Program PWSCF v.5.1.1 starts on 31Oct2015 at 5:12:47 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: ./VCu3S4.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 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 110 32 9 6034 963 149 Max 112 33 10 6038 987 154 Sum 5297 1581 457 289715 46897 7249 bravais-lattice index = 14 lattice parameter (alat) = 10.1478 a.u. unit-cell volume = 1045.0074 (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 = 48.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.147829 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 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 PseudoPot. # 3 for V read from file: /home/autes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 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 1181 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) Cu 11.00 63.54600 Cu( 1.00) V 13.00 50.94150 V( 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= 231 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 2) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0043290 k( 3) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0043290 k( 4) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0043290 k( 5) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0043290 k( 6) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0043290 k( 7) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0043290 k( 8) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0043290 k( 9) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0043290 k( 10) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0043290 k( 11) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0043290 k( 12) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0043290 k( 13) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0043290 k( 14) = ( 0.0000000 0.2166667 -0.0000000), wk = 0.0043290 k( 15) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0043290 k( 16) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0043290 k( 17) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0043290 k( 18) = ( 0.0000000 0.2833333 -0.0000000), wk = 0.0043290 k( 19) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0043290 k( 20) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0043290 k( 21) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0043290 k( 22) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0043290 k( 23) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0043290 k( 24) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0043290 k( 25) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0043290 k( 26) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0043290 k( 27) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0043290 k( 28) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0043290 k( 29) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0043290 k( 30) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0043290 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043290 k( 32) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043290 k( 33) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0043290 k( 34) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0043290 k( 35) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0043290 k( 36) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0043290 k( 37) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0043290 k( 38) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0043290 k( 39) = ( 0.1166667 0.5000000 -0.0000000), wk = 0.0043290 k( 40) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0043290 k( 41) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0043290 k( 42) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0043290 k( 43) = ( 0.1833333 0.5000000 -0.0000000), wk = 0.0043290 k( 44) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0043290 k( 45) = ( 0.2166667 0.5000000 -0.0000000), wk = 0.0043290 k( 46) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0043290 k( 47) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0043290 k( 48) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0043290 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0043290 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0043290 k( 51) = ( 0.3166667 0.5000000 -0.0000000), wk = 0.0043290 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0043290 k( 53) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0043290 k( 54) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0043290 k( 55) = ( 0.3833333 0.5000000 -0.0000000), wk = 0.0043290 k( 56) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0043290 k( 57) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0043290 k( 58) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0043290 k( 59) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0043290 k( 60) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0043290 k( 61) = ( 0.4833333 0.5000000 -0.0000000), wk = 0.0043290 k( 62) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043290 k( 63) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043290 k( 64) = ( 0.4880952 0.4880952 -0.0000000), wk = 0.0043290 k( 65) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0043290 k( 66) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0043290 k( 67) = ( 0.4523810 0.4523809 -0.0000000), wk = 0.0043290 k( 68) = ( 0.4404762 0.4404762 -0.0000000), wk = 0.0043290 k( 69) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0043290 k( 70) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0043290 k( 71) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0043290 k( 72) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0043290 k( 73) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0043290 k( 74) = ( 0.3690476 0.3690476 -0.0000000), wk = 0.0043290 k( 75) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0043290 k( 76) = ( 0.3452381 0.3452381 -0.0000000), wk = 0.0043290 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043290 k( 78) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0043290 k( 79) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0043290 k( 80) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0043290 k( 81) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0043290 k( 82) = ( 0.2738095 0.2738095 -0.0000000), wk = 0.0043290 k( 83) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0043290 k( 84) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0043290 k( 85) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0043290 k( 86) = ( 0.2261905 0.2261905 -0.0000000), wk = 0.0043290 k( 87) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0043290 k( 88) = ( 0.2023810 0.2023809 -0.0000000), wk = 0.0043290 k( 89) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0043290 k( 90) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0043290 k( 91) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0043290 k( 92) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0043290 k( 93) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0043290 k( 94) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0043290 k( 95) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0043290 k( 96) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0043290 k( 97) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0043290 k( 98) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0043290 k( 99) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0043290 k( 100) = ( 0.0595238 0.0595238 -0.0000000), wk = 0.0043290 k( 101) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0043290 k( 102) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0043290 k( 103) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0043290 k( 104) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0043290 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 107) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0043290 k( 108) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0043290 k( 109) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0043290 k( 110) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0043290 k( 111) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0043290 k( 112) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0043290 k( 113) = ( 0.0686275 0.0686275 0.0686274), wk = 0.0043290 k( 114) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0043290 k( 115) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0043290 k( 116) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0043290 k( 117) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0043290 k( 118) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0043290 k( 119) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0043290 k( 120) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0043290 k( 121) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0043290 k( 122) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0043290 k( 123) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0043290 k( 124) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0043290 k( 125) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0043290 k( 126) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0043290 k( 127) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0043290 k( 128) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0043290 k( 129) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0043290 k( 130) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0043290 k( 131) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0043290 k( 132) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0043290 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0043290 k( 134) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0043290 k( 135) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0043290 k( 136) = ( 0.2941177 0.2941176 0.2941176), wk = 0.0043290 k( 137) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0043290 k( 138) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0043290 k( 139) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0043290 k( 140) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0043290 k( 141) = ( 0.3431373 0.3431372 0.3431372), wk = 0.0043290 k( 142) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0043290 k( 143) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0043290 k( 144) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0043290 k( 145) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0043290 k( 146) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0043290 k( 147) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0043290 k( 148) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0043290 k( 149) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0043290 k( 150) = ( 0.4313726 0.4313725 0.4313725), wk = 0.0043290 k( 151) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0043290 k( 152) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0043290 k( 153) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0043290 k( 154) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0043290 k( 155) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0043290 k( 156) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0043290 k( 157) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 158) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 159) = ( 0.4880952 0.5000000 0.4880952), wk = 0.0043290 k( 160) = ( 0.4761905 0.5000000 0.4761905), wk = 0.0043290 k( 161) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0043290 k( 162) = ( 0.4523810 0.5000000 0.4523809), wk = 0.0043290 k( 163) = ( 0.4404762 0.5000000 0.4404762), wk = 0.0043290 k( 164) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0043290 k( 165) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0043290 k( 166) = ( 0.4047619 0.5000000 0.4047619), wk = 0.0043290 k( 167) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0043290 k( 168) = ( 0.3809524 0.5000000 0.3809524), wk = 0.0043290 k( 169) = ( 0.3690476 0.5000000 0.3690476), wk = 0.0043290 k( 170) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0043290 k( 171) = ( 0.3452381 0.5000000 0.3452381), wk = 0.0043290 k( 172) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0043290 k( 173) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0043290 k( 174) = ( 0.3095238 0.5000000 0.3095238), wk = 0.0043290 k( 175) = ( 0.2976190 0.5000000 0.2976190), wk = 0.0043290 k( 176) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0043290 k( 177) = ( 0.2738095 0.5000000 0.2738095), wk = 0.0043290 k( 178) = ( 0.2619048 0.5000000 0.2619048), wk = 0.0043290 k( 179) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0043290 k( 180) = ( 0.2380952 0.5000000 0.2380952), wk = 0.0043290 k( 181) = ( 0.2261905 0.5000000 0.2261905), wk = 0.0043290 k( 182) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0043290 k( 183) = ( 0.2023810 0.5000000 0.2023809), wk = 0.0043290 k( 184) = ( 0.1904762 0.5000000 0.1904762), wk = 0.0043290 k( 185) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0043290 k( 186) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0043290 k( 187) = ( 0.1547619 0.5000000 0.1547619), wk = 0.0043290 k( 188) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0043290 k( 189) = ( 0.1309524 0.5000000 0.1309524), wk = 0.0043290 k( 190) = ( 0.1190476 0.5000000 0.1190476), wk = 0.0043290 k( 191) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0043290 k( 192) = ( 0.0952381 0.5000000 0.0952381), wk = 0.0043290 k( 193) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0043290 k( 194) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0043290 k( 195) = ( 0.0595238 0.5000000 0.0595238), wk = 0.0043290 k( 196) = ( 0.0476191 0.5000000 0.0476190), wk = 0.0043290 k( 197) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0043290 k( 198) = ( 0.0238095 0.5000000 0.0238095), wk = 0.0043290 k( 199) = ( 0.0119048 0.5000000 0.0119048), wk = 0.0043290 k( 200) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043290 k( 201) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043290 k( 202) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0043290 k( 203) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0043290 k( 204) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0043290 k( 205) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0043290 k( 206) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0043290 