8320 4.8320 4.8390 4.8903 4.8903 4.9507 5.1285 5.1285 5.4973 5.4973 5.8678 5.8794 5.9461 5.9461 8.3302 8.3381 8.3381 8.4731 8.5994 8.5994 8.9513 9.0087 9.0087 9.1450 9.7676 9.7676 11.8303 11.8460 k = 0.2400 0.2400 0.2400 ( 5953 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6225 -25.9697 -25.9697 -25.9696 -25.9696 -6.8515 -6.8515 -6.2449 -6.2449 -6.1535 -6.1535 -6.1511 -6.1474 1.0937 1.0937 1.0980 1.1302 1.5030 1.5030 1.8353 1.8353 2.3989 2.4050 2.4238 2.4238 2.6600 2.6600 2.6709 2.6711 2.8683 2.8683 2.9280 2.9280 3.2167 3.2167 3.2700 3.2966 3.8956 3.8956 3.9391 3.9674 4.1420 4.1634 4.1634 4.2802 4.2802 4.3333 4.4036 4.4036 4.5612 4.5612 4.6020 4.6622 4.8270 4.8270 4.8498 4.8873 4.8873 4.9568 5.0934 5.0934 5.5345 5.5345 5.8587 5.8705 5.9369 5.9369 8.3298 8.3452 8.3452 8.4718 8.6287 8.6287 8.9816 9.0399 9.0399 9.1737 9.8126 9.8126 11.7817 11.8000 k = 0.2500 0.2500 0.2500 ( 5950 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6225 -25.9698 -25.9698 -25.9697 -25.9697 -6.8284 -6.8284 -6.2521 -6.2521 -6.1611 -6.1611 -6.1585 -6.1548 1.1131 1.1131 1.1195 1.1524 1.5091 1.5091 1.8092 1.8092 2.4037 2.4110 2.4267 2.4267 2.6505 2.6505 2.6588 2.6592 2.8582 2.8582 2.9065 2.9065 3.2061 3.2061 3.2600 3.2859 3.9032 3.9032 3.9505 3.9750 4.1490 4.1636 4.1636 4.2778 4.2778 4.3369 4.4012 4.4012 4.5657 4.5657 4.5969 4.6623 4.8183 4.8183 4.8609 4.8854 4.8854 4.9629 5.0623 5.0623 5.5719 5.5719 5.8508 5.8628 5.9287 5.9287 8.3288 8.3508 8.3508 8.4697 8.6596 8.6596 9.0115 9.0704 9.0704 9.2016 9.8546 9.8546 11.7287 11.7495 k = 0.2600 0.2600 0.2600 ( 5968 PWs) bands (ev): -61.7094 -61.7094 -34.6226 -34.6226 -25.9699 -25.9699 -25.9698 -25.9698 -6.8052 -6.8052 -6.2593 -6.2593 -6.1685 -6.1685 -6.1659 -6.1622 1.1309 1.1309 1.1399 1.1733 1.5106 1.5106 1.7856 1.7856 2.4084 2.4170 2.4295 2.4295 2.6433 2.6433 2.6487 2.6495 2.8472 2.8472 2.8883 2.8883 3.1956 3.1956 3.2496 3.2749 3.9103 3.9103 3.9617 3.9815 4.1578 4.1641 4.1641 4.2762 4.2762 4.3411 4.3990 4.3990 4.5699 4.5699 4.5913 4.6620 4.8057 4.8057 4.8717 4.8841 4.8841 4.9687 5.0354 5.0354 5.6093 5.6093 5.8446 5.8565 5.9219 5.9219 8.3274 8.3549 8.3549 8.4670 8.6916 8.6916 9.0407 9.1002 9.1002 9.2284 9.8942 9.8942 11.6715 11.6946 k = 0.2700 0.2700 0.2700 ( 5953 PWs) bands (ev): -61.7094 -61.7094 -34.6226 -34.6226 -25.9700 -25.9700 -25.9699 -25.9699 -6.7818 -6.7818 -6.2664 -6.2664 -6.1758 -6.1758 -6.1732 -6.1695 1.1472 1.1472 1.1589 1.1927 1.5071 1.5071 1.7646 1.7646 2.4133 2.4230 2.4323 2.4323 2.6385 2.6385 2.6407 2.6419 2.8357 2.8357 2.8736 2.8736 3.1851 3.1851 3.2389 3.2636 3.9172 3.9172 3.9730 3.9873 4.1647 4.1647 4.1681 4.2752 4.2752 4.3458 4.3969 4.3969 4.5738 4.5738 4.5854 4.6612 4.7898 4.7898 4.8821 4.8826 4.8826 4.9741 5.0132 5.0132 5.6468 5.6468 5.8404 5.8522 5.9169 5.9169 8.3256 8.3578 8.3578 8.4638 8.7244 8.7244 9.0692 9.1289 9.1289 9.2541 9.9316 9.9316 11.6101 11.6354 k = 0.2800 0.2800 0.2800 ( 5950 PWs) bands (ev): -61.7094 -61.7094 -34.6226 -34.6226 -25.9700 -25.9700 -25.9700 -25.9700 -6.7584 -6.7584 -6.2734 -6.2734 -6.1830 -6.1830 -6.1803 -6.1767 1.1617 1.1617 1.1764 1.2104 1.4985 1.4985 1.7461 1.7461 2.4182 2.4290 2.4353 2.4353 2.6349 2.6361 2.6361 2.6366 2.8242 2.8242 2.8619 2.8619 3.1746 3.1746 3.2281 3.2521 3.9238 3.9238 3.9844 3.9928 4.1655 4.1655 4.1791 4.2747 4.2747 4.3508 4.3949 4.3949 4.5772 4.5772 4.5791 4.6600 4.7714 4.7714 4.8799 4.8799 4.8916 4.9786 4.9957 4.9957 5.6840 5.6840 5.8384 5.8500 5.9139 5.9139 8.3234 8.3597 8.3597 8.4600 8.7575 8.7575 9.0968 9.1564 9.1564 9.2783 9.9675 9.9675 11.5451 11.5722 k = 0.2900 0.2900 0.2900 ( 5950 PWs) bands (ev): -61.7094 -61.7094 -34.6226 -34.6226 -25.9701 -25.9701 -25.9701 -25.9701 -6.7351 -6.7351 -6.2803 -6.2803 -6.1901 -6.1901 -6.1873 -6.1838 1.1743 1.1743 1.1923 1.2263 1.4854 1.4854 1.7295 1.7295 2.4233 2.4350 2.4386 2.4386 2.6312 2.6335 2.6358 2.6358 2.8140 2.8140 2.8526 2.8526 3.1641 3.1641 3.2170 3.2404 3.9302 3.9302 3.9960 3.9984 4.1664 4.1664 4.1906 4.2745 4.2745 4.3560 4.3929 4.3929 4.5725 4.5799 4.5799 4.6583 4.7516 4.7516 4.8753 4.8753 4.8998 4.9819 4.9826 4.9826 5.7208 5.7208 5.8390 5.8501 5.9132 5.9132 8.3211 8.3608 8.3608 8.4558 8.7905 8.7905 9.1231 9.1824 9.1824 9.3009 10.0020 10.0020 11.4768 11.5055 k = 0.3000 0.3000 0.3000 ( 5950 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9702 -25.9702 -25.9702 -25.9702 -6.7120 -6.7120 -6.2871 -6.2871 -6.1969 -6.1969 -6.1942 -6.1908 1.1849 1.1849 1.2066 1.2402 1.4688 1.4688 1.7138 1.7138 2.4288 2.4411 2.4424 2.4424 2.6296 2.6324 2.6374 2.6374 2.8059 2.8059 2.8451 2.8451 3.1537 3.1537 3.2057 3.2285 3.9366 3.9366 4.0043 4.0080 4.1676 4.1676 4.2023 4.2745 4.2745 4.3613 4.3910 4.3910 4.5657 4.5818 4.5818 4.6562 4.7310 4.7310 4.8685 4.8685 4.9065 4.9730 4.9730 4.9838 5.7571 5.7571 5.8423 5.8530 5.9151 5.9151 8.3187 8.3612 8.3612 8.4512 8.8232 8.8232 9.1480 9.2065 9.2065 9.3217 10.0358 10.0358 11.4059 11.4360 k = 0.3100 0.3100 0.3100 ( 5962 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9703 -25.9703 -25.9703 -25.9703 -6.6891 -6.6891 -6.2937 -6.2937 -6.2036 -6.2036 -6.2009 -6.1975 1.1936 1.1936 1.2191 1.2522 1.4496 1.4496 1.6982 1.6982 2.4348 2.4468 2.4468 2.4474 2.6300 2.6332 2.6408 2.6408 2.8001 2.8001 2.8391 2.8391 3.1433 3.1433 3.1943 3.2165 3.9428 3.9428 4.0107 4.0202 4.1690 4.1690 4.2139 4.2746 4.2746 4.3666 4.3891 4.3891 4.5586 4.5826 4.5826 4.6536 4.7108 4.7108 4.8597 4.8597 4.9114 4.9660 4.9660 4.9840 5.7926 5.7926 5.8486 5.8588 5.9199 5.9199 8.3163 8.3612 8.3612 8.4465 8.8552 8.8552 9.1713 9.2286 9.2286 9.3402 10.0690 10.0690 11.3332 11.3643 k = 0.3200 0.3200 0.3200 ( 5956 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9704 -25.9704 -25.9704 -25.9704 -6.6666 -6.6666 -6.3002 -6.3002 -6.2100 -6.2100 -6.2073 -6.2041 1.2004 1.2004 1.2299 1.2623 1.4290 1.4290 1.6818 1.6818 2.4414 2.4522 2.4522 2.4539 2.6322 2.6357 2.6456 2.6456 2.7966 2.7966 2.8349 2.8349 3.1330 3.1330 3.1829 3.2045 3.9490 3.9490 4.0178 4.0330 4.1706 4.1706 4.2253 4.2747 4.2747 4.3717 4.3871 4.3871 4.5512 4.5821 4.5821 4.6507 4.6918 4.6918 4.8492 4.8492 4.9143 4.9604 4.9604 4.9823 5.8271 5.8271 5.8581 5.8676 5.9279 5.9279 8.3140 8.3609 8.3609 8.4416 8.8862 8.8862 9.1925 9.2484 9.2484 9.3563 10.1019 10.1019 11.2594 11.2914 k = 0.3300 0.3300 0.3300 ( 5962 PWs) bands (ev): -61.7094 -61.7094 -34.6228 -34.6228 -25.9705 -25.9705 -25.9705 -25.9705 -6.6446 -6.6446 -6.3064 -6.3064 -6.2161 -6.2161 -6.2136 -6.2104 1.2052 1.2052 1.2390 1.2704 1.4078 1.4078 1.6642 1.6642 2.4486 2.4584 2.4584 2.4609 2.6360 2.6397 2.6517 2.6517 2.7946 2.7946 2.8329 2.8329 3.1228 3.1228 3.1715 3.1924 3.9551 3.9551 4.0256 4.0461 4.1725 4.1725 4.2362 4.2746 4.2746 4.3766 4.3849 4.3849 4.5437 4.5800 4.5800 4.6472 4.6750 4.6750 4.8376 4.8376 4.9152 4.9553 4.9553 4.9786 5.8602 5.8602 5.8705 5.8795 5.9393 5.9393 8.3120 8.3604 8.3604 8.4367 8.9160 8.9160 9.2115 9.2654 9.2654 9.3696 10.1348 10.1348 11.1855 11.2182 k = 0.3400 0.3400 0.3400 ( 5968 PWs) bands (ev): -61.7094 -61.7094 -34.6228 -34.6228 -25.9706 -25.9706 -25.9706 -25.9706 -6.6231 -6.6231 -6.3124 -6.3124 -6.2220 -6.2220 -6.2195 -6.2165 1.2082 1.2082 1.2464 1.2767 1.3867 1.3867 1.6451 1.6451 2.4565 2.4654 2.4654 2.4682 2.6412 2.6448 2.6587 2.6587 2.7931 2.7931 2.8341 2.8341 3.1127 3.1127 3.1601 3.1804 3.9611 3.9611 4.0342 4.0598 4.1748 4.1748 4.2467 4.2744 4.2744 4.3813 4.3827 4.3827 4.5360 4.5760 4.5760 4.6434 4.6610 4.6610 4.8251 4.8251 4.9139 4.9498 4.9498 4.9729 5.8859 5.8916 5.8916 5.8942 5.9543 5.9543 8.3104 8.3598 8.3598 8.4318 8.9444 8.9444 9.2278 9.2796 9.2796 9.3797 10.1677 10.1677 11.1124 11.1456 k = 0.3500 0.3500 0.3500 ( 5962 PWs) bands (ev): -61.7094 -61.7094 -34.6228 -34.6228 -25.9707 -25.9707 -25.9707 -25.9707 -6.6022 -6.6022 -6.3182 -6.3182 -6.2276 -6.2276 -6.2252 -6.2223 1.2095 1.2095 1.2523 1.2813 1.3664 1.3664 1.6245 1.6245 2.4651 2.4732 2.4732 2.4760 2.6474 2.6510 2.6664 2.6664 2.7914 2.7914 2.8388 2.8388 3.1029 3.1029 3.1488 3.1684 3.9670 3.9670 4.0438 4.0739 4.1774 4.1774 4.2566 4.2740 4.2740 4.3802 4.3802 4.3855 4.5282 4.5702 4.5702 4.6392 4.6503 4.6503 4.8119 4.8119 4.9107 4.9436 4.9436 4.9652 5.9041 5.9118 5.9209 5.9209 5.9730 5.9730 8.3093 8.3594 8.3594 8.4271 8.9713 8.9713 9.2412 9.2905 9.2905 9.3865 10.2007 10.2007 11.0410 11.0746 k = 0.3600 0.3600 0.3600 ( 5962 PWs) bands (ev): -61.7094 -61.7094 -34.6228 -34.6228 -25.9707 -25.9707 -25.9707 -25.9707 -6.5821 -6.5821 -6.3238 -6.3238 -6.2328 -6.2328 -6.2306 -6.2279 1.2091 1.2091 1.2569 1.2844 1.3472 1.3472 1.6025 1.6025 2.4743 2.4817 2.4817 2.4842 2.6546 2.6580 2.6746 2.6746 2.7891 2.7891 2.8468 2.8468 3.0933 3.0933 3.1377 3.1566 3.9725 3.9725 4.0541 4.0884 4.1804 4.1804 4.2660 4.2734 4.2734 4.3774 4.3774 4.3893 4.5205 4.5630 4.5630 4.6346 4.6427 4.6427 4.7984 4.7984 4.9056 4.9362 4.9362 4.9557 5.9247 5.9317 5.9481 5.9481 5.9950 5.9950 8.3088 8.3590 8.3590 8.4227 8.9967 8.9967 9.2515 9.2980 9.2980 9.3895 10.2337 10.2337 10.9722 11.0061 k = 0.3700 0.3700 0.3700 ( 5962 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9708 -25.9708 -25.9708 -25.9708 -6.5629 -6.5629 -6.3291 -6.3291 -6.2377 -6.2377 -6.2357 -6.2332 1.2073 1.2073 1.2602 1.2860 1.3296 1.3296 1.5795 1.5795 2.4840 2.4907 2.4907 2.4927 2.6623 2.6655 2.6831 2.6831 2.7865 2.7865 2.8576 2.8576 3.0840 3.0840 3.1269 3.1451 3.9778 3.9778 4.0653 4.1034 4.1838 4.1838 4.2725 4.2725 4.2747 4.3743 4.3743 4.3924 4.5129 4.5551 4.5551 4.6295 4.6376 4.6376 4.7846 4.7846 4.8988 4.9277 4.9277 4.9445 5.9474 5.9537 5.9737 5.9737 6.0193 6.0193 8.3091 8.3589 8.3589 8.4186 9.0203 9.0203 9.2582 9.3018 9.3018 9.3886 10.2666 10.2666 10.9071 10.9410 k = 0.3800 0.3800 0.3800 ( 5959 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9709 -25.9709 -25.9709 -25.9709 -6.5445 -6.5445 -6.3342 -6.3342 -6.2423 -6.2423 -6.2405 -6.2381 1.2041 1.2041 1.2624 1.2865 1.3138 1.3138 1.5556 1.5556 2.4940 2.5000 2.5000 2.5015 2.6704 2.6734 2.6916 2.6916 2.7840 2.7840 2.8703 2.8703 3.0753 3.0753 3.1163 3.1338 3.9826 3.9826 4.0773 4.1186 4.1877 4.1877 4.2713 4.2713 4.2828 4.3710 4.3710 4.3947 4.5057 4.5475 4.5475 4.6241 4.6344 4.6344 4.7706 4.7706 4.8907 4.9180 4.9180 4.9320 5.9716 5.9773 5.9985 5.9985 6.0447 6.0447 8.3101 8.3592 8.3592 8.4149 9.0422 9.0422 9.2614 9.3018 9.3018 9.3837 10.2993 10.2993 10.8463 10.8801 k = 0.3900 0.3900 0.3900 ( 5950 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9709 -25.9709 -25.9709 -25.9709 -6.5272 -6.5272 -6.3390 -6.3390 -6.2465 -6.2465 -6.2449 -6.2427 1.1999 1.1999 1.2637 1.2860 1.3001 1.3001 1.5313 1.5313 2.5042 2.5095 2.5095 2.5104 2.6788 2.6814 2.7000 2.7000 2.7817 2.7817 2.8841 2.8841 3.0670 3.0670 3.1062 3.1228 3.9869 3.9869 4.0901 4.1340 4.1921 4.1921 4.2700 4.2700 4.2903 4.3673 4.3673 4.3960 4.4991 4.5407 4.5407 4.6184 4.6324 4.6324 4.7568 4.7568 4.8816 4.9073 4.9073 4.9184 5.9969 6.0020 6.0230 6.0230 6.0700 6.0700 8.3121 8.3598 8.3598 8.4116 9.0624 9.0624 9.2609 9.2982 9.2982 9.3748 10.3315 10.3315 10.7905 10.8241 k = 0.4000 0.4000 0.4000 ( 5968 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9710 -25.9710 -25.9710 -25.9710 -6.5110 -6.5110 -6.3435 -6.3435 -6.2504 -6.2504 -6.2490 -6.2470 1.1947 1.1947 1.2643 1.2847 1.2885 1.2885 1.5069 1.5069 2.5143 2.5189 2.5189 2.5194 2.6870 2.6894 2.7079 2.7079 2.7799 2.7799 2.8983 2.8983 3.0595 3.0595 3.0966 3.1122 3.9906 3.9906 4.1035 4.1494 4.1969 4.1969 4.2684 4.2684 4.2970 4.3634 4.3634 4.3959 4.4935 4.5350 4.5350 4.6121 4.6313 4.6313 4.7430 4.7430 4.8716 4.8957 4.8957 4.9040 6.0227 6.0272 6.0470 6.0470 6.0946 6.0946 8.3150 8.3609 8.3609 8.4088 9.0808 9.0808 9.2570 9.2910 9.2910 9.3620 10.3630 10.3630 10.7404 10.7732 k = 0.4100 0.4100 0.4100 ( 5962 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9711 -25.9711 -25.9710 -25.9710 -6.4959 -6.4959 -6.3478 -6.3478 -6.2539 -6.2539 -6.2527 -6.2509 1.1890 1.1890 1.2644 1.2791 1.2791 1.2828 1.4828 1.4828 2.5242 2.5282 2.5282 2.5282 2.6951 2.6972 2.7151 2.7151 2.7788 2.7788 2.9122 2.9122 3.0529 3.0529 3.0876 3.1022 3.9937 3.9937 4.1176 4.1647 4.2021 4.2021 4.2668 4.2668 4.3032 4.3594 4.3594 4.3943 4.4892 4.5307 4.5307 4.6054 4.6310 4.6310 4.7297 4.7297 4.8614 4.8835 4.8835 4.8894 6.0484 6.0524 6.0705 6.0705 6.1181 6.1181 8.3188 8.3624 8.3624 8.4064 9.0975 9.0975 9.2499 9.2807 9.2807 9.3458 10.3934 10.3934 10.6962 10.7279 k = 0.4200 0.4200 0.4200 ( 5962 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9711 -25.9711 -25.9711 -25.9711 -6.4820 -6.4820 -6.3519 -6.3519 -6.2570 -6.2570 -6.2561 -6.2544 1.1831 1.1831 1.2641 1.2718 1.2718 1.2804 1.4593 1.4593 2.5337 2.5368 2.5370 2.5370 2.7028 2.7047 2.7213 2.7213 2.7785 2.7785 2.9251 2.9251 3.0476 3.0476 3.0792 3.0927 3.9962 3.9962 4.1322 4.1796 4.2075 4.2075 4.2651 4.2651 4.3086 4.3554 4.3554 4.3909 4.4866 4.5276 4.5276 4.5983 4.6312 4.6312 4.7168 4.7168 4.8510 4.8710 4.8710 4.8748 6.0735 6.0770 6.0930 6.0930 6.1401 6.1401 8.3237 8.3643 8.3643 8.4044 9.1124 9.1124 9.2403 9.2677 9.2677 9.3267 10.4225 10.4225 10.6580 10.6882 k = 0.4300 0.4300 0.4300 ( 5971 PWs) bands (ev): -61.7094 -61.7094 -34.6230 -34.6230 -25.9712 -25.9712 -25.9712 -25.9712 -6.4695 -6.4695 -6.3557 -6.3557 -6.2597 -6.2597 -6.2591 -6.2576 1.1773 1.1773 1.2635 1.2664 1.2664 1.2779 1.4369 1.4369 2.5427 2.5448 2.5453 2.5453 2.7099 2.7116 2.7263 2.7263 2.7792 2.7792 2.9364 2.9364 3.0437 3.0437 3.0716 3.0839 3.9980 3.9980 4.1470 4.1939 4.2131 4.2131 4.2636 4.2636 4.3132 4.3514 4.3514 4.3856 4.4859 4.5256 4.5256 4.5906 4.6319 4.6319 4.7047 4.7047 4.8410 4.8584 4.8584 4.8606 6.0973 6.1003 6.1139 6.1139 6.1604 6.1604 8.3294 8.3666 8.3666 8.4026 9.1256 9.1256 9.2288 9.2530 9.2530 9.3055 10.4497 10.4497 10.6259 10.6540 k = 0.4400 0.4400 0.4400 ( 5953 PWs) bands (ev): -61.7094 -61.7094 -34.6230 -34.6230 -25.9712 -25.9712 -25.9712 -25.9712 -6.4582 -6.4582 -6.3592 -6.3592 -6.2621 -6.2621 -6.2616 -6.2603 1.1718 1.1718 1.2628 1.2628 1.2629 1.2752 1.4158 1.4158 2.5508 2.5523 2.5528 2.5528 2.7164 2.7179 2.7301 2.7301 2.7809 2.7809 2.9456 2.9456 3.0417 3.0417 3.0650 3.0759 3.9993 3.9993 4.1622 4.2073 4.2187 4.2187 4.2623 4.2623 4.3172 4.3475 4.3475 4.3787 4.4872 4.5246 4.5246 4.5824 4.6332 4.6332 4.6935 4.6935 4.8316 4.8462 4.8462 4.8474 6.1194 6.1219 6.1329 6.1329 6.1790 6.1790 8.3360 8.3691 8.3691 8.4009 9.1369 9.1369 9.2165 9.2374 9.2374 9.2833 10.4747 10.4747 10.5996 10.6251 k = 0.4500 0.4500 0.4500 ( 5941 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9712 -25.9712 -25.9712 -25.9712 -6.4484 -6.4484 -6.3624 -6.3624 -6.2641 -6.2641 -6.2638 -6.2627 1.1670 1.1670 1.2607 1.2607 1.2623 1.2726 1.3965 1.3965 2.5581 2.5590 2.5595 2.5595 2.7222 2.7234 2.7327 2.7327 2.7832 2.7832 2.9522 2.9522 3.0414 3.0414 3.0594 3.0687 4.0001 4.0001 4.1772 4.2193 4.2240 4.2240 4.2613 4.2613 4.3206 4.3439 4.3439 4.3705 4.4902 4.5243 4.5243 4.5737 4.6347 4.6347 4.6835 4.6835 4.8231 4.8348 4.8348 4.8354 6.1391 6.1412 6.1494 6.1494 6.1954 6.1954 8.3432 8.3717 8.3717 8.3990 9.1464 9.1464 9.2044 9.2219 9.2219 9.2609 10.4966 10.4966 10.5787 10.6010 k = 0.4600 0.4600 0.4600 ( 5944 PWs) bands (ev): -61.7094 -61.7094 -34.6230 -34.6230 -25.9712 -25.9712 -25.9712 -25.9712 -6.4401 -6.4401 -6.3653 -6.3653 -6.2657 -6.2657 -6.2655 -6.2647 1.1629 1.1629 1.2601 1.2601 1.2618 1.2701 1.3794 1.3794 2.5642 2.5648 2.5652 2.5652 2.7270 2.7279 2.7343 2.7343 2.7857 2.7857 2.9564 2.9564 3.0425 3.0425 3.0548 3.0625 4.0006 4.0006 4.1919 4.2286 4.2286 4.2292 4.2608 4.2608 4.3233 4.3405 4.3405 4.3617 4.4948 4.5243 4.5243 4.5644 4.6365 4.6365 4.6747 4.6747 4.8158 4.8245 4.8245 4.8250 6.1560 6.1577 6.1632 6.1632 6.2094 6.2094 8.3508 8.3743 8.3743 8.3968 9.1538 9.1538 9.1937 9.2077 9.2077 9.2395 10.5148 10.5148 10.5630 10.5815 k = 0.4700 0.4700 0.4700 ( 5944 PWs) bands (ev): -61.7094 -61.7094 -34.6230 -34.6230 -25.9713 -25.9713 -25.9712 -25.9712 -6.4333 -6.4333 -6.3678 -6.3678 -6.2669 -6.2669 -6.2669 -6.2662 1.1597 1.1597 1.2605 1.2605 1.2616 1.2678 1.3648 1.3648 2.5692 2.5694 2.5697 2.5697 2.7308 2.7315 2.7352 2.7352 2.7882 2.7882 2.9588 2.9588 3.0445 3.0445 3.0514 3.0573 4.0008 4.0008 4.2059 4.2323 4.2323 4.2366 4.2608 4.2608 4.3255 4.3376 4.3376 4.3529 4.5008 4.5247 4.5247 4.5548 4.6384 4.6384 4.6675 4.6675 4.8100 4.8158 4.8158 4.8165 6.1697 6.1709 6.1741 6.1741 6.2208 6.2208 8.3586 8.3766 8.3766 8.3939 9.1590 9.1590 9.1854 9.1961 9.1961 9.2202 10.5285 10.5285 10.5519 10.5662 k = 0.4800 0.4800 0.4800 ( 5944 PWs) bands (ev): -61.7094 -61.7094 -34.6230 -34.6230 -25.9713 -25.9713 -25.9712 -25.9712 -6.4282 -6.4282 -6.3698 -6.3698 -6.2678 -6.2678 -6.2678 -6.2674 1.1574 1.1574 1.2615 1.2615 1.2617 1.2658 1.3536 1.3536 2.5727 2.5729 2.5730 2.5730 2.7336 2.7341 2.7357 2.7357 2.7902 2.7902 2.9599 2.9599 3.0466 3.0466 3.0492 3.0532 4.0008 4.0008 4.2186 4.2349 4.2349 4.2407 4.2611 4.2611 4.3276 4.3353 4.3353 4.3448 4.5080 4.5250 4.5250 4.5449 4.6402 4.6402 4.6619 4.6619 4.8059 4.8092 4.8092 4.8100 6.1797 6.1806 6.1819 6.1819 6.2292 6.2292 8.3662 8.3784 8.3784 8.3902 9.1617 9.1617 9.1804 9.1882 9.1882 9.2039 10.5372 10.5372 10.5450 10.5548 k = 0.4900 0.4900 0.4900 ( 5929 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9713 -25.9713 -25.9712 -25.9712 -6.4251 -6.4251 -6.3711 -6.3711 -6.2684 -6.2683 -6.2683 -6.2681 1.1560 1.1560 1.2622 1.2626 1.2626 1.2642 1.3463 1.3463 2.5750 2.5750 2.5750 2.5750 2.7354 2.7356 2.7360 2.7360 2.7916 2.7916 2.9603 2.9603 3.0482 3.0482 3.0483 3.0503 4.0009 4.0009 4.2292 4.2364 4.2364 4.2409 4.2616 4.2616 4.3300 4.3339 4.3339 4.3382 4.5164 4.5254 4.5254 4.5351 4.6417 4.6417 4.6584 4.6584 4.8038 4.8051 4.8051 4.8057 6.1860 6.1864 6.1867 6.1867 6.2344 6.2344 8.3735 8.3795 8.3795 8.3856 9.1622 9.1622 9.1796 9.1842 9.1842 9.1914 10.5415 10.5415 10.5420 10.5470 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -61.7093 -61.7093 -34.6229 -34.6229 -25.9712 -25.9712 -25.9712 -25.9712 -6.4240 -6.4240 -6.3716 -6.3716 -6.2684 -6.2684 -6.2684 -6.2684 1.1555 1.1555 1.2630 1.2630 1.2630 1.2630 1.3438 1.3438 2.5757 2.5757 2.5757 2.5757 2.7361 2.7361 2.7361 2.7361 2.7921 2.7921 2.9604 2.9604 3.0487 3.0487 3.0487 3.0487 4.0010 4.0010 4.2370 4.2370 4.2370 4.2370 4.2619 4.2619 4.3334 4.3334 4.3334 4.3334 4.5255 4.5255 4.5255 4.5255 4.6423 4.6423 4.6571 4.6571 4.8037 4.8037 4.8037 4.8037 6.1882 6.1882 6.1882 6.1882 6.2361 6.2361 8.3800 8.3800 8.3800 8.3800 9.1620 9.1620 9.1832 9.1832 9.1832 9.1832 10.5427 10.5427 10.5427 10.5427 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -61.7093 -61.7093 -34.6229 -34.6229 -25.9712 -25.9712 -25.9712 -25.9712 -6.4240 -6.4240 -6.3716 -6.3716 -6.2684 -6.2684 -6.2684 -6.2684 1.1555 1.1555 1.2630 1.2630 1.2630 1.2630 1.3438 1.3438 2.5757 2.5757 2.5757 2.5757 2.7361 2.7361 2.7361 2.7361 2.7921 2.7921 2.9604 2.9604 3.0487 3.0487 3.0487 3.0487 4.0010 4.0010 4.2370 4.2370 4.2370 4.2370 4.2619 4.2619 4.3334 4.3334 4.3334 4.3334 4.5255 4.5255 4.5255 4.5255 4.6423 4.6423 4.6571 4.6571 4.8037 4.8037 4.8037 4.8037 6.1882 6.1882 6.1882 6.1882 6.2361 6.2361 8.3800 8.3800 8.3800 8.3800 9.1620 9.1620 9.1832 9.1832 9.1832 9.1832 10.5427 10.5427 10.5427 10.5427 k = 0.4878 0.5000 0.4878 ( 5934 PWs) bands (ev): -61.7094 -61.7094 -34.6230 -34.6230 -25.9713 -25.9713 -25.9712 -25.9712 -6.4251 -6.4251 -6.3711 -6.3711 -6.2685 -6.2683 -6.2682 -6.2681 1.1560 1.1560 1.2619 1.2626 1.2628 1.2642 1.3463 1.3463 2.5750 2.5750 2.5750 2.5750 2.7353 2.7355 2.7360 2.7361 2.7916 2.7916 2.9602 2.9604 3.0478 3.0484 3.0485 3.0502 4.0009 4.0009 4.2295 4.2349 4.2377 4.2409 4.2616 4.2616 4.3300 4.3329 4.3348 4.3381 4.5167 4.5230 4.5277 4.5347 4.6417 4.6418 4.6583 4.6584 4.8037 4.8049 4.8051 4.8059 6.1859 6.1862 6.1867 6.1869 6.2344 6.2344 8.3736 8.3780 8.3811 8.3854 9.1618 9.1625 9.1796 9.1832 9.1854 9.1911 10.5410 10.5419 10.5424 10.5466 k = 0.4756 0.5000 0.4756 ( 5942 PWs) bands (ev): -61.7094 -61.7094 -34.6230 -34.6230 -25.9713 -25.9713 -25.9712 -25.9712 -6.4283 -6.4281 -6.3700 -6.3697 -6.2684 -6.2679 -6.2674 -6.2671 1.1573 1.1574 1.2601 1.2617 1.2627 1.2660 1.3534 1.3536 2.5728 2.5729 2.5730 2.5731 2.7333 2.7337 2.7360 2.7362 2.7902 2.7904 2.9593 2.9605 3.0456 3.0479 3.0493 3.0528 4.0008 4.0009 4.2191 4.2320 4.2363 4.2419 4.2611 4.2611 4.3275 4.3335 4.3370 4.3447 4.5085 4.5207 4.5296 4.5442 4.6402 4.6407 4.6614 4.6622 4.8056 4.8086 4.8090 4.8110 6.1793 6.1800 6.1824 6.1827 6.2293 6.2294 8.3664 8.3755 8.3812 8.3901 9.1597 9.1648 9.1802 9.1876 9.1879 9.2036 10.5369 10.5401 10.5442 10.5532 k = 0.4634 0.5000 0.4634 ( 5950 PWs) bands (ev): -61.7094 -61.7094 -34.6230 -34.6230 -25.9713 -25.9713 -25.9712 -25.9712 -6.4333 -6.4328 -6.3685 -6.3674 -6.2683 -6.2672 -6.2660 -6.2656 1.1595 1.1598 1.2581 1.2604 1.2636 1.2685 1.3643 1.3650 2.5692 2.5694 2.5697 2.5699 2.7300 2.7306 2.7357 2.7361 2.7881 2.7888 2.9569 2.9610 3.0418 3.0475 3.0514 3.0564 4.0007 4.0009 4.2065 4.2286 4.2317 4.2411 4.2605 4.2608 4.3252 4.3350 4.3397 4.3530 4.5011 4.5190 4.5307 4.5537 4.6388 4.6398 4.6658 4.6679 4.8091 4.8140 4.8155 4.8189 6.1684 6.1695 6.1751 6.1757 6.2210 6.2213 8.3584 8.3728 8.3803 8.3943 9.1549 9.1690 9.1845 9.1899 9.1970 9.2202 10.5299 10.5353 10.5493 10.5615 k = 0.4512 0.5000 0.4512 ( 5954 PWs) bands (ev): -61.7094 -61.7094 -34.6230 -34.6230 -25.9713 -25.9713 -25.9712 -25.9712 -6.4400 -6.4391 -6.3669 -6.3644 -6.2683 -6.2661 -6.2639 -6.2635 1.1624 1.1631 1.2563 1.2594 1.2652 1.2716 1.3782 1.3797 2.5643 2.5647 2.5653 2.5656 2.7255 2.7262 2.7351 2.7355 2.7857 2.7870 2.9524 2.9619 3.0364 3.0481 3.0549 3.0609 4.0004 4.0007 4.1926 4.2241 4.2245 4.2388 4.2599 4.2613 4.3228 4.3369 4.3427 4.3620 4.4946 4.5182 4.5311 4.5629 4.6379 4.6392 4.6714 4.6752 4.8144 4.8213 4.8241 4.8290 6.1536 6.1552 6.1649 6.1658 6.2099 6.2106 8.3499 8.3698 8.3785 8.3980 9.1479 9.1749 9.1911 9.1916 9.2103 9.2402 10.5201 10.5275 10.5566 10.5698 k = 0.4390 0.5000 0.4390 ( 5954 PWs) bands (ev): -61.7094 -61.7094 -34.6230 -34.6230 -25.9712 -25.9712 -25.9712 -25.9712 -6.4481 -6.4467 -6.3653 -6.3610 -6.2684 -6.2645 -6.2612 -6.2609 1.1661 1.1673 1.2552 1.2592 1.2677 1.2754 1.3946 1.3972 2.5583 2.5590 2.5597 2.5603 2.7197 2.7206 2.7339 2.7340 2.7836 2.7856 2.9451 2.9632 3.0294 3.0501 3.0597 3.0663 3.9999 4.0004 4.1782 4.2142 4.2199 4.2349 4.2596 4.2625 4.3204 4.3391 4.3461 4.3710 4.4888 4.5187 4.5307 4.5716 4.6381 4.6393 4.6780 4.6837 4.8212 4.8308 4.8339 4.8408 6.1351 6.1371 6.1518 6.1531 6.1964 6.1976 8.3413 8.3668 8.3763 8.4014 9.1393 9.1819 9.1913 9.2006 9.2262 9.2626 10.5081 10.5171 10.5657 10.5777 k = 0.4268 0.5000 0.4268 ( 5952 PWs) bands (ev): -61.7094 -61.7094 -34.6230 -34.6230 -25.9712 -25.9712 -25.9711 -25.9711 -6.4574 -6.4555 -6.3639 -6.3571 -6.2688 -6.2626 -6.2580 -6.2576 1.1704 1.1723 1.2548 1.2599 1.2712 1.2799 1.4130 1.4170 2.5512 2.5523 2.5532 2.5542 2.7127 2.7137 2.7313 2.7319 2.7822 2.7848 2.9349 2.9645 3.0211 3.0539 3.0657 3.0724 3.9989 3.9996 4.1636 4.2028 4.2150 4.2299 4.2595 4.2643 4.3178 4.3412 4.3496 4.3793 4.4840 4.5208 4.5297 4.5797 4.6396 4.6399 4.6856 4.6933 4.8295 4.8423 4.8444 4.8536 6.1134 6.1159 6.1360 6.1375 6.1809 6.1827 8.3330 8.3637 8.3739 8.4044 9.1291 9.1872 9.1927 9.2107 9.2435 9.2861 10.4949 10.5047 10.5764 10.5862 k = 0.4146 0.5000 0.4146 ( 5960 PWs) bands (ev): -61.7094 -61.7094 -34.6230 -34.6230 -25.9712 -25.9712 -25.9711 -25.9711 -6.4678 -6.4654 -6.3628 -6.3529 -6.2693 -6.2602 -6.2541 -6.2538 1.1752 1.1780 1.2553 1.2616 1.2756 1.2853 1.4330 1.4387 2.5432 2.5447 2.5459 2.5472 2.7046 2.7056 2.7271 2.7291 2.7821 2.7847 2.9219 2.9652 3.0123 3.0592 3.0728 3.0792 3.9972 3.9982 4.1493 4.1908 4.2099 4.2240 4.2595 4.2665 4.3150 4.3432 4.3531 4.3864 4.4800 4.5246 4.5282 4.5870 4.6411 4.6423 4.6942 4.7035 4.8392 4.8551 4.8558 4.8668 6.0890 6.0920 6.1176 6.1194 6.1636 6.1659 8.3254 8.3607 8.3717 8.4070 9.1174 9.1851 9.1998 9.2210 9.2613 9.3099 10.4814 10.4913 10.5890 10.5962 k = 0.4024 0.5000 0.4024 ( 5964 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9712 -25.9712 -25.9710 -25.9710 -6.4791 -6.4762 -6.3621 -6.3486 -6.2700 -6.2574 -6.2496 -6.2493 1.1804 1.1840 1.2568 1.2642 1.2811 1.2916 1.4542 1.4619 2.5346 2.5365 2.5378 2.5397 2.6955 2.6964 2.7216 2.7256 2.7833 2.7856 2.9065 2.9639 3.0043 3.0661 3.0809 3.0866 3.9946 3.9957 4.1360 4.1786 4.2047 4.2176 4.2596 4.2689 4.3123 4.3451 4.3567 4.3921 4.4771 4.5266 4.5302 4.5937 4.6428 4.6461 4.7038 4.7141 4.8502 4.8654 4.8712 4.8801 6.0626 6.0660 6.0970 6.0989 6.1446 6.1473 8.3186 8.3577 8.3700 8.4092 9.1039 9.1799 9.2076 9.2308 9.2785 9.3327 10.4683 10.4778 10.6040 10.6087 k = 0.3902 0.5000 0.3902 ( 5960 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9712 -25.9712 -25.9709 -25.9709 -6.4912 -6.4880 -6.3618 -6.3441 -6.2708 -6.2541 -6.2445 -6.2443 1.1858 1.1900 1.2595 1.2677 1.2877 1.2989 1.4763 1.4863 2.5254 2.5278 2.5293 2.5317 2.6856 2.6863 2.7152 2.7216 2.7857 2.7873 2.8890 2.9583 2.9997 3.0741 3.0900 3.0946 3.9910 3.9919 4.1240 4.1670 4.1995 4.2108 4.2596 4.2713 4.3096 4.3468 4.3600 4.3963 4.4754 4.5250 4.5373 4.6000 4.6448 4.6506 4.7142 4.7249 4.8621 4.8752 4.8874 4.8938 6.0348 6.0385 6.0747 6.0766 6.1240 6.1270 8.3130 8.3549 8.3691 8.4111 9.0886 9.1722 9.2145 9.2393 9.2942 9.3538 10.4564 10.4647 10.6217 10.6242 k = 0.3780 0.5000 0.3780 ( 5964 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9712 -25.9712 -25.9709 -25.9709 -6.5041 -6.5006 -6.3619 -6.3398 -6.2716 -6.2502 -6.2389 -6.2387 1.1910 1.1954 1.2637 1.2721 1.2953 1.3072 1.4990 1.5116 2.5158 2.5187 2.5203 2.5234 2.6751 2.6754 2.7084 2.7173 2.7890 2.7895 2.8700 2.9475 2.9994 3.0831 3.0999 3.1031 3.9860 3.9865 4.1138 4.1563 4.1944 4.2040 4.2592 4.2736 4.3073 4.3483 4.3630 4.3991 4.4752 4.5237 4.5457 4.6060 4.6471 4.6554 4.7255 4.7359 4.8744 4.8845 4.9011 4.9108 6.0063 6.0102 6.0511 6.0527 6.1018 