k( 207) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0043290 k( 208) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0043290 k( 209) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0043290 k( 210) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0043290 k( 211) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0043290 k( 212) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0043290 k( 213) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0043290 k( 214) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0043290 k( 215) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0043290 k( 216) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0043290 k( 217) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0043290 k( 218) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0043290 k( 219) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0043290 k( 220) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0043290 k( 221) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0043290 k( 222) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0043290 k( 223) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0043290 k( 224) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0043290 k( 225) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0043290 k( 226) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0043290 k( 227) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0043290 k( 228) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0043290 k( 229) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0043290 k( 230) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0043290 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 2) = ( 0.0000000 0.0166667 0.0000000), wk = 0.0043290 k( 3) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0043290 k( 4) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0043290 k( 5) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0043290 k( 6) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0043290 k( 7) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0043290 k( 8) = ( 0.0000000 0.1166667 0.0000000), wk = 0.0043290 k( 9) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0043290 k( 10) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0043290 k( 11) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0043290 k( 12) = ( 0.0000000 0.1833333 0.0000000), wk = 0.0043290 k( 13) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0043290 k( 14) = ( 0.0000000 0.2166667 0.0000000), wk = 0.0043290 k( 15) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0043290 k( 16) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0043290 k( 17) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0043290 k( 18) = ( 0.0000000 0.2833333 0.0000000), wk = 0.0043290 k( 19) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0043290 k( 20) = ( 0.0000000 0.3166667 0.0000000), wk = 0.0043290 k( 21) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0043290 k( 22) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0043290 k( 23) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0043290 k( 24) = ( 0.0000000 0.3833333 0.0000000), wk = 0.0043290 k( 25) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0043290 k( 26) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0043290 k( 27) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0043290 k( 28) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0043290 k( 29) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0043290 k( 30) = ( 0.0000000 0.4833333 0.0000000), wk = 0.0043290 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043290 k( 32) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043290 k( 33) = ( 0.0166667 0.5000000 0.0000000), wk = 0.0043290 k( 34) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0043290 k( 35) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0043290 k( 36) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0043290 k( 37) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0043290 k( 38) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0043290 k( 39) = ( 0.1166667 0.5000000 0.0000000), wk = 0.0043290 k( 40) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0043290 k( 41) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0043290 k( 42) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0043290 k( 43) = ( 0.1833333 0.5000000 0.0000000), wk = 0.0043290 k( 44) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0043290 k( 45) = ( 0.2166667 0.5000000 0.0000000), wk = 0.0043290 k( 46) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0043290 k( 47) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0043290 k( 48) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0043290 k( 49) = ( 0.2833333 0.5000000 0.0000000), wk = 0.0043290 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0043290 k( 51) = ( 0.3166667 0.5000000 0.0000000), wk = 0.0043290 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0043290 k( 53) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0043290 k( 54) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0043290 k( 55) = ( 0.3833333 0.5000000 0.0000000), wk = 0.0043290 k( 56) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0043290 k( 57) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0043290 k( 58) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0043290 k( 59) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0043290 k( 60) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0043290 k( 61) = ( 0.4833333 0.5000000 0.0000000), wk = 0.0043290 k( 62) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 63) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 64) = ( 0.4880952 0.4880952 0.0000000), wk = 0.0043290 k( 65) = ( 0.4761905 0.4761905 0.0000000), wk = 0.0043290 k( 66) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0043290 k( 67) = ( 0.4523810 0.4523810 0.0000000), wk = 0.0043290 k( 68) = ( 0.4404762 0.4404762 0.0000000), wk = 0.0043290 k( 69) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0043290 k( 70) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0043290 k( 71) = ( 0.4047619 0.4047619 0.0000000), wk = 0.0043290 k( 72) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0043290 k( 73) = ( 0.3809524 0.3809524 0.0000000), wk = 0.0043290 k( 74) = ( 0.3690476 0.3690476 0.0000000), wk = 0.0043290 k( 75) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0043290 k( 76) = ( 0.3452381 0.3452381 0.0000000), wk = 0.0043290 k( 77) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0043290 k( 78) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0043290 k( 79) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0043290 k( 80) = ( 0.2976190 0.2976190 0.0000000), wk = 0.0043290 k( 81) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0043290 k( 82) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0043290 k( 83) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0043290 k( 84) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0043290 k( 85) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0043290 k( 86) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0043290 k( 87) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0043290 k( 88) = ( 0.2023810 0.2023810 0.0000000), wk = 0.0043290 k( 89) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0043290 k( 90) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0043290 k( 91) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0043290 k( 92) = ( 0.1547619 0.1547619 0.0000000), wk = 0.0043290 k( 93) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0043290 k( 94) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0043290 k( 95) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0043290 k( 96) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0043290 k( 97) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0043290 k( 98) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0043290 k( 99) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0043290 k( 100) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0043290 k( 101) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0043290 k( 102) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0043290 k( 103) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0043290 k( 104) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0043290 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 107) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0043290 k( 108) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0043290 k( 109) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0043290 k( 110) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0043290 k( 111) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0043290 k( 112) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0043290 k( 113) = ( 0.0686275 0.0686275 0.0686275), wk = 0.0043290 k( 114) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0043290 k( 115) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0043290 k( 116) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0043290 k( 117) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0043290 k( 118) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0043290 k( 119) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0043290 k( 120) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0043290 k( 121) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0043290 k( 122) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0043290 k( 123) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0043290 k( 124) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0043290 k( 125) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0043290 k( 126) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0043290 k( 127) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0043290 k( 128) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0043290 k( 129) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0043290 k( 130) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0043290 k( 131) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0043290 k( 132) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0043290 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0043290 k( 134) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0043290 k( 135) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0043290 k( 136) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0043290 k( 137) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0043290 k( 138) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0043290 k( 139) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0043290 k( 140) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0043290 k( 141) = ( 0.3431373 0.3431373 0.3431373), wk = 0.0043290 k( 142) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0043290 k( 143) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0043290 k( 144) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0043290 k( 145) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0043290 k( 146) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0043290 k( 147) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0043290 k( 148) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0043290 k( 149) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0043290 k( 150) = ( 0.4313726 0.4313726 0.4313726), wk = 0.0043290 k( 151) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0043290 k( 152) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0043290 k( 153) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0043290 k( 154) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0043290 k( 155) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0043290 k( 156) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0043290 k( 157) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 158) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 159) = ( 0.4880952 0.5000000 0.4880952), wk = 0.0043290 k( 160) = ( 0.4761905 0.5000000 0.4761905), wk = 0.0043290 k( 161) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0043290 k( 162) = ( 0.4523810 0.5000000 0.4523810), wk = 0.0043290 k( 163) = ( 0.4404762 0.5000000 0.4404762), wk = 0.0043290 k( 164) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0043290 k( 165) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0043290 k( 166) = ( 0.4047619 0.5000000 0.4047619), wk = 0.0043290 k( 167) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0043290 k( 168) = ( 0.3809524 0.5000000 0.3809524), wk = 0.0043290 k( 169) = ( 0.3690476 0.5000000 0.3690476), wk = 0.0043290 k( 170) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0043290 k( 171) = ( 0.3452381 0.5000000 0.3452381), wk = 0.0043290 k( 172) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0043290 k( 173) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0043290 k( 174) = ( 0.3095238 0.5000000 0.3095238), wk = 0.0043290 k( 175) = ( 0.2976190 0.5000000 0.2976190), wk = 0.0043290 k( 176) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0043290 k( 177) = ( 0.2738095 0.5000000 0.2738095), wk = 0.0043290 k( 178) = ( 0.2619048 0.5000000 0.2619048), wk = 0.0043290 k( 179) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0043290 k( 180) = ( 0.2380952 0.5000000 0.2380952), wk = 0.0043290 k( 181) = ( 0.2261905 0.5000000 0.2261905), wk = 0.0043290 k( 182) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0043290 k( 183) = ( 0.2023810 0.5000000 0.2023810), wk = 0.0043290 k( 184) = ( 0.1904762 0.5000000 0.1904762), wk = 0.0043290 k( 185) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0043290 k( 186) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0043290 k( 187) = ( 0.1547619 0.5000000 0.1547619), wk = 0.0043290 k( 188) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0043290 k( 189) = ( 0.1309524 0.5000000 0.1309524), wk = 0.0043290 k( 190) = ( 0.1190476 0.5000000 0.1190476), wk = 0.0043290 k( 191) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0043290 k( 192) = ( 0.0952381 0.5000000 0.0952381), wk = 0.0043290 k( 193) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0043290 k( 194) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0043290 k( 195) = ( 0.0595238 0.5000000 0.0595238), wk = 0.0043290 k( 196) = ( 0.0476191 0.5000000 0.0476191), wk = 0.0043290 k( 197) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0043290 k( 198) = ( 0.0238095 0.5000000 0.0238095), wk = 0.0043290 k( 199) = ( 0.0119048 0.5000000 0.0119048), wk = 0.0043290 k( 200) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043290 k( 201) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 202) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0043290 k( 203) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0043290 k( 204) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0043290 k( 205) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0043290 k( 206) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0043290 k( 207) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0043290 k( 208) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0043290 k( 209) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0043290 k( 210) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0043290 k( 211) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0043290 k( 212) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0043290 k( 213) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0043290 k( 214) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0043290 k( 215) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0043290 k( 216) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0043290 k( 217) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0043290 k( 218) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0043290 k( 219) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0043290 k( 220) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0043290 k( 221) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0043290 k( 222) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0043290 k( 223) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0043290 k( 224) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0043290 k( 225) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0043290 k( 226) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0043290 k( 227) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0043290 k( 228) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0043290 k( 229) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0043290 k( 230) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0043290 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 Dense grid: 289715 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 46897 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 260, 84) NL pseudopotentials 0.54 Mb ( 130, 272) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.05 Mb ( 6035) G-vector shells 0.01 Mb ( 1152) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.33 Mb ( 260, 336) Each subspace H/S matrix 1.72 Mb ( 336, 336) Each matrix 0.70 Mb ( 272, 2, 84) The potential is recalculated from file : ./VCu3S4.save/charge-density.dat Starting wfc are 106 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.2 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 63.6 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 75.4 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: 1 eigenvalues not converged total cpu time spent up to now is 95.9 secs Computing kpt #: 6 total cpu time spent up to now is 104.6 secs Computing kpt #: 7 total cpu time spent up to now is 112.4 secs Computing kpt #: 8 total cpu time spent up to now is 119.9 secs Computing kpt #: 9 total cpu time spent up to now is 126.7 secs Computing kpt #: 10 total cpu time spent up to now is 132.4 secs Computing kpt #: 11 total cpu time spent up to now is 138.1 secs Computing kpt #: 12 total cpu time spent up to now is 143.4 secs Computing kpt #: 13 total cpu time spent up to now is 148.7 secs Computing kpt #: 14 total cpu time spent up to now is 153.9 secs Computing kpt #: 15 total cpu time spent up to now is 159.1 secs Computing kpt #: 16 total cpu time spent up to now is 164.1 secs Computing kpt #: 17 total cpu time spent up to now is 169.5 secs Computing kpt #: 18 total cpu time spent up to now is 174.7 secs Computing kpt #: 19 total cpu time spent up to now is 179.9 secs Computing kpt #: 20 total cpu time spent up to now is 187.6 secs Computing kpt #: 21 total cpu time spent up to now is 192.6 secs Computing kpt #: 22 total cpu time spent up to now is 197.8 secs Computing kpt #: 23 total cpu time spent up to now is 202.9 secs Computing kpt #: 24 total cpu time spent up to now is 208.2 secs Computing kpt #: 25 total cpu time spent up to now is 213.4 secs Computing kpt #: 26 total cpu time spent up to now is 218.6 secs Computing kpt #: 27 total cpu time spent up to now is 223.6 secs Computing kpt #: 28 total cpu time spent up to now is 240.3 secs Computing kpt #: 29 total cpu time spent up to now is 245.3 secs Computing kpt #: 30 total cpu time spent up to now is 250.3 secs Computing kpt #: 31 total cpu time spent up to now is 255.3 secs Computing kpt #: 32 total cpu time spent up to now is 260.3 secs Computing kpt #: 33 total cpu time spent up to now is 265.3 secs Computing kpt #: 34 total cpu time spent up to now is 270.4 secs Computing kpt #: 35 total cpu time spent up to now is 275.6 secs Computing kpt #: 36 total cpu time spent up to now is 280.8 secs Computing kpt #: 37 total cpu time spent up to now is 286.1 secs Computing kpt #: 38 total cpu time spent up to now is 291.4 secs Computing kpt #: 39 total cpu time spent up to now is 297.2 secs Computing kpt #: 40 total cpu time spent up to now is 303.0 secs Computing kpt #: 41 total cpu time spent up to now is 308.6 secs Computing kpt #: 42 total cpu time spent up to now is 314.6 secs Computing kpt #: 43 total cpu time spent up to now is 320.6 secs Computing kpt #: 44 total cpu time spent up to now is 326.6 secs Computing kpt #: 45 total cpu time spent up to now is 332.8 secs Computing kpt #: 46 total cpu time spent up to now is 339.4 secs Computing kpt #: 47 total cpu time spent up to now is 346.9 secs Computing kpt #: 48 total cpu time spent up to now is 356.7 secs Computing kpt #: 49 total cpu time spent up to now is 365.2 secs Computing kpt #: 50 total cpu time spent up to now is 374.0 secs Computing kpt #: 51 total cpu time spent up to now is 380.5 secs Computing kpt #: 52 total cpu time spent up to now is 387.0 secs Computing kpt #: 53 total cpu time spent up to now is 393.2 secs Computing kpt #: 54 total cpu time spent up to now is 399.0 secs Computing kpt #: 55 total cpu time spent up to now is 404.7 secs Computing kpt #: 56 total cpu time spent up to now is 410.5 secs Computing kpt #: 57 total cpu time spent up to now is 416.9 secs Computing kpt #: 58 total cpu time spent up to now is 422.7 secs Computing kpt #: 59 total cpu time spent up to now is 428.4 secs Computing kpt #: 60 total cpu time spent up to now is 434.2 secs Computing kpt #: 61 total cpu time spent up to now is 439.8 secs Computing kpt #: 62 total cpu time spent up to now is 445.1 secs Computing kpt #: 63 total cpu time spent up to now is 450.2 secs Computing kpt #: 64 total cpu time spent up to now is 455.8 secs Computing kpt #: 65 total cpu time spent up to now is 461.5 secs Computing kpt #: 66 total cpu time spent up to now is 467.2 secs Computing kpt #: 67 total cpu time spent up to now is 473.0 secs