6.1049 8.3086 8.3523 8.3690 8.4127 9.0716 9.1618 9.2196 9.2456 9.3079 9.3725 10.4460 10.4528 10.6428 10.6434 k = 0.3659 0.5000 0.3659 ( 5960 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9711 -25.9711 -25.9708 -25.9708 -6.5176 -6.5139 -6.3626 -6.3359 -6.2720 -6.2459 -6.2328 -6.2326 1.1959 1.1998 1.2697 1.2774 1.3039 1.3165 1.5219 1.5373 2.5060 2.5094 2.5111 2.5149 2.6639 2.6640 2.7017 2.7131 2.7923 2.7930 2.8499 2.9327 3.0023 3.0929 3.1105 3.1120 3.9792 3.9794 4.1055 4.1470 4.1896 4.1971 4.2583 4.2758 4.3056 4.3496 4.3655 4.4006 4.4767 4.5230 4.5551 4.6119 4.6494 4.6604 4.7374 4.7468 4.8846 4.8951 4.9114 4.9312 5.9777 5.9818 6.0268 6.0276 6.0782 6.0811 8.3054 8.3499 8.3697 8.4142 9.0529 9.1488 9.2223 9.2492 9.3191 9.3883 10.4376 10.4425 10.6665 10.6677 k = 0.3537 0.5000 0.3537 ( 5964 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9711 -25.9711 -25.9707 -25.9707 -6.5316 -6.5278 -6.3639 -6.3325 -6.2719 -6.2410 -6.2262 -6.2259 1.2001 1.2028 1.2776 1.2837 1.3133 1.3267 1.5449 1.5632 2.4961 2.4999 2.5019 2.5064 2.6519 2.6525 2.6954 2.7089 2.7952 2.7976 2.8294 2.9156 3.0070 3.1035 3.1214 3.1217 3.9701 3.9713 4.0992 4.1392 4.1848 4.1905 4.2566 4.2778 4.3046 4.3507 4.3675 4.4007 4.4802 4.5230 4.5652 4.6180 4.6516 4.6651 4.7498 4.7577 4.8907 4.9090 4.9194 4.9534 5.9495 5.9536 6.0018 6.0021 6.0534 6.0556 8.3034 8.3481 8.3708 8.4159 9.0325 9.1330 9.2222 9.2495 9.3274 9.4010 10.4311 10.4339 10.6941 10.6967 k = 0.3415 0.5000 0.3415 ( 5964 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9711 -25.9711 -25.9706 -25.9706 -6.5461 -6.5423 -6.3656 -6.3302 -6.2709 -6.2357 -6.2191 -6.2189 1.2033 1.2041 1.2873 1.2910 1.3236 1.3377 1.5675 1.5889 2.4863 2.4903 2.4927 2.4980 2.6396 2.6408 2.6901 2.7048 2.7961 2.8025 2.8111 2.8970 3.0129 3.1147 3.1310 3.1335 3.9595 3.9616 4.0948 4.1331 4.1802 4.1842 4.2539 4.2795 4.3045 4.3515 4.3689 4.3997 4.4856 4.5238 4.5759 4.6242 4.6539 4.6694 4.7625 4.7684 4.8935 4.9248 4.9253 4.9768 5.9220 5.9262 5.9754 5.9775 6.0276 6.0284 8.3024 8.3469 8.3720 8.4182 9.0108 9.1143 9.2189 9.2463 9.3327 9.4104 10.4266 10.4273 10.7263 10.7300 k = 0.3293 0.5000 0.3293 ( 5964 PWs) bands (ev): -61.7094 -61.7094 -34.6228 -34.6228 -25.9710 -25.9710 -25.9705 -25.9705 -6.5610 -6.5572 -6.3679 -6.3292 -6.2687 -6.2299 -6.2116 -6.2113 1.2037 1.2053 1.2987 1.2993 1.3345 1.3495 1.5895 1.6140 2.4766 2.4809 2.4837 2.4897 2.6272 2.6290 2.6860 2.7005 2.7843 2.8068 2.8076 2.8775 3.0196 3.1264 3.1410 3.1457 3.9478 3.9506 4.0917 4.1284 4.1758 4.1784 4.2502 4.2808 4.3053 4.3522 4.3698 4.3978 4.4927 4.5254 4.5868 4.6307 4.6560 4.6733 4.7754 4.7792 4.8938 4.9287 4.9417 5.0011 5.8956 5.8997 5.9486 5.9537 5.9997 6.0013 8.3020 8.3467 8.3724 8.4216 8.9880 9.0930 9.2121 9.2395 9.3349 9.4166 10.4227 10.4242 10.7632 10.7676 k = 0.3171 0.5000 0.3171 ( 5952 PWs) bands (ev): -61.7094 -61.7094 -34.6228 -34.6228 -25.9710 -25.9710 -25.9704 -25.9704 -6.5761 -6.5724 -6.3706 -6.3296 -6.2651 -6.2236 -6.2038 -6.2034 1.2019 1.2058 1.3086 1.3111 1.3460 1.3619 1.6107 1.6381 2.4673 2.4716 2.4751 2.4818 2.6149 2.6173 2.6833 2.6948 2.7675 2.8101 2.8127 2.8578 3.0271 3.1388 3.1513 3.1585 3.9353 3.9387 4.0897 4.1248 4.1715 4.1732 4.2456 4.2819 4.3069 4.3527 4.3701 4.3952 4.5014 4.5279 4.5976 4.6376 4.6583 4.6767 4.7881 4.7898 4.8917 4.9298 4.9594 5.0262 5.8702 5.8741 5.9216 5.9311 5.9697 5.9752 8.3018 8.3479 8.3713 8.4268 8.9646 9.0693 9.2016 9.2290 9.3341 9.4197 10.4200 10.4234 10.8047 10.8096 k = 0.3049 0.5000 0.3049 ( 5948 PWs) bands (ev): -61.7094 -61.7094 -34.6228 -34.6228 -25.9709 -25.9709 -25.9702 -25.9702 -6.5915 -6.5879 -6.3738 -6.3315 -6.2601 -6.2169 -6.1956 -6.1952 1.1986 1.2048 1.3186 1.3244 1.3580 1.3746 1.6308 1.6609 2.4583 2.4626 2.4668 2.4742 2.6028 2.6057 2.6822 2.6861 2.7545 2.8145 2.8165 2.8395 3.0352 3.1516 3.1618 3.1716 3.9224 3.9259 4.0884 4.1221 4.1674 4.1687 4.2403 4.2825 4.3092 4.3529 4.3698 4.3923 4.5112 4.5311 4.6077 4.6447 4.6610 4.6795 4.8004 4.8004 4.8877 4.9283 4.9779 5.0517 5.8455 5.8489 5.8946 5.9102 5.9387 5.9501 8.3015 8.3506 8.3682 8.4342 8.9410 9.0435 9.1876 9.2149 9.3303 9.4200 10.4191 10.4242 10.8506 10.8556 k = 0.2927 0.5000 0.2927 ( 5948 PWs) bands (ev): -61.7094 -61.7094 -34.6228 -34.6228 -25.9709 -25.9709 -25.9701 -25.9701 -6.6070 -6.6036 -6.3774 -6.3345 -6.2540 -6.2099 -6.1872 -6.1867 1.1941 1.2022 1.3292 1.3379 1.3702 1.3876 1.6497 1.6822 2.4500 2.4541 2.4591 2.4670 2.5910 2.5944 2.6728 2.6826 2.7477 2.8107 2.8193 2.8314 3.0439 3.1650 3.1725 3.1852 3.9094 3.9127 4.0875 4.1199 4.1632 4.1651 4.2344 4.2826 4.3119 4.3531 4.3691 4.3894 4.5218 4.5348 4.6164 4.6521 4.6646 4.6820 4.8108 4.8115 4.8824 4.9246 4.9968 5.0775 5.8210 5.8228 5.8682 5.8916 5.9073 5.9269 8.3006 8.3553 8.3626 8.4437 8.9179 9.0160 9.1702 9.1974 9.3240 9.4176 10.4197 10.4262 10.9005 10.9053 k = 0.2805 0.5000 0.2805 ( 5966 PWs) bands (ev): -61.7094 -61.7094 -34.6228 -34.6228 -25.9709 -25.9709 -25.9701 -25.9701 -6.6226 -6.6194 -6.3813 -6.3386 -6.2470 -6.2026 -6.1785 -6.1779 1.1883 1.1981 1.3401 1.3515 1.3826 1.4006 1.6671 1.7016 2.4423 2.4460 2.4520 2.4604 2.5795 2.5833 2.6556 2.6840 2.7467 2.7946 2.8244 2.8349 3.0532 3.1789 3.1835 3.1992 3.8964 3.8993 4.0868 4.1179 4.1589 4.1624 4.2282 4.2822 4.3147 4.3531 4.3678 4.3867 4.5329 4.5388 4.6226 4.6599 4.6700 4.6841 4.8201 4.8211 4.8775 4.9187 5.0162 5.1034 5.7945 5.7960 5.8438 5.8749 5.8767 5.9065 8.2989 8.3545 8.3618 8.4551 8.8958 8.9873 9.1496 9.1768 9.3153 9.4130 10.4216 10.4289 10.9538 10.9581 k = 0.2683 0.5000 0.2683 ( 5966 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9708 -25.9708 -25.9699 -25.9699 -6.6382 -6.6351 -6.3856 -6.3434 -6.2393 -6.1951 -6.1696 -6.1690 1.1813 1.1926 1.3511 1.3648 1.3951 1.4136 1.6831 1.7191 2.4353 2.4386 2.4456 2.4543 2.5684 2.5727 2.6364 2.6855 2.7502 2.7788 2.8298 2.8406 3.0632 3.1929 3.1950 3.2136 3.8838 3.8859 4.0863 4.1158 4.1546 4.1607 4.2217 4.2813 4.3177 4.3533 4.3661 4.3845 4.5427 4.5443 4.6258 4.6679 4.6775 4.6862 4.8234 4.8313 4.8764 4.9111 5.0360 5.1293 5.7626 5.7696 5.8223 5.8459 5.8625 5.8890 8.2962 8.3438 8.3702 8.4682 8.8753 8.9580 9.1262 9.1534 9.3047 9.4065 10.4243 10.4321 11.0100 11.0135 k = 0.2561 0.5000 0.2561 ( 5964 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9708 -25.9708 -25.9698 -25.9698 -6.6536 -6.6508 -6.3900 -6.3487 -6.2311 -6.1873 -6.1606 -6.1599 1.1733 1.1857 1.3619 1.3774 1.4076 1.4262 1.6976 1.7345 2.4293 2.4318 2.4399 2.4489 2.5579 2.5625 2.6167 2.6851 2.7568 2.7671 2.8354 2.8468 3.0739 3.2052 3.2091 3.2284 3.8716 3.8728 4.0858 4.1136 4.1502 4.1600 4.2153 4.2799 4.3204 4.3538 4.3641 4.3829 4.5463 4.5556 4.6265 4.6761 4.6865 4.6886 4.8191 4.8410 4.8818 4.9024 5.0561 5.1549 5.7275 5.7407 5.8036 5.8183 5.8520 5.8748 8.2925 8.3305 8.3802 8.4828 8.8569 8.9286 9.1004 9.1275 9.2925 9.3983 10.4275 10.4353 11.0684 11.0707 k = 0.2439 0.5000 0.2439 ( 5964 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9708 -25.9708 -25.9697 -25.9697 -6.6689 -6.6663 -6.3946 -6.3545 -6.2224 -6.1795 -6.1515 -6.1508 1.1642 1.1775 1.3724 1.3891 1.4199 1.4384 1.7106 1.7478 2.4241 2.4258 2.4350 2.4440 2.5479 2.5528 2.5973 2.6803 2.7621 2.7656 2.8411 2.8532 3.0854 3.2167 3.2247 3.2436 3.8598 3.8599 4.0852 4.1113 4.1458 4.1600 4.2090 4.2777 4.3225 4.3547 4.3620 4.3819 4.5490 4.5661 4.6255 4.6835 4.6922 4.6960 4.8090 4.8490 4.8924 4.8942 5.0764 5.1803 5.6896 5.7087 5.7873 5.7941 5.8442 5.8635 8.2875 8.3147 8.3915 8.4986 8.8410 8.9000 9.0725 9.0994 9.2789 9.3887 10.4306 10.4382 11.1282 11.1290 k = 0.2317 0.5000 0.2317 ( 5970 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9707 -25.9707 -25.9696 -25.9696 -6.6839 -6.6816 -6.3993 -6.3606 -6.2136 -6.1717 -6.1424 -6.1416 1.1542 1.1681 1.3824 1.3997 1.4320 1.4501 1.7221 1.7591 2.4200 2.4206 2.4309 2.4399 2.5385 2.5436 2.5788 2.6706 2.7646 2.7760 2.8470 2.8596 3.0976 3.2282 3.2409 3.2591 3.8474 3.8486 4.0843 4.1090 4.1415 4.1606 4.2029 4.2747 4.3237 4.3562 4.3600 4.3813 4.5508 4.5746 4.6243 4.6887 4.6986 4.7048 4.7964 4.8523 4.8901 4.9061 5.0969 5.2050 5.6499 5.6739 5.7731 5.7735 5.8386 5.8551 8.2811 8.2964 8.4040 8.5155 8.8279 8.8726 9.0431 9.0696 9.2644 9.3779 10.4334 10.4403 11.1874 11.1886 k = 0.2195 0.5000 0.2195 ( 5970 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9707 -25.9707 -25.9695 -25.9695 -6.6986 -6.6965 -6.4041 -6.3668 -6.2045 -6.1638 -6.1334 -6.1325 1.1433 1.1576 1.3916 1.4091 1.4437 1.4610 1.7322 1.7684 2.4163 2.4169 2.4277 2.4364 2.5297 2.5349 2.5617 2.6575 2.7726 2.7877 2.8531 2.8662 3.1108 3.2398 3.2577 3.2751 3.8353 3.8378 4.0832 4.1066 