Computing kpt #: 68 total cpu time spent up to now is 478.7 secs Computing kpt #: 69 total cpu time spent up to now is 484.5 secs Computing kpt #: 70 total cpu time spent up to now is 490.2 secs Computing kpt #: 71 total cpu time spent up to now is 496.1 secs Computing kpt #: 72 total cpu time spent up to now is 502.4 secs Computing kpt #: 73 total cpu time spent up to now is 509.2 secs Computing kpt #: 74 total cpu time spent up to now is 519.7 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 531.2 secs Computing kpt #: 76 total cpu time spent up to now is 539.4 secs Computing kpt #: 77 total cpu time spent up to now is 547.5 secs Computing kpt #: 78 total cpu time spent up to now is 555.7 secs Computing kpt #: 79 total cpu time spent up to now is 563.7 secs Computing kpt #: 80 total cpu time spent up to now is 572.1 secs Computing kpt #: 81 total cpu time spent up to now is 580.4 secs Computing kpt #: 82 total cpu time spent up to now is 587.8 secs Computing kpt #: 83 total cpu time spent up to now is 595.6 secs Computing kpt #: 84 total cpu time spent up to now is 603.2 secs Computing kpt #: 85 total cpu time spent up to now is 610.7 secs Computing kpt #: 86 total cpu time spent up to now is 618.9 secs Computing kpt #: 87 total cpu time spent up to now is 627.4 secs Computing kpt #: 88 total cpu time spent up to now is 636.2 secs Computing kpt #: 89 total cpu time spent up to now is 644.9 secs Computing kpt #: 90 total cpu time spent up to now is 653.8 secs Computing kpt #: 91 total cpu time spent up to now is 663.3 secs Computing kpt #: 92 total cpu time spent up to now is 673.8 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 684.8 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 695.8 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 707.0 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 718.0 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 729.2 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 740.2 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 751.2 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 762.3 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 773.3 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 784.2 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 795.0 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 807.6 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 818.3 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 828.9 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 839.3 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 849.8 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 860.4 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 870.9 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 882.1 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 892.7 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 903.3 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 914.3 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 925.0 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 935.8 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 946.5 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 958.7 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 971.5 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 982.2 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 993.3 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1004.0 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1014.8 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1025.9 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1037.3 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1048.2 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1059.2 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1070.1 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1081.0 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1091.9 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1103.0 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1114.2 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1125.1 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1136.0 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1146.9 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1157.7 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1168.6 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1179.8 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1190.7 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1201.3 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1212.2 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1223.0 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1234.0 secs Computing kpt #: 144 total cpu time spent up to now is 1244.5 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1255.4 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1267.7 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1279.0 secs Computing kpt #: 148 total cpu time spent up to now is 1289.4 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1300.2 secs Computing kpt #: 150 total cpu time spent up to now is 1308.2 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1321.1 secs Computing kpt #: 152 total cpu time spent up to now is 1328.1 secs Computing kpt #: 153 total cpu time spent up to now is 1335.1 secs Computing kpt #: 154 total cpu time spent up to now is 1341.8 secs Computing kpt #: 155 total cpu time spent up to now is 1348.5 secs Computing kpt #: 156 total cpu time spent up to now is 1355.1 secs Computing kpt #: 157 total cpu time spent up to now is 1363.7 secs Computing kpt #: 158 total cpu time spent up to now is 1369.8 secs Computing kpt #: 159 total cpu time spent up to now is 1377.3 secs Computing kpt #: 160 total cpu time spent up to now is 1384.0 secs Computing kpt #: 161 total cpu time spent up to now is 1390.8 secs Computing kpt #: 162 total cpu time spent up to now is 1397.3 secs Computing kpt #: 163 total cpu time spent up to now is 1403.8 secs Computing kpt #: 164 total cpu time spent up to now is 1410.5 secs Computing kpt #: 165 total cpu time spent up to now is 1416.9 secs Computing kpt #: 166 total cpu time spent up to now is 1423.4 secs Computing kpt #: 167 total cpu time spent up to now is 1428.7 secs Computing kpt #: 168 total cpu time spent up to now is 1434.0 secs Computing kpt #: 169 total cpu time spent up to now is 1439.3 secs Computing kpt #: 170 total cpu time spent up to now is 1444.6 secs Computing kpt #: 171 total cpu time spent up to now is 1450.0 secs Computing kpt #: 172 total cpu time spent up to now is 1455.3 secs Computing kpt #: 173 total cpu time spent up to now is 1460.7 secs Computing kpt #: 174 total cpu time spent up to now is 1466.2 secs Computing kpt #: 175 total cpu time spent up to now is 1471.6 secs Computing kpt #: 176 total cpu time spent up to now is 1476.8 secs Computing kpt #: 177 total cpu time spent up to now is 1482.3 secs Computing kpt #: 178 total cpu time spent up to now is 1487.8 secs Computing kpt #: 179 total cpu time spent up to now is 1493.3 secs Computing kpt #: 180 total cpu time spent up to now is 1499.1 secs Computing kpt #: 181 total cpu time spent up to now is 1505.3 secs Computing kpt #: 182 total cpu time spent up to now is 1511.6 secs Computing kpt #: 183 total cpu time spent up to now is 1518.7 secs Computing kpt #: 184 total cpu time spent up to now is 1527.6 secs Computing kpt #: 185 total cpu time spent up to now is 1536.4 secs Computing kpt #: 186 total cpu time spent up to now is 1544.5 secs Computing kpt #: 187 total cpu time spent up to now is 1551.9 secs Computing kpt #: 188 total cpu time spent up to now is 1558.8 secs Computing kpt #: 189 total cpu time spent up to now is 1566.2 secs Computing kpt #: 190 total cpu time spent up to now is 1572.3 secs Computing kpt #: 191 total cpu time spent up to now is 1578.0 secs Computing kpt #: 192 total cpu time spent up to now is 1583.6 secs Computing kpt #: 193 total cpu time spent up to now is 1589.0 secs Computing kpt #: 194 total cpu time spent up to now is 1594.7 secs Computing kpt #: 195 total cpu time spent up to now is 1599.9 secs Computing kpt #: 196 total cpu time spent up to now is 1605.1 secs Computing kpt #: 197 total cpu time spent up to now is 1610.3 secs Computing kpt #: 198 total cpu time spent up to now is 1615.4 secs Computing kpt #: 199 total cpu time spent up to now is 1620.6 secs Computing kpt #: 200 total cpu time spent up to now is 1625.6 secs Computing kpt #: 201 total cpu time spent up to now is 1630.8 secs Computing kpt #: 202 total cpu time spent up to now is 1636.1 secs Computing kpt #: 203 total cpu time spent up to now is 1641.5 secs Computing kpt #: 204 total cpu time spent up to now is 1646.8 secs Computing kpt #: 205 total cpu time spent up to now is 1652.3 secs Computing kpt #: 206 total cpu time spent up to now is 1657.8 secs Computing kpt #: 207 total cpu time spent up to now is 1663.3 secs Computing kpt #: 208 total cpu time spent up to now is 1669.1 secs Computing kpt #: 209 total cpu time spent up to now is 1674.6 secs Computing kpt #: 210 total cpu time spent up to now is 1680.3 secs Computing kpt #: 211 total cpu time spent up to now is 1686.1 secs Computing kpt #: 212 total cpu time spent up to now is 1692.2 secs Computing kpt #: 213 total cpu time spent up to now is 1697.9 secs Computing kpt #: 214 total cpu time spent up to now is 1704.2 secs Computing kpt #: 215 total cpu time spent up to now is 1710.4 secs Computing kpt #: 216 total cpu time spent up to now is 1716.7 secs Computing kpt #: 217 total cpu time spent up to now is 1725.0 secs Computing kpt #: 218 total cpu time spent up to now is 1731.3 secs Computing kpt #: 219 total cpu time spent up to now is 1737.5 secs Computing kpt #: 220 total cpu time spent up to now is 1743.9 secs Computing kpt #: 221 total cpu time spent up to now is 1750.3 secs Computing kpt #: 222 total cpu time spent up to now is 1756.9 secs Computing kpt #: 223 total cpu time spent up to now is 1763.5 secs Computing kpt #: 224 total cpu time spent up to now is 1770.0 secs Computing kpt #: 225 total cpu time spent up to now is 1776.5 secs Computing kpt #: 226 total cpu time spent up to now is 1783.5 secs Computing kpt #: 227 total cpu time spent up to now is 1792.2 secs Computing kpt #: 228 total cpu time spent up to now is 1805.0 secs Computing kpt #: 229 total cpu time spent up to now is 1812.8 secs Computing kpt #: 230 total cpu time spent up to now is 1819.5 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1834.0 secs ethr = 1.43E-11, avg # of iterations = 67.0 total cpu time spent up to now is 1834.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5887 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.5041 -7.5041 -6.2445 -6.2445 -6.2386 -6.2386 -6.2386 -6.2386 0.4289 0.4289 0.4289 0.4289 1.2665 1.2665 2.0006 2.0006 2.0006 2.0006 2.0340 2.0340 2.6385 2.6385 2.6795 2.6795 2.6795 2.6795 3.4179 3.4179 3.4179 3.4179 3.4205 3.4205 3.4758 3.4758 3.4758 3.4758 3.9377 3.9377 4.0534 4.0534 4.0534 4.0534 4.2018 4.2018 4.2018 4.2018 4.2748 4.2748 4.8649 4.8649 4.9571 4.9571 4.9571 4.9571 5.1164 5.1164 5.8096 5.8096 5.8096 5.8096 5.8915 5.8915 7.6908 7.6908 7.6908 7.6908 8.3862 8.3862 8.4215 8.4215 8.4215 8.4215 9.2152 9.2152 11.5907 11.5907 k = 0.0000 0.0167-0.0000 ( 5863 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.5035 -7.5035 -6.2448 -6.2448 -6.2392 -6.2392 -6.2386 -6.2386 0.4295 0.4295 0.4299 0.4299 1.2674 1.2674 1.9997 1.9997 2.0012 2.0012 2.0339 2.0339 2.6379 2.6379 2.6784 2.6784 2.6793 2.6793 3.4041 3.4041 3.4182 3.4182 3.4196 3.4196 3.4752 3.4752 3.4903 3.4903 3.9377 3.9377 4.0494 4.0494 4.0574 4.0574 4.1993 4.1993 4.2046 4.2046 4.2747 4.2747 4.8648 4.8648 4.9538 4.9538 4.9598 4.9598 5.1163 5.1163 5.8085 5.8085 5.8100 5.8100 5.8911 5.8911 7.6910 7.6910 7.6914 7.6914 8.3851 8.3851 8.4190 8.4190 8.4216 8.4216 9.2225 9.2225 11.5897 11.5900 k = 0.0000 0.0333-0.0000 ( 5835 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.5016 -7.5016 -6.2461 -6.2461 -6.2404 -6.2404 -6.2386 -6.2386 0.4314 0.4314 0.4332 0.4332 1.2697 1.2697 1.9977 1.9977 2.0022 2.0022 2.0336 2.0336 2.6361 2.6361 2.6756 2.6756 2.6786 2.6786 3.3768 3.3768 3.4174 3.4174 3.4187 3.4187 3.4763 3.4763 3.5158 3.5158 3.9377 3.9377 4.0452 4.0452 4.0614 4.0614 4.1966 4.1966 4.2083 4.2083 4.2743 4.2743 4.8641 4.8641 4.9494 4.9494 4.9620 4.9620 5.1157 5.1157 5.8050 5.8050 5.8113 5.8113 5.8899 5.8899 7.6915 7.6915 7.6929 7.6929 8.3808 8.3808 8.4131 8.4131 8.4218 8.4218 9.2436 9.2436 11.5827 11.5827 k = 0.0000 0.0500-0.0000 ( 5851 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.4985 -7.4985 -6.2493 -6.2493 -6.2413 -6.2413 -6.2385 -6.2385 0.4346 0.4346 0.4386 0.4386 1.2735 1.2735 1.9941 1.9941 2.0036 2.0036 2.0333 2.0333 2.6328 2.6328 2.6710 2.6710 2.6773 2.6773 3.3455 3.3455 3.4161 3.4161 3.4172 3.4172 3.4780 3.4780 3.5435 3.5435 3.9374 3.9374 4.0408 4.0408 4.0652 4.0652 4.1929 4.1929 4.2131 4.2131 4.2735 4.2735 4.8628 4.8628 4.9438 4.9438 4.9639 4.9639 5.1147 5.1147 5.7990 5.7990 5.8133 5.8133 5.8883 5.8883 7.6922 7.6922 7.6954 7.6954 8.3707 8.3707 8.4075 8.4075 8.4222 8.4222 9.2776 9.2776 11.5713 11.5713 k = 0.0000 0.0667-0.0000 ( 5855 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.4942 -7.4942 -6.2547 -6.2547 -6.2417 -6.2417 -6.2384 -6.2384 0.4391 0.4391 0.4461 0.4461 1.2789 1.2789 1.9885 1.9885 2.0055 2.0055 2.0336 2.0336 2.6276 2.6276 2.6653 2.6653 2.6756 2.6756 3.3125 3.3125 3.4142 3.4142 3.4153 3.4153 3.4805 3.4805 3.5718 3.5718 3.9370 3.9370 4.0364 4.0364 4.0691 4.0691 4.1882 4.1882 4.2191 4.2191 4.2728 4.2728 4.8607 4.8607 4.9370 4.9370 4.9659 4.9659 5.1135 5.1135 5.7900 5.7900 5.8160 5.8160 5.8868 5.8868 7.6931 7.6931 7.6987 7.6987 8.3540 8.3540 8.4045 8.4045 8.4226 8.4226 9.3225 9.3225 11.5567 11.5567 k = 0.0000 0.0833-0.0000 ( 5863 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.4886 -7.4886 -6.2620 -6.2620 -6.2418 -6.2418 -6.2384 -6.2384 0.4448 0.4448 0.4557 0.4557 1.2858 1.2858 1.9806 1.9806 2.0080 2.0080 2.0346 2.0346 2.6200 2.6200 2.6590 2.6590 2.6733 2.6733 3.2783 3.2783 3.4119 3.4119 3.4128 3.4128 3.4836 3.4836 3.6000 3.6000 3.9363 3.9363 4.0322 4.0322 4.0732 4.0732 4.1821 4.1821 4.2257 4.2257 4.2726 4.2726 4.8576 4.8576 4.9291 4.9291 4.9683 4.9683 5.1118 5.1118 5.7779 5.7779 5.8195 5.8195 5.8856 5.8856 