4.1374 4.1615 4.1973 4.2712 4.3238 4.3586 4.3586 4.3810 4.5511 4.5793 4.6253 4.6926 4.7069 4.7114 4.7837 4.8476 4.8939 4.9213 5.1173 5.2289 5.6089 5.6368 5.7563 5.7607 5.8349 5.8490 8.2730 8.2758 8.4175 8.5330 8.8178 8.8474 9.0125 9.0384 9.2492 9.3662 10.4353 10.4413 11.2452 11.2486 k = 0.2073 0.5000 0.2073 ( 5972 PWs) bands (ev): -61.7094 -61.7094 -34.6226 -34.6226 -25.9706 -25.9706 -25.9694 -25.9694 -6.7130 -6.7111 -6.4089 -6.3732 -6.1954 -6.1561 -6.1244 -6.1235 1.1318 1.1462 1.4000 1.4171 1.4549 1.4712 1.7410 1.7760 2.4127 2.4147 2.4252 2.4336 2.5214 2.5268 2.5463 2.6430 2.7839 2.8000 2.8594 2.8727 3.1249 3.2516 3.2750 3.2915 3.8238 3.8275 4.0817 4.1044 4.1339 4.1627 4.1921 4.2672 4.3226 4.3576 4.3616 4.3809 4.5500 4.5783 4.6303 4.6964 4.7134 4.7157 4.7742 4.8376 4.9032 4.9377 5.1377 5.2517 5.5670 5.5982 5.7421 5.7504 5.8329 5.8449 8.2534 8.2630 8.4316 8.5511 8.8105 8.8247 8.9814 9.0064 9.2335 9.3537 10.4361 10.4409 11.3012 11.3073 k = 0.1951 0.5000 0.1951 ( 5972 PWs) bands (ev): -61.7094 -61.7094 -34.6226 -34.6226 -25.9706 -25.9706 -25.9693 -25.9693 -6.7269 -6.7252 -6.4136 -6.3797 -6.1863 -6.1485 -6.1155 -6.1146 1.1197 1.1340 1.4074 1.4237 1.4655 1.4807 1.7485 1.7818 2.4100 2.4134 2.4235 2.4315 2.5138 2.5189 2.5330 2.6284 2.7970 2.8128 2.8657 2.8792 3.1399 3.2634 3.2927 3.3083 3.8128 3.8178 4.0798 4.1024 4.1311 4.1639 4.1874 4.2627 4.3204 4.3572 4.3652 4.3811 4.5476 4.5724 4.6386 4.7005 4.7081 4.7238 4.7709 4.8264 4.9150 4.9545 5.1577 5.2729 5.5248 5.5588 5.7308 5.7423 5.8322 5.8424 8.2296 8.2509 8.4462 8.5694 8.8054 8.8059 8.9500 8.9739 9.2175 9.3405 10.4353 10.4389 11.3544 11.3636 k = 0.1829 0.5000 0.1829 ( 5964 PWs) bands (ev): -61.7094 -61.7094 -34.6226 -34.6226 -25.9706 -25.9706 -25.9692 -25.9691 -6.7402 -6.7387 -6.4182 -6.3861 -6.1773 -6.1411 -6.1068 -6.1060 1.1072 1.1213 1.4138 1.4290 1.4754 1.4893 1.7548 1.7862 2.4082 2.4130 2.4226 2.4302 2.5068 2.5110 2.5221 2.6144 2.8108 2.8256 2.8721 2.8856 3.1558 3.2753 3.3108 3.3254 3.8023 3.8085 4.0775 4.1007 4.1294 4.1651 4.1831 4.2580 4.3172 4.3574 4.3691 4.3814 4.5439 4.5632 4.6479 4.6971 4.7046 4.7302 4.7737 4.8165 4.9280 4.9713 5.1772 5.2922 5.4826 5.5190 5.7225 5.7366 5.8325 5.8411 8.2048 8.2367 8.4610 8.5875 8.7896 8.8038 8.9190 8.9417 9.2014 9.3268 10.4327 10.4352 11.4035 11.4161 k = 0.1707 0.5000 0.1707 ( 5964 PWs) bands (ev): -61.7094 -61.7094 -34.6226 -34.6226 -25.9705 -25.9705 -25.9690 -25.9690 -6.7530 -6.7517 -6.4227 -6.3924 -6.1684 -6.1340 -6.0984 -6.0975 1.0944 1.1081 1.4190 1.4330 1.4846 1.4970 1.7600 1.7893 2.4072 2.4133 2.4225 2.4295 2.5004 2.5029 2.5139 2.6014 2.8247 2.8381 2.8786 2.8918 3.1726 3.2871 3.3291 3.3428 3.7923 3.7994 4.0751 4.0992 4.1287 4.1661 4.1794 4.2533 4.3130 4.3580 4.3729 4.3816 4.5392 4.5519 4.6540 4.6865 4.7079 4.7338 4.7796 4.8103 4.9416 4.9878 5.1957 5.3087 5.4411 5.4793 5.7172 5.7338 5.8337 5.8408 8.1796 8.2204 8.4757 8.6048 8.7778 8.8037 8.8889 8.9103 9.1853 9.3126 10.4283 10.4295 11.4474 11.4636 k = 0.1585 0.5000 0.1585 ( 5964 PWs) bands (ev): -61.7094 -61.7094 -34.6226 -34.6226 -25.9705 -25.9705 -25.9689 -25.9689 -6.7652 -6.7640 -6.4270 -6.3986 -6.1597 -6.1272 -6.0903 -6.0894 1.0815 1.0947 1.4232 1.4359 1.4928 1.5039 1.7641 1.7912 2.4070 2.4140 2.4231 2.4294 2.4946 2.4951 2.5079 2.5896 2.8381 2.8501 2.8851 2.8979 3.1902 3.2989 3.3476 3.3604 3.7828 3.7908 4.0728 4.0981 4.1291 4.1670 4.1760 4.2487 4.3081 4.3588 4.3767 4.3818 4.5337 4.5393 4.6474 4.6872 4.7081 4.7355 4.7871 4.8094 4.9555 5.0037 5.2129 5.3215 5.4012 5.4402 5.7151 5.7340 5.8355 5.8412 8.1544 8.2021 8.4899 8.6207 8.7698 8.8054 8.8601 8.8806 9.1695 9.2980 10.4219 10.4219 11.4849 11.5046 k = 0.1463 0.5000 0.1463 ( 5964 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6225 -25.9705 -25.9704 -25.9689 -25.9688 -6.7767 -6.7757 -6.4310 -6.4047 -6.1513 -6.1207 -6.0825 -6.0817 1.0688 1.0813 1.4265 1.4377 1.5002 1.5100 1.7671 1.7920 2.4076 2.4151 2.4245 2.4300 2.4880 2.4895 2.5034 2.5790 2.8508 2.8613 2.8917 2.9038 3.2083 3.3106 3.3661 3.3780 3.7738 3.7823 4.0710 4.0973 4.1305 4.1676 4.1732 4.2445 4.3023 4.3598 4.3802 4.3818 4.5260 4.5276 4.6310 4.6973 4.7019 4.7386 4.7953 4.8137 4.9694 5.0185 5.2283 5.3261 5.3672 5.4019 5.7162 5.7374 5.8377 5.8421 8.1298 8.1822 8.5032 8.6339 8.7654 8.8082 8.8334 8.8541 9.1541 9.2831 10.4126 10.4135 11.5152 11.5379 k = 0.1341 0.5000 0.1341 ( 5970 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6225 -25.9704 -25.9704 -25.9688 -25.9688 -6.7874 -6.7866 -6.4348 -6.4105 -6.1432 -6.1148 -6.0752 -6.0744 1.0563 1.0680 1.4288 1.4387 1.5068 1.5153 1.7693 1.7920 2.4090 2.4164 2.4264 2.4310 2.4818 2.4848 2.5001 2.5696 2.8625 2.8715 2.8983 2.9094 3.2269 3.3220 3.3843 3.3956 3.7652 3.7740 4.0701 4.0969 4.1327 4.1682 4.1708 4.2407 4.2958 4.3605 4.3816 4.3834 4.5125 4.5212 4.6119 4.6898 4.7102 4.7446 4.8038 4.8214 4.9830 5.0320 5.2413 5.3074 5.3544 5.3649 5.7206 5.7440 5.8402 5.8433 8.1061 8.1612 8.5150 8.6428 8.7644 8.8095 8.8117 8.8326 9.1392 9.2678 10.4016 10.4034 11.5376 11.5623 k = 0.1220 0.5000 0.1220 ( 5970 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6225 -25.9704 -25.9704 -25.9687 -25.9687 -6.7974 -6.7967 -6.4383 -6.4160 -6.1355 -6.1092 -6.0683 -6.0675 1.0443 1.0552 1.4303 1.4389 1.5125 1.5199 1.7707 1.7913 2.4111 2.4178 2.4289 2.4324 2.4765 2.4808 2.4979 2.5614 2.8731 2.8806 2.9048 2.9146 3.2455 3.3331 3.4022 3.4129 3.7571 3.7659 4.0703 4.0968 4.1358 4.1686 4.1690 4.2373 4.2886 4.3607 4.3811 4.3862 4.4993 4.5147 4.5922 4.6741 4.7240 4.7525 4.8125 4.8311 4.9960 5.0442 5.2511 5.2739 5.3302 5.3547 5.7282 5.7535 5.8429 5.8447 8.0837 8.1396 8.5247 8.6454 8.7659 8.7896 8.8130 8.8207 9.1251 9.2523 10.3894 10.3917 11.5523 11.5778 k = 0.1098 0.5000 0.1098 ( 5976 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6225 -25.9704 -25.9704 -25.9686 -25.9686 -6.8066 -6.8060 -6.4414 -6.4212 -6.1282 -6.1043 -6.0619 -6.0612 1.0329 1.0429 1.4311 1.4385 1.5174 1.5237 1.7715 1.7899 2.4138 2.4192 2.4317 2.4341 2.4720 2.4773 2.4967 2.5543 2.8824 2.8885 2.9112 2.9196 3.2641 3.3436 3.4196 3.4298 3.7494 3.7579 4.0717 4.0971 4.1396 4.1677 4.1690 4.2345 4.2810 4.3594 4.3806 4.3886 4.4872 4.5082 4.5728 4.6563 4.7385 4.7615 4.8211 4.8418 5.0082 5.0548 5.2395 5.2554 5.3002 5.3548 5.7385 5.7654 5.8457 5.8461 8.0630 8.1179 8.5317 8.6403 8.7669 8.7772 8.8087 8.8225 9.1120 9.2366 10.3762 10.3790 11.5600 11.5848 k = 0.0976 0.5000 0.0976 ( 5972 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6225 -25.9704 -25.9704 -25.9685 -25.9685 -6.8149 -6.8144 -6.4441 -6.4261 -6.1214 -6.0998 -6.0560 -6.0554 1.0223 1.0313 1.4314 1.4377 1.5216 1.5269 1.7717 1.7881 2.4169 2.4206 2.4345 2.4361 2.4681 2.4744 2.4964 2.5481 2.8907 2.8954 2.9174 2.9242 3.2822 3.3534 3.4362 3.4460 3.7422 3.7500 4.0746 4.0978 4.1440 4.1671 4.1694 4.2322 4.2731 4.3558 4.3805 4.3905 4.4767 4.5019 4.5541 4.6375 4.7533 4.7714 4.8294 4.8528 5.0192 5.0638 5.2071 5.2454 5.2840 5.3528 5.7512 5.7790 5.8476 5.8486 8.0442 8.0966 8.5353 8.6285 8.7602 8.7796 8.8093 8.8263 9.1004 9.2207 10.3625 10.3655 11.5619 11.5850 k = 0.0854 0.5000 0.0854 ( 5976 PWs) bands (ev): -61.7094 -61.7094 -34.6225 -34.6225 -25.9703 -25.9703 -25.9685 -25.9685 -6.8223 -6.8219 -6.4465 -6.4307 -6.1150 -6.0960 -6.0507 -6.0502 1.0127 1.0206 1.4313 1.4366 1.5250 1.5295 1.7717 1.7860 2.4202 2.4221 2.4373 2.4382 2.4649 2.4720 2.4968 2.5426 2.8978 2.9013 2.9230 2.9284 3.2996 3.3623 3.4518 3.4611 3.7354 3.7423 4.0786 4.0987 4.1489 4.1674 4.1698 4.2301 4.2652 4.3490 4.3812 4.3920 4.4684 4.4958 4.5369 4.6180 4.7683 4.7819 4.8372 4.8636 5.0286 5.0710 5.1776 5.2213 5.2822 5.3486 5.7653 5.7934 5.8490 5.8516 8.0276 8.0761 8.5356 8.6124 8.7555 8.7868 8.8143 8.8298 9.0904 9.2047 10.3489 10.3518 11.5597 11.5802 k = 0.0732 0.5000 0.0732 ( 5980 PWs) bands (ev): -61.7095 -61.7095 -34.6225 -34.6225 -25.9703 -25.9703 -25.9684 -25.9684 -6.8288 -6.8284 -6.4484 -6.4348 -6.1093 -6.0928 -6.0461 -6.0456 1.0041 1.0109 1.4310 1.4353 1.5279 1.5316 1.7713 1.7837 2.4233 2.4235 2.4398 2.4406 2.4622 2.4701 2.4980 2.5378 2.9038 2.9063 2.9281 2.9321 3.3160 3.3701 3.4662 3.4750 3.7292 3.7351 4.0837 4.0999 4.1541 4.1686 4.1703 4.2282 4.2575 4.3391 4.3825 4.3931 4.4624 4.4901 4.5217 4.5984 4.7835 4.7926 4.8442 4.8737 5.0358 5.0763 5.1523 5.1951 5.2835 5.3428 5.7801 5.8078 5.8503 5.8545 8.0134 8.0569 8.5330 8.5945 8.7555 8.7953 8.8210 8.8326 9.0828 9.1887 10.3357 10.3385 11.5548 11.5724 k = 0.0610 0.5000 0.0610 ( 5958 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9703 -25.9703 -25.9684 -25.9684 -6.8343 -6.8340 -6.4499 -6.4385 -6.1041 -6.0903 -6.0421 -6.0416 0.9967 1.0025 1.4306 1.4340 1.5303 1.5333 1.7710 1.7813 2.4250 2.4260 2.4420 2.4432 2.4601 2.4686 2.4998 2.5334 2.9088 2.9105 2.9325 2.9353 3.3312 3.3765 3.4793 3.4874 3.7236 3.7284 4.0892 4.1014 4.1598 4.1711 4.1711 4.2261 4.2507 4.3266 4.3842 4.3938 4.4589 4.4847 4.5092 4.5791 4.7988 4.8034 4.8502 4.8824 5.0403 5.0794 5.1325 5.1709 5.2850 5.3358 5.7945 5.8210 5.8517 5.8574 8.0018 8.0394 8.5287 8.5768 8.7596 8.8042 8.8266 8.8350 9.0779 9.1727 10.3235 10.3261 11.5488 11.5633 k = 0.0488 0.5000 0.0488 ( 5954 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9703 -25.9703 -25.9683 -25.9683 -6.8388 -6.8386 -6.4509 -6.4418 -6.0996 -6.0885 -6.0387 -6.0384 0.9906 0.9953 1.4301 1.4328 1.5321 1.5345 1.7707 1.7790 2.4263 2.4279 2.4438 2.4457 2.4587 2.4675 2.5021 2.5293 2.9128 2.9138 2.9361 2.9380 3.3449 3.3813 3.4907 3.4978 3.7187 3.7223 4.0947 4.1029 4.1655 4.1720 4.1748 4.2233 4.2452 4.3122 4.3860 4.3942 4.4574 4.4797 4.5000 4.5603 4.8139 4.8140 4.8548 4.8888 5.0418 5.0797 5.1191 5.1500 5.2866 5.3281 5.8078 5.8318 5.8536 5.8603 7.9929 8.0238 8.5239 8.5603 8.7668 8.8131 8.8284 8.8383 9.0761 9.1569 10.3129 10.3151 11.5427 11.5543 k = 0.0366 0.5000 0.0366 ( 5962 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9703 -25.9702 -25.9683 -25.9683 -6.8424 -6.8423 -6.4515 -6.4446 -6.0957 -6.0874 -6.0361 -6.0359 0.9859 0.9894 1.4297 1.4316 1.5335 1.5352 1.7706 1.7769 2.4274 2.4292 2.4452 2.4476 2.4582 2.4663 2.5048 2.5254 2.9158 2.9165 2.9389 2.9401 3.3568 3.3843 3.5002 3.5060 3.7146 3.7171 4.0994 4.1043 4.1707 4.1731 4.1801 4.2198 4.2419 4.2968 4.3879 4.3941 4.4575 4.4752 4.4944 4.5428 4.8239 4.8283 4.8581 4.8919 5.0413 5.0764 5.1122 5.1339 5.2885 5.3202 5.8191 5.8388 5.8567 5.8629 7.9868 8.0104 8.5198 8.5460 8.7759 8.8215 8.8262 8.8415 9.0777 9.1415 10.3042 10.3059 11.5375 11.5461 k = 0.0244 0.5000 0.0244 ( 5942 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9702 -25.9702 -25.9682 -25.9682 -6.8449 -6.8449 -6.4515 -6.4470 -6.0925 -6.0869 -6.0342 -6.0340 0.9827 0.9851 1.4294 1.4307 1.5346 1.5357 1.7709 1.7751 2.4285 2.4299 2.4463 2.4485 2.4590 2.4652 2.5078 2.5217 2.9180 2.9183 2.9409 2.9416 3.3669 3.3852 3.5077 3.5118 3.7116 3.7132 4.1030 4.1055 4.1744 4.1744 4.1872 4.2153 4.2420 4.2813 4.3897 4.3939 4.4591 4.4712 4.4930 4.5269 4.8328 4.8405 4.8611 4.8907 5.0416 5.0694 5.1101 5.1232 5.2912 5.3126 5.8280 5.8415 5.8610 5.8652 7.9836 7.9996 8.5173 8.5343 8.7859 8.8214 8.8290 8.8430 9.0826 9.1268 10.2978 10.2990 11.5337 11.5395 k = 0.0122 0.5000 0.0122 ( 5942 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9702 -25.9702 -25.9682 -25.9682 -6.8465 -6.8464 -6.4511 -6.4488 -6.0901 -6.0872 -6.0330 -6.0330 0.9810 0.9822 1.4293 1.4299 1.5354 1.5359 1.7714 1.7735 2.4293 2.4301 2.4472 2.4484 2.4605 2.4639 2.5110 2.5180 2.9193 2.9194 2.9422 2.9425 3.3748 3.3840 3.5127 3.5148 3.7098 3.7106 4.1052 4.1062 4.1756 4.1762 4.1951 4.2096 4.2462 4.2668 4.3911 4.3933 4.4615 4.4676 4.4958 4.5133 4.8402 4.8465 4.8671 4.8853 5.0448 5.0602 5.1108 5.1168 5.2949 5.3057 5.8345 5.8412 5.8646 5.8666 7.9833 7.9914 8.5172 8.5255 8.7962 8.8145 8.8352 8.8424 9.0905 9.1131 10.2940 10.2946 11.5319 11.5348 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -61.7094 -61.7094 -34.6224 -34.6224 -25.9702 -25.9702 -25.9682 -25.9682 -6.8470 -6.8470 -6.4502 -6.4502 -6.0883 -6.0883 -6.0326 -6.0326 0.9808 0.9808 1.4295 1.4295 1.5358 1.5358 1.7722 1.7722 2.4299 2.4299 2.4479 2.4479 2.4623 2.4623 2.5145 2.5145 2.9198 2.9198 2.9427 2.9427 3.3805 3.3805 3.5151 3.5151 3.7094 3.7094 4.1062 4.1062 4.1764 4.1764 4.2028 4.2028 4.2547 4.2547 4.3923 4.3923 4.4643 4.4643 4.5027 4.5027 4.8453 4.8453 4.8766 4.8766 5.0513 5.0513 5.1130 5.1130 5.2997 5.2997 5.8388 5.8388 5.8666 5.8666 7.9859 7.9859 8.5198 8.5198 8.8059 8.8059 8.8398 8.8398 9.1008 9.1008 10.2929 10.2929 11.5322 11.5322 k = 0.5000 0.5000-0.0000 ( 6024 PWs) bands (ev): -61.7095 -61.7095 -34.6228 -34.6228 -25.9713 -25.9713 -25.9694 -25.9694 -6.5868 -6.5868 -6.3615 -6.3615 -6.2764 -6.2764 -6.1855 -6.1855 1.2099 1.2099 1.4441 1.4441 1.4677 1.4677 2.1012 2.1012 2.3892 2.3892 2.4380 2.4380 2.5041 2.5041 2.5374 2.5374 2.5678 2.5678 2.9124 2.9124 2.9988 2.9988 3.0923 3.0923 3.8408 3.8408 4.1719 4.1719 4.1802 4.1802 4.2103 4.2103 4.3530 4.3530 4.3615 4.3615 4.4078 4.4078 4.7994 4.7994 4.8633 4.8633 4.8645 4.8645 4.8831 4.8831 5.0080 5.0080 5.5054 5.5054 5.5065 5.5065 6.0139 6.0139 8.4153 8.4153 8.6275 8.6275 8.6895 8.6895 9.2526 9.2526 9.2585 9.2585 11.1954 11.1954 11.1984 11.1984 k = 0.5000 0.5000 0.0172 ( 5976 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9713 -25.9713 -25.9693 -25.9693 -6.5864 -6.5864 -6.3615 -6.3615 -6.2763 -6.2763 -6.1856 -6.1856 1.2099 1.2099 1.4432 1.4432 1.4671 1.4671 2.0958 2.0958 2.3921 2.3921 2.4385 2.4385 2.5046 2.5046 2.5381 2.5381 2.5700 2.5700 2.9122 2.9122 2.9989 2.9989 3.0924 3.0924 3.8416 3.8416 4.1716 4.1716 4.1793 4.1793 4.2119 4.2119 4.3510 4.3510 4.3632 4.3632 4.4082 4.4082 4.7979 4.7979 4.8615 4.8615 4.8652 4.8652 4.8848 4.8848 5.0077 5.0077 5.5037 5.5037 5.5119 5.5119 6.0145 6.0145 8.4139 8.4139 8.6203 8.6203 8.6986 8.6986 9.2526 9.2526 9.2596 9.2596 11.1925 11.1925 11.1953 11.1953 k = 0.5000 0.5000 0.0345 ( 5968 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9713 -25.9713 -25.9693 -25.9693 -6.5854 -6.5854 -6.3614 -6.3614 -6.2763 -6.2763 -6.1861 -6.1861 1.2099 1.2099 1.4406 1.4406 1.4652 1.4652 2.0806 2.0806 2.3997 2.3997 2.4396 2.4396 2.5060 2.5060 2.5398 2.5398 2.5764 2.5764 2.9112 2.9112 2.9993 2.9993 3.0926 3.0926 3.8436 3.8436 4.1693 4.1693 4.1779 4.1779 4.2156 4.2156 4.3467 4.3467 4.3661 4.3661 4.4091 4.4091 4.7933 4.7933 4.8561 4.8561 4.8677 4.8677 4.8884 4.8884 5.0069 5.0069 5.5050 5.5050 5.5209 5.5209 6.0162 6.0162 8.4099 8.4099 8.6054 8.6054 8.7190 8.7190 9.2527 9.2527 9.2623 9.2623 11.1837 11.1837 11.1863 11.1863 k = 0.5000 0.5000 0.0517 ( 5972 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9713 -25.9713 -25.9694 -25.9694 -6.5838 -6.5838 -6.3613 -6.3613 -6.2761 -6.2761 -6.1869 -6.1869 1.2097 1.2097 1.4362 1.4362 1.4621 1.4621 2.0576 2.0576 2.4097 2.4097 2.4415 2.4415 2.5085 2.5085 2.5427 2.5427 2.5871 2.5871 2.9095 2.9095 2.9997 2.9997 3.0928 3.0928 3.8470 3.8470 4.1645 4.1645 4.1781 4.1781 4.2203 4.2203 4.3417 4.3417 4.3689 4.3689 4.4105 4.4105 4.7865 4.7865 4.8491 4.8491 4.8707 4.8707 4.8922 4.8922 5.0054 5.0054 5.5099 5.5099 5.5332 5.5332 6.0191 6.0191 8.4033 8.4033 8.5892 8.5892 8.7441 8.7441 9.2536 9.2536 9.2663 9.2663 11.1694 11.1694 11.1715 11.1715 k = 0.5000 0.5000 0.0690 ( 5972 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9713 -25.9713 -25.9694 -25.9694 -6.5814 -6.5814 -6.3611 -6.3611 -6.2760 -6.2760 -6.1880 -6.1880 1.2095 1.2095 1.4303 1.4303 1.4578 1.4578 2.0290 2.0290 2.4199 2.4199 2.4443 2.4443 2.5120 2.5120 2.5467 2.5467 2.6021 2.6021 2.9073 2.9073 3.0004 3.0004 3.0931 3.0931 3.8516 3.8516 4.1581 4.1581 4.1794 4.1794 4.2254 4.2254 4.3362 4.3362 4.3715 4.3715 4.4123 4.4123 4.7781 4.7781 4.8411 4.8411 4.8730 4.8730 4.8960 4.8960 5.0035 5.0035 5.5186 5.5186 5.5485 5.5485 6.0230 6.0230 8.3944 8.3944 8.5739 8.5739 8.7717 8.7717 9.2551 9.2551 9.2711 9.2711 11.1497 11.1497 11.1513 11.1513 k = 0.5000 0.5000 0.0862 ( 5964 PWs) bands (ev): -61.7094 -61.7094 -34.6227 -34.6227 -25.9713 -25.9713 -25.9694 -25.9694 -6.5785 -6.5785 -6.3609 -6.3609 -6.2758 -6.2758 -6.1894 -6.1894 1.2091 1.2091 1.4229 1.4229 1.4523 1.4523 1.9967 1.9967 2.4289 2.4289 2.4480 2.4480 2.5168 2.5168 2.5519 2.5519 2.6209 2.6209 2.9044 2.9044 3.0013 3.0013 3.0934 3.0934 3.8575 3.8575 4.1512 4.1512 4.1814 4.1814 4.2305 4.2305 4.3306 4.3306 4.3739 4.3739 4.4144 4.4144 4.7687 4.7687 4.8326 4.8326 4.8738 4.8738 4.8997 4.8997 5.0011 5.0011 5.5312 5.5312 5.5667 5.5667 6.0279 6.0279 8.3838 8.3838 8.5600 8.5600 8.8007 8.8007 9.2574 9.2574 9.2766 9.2766 11.1249 11.1249 11.1263 11.1263 k = 0.5000 0.5000 0.1034 ( 5980 PWs) bands (ev): -61.7094 -61.7094 -34.6228 -34.6228 -25.9713 -25.9713 -25.9695 -25.9695 -6.5749 -6.5749 -6.3606 -6.3606 -6.2756 -6.2756 -6.1911 -6.1911 1.2087 1.2087 1.4142 1.4142 1.4458 1.4458 1.9619 1.9619 2.4361 2.4361 2.4523 2.4523 2.5228 2.5228 2.5579 2.5579 2.6429 2.6429 2.9008 2.9008 3.0022 3.0022 3.0937 3.0937 3.8646 3.8646 4.1440 4.1440 4.1839 4.1839 4.2353 4.2353 4.3249 4.3249 4.3760 4.3760 4.4169 4.4169 4.7585 4.7585 4.8236 4.8236 4.8725 4.8725 4.9029 4.9029 4.9984 4.9984 5.5476 5.5476 5.5878 5.5878 6.0338 6.0338 8.3718 8.3718 8.5474 8.5474 8.8307 8.8307 9.2603 9.2603 9.2826 9.2826 11.0955 11.0955 11.0973 11.0973 k = 0.5000 0.5000 0.1207 ( 5976 PWs) bands (ev): -61.7094 -61.7094 -34.6228 -34.6228 -25.9713 -25.9713 -25.9696 -25.9696 -6.5707 -6.5707 -6.3604 -6.3604 -6.2753 -6.2753 -6.1932 -6.1932 1.2081 1.2081 1.4043 1.4043 1.4382 1.4382 1.9256 1.9256 2.4420 2.4420 2.4570 2.4570 2.5299 2.5299 2.5650 2.5650 2.6672 2.6672 2.8967 2.8967 3.0033 3.0033 3.0939 3.0939 3.8728 3.8728 4.1369 4.1369 4.1869 4.1869 4.2397 4.2397 4.3193 4.3193 4.3781 4.3781 4.4196 4.4196 4.7476 4.7476 4.8143 4.8143 4.8691 4.8691 4.9054 4.9054 4.9955 4.9955 5.5676 5.5676 5.6115 5.6115 6.0406 6.0406 8.3592 8.3592 8.5359 8.5359 8.8613 8.8613 9.2636 9.2636 9.2888 9.2888 11.0620 11.0620 11.0650 11.0650 k = 0.5000 0.5000 0.1379 ( 5980 PWs) bands (ev): -61.7094 -61.7094 -34.6228 -34.6228 -25.9713 -25.9713 -25.9697 -25.9697 -6.5660 -6.5660 -6.3601 -6.3601 -6.2750 -6.2750 -6.1955 -6.1955 1.2074 1.2074 1.3935 1.3935 1.4298 1.4298 1.8884 1.8884 2.4474 2.4474 2.4618 2.4618 2.5381 2.5381 2.5729 2.5729 2.6929 2.6929 2.8921 2.8921 3.0045 3.0045 3.0941 3.0941 3.8820 3.8820 4.1300 4.1300 4.1903 4.1903 4.2436 4.2436 4.3140 4.3140 4.3800 4.3800 4.4226 4.4226 4.7361 4.7361 4.8047 4.8047 4.8634 4.8634 4.9069 4.9069 4.9924 4.9924 5.5912 5.5912 5.6377 5.6377 6.0482 6.0482 8.3464 8.3464 8.5253 8.5253 8.8923 8.8923 9.2671 9.2671 9.2951 9.2951 11.0255 11.0255 11.0298 11.0298 k = 0.5000 0.5000 0.1552 ( 5972 PWs) bands (ev): -61.7094 -61.7094 -34.6228 -34.6228 -25.9713 -25.9713 -25.9697 -25.9697 -6.5607 -6.5607 -6.3597 -6.3597 -6.2746 -6.2746 -6.1981 -6.1981 1.2066 1.2066 1.3818 1.3818 1.4206 1.4206 1.8509 1.8509 2.4526 2.4526 2.4665 2.4665 2.5473 2.5473 2.5816 2.5816 2.7191 2.7191 2.8869 2.8869 3.0058 3.0058 3.0941 3.0941 3.8921 3.8921 4.1234 4.1234 4.1940 4.1940 4.2470 4.2470 4.3092 4.3092 4.3820 4.3820 4.4258 4.4258 4.7241 4.7241 4.7950 4.7950 4.8557 4.8557 4.9070 4.9070 4.9892 4.9892 5.6180 5.6180 5.6663 5.6663 6.0565 6.0565 8.3340 8.3340 8.5153 8.5153 8.9233 8.9233 9.2706 9.2706 9.3011 9.3011 10.9866 10.9866 10.9925 10.9925 k = 0.5000 0.5000 0.1724 ( 5980 PWs) bands (ev): -61.7094 -61.7094 -34.6228 -34.6228 -25.9713 -25.9713 -25.9698 -25.9698 -6.5548 -6.5548 -6.3594 -6.3594 -6.2743 -6.2743 -6.2011 -6.2011 1.2055 1.2055 1.3696 1.3696 1.4107 1.4107 1.8133 1.8133 2.4580 2.4580 2.4712 2.4712 2.5573 2.5573 2.5909 2.5909 2.7453 2.7453 2.8813 2.8813 3.0071 3.0071 3.0939 3.0939 3.9029 3.9029 4.1173 4.1173 4.1981 4.1981 4.2497 4.2497 4.3051 4.3051 4.3838 4.3838 4.4292 4.4292 4.7115 4.7115 4.7851 4.7851 4.8460 4.8460 4.9057 4.9057 4.9858 4.9858 5.6478 5.6478 5.6969 5.6969 6.0654 6.0654 8.3225 8.3225 8.5058 8.5058 8.9540 8.9540 9.2739 9.2739 9.3066 9.3066 10.9461 10.9461 10.9538 10.9538 k = 0.5000 0.5000 0.1897 ( 5972 PWs) bands (ev): -61.7094 -61.7094 -34.6228 -34.6228 -25.9713 -25.9713 -25.9699 -25.9699 -6.5485 -6.5485 -6.3591 -6.3591 -6.2739 -6.2739 -6.2043 -6.2043 1.2043 1.2043 1.3569 1.3569 1.4003 1.4003 1.7761 1.7761 2.4637 2.4637 2.4762 2.4762 2.5680 2.5680 2.6008 2.6008 2.7709 2.7709 2.8753 2.8753 3.0085 3.0085 3.0934 3.0934 3.9144 3.9144 4.1119 4.1119 4.2024 4.2024 4.2516 4.2516 4.3017 4.3017 4.3857 4.3857 4.4329 4.4329 4.6984 4.6984 4.7753 4.7753 4.8347 4.8347 4.9030 4.9030 4.9821 4.9821 5.6801 5.6801 5.7294 5.7294 6.0749 6.0749 8.3122 8.3122 8.4966 8.4966 8.9841 8.9841 9.2767 9.2767 9.3112 9.3112 10.9050 10.9050 10.9144 10.9144 k = 0.5000 0.5000 0.2069 ( 5972 PWs) bands (ev): -61.7094 -61.7094 -34.6228 -34.6228 -25.9713 -25.9713 -25.9700 -25.9700 -6.5418 -6.5418 -6.3588 -6.3588 -6.2735 -6.2735 -6.2078 -6.2078 1.2028 1.2028 1.3441 1.3441 1.3895 1.3895 1.7393 1.7393 2.4697 2.4697 2.4814 2.4814 2.5794 2.5794 2.6112 2.6112 2.7954 2.7954 2.8690 2.8690 3.0099 3.0099 3.0927 3.0927 3.9262 3.9262 4.1073 4.1073 4.2070 4.2070 4.2526 4.2526 4.2993 4.2993 4.3873 4.3873 4.4368 4.4368 4.6849 4.6849 4.7655 4.7655 4.8219 4.8219 4.8991 4.8991 4.9777 4.9777 5.7146 5.7146 5.7635 5.7635 6.0848 6.0848 8.3034 8.3034 8.4876 8.4876 9.0132 9.0132 9.2786 9.2786 9.3148 9.3148 10.8638 10.8638 10.8751 10.8751 k = 0.5000 0.5000 0.2241 ( 5964 PWs) bands (ev): -61.7094 -61.7094 -34.6228 -34.6228 -25.9713 -25.9713 -25.9701 -25.9701 -6.5346 -6.5346 -6.3586 -6.3586 -6.2730 -6.2730 -6.2115 -6.2115 1.2012 1.2012 1.3313 1.3313 1.3785 1.3785 1.7034 1.7034 2.4761 2.4761 2.4870 2.4870 2.5913 2.5913 2.6221 2.6221 2.8185 2.8185 2.8626 2.8626 3.0114 3.0114 3.0917 3.0917 3.9382 3.9382 4.1039 4.1039 4.2117 4.2117 4.2529 4.2529 4.2980 4.2980 4.3889 4.3889 4.4411 4.4411 4.6711 4.6711 4.7559 4.7559 4.8079 4.8079 4.8940 4.8940 4.9726 4.9726 5.7508 5.7508 5.7988 5.7988 6.0951 6.0951 8.2965 8.2965 8.4788 8.4788 9.0409 9.0409 9.2795 9.2795 9.3170 9.3170 10.8233 10.8233 10.8364 10.8364 k = 0.5000 0.5000 0.2414 ( 5960 PWs) bands (ev): -61.7094 -61.7094 -34.6228 -34.6228 -25.9713 -25.9713 -25.9702 -25.9702 -6.5271 -6.5271 -6.3584 -6.3584 -6.2726 -6.2726 -6.2155 -6.2155 1.1994 1.1994 1.3187 1.3187 1.3674 1.3674 1.6683 1.6683 2.4829 2.4829 2.4929 2.4929 2.6036 2.6036 2.6332 2.6332 2.8383 2.8383 2.8577 2.8577 3.0129 3.0129 3.0903 3.0903 3.9499 3.9499 4.1018 4.1018 4.2166 4.2166 4.2524 4.2524 4.2976 4.2976 4.3901 4.3901 4.4456 4.4456 4.6571 4.6571 4.7465 4.7465 4.7930 4.7930 4.8880 4.8880 4.9664 4.9664 5.7883 5.7883 5.8351 5.8351 6.1055 6.1055 8.2916 8.2916 8.4701 8.4701 9.0669 9.0669 9.2791 9.2791 9.3176 9.3176 10.7842 10.7842 10.7988 10.7988 k = 0.5000 0.5000 0.2586 ( 5964 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9713 -25.9713 -25.9703 -25.9703 -6.5192 -6.5192 -6.3582 -6.3582 -6.2722 -6.2722 -6.2196 -6.2196 1.1973 1.1973 1.3066 1.3066 1.3563 1.3563 1.6343 1.6343 2.4901 2.4901 2.4992 2.4992 2.6162 2.6162 2.6446 2.6446 2.8435 2.8435 2.8654 2.8654 3.0145 3.0145 3.0886 3.0886 3.9610 3.9610 4.1014 4.1014 4.2215 4.2215 4.2513 4.2513 4.2980 4.2980 4.3910 4.3910 4.4503 4.4503 4.6432 4.6432 4.7372 4.7372 4.7774 4.7774 4.8813 4.8813 4.9590 4.9590 5.8267 5.8267 5.8719 5.8719 6.1160 6.1160 8.2887 8.2887 8.4615 8.4615 9.0905 9.0905 9.2773 9.2773 9.3164 9.3164 10.7468 10.7468 10.7627 10.7627 k = 0.5000 0.5000 0.2759 ( 5964 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9713 -25.9713 -25.9704 -25.9704 -6.5111 -6.5111 -6.3582 -6.3582 -6.2718 -6.2718 -6.2240 -6.2240 1.1950 1.1950 1.2952 1.2952 1.3454 1.3454 1.6015 1.6015 2.4977 2.4977 2.5058 2.5058 2.6289 2.6289 2.6562 2.6562 2.8376 2.8376 2.8823 2.8823 3.0162 3.0162 3.0864 3.0864 3.9711 3.9711 4.1031 4.1031 4.2264 4.2264 4.2500 4.2500 4.2992 4.2992 4.3915 4.3915 4.4553 4.4553 4.6295 4.6295 4.7282 4.7282 4.7614 4.7614 4.8740 4.8740 4.9502 4.9502 5.8654 5.8654 5.9088 5.9088 6.1266 6.1266 8.2881 8.2881 8.4532 8.4532 9.1115 9.1115 9.2738 9.2738 9.3134 9.3134 10.7116 10.7116 10.7281 10.7281 k = 0.5000 0.5000 0.2931 ( 5968 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9713 -25.9713 -25.9705 -25.9705 -6.5028 -6.5028 -6.3583 -6.3583 -6.2714 -6.2714 -6.2285 -6.2285 1.1924 1.1924 1.2847 1.2847 1.3348 1.3348 1.5701 1.5701 2.5056 2.5056 2.5126 2.5126 2.6417 2.6417 2.6677 2.6677 2.8303 2.8303 2.8985 2.8985 3.0180 3.0180 3.0839 3.0839 3.9797 3.9797 4.1071 4.1071 4.2311 4.2311 4.2486 4.2486 4.3009 4.3009 4.3914 4.3914 4.4605 4.4605 4.6164 4.6164 4.7193 4.7193 4.7455 4.7455 4.8665 4.8665 4.9401 4.9401 5.9039 5.9039 5.9454 5.9454 6.1369 6.1369 8.2896 8.2896 8.4450 8.4450 9.1294 9.1294 9.2686 9.2686 9.3084 9.3084 10.6786 10.6786 10.6957 10.6957 k = 0.5000 0.5000 0.3103 ( 5968 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9713 -25.9713 -25.9707 -25.9707 -6.4944 -6.4944 -6.3586 -6.3586 -6.2709 -6.2709 -6.2331 -6.2331 1.1894 1.1894 1.2754 1.2754 1.3245 1.3245 1.5400 1.5400 2.5137 2.5137 2.5197 2.5197 2.6542 2.6542 2.6792 2.6792 2.8228 2.8228 2.9128 2.9128 3.0202 3.0202 3.0810 3.0810 3.9867 3.9867 4.1136 4.1136 4.2358 4.2358 4.2473 4.2473 4.3031 4.3031 4.3906 4.3906 4.4657 4.4657 4.6040 4.6040 4.7105 4.7105 4.7299 4.7299 4.8588 4.8588 4.9286 4.9286 5.9419 5.9419 5.9813 5.9813 6.1471 6.1471 8.2931 8.2931 8.4372 8.4372 9.1440 9.1440 9.2618 9.2618 9.3015 9.3015 10.6480 10.6480 10.6662 10.6662 k = 0.5000 0.5000 0.3276 ( 5980 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9713 -25.9713 -25.9708 -25.9708 -6.4859 -6.4859 -6.3590 -6.3590 -6.2706 -6.2706 -6.2378 -6.2378 1.1861 1.1861 1.2676 1.2676 1.3148 1.3148 1.5115 1.5115 2.5219 2.5219 2.5269 2.5269 2.6664 2.6664 2.6904 2.6904 2.8153 2.8153 2.9250 2.9250 3.0227 3.0227 3.0778 3.0778 3.9918 3.9918 4.1225 4.1225 4.2401 4.2401 4.2461 4.2461 4.3055 4.3055 4.3889 4.3889 4.4709 4.4709 4.5928 4.5928 4.7012 4.7012 4.7156 4.7156 4.8510 4.8510 4.9159 4.9159 5.9787 5.9787 6.0160 6.0160 6.1571 6.1571 8.2986 8.2986 8.4297 8.4297 9.1551 9.1551 9.2535 9.2535 9.2928 9.2928 10.6203 10.6203 10.6404 10.6404 k = 0.5000 0.5000 0.3448 ( 5972 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9713 -25.9713 -25.9709 -25.9709 -6.4774 -6.4774 -6.3596 -6.3596 -6.2702 -6.2702 -6.2424 -6.2424 1.1824 1.1824 1.2614 1.2614 1.3057 1.3057 1.4847 1.4847 2.5300 2.5300 2.5341 2.5341 2.6781 2.6781 2.7012 2.7012 2.8082 2.8082 2.9351 2.9351 3.0255 3.0255 3.0743 3.0743 3.9955 3.9955 4.1335 4.1335 4.2440 4.2440 4.2454 4.2454 4.3084 4.3084 4.3862 4.3862 4.4761 4.4761 4.5829 4.5829 4.6907 4.6907 4.7037 4.7037 4.8434 4.8434 4.9023 4.9023 6.0140 6.0140 6.0490 6.0490 6.1667 6.1667 8.3057 8.3057 8.4226 8.4226 9.1627 9.1627 9.2439 9.2439 9.2827 9.2827 10.5966 10.5966 10.6185 10.6185 k = 0.5000 0.5000 0.3621 ( 5956 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9713 -25.9713 -25.9709 -25.9709 -6.4690 -6.4690 -6.3605 -6.3605 -6.2699 -6.2699 -6.2470 -6.2470 1.1784 1.1784 1.2570 1.2570 1.2973 1.2973 1.4595 1.4595 2.5380 2.5380 2.5413 2.5413 2.6891 2.6891 2.7113 2.7113 2.8018 2.8018 2.9431 2.9431 3.0287 3.0287 3.0706 3.0706 3.9979 3.9979 4.1460 4.1460 4.2443 4.2443 4.2480 4.2480 4.3114 4.3114 4.3824 4.3824 4.4813 4.4813 4.5745 4.5745 4.6790 4.6790 4.6946 4.6946 4.8362 4.8362 4.8879 4.8879 6.0473 6.0473 6.0796 6.0796 6.1761 6.1761 8.3143 8.3143 8.4160 8.4160 9.1672 9.1672 9.2336 9.2336 9.2712 9.2712 10.5773 10.5773 10.6003 10.6003 k = 0.5000 0.5000 0.3793 ( 5956 PWs) bands (ev): -61.7094 -61.7094 -34.6229 -34.6229 -25.9713 -25.9713 -25.9710 -25.9710 -6.4607 -6.4607 -6.3616 -6.3616 -6.2696 -6.2696 -6.2513 -6.2513 1.1742 1.1742 1.2542 1.2542 1.2896 1.2896 1.4362 1.4362 2.5455 2.5455 2.5482 2.5482 2.6993 2.6993 2.7202 2.7202 2.7961 2.7961 2.9491 2.9491 3.0322 3.0322 3.0668 3.0668 3.9993 3.9993 4.1595 4.1595 4.2437 4.2437 4.2513 4.2513 4.3147 4.3147 4.3773 4.3773 4.4863 4.4863 4.5674 4.5674 4.6675 4.6675 4.6872 4.6872 4.8293 4.8293 4.8731 4.8731 6.0780 6.0780 6.1074 6.1074 6.1852 6.1852 8.3237 8.3237 8.4099 8.4099 9.1690 9.1690 9.2227 9.2227 9.2587 9.2587 10.5626 10.5626 10.5854 10.5854 k = 0.5000 0.5000 0.3966 ( 5956 PWs) bands (ev): -61.7094 -61.7094 -34.6230 -34.6230 -25.9713 -25.9713 -25.9711 -25.9711 -6.4528 -6.4528 -6.3629 -6.3629 -6.2693 -6.2693 -6.2554 -6.2554 1.1700 1.1700 1.2531 1.2531 1.2829 1.2829 1.4149 1.4149 2.5526 2.5526 2.5547 2.5547 2.7085 2.7085 2.7275 2.7275 2.7918 2.7918 2.9534 2.9534 3.0357 3.0357 3.0630 3.0630 4.0001 4.0001 4.1734 4.1734 4.2434 4.2434 4.2541 4.2541 4.3179 4.3179 4.3712 4.3712 4.4912 4.4912 4.5614 4.5614 4.6574 4.6574 4.6808 4.6808 4.8229 4.8229 4.8583 4.8583 6.1057 6.1057 6.1315 6.1315 6.1943 6.1943 8.3337 8.3337 8.4044 8.4044 9.1689 9.1689 9.2120 9.2120 9.2457 9.2457 10.5522 10.5522 10.5735 10.5735 k = 0.5000 0.5000 0.4138 ( 5956 PWs) bands (ev): -61.7094 -61.7094 -34.6230 -34.6230 -25.9713 -25.9713 -25.9711 -25.9711 -6.4454 -6.4454 -6.3646 -6.3646 -6.2690 -6.2690 -6.2591 -6.2591 1.1660 1.1660 1.2534 1.2534 1.2770 1.2770 1.3956 1.3956 2.5590 2.5590 2.5606 2.5606 2.7166 2.7166 2.7327 2.7327 2.7891 2.7891 2.9563 2.9563 3.0391 3.0391 3.0594 3.0594 4.0006 4.0006 4.1873 4.1873 4.2431 4.2431 4.2565 4.2565 4.3211 4.3211 4.3642 4.3642 4.4962 4.4962 4.5560 4.5560 4.6495 4.6495 4.6751 4.6751 4.8173 4.8173 4.8441 4.8441 6.1299 6.1299 6.1513 6.1513 6.2036 6.2036 8.3437 8.3437 8.3994 8.3994 9.1676 9.1676 9.2019 9.2019 9.2324 9.2324 10.5456 10.5456 10.5642 10.5642 k = 0.5000 0.5000 0.4310 ( 5956 PWs) bands (ev): -61.7094 -61.7094 -34.6230 -34.6230 -25.9713 -25.9713 -25.9712 -25.9712 -6.4386 -6.4386 -6.3664 -6.3664 -6.2688 -6.2688 -6.2623 -6.2623 1.1625 1.1625 1.2549 1.2549 1.2722 1.2722 1.3787 1.3787 2.5646 2.5646 2.5658 2.5658 2.7234 2.7234 2.7356 2.7356 2.7884 2.7884 2.9582 2.9582 3.0422 3.0422 3.0561 3.0561 4.0008 4.0008 4.2007 4.2007 4.2428 4.2428 4.2584 4.2584 4.3240 4.3240 4.3566 4.3566 4.5014 4.5014 4.5507 4.5507 4.6442 4.6442 4.6699 4.6699 4.8124 4.8124 4.8311 4.8311 6.1504 6.1504 6.1663 6.1663 6.2130 6.2130 8.3532 8.3532 8.3950 8.3950 9.1658 9.1658 9.1930 9.1930 9.2196 9.2196 10.5420 10.5420 10.5570 10.5570 k = 0.5000 0.5000 0.4483 ( 5956 PWs) bands (ev): -61.7094 -61.7094 -34.6230 -34.6230 -25.9713 -25.9713 -25.9712 -25.9712 -6.4327 -6.4327 -6.3682 -6.3682 -6.2687 -6.2687 -6.2649 -6.2649 1.1595 1.1595 1.2572 1.2572 1.2683 1.2683 1.3645 1.3645 2.5693 2.5693 2.5700 2.5700 2.7288 2.7288 2.7367 2.7367 2.7891 2.7891 2.9594 2.9594 3.0447 3.0447 3.0532 3.0532 4.0008 4.0008 4.2129 4.2129 4.2424 4.2424 4.2598 4.2598 4.3266 4.3266 4.3491 4.3491 4.5069 4.5069 4.5449 4.5449 4.6416 4.6416 4.6653 4.6653 4.8085 4.8085 4.8200 4.8200 6.1667 6.1667 6.1768 6.1768 6.2220 6.2220 8.3618 8.3618 8.3910 8.3910 9.1642 9.1642 9.1861 9.1861 9.2076 9.2076 10.5405 10.5405 10.5516 10.5516 k = 0.5000 0.5000 0.4655 ( 5956 PWs) bands (ev): -61.7094 -61.7094 -34.6230 -34.6230 -25.9713 -25.9713 -25.9713 -25.9713 -6.4281 -6.4281 -6.3699 -6.3699 -6.2686 -6.2686 -6.2669 -6.2669 1.1573 1.1573 1.2598 1.2598 1.2656 1.2656 1.3534 1.3534 2.5727 2.5727 2.5731 2.5731 2.7328 2.7328 2.7366 2.7366 2.7904 2.7904 2.9600 2.9600 3.0466 3.0466 3.0510 3.0510 4.0008 4.0008 4.2233 4.2233 4.2416 4.2416 4.2609 4.2609 4.3289 4.3289 4.3423 4.3423 4.5127 4.5127 4.5387 4.5387 4.6411 4.6411 4.6613 4.6613 4.8056 4.8056 4.8113 4.8113 6.1786 6.1786 6.1834 6.1834 6.2295 6.2295 8.3692 8.3692 8.3874 8.3874 9.1630 9.1630 9.1817 9.1817 9.1972 9.1972 10.5404 10.5404 10.5477 10.5477 k = 0.5000 0.5000 0.4828 ( 5940 PWs) bands (ev): -61.7094 -61.7094 -34.6230 -34.6230 -25.9713 -25.9713 -25.9713 -25.9713 -6.4251 -6.4251 -6.3711 -6.3711 -6.2685 -6.2685 -6.2680 -6.2680 1.1560 1.1560 1.2619 1.2619 1.2639 1.2639 1.3463 1.3463 2.5749 2.5749 2.5751 2.5751 2.7352 2.7352 2.7362 2.7362 2.7916 2.7916 2.9603 2.9603 3.0479 3.0479 3.0496 3.0496 4.0009 4.0009 4.2314 4.2314 4.2400 4.2400 4.2615 4.2615 4.3309 4.3309 4.3369 4.3369 4.5189 4.5189 4.5321 4.5321 4.6417 4.6417 4.6583 4.6583 4.8039 4.8039 4.8058 4.8058 6.1858 6.1858 6.1871 6.1871 6.2344 6.2344 8.3752 8.3752 8.3839 8.3839 9.1622 9.1622 9.1807 9.1807 9.1889 9.1889 10.5413 10.5413 10.5448 10.5448 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -61.7093 -61.7093 -34.6229 -34.6229 -25.9712 -25.9712 -25.9712 -25.9712 -6.4240 -6.4240 -6.3716 -6.3716 -6.2684 -6.2684 -6.2684 -6.2684 1.1555 1.1555 1.2630 1.2630 1.2630 1.2630 1.3438 1.3438 2.5757 2.5757 2.5757 2.5757 2.7361 2.7361 2.7361 2.7361 2.7921 2.7921 2.9604 2.9604 3.0487 3.0487 3.0487 3.0487 4.0010 4.0010 4.2370 4.2370 4.2370 4.2370 4.2619 4.2619 4.3334 4.3334 4.3334 4.3334 4.5255 4.5255 4.5255 4.5255 4.6423 4.6423 4.6571 4.6571 4.8037 4.8037 4.8037 4.8037 6.1882 6.1882 6.1882 6.1882 6.2361 6.2361 8.3800 8.3800 8.3800 8.3800 9.1620 9.1620 9.1832 9.1832 9.1832 9.1832 10.5427 10.5427 10.5427 10.5427 Writing output data file TaCu3S4.save init_run : 2.23s CPU 14.70s WALL ( 1 calls) electrons : 1333.76s CPU 1354.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.40s CPU 1.46s WALL ( 1 calls) Called by electrons: c_bands : 1333.71s CPU 1354.56s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.94s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.04s CPU 0.58s WALL ( 1 calls) newd : 0.79s CPU 0.89s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.11s WALL ( 225 calls) cegterg : 1275.22s CPU 1293.69s WALL ( 630 calls) Called by sum_band: Called by *egterg: h_psi : 398.56s CPU 408.85s WALL ( 11168 calls) s_psi : 81.52s CPU 82.05s WALL ( 11168 calls) g_psi : 1.05s CPU 1.28s WALL ( 10313 calls) cdiaghg : 609.81s CPU 612.49s WALL ( 10538 calls) cegterg:over : 105.95s CPU 104.64s WALL ( 10313 calls) cegterg:upda : 30.37s CPU 33.15s WALL ( 10313 calls) cegterg:last : 22.10s CPU 22.52s WALL ( 1396 calls) Called by h_psi: h_psi:vloc : 250.59s CPU 257.11s WALL ( 11168 calls) h_psi:vnl : 147.50s CPU 150.67s WALL ( 11168 calls) add_vuspsi : 59.99s CPU 64.00s WALL ( 11168 calls) General routines calbec : 87.43s CPU 86.54s WALL ( 11168 calls) fft : 0.40s CPU 1.12s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 238.33s CPU 241.42s WALL ( 1375492 calls) interpolate : 0.07s CPU 0.07s WALL ( 4 calls) davcio : 0.02s CPU 1.23s WALL ( 450 calls) Parallel routines fft_scatter : 160.09s CPU 159.15s WALL ( 1375515 calls) PWSCF : 23m22.47s CPU 25m34.87s WALL This run was terminated on: 15:43:44 1Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=