7.6939 7.6939 7.7029 7.7029 8.3329 8.3329 8.4034 8.4034 8.4232 8.4232 9.3768 9.3768 11.5402 11.5402 k = 0.0000 0.1000-0.0000 ( 5859 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.4818 -7.4818 -6.2709 -6.2709 -6.2417 -6.2417 -6.2382 -6.2382 0.4518 0.4518 0.4674 0.4674 1.2942 1.2942 1.9704 1.9704 2.0110 2.0110 2.0365 2.0365 2.6096 2.6096 2.6527 2.6527 2.6707 2.6707 3.2429 3.2429 3.4091 3.4091 3.4099 3.4099 3.4873 3.4873 3.6279 3.6279 3.9354 3.9354 4.0284 4.0284 4.0776 4.0776 4.1749 4.1749 4.2326 4.2326 4.2734 4.2734 4.8534 4.8534 4.9200 4.9200 4.9713 4.9713 5.1099 5.1099 5.7627 5.7627 5.8235 5.8235 5.8851 5.8851 7.6945 7.6945 7.7080 7.7080 8.3099 8.3099 8.4034 8.4034 8.4237 8.4237 9.4389 9.4389 11.5226 11.5226 k = 0.0000 0.1167-0.0000 ( 5859 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6691 -31.6691 -31.6691 -31.6691 -7.4739 -7.4739 -6.2814 -6.2814 -6.2416 -6.2416 -6.2381 -6.2381 0.4599 0.4599 0.4810 0.4810 1.3041 1.3041 1.9581 1.9581 2.0145 2.0145 2.0391 2.0391 2.5962 2.5962 2.6468 2.6468 2.6676 2.6676 3.2066 3.2066 3.4059 3.4059 3.4066 3.4066 3.4915 3.4915 3.6554 3.6554 3.9341 3.9341 4.0251 4.0251 4.0821 4.0821 4.1664 4.1664 4.2389 4.2389 4.2757 4.2757 4.8479 4.8479 4.9099 4.9099 4.9750 4.9750 5.1077 5.1077 5.7445 5.7445 5.8280 5.8280 5.8853 5.8853 7.6947 7.6947 7.7137 7.7137 8.2865 8.2865 8.4038 8.4038 8.4242 8.4242 9.5074 9.5074 11.5047 11.5047 k = 0.0000 0.1333-0.0000 ( 5859 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6692 -31.6692 -31.6691 -31.6691 -7.4648 -7.4648 -6.2935 -6.2935 -6.2415 -6.2415 -6.2380 -6.2380 0.4691 0.4691 0.4967 0.4967 1.3155 1.3155 1.9436 1.9436 2.0184 2.0184 2.0423 2.0423 2.5800 2.5800 2.6412 2.6412 2.6640 2.6640 3.1693 3.1693 3.4022 3.4022 3.4029 3.4029 3.4961 3.4961 3.6826 3.6826 3.9323 3.9323 4.0225 4.0225 4.0868 4.0868 4.1570 4.1570 4.2441 4.2441 4.2800 4.2800 4.8411 4.8411 4.8988 4.8988 4.9794 4.9794 5.1053 5.1053 5.7237 5.7237 5.8328 5.8328 5.8862 5.8862 7.6944 7.6944 7.7201 7.7201 8.2639 8.2639 8.4044 8.4044 8.4246 8.4246 9.5812 9.5812 11.4873 11.4873 k = 0.0000 0.1500-0.0000 ( 5863 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6692 -31.6692 -31.6691 -31.6691 -7.4546 -7.4546 -6.3069 -6.3069 -6.2413 -6.2413 -6.2378 -6.2378 0.4794 0.4794 0.5143 0.5143 1.3284 1.3284 1.9271 1.9271 2.0228 2.0228 2.0462 2.0462 2.5613 2.5613 2.6358 2.6358 2.6601 2.6601 3.1310 3.1310 3.3982 3.3982 3.3989 3.3989 3.5012 3.5012 3.7093 3.7093 3.9302 3.9302 4.0205 4.0205 4.0915 4.0915 4.1469 4.1469 4.2478 4.2478 4.2864 4.2864 4.8331 4.8331 4.8871 4.8871 4.9843 4.9843 5.1027 5.1027 5.7005 5.7005 5.8380 5.8380 5.8876 5.8876 7.6932 7.6932 7.7270 7.7270 8.2427 8.2427 8.4051 8.4051 8.4248 8.4248 9.6594 9.6594 11.4707 11.4707 k = 0.0000 0.1667-0.0000 ( 5855 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6692 -31.6692 -31.6691 -31.6691 -7.4434 -7.4434 -6.3217 -6.3217 -6.2410 -6.2410 -6.2377 -6.2377 0.4907 0.4907 0.5337 0.5337 1.3428 1.3428 1.9088 1.9088 2.0277 2.0277 2.0507 2.0507 2.5406 2.5406 2.6304 2.6304 2.6558 2.6558 3.0918 3.0918 3.3938 3.3938 3.3946 3.3946 3.5066 3.5066 3.7356 3.7356 3.9279 3.9279 4.0193 4.0193 4.0958 4.0958 4.1367 4.1367 4.2503 4.2503 4.2945 4.2945 4.8241 4.8241 4.8747 4.8747 4.9898 4.9898 5.1000 5.1000 5.6756 5.6756 5.8435 5.8435 5.8894 5.8894 7.6912 7.6912 7.7344 7.7344 8.2236 8.2236 8.4057 8.4057 8.4249 8.4249 9.7411 9.7411 11.4554 11.4554 k = 0.0000 0.1833-0.0000 ( 5855 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6692 -31.6692 -31.6691 -31.6691 -7.4311 -7.4311 -6.3377 -6.3377 -6.2408 -6.2408 -6.2375 -6.2375 0.5029 0.5029 0.5549 0.5549 1.3585 1.3585 1.8886 1.8886 2.0329 2.0329 2.0555 2.0555 2.5182 2.5182 2.6249 2.6249 2.6512 2.6512 3.0518 3.0518 3.3892 3.3892 3.3901 3.3901 3.5123 3.5123 3.7612 3.7612 3.9254 3.9254 4.0187 4.0187 4.0987 4.0987 4.1277 4.1277 4.2520 4.2520 4.3034 4.3034 4.8142 4.8142 4.8620 4.8620 4.9957 4.9957 5.0972 5.0972 5.6491 5.6491 5.8491 5.8491 5.8916 5.8916 7.6881 7.6881 7.7421 7.7421 8.2068 8.2068 8.4061 8.4061 8.4247 8.4247 9.8257 9.8257 11.4415 11.4415 k = 0.0000 0.2000-0.0000 ( 5854 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6693 -31.6693 -31.6691 -31.6691 -7.4179 -7.4179 -6.3549 -6.3549 -6.2405 -6.2405 -6.2373 -6.2373 0.5159 0.5159 0.5779 0.5779 1.3757 1.3757 1.8668 1.8668 2.0384 2.0384 2.0607 2.0607 2.4943 2.4943 2.6192 2.6192 2.6463 2.6463 3.0110 3.0110 3.3843 3.3843 3.3854 3.3854 3.5181 3.5181 3.7860 3.7860 3.9231 3.9231 4.0188 4.0188 4.0974 4.0974 4.1227 4.1227 4.2533 4.2533 4.3128 4.3128 4.8036 4.8036 4.8489 4.8489 5.0019 5.0019 5.0944 5.0944 5.6215 5.6215 5.8547 5.8547 5.8941 5.8941 7.6841 7.6841 7.7500 7.7500 8.1925 8.1925 8.4064 8.4064 8.4242 8.4242 9.9126 9.9126 11.4294 11.4294 k = 0.0000 0.2167-0.0000 ( 5858 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6693 -31.6693 -31.6691 -31.6691 -7.4037 -7.4037 -6.3731 -6.3731 -6.2402 -6.2402 -6.2372 -6.2372 0.5298 0.5298 0.6024 0.6024 1.3942 1.3942 1.8434 1.8434 2.0443 2.0443 2.0663 2.0663 2.4692 2.4692 2.6134 2.6134 2.6412 2.6412 2.9695 2.9695 3.3793 3.3793 3.3806 3.3806 3.5240 3.5240 3.8095 3.8095 3.9214 3.9214 4.0193 4.0193 4.0903 4.0903 4.1237 4.1237 4.2544 4.2544 4.3221 4.3221 4.7926 4.7926 4.8358 4.8358 5.0082 5.0082 5.0916 5.0916 5.5932 5.5932 5.8602 5.8602 5.8967 5.8967 7.6790 7.6790 7.7581 7.7581 8.1806 8.1806 8.4065 8.4065 8.4235 8.4235 10.0010 10.0010 11.4190 11.4190 k = 0.0000 0.2333-0.0000 ( 5846 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6693 -31.6693 -31.6691 -31.6691 -7.3888 -7.3888 -6.3922 -6.3922 -6.2399 -6.2399 -6.2370 -6.2370 0.5442 0.5442 0.6285 0.6285 1.4139 1.4139 1.8186 1.8186 2.0504 2.0504 2.0722 2.0722 2.4432 2.4432 2.6075 2.6075 2.6358 2.6358 2.9274 2.9274 3.3742 3.3742 3.3757 3.3757 3.5301 3.5301 3.8312 3.8312 3.9212 3.9212 4.0203 4.0203 4.0802 4.0802 4.1278 4.1278 4.2554 4.2554 4.3310 4.3310 4.7813 4.7813 4.8227 4.8227 5.0145 5.0145 5.0891 5.0891 5.5643 5.5643 5.8657 5.8657 5.8994 5.8994 7.6731 7.6731 7.7663 7.7663 8.1711 8.1711 8.4063 8.4063 8.4225 8.4225 10.0906 10.0906 11.4103 11.4103 k = 0.0000 0.2500-0.0000 ( 5862 PWs) bands (ev): -58.0424 -58.0424 -32.4919 -32.4919 -31.6694 -31.6694 -31.6691 -31.6691 -7.3730 -7.3730 -6.4121 -6.4121 -6.2396 -6.2396 -6.2368 -6.2368 0.5592 0.5592 0.6559 0.6559 1.4348 1.4348 1.7925 1.7925 2.0567 2.0567 2.0783 2.0783 2.4165 2.4165 2.6014 2.6014 2.6302 2.6302 2.8848 2.8848 3.3691 3.3691 3.3708 3.3708 3.5363 3.5363 3.8493 3.8493 3.9239 3.9239 4.0215 4.0215 4.0693 4.0693 4.1328 4.1328 4.2564 4.2564 4.3391 4.3391 4.7698 4.7698 4.8097 4.8097 5.0208 5.0208 5.0868 5.0868 5.5352 5.5352 5.8710 5.8710 5.9023 5.9023 7.6663 7.6663 7.7744 7.7744 8.1637 8.1637 8.4058 8.4058 8.4211 8.4211 10.1806 10.1806 11.4034 11.4034 k = 0.0000 0.2667-0.0000 ( 5862 PWs) bands (ev): -58.0424 -58.0424 -32.4919 -32.4919 -31.6694 -31.6694 -31.6691 -31.6691 -7.3567 -7.3567 -6.4326 -6.4326 -6.2393 -6.2393 -6.2366 -6.2366 0.5746 0.5746 0.6847 0.6847 1.4568 1.4568 1.7652 1.7652 2.0631 2.0631 2.0845 2.0845 2.3895 2.3895 2.5951 2.5951 2.6246 2.6246 2.8419 2.8419 3.3640 3.3640 3.3658 3.3658 3.5424 3.5424 3.8619 3.8619 3.9316 3.9316 4.0231 4.0231 4.0585 4.0585 4.1383 4.1383 4.2575 4.2575 4.3464 4.3464 4.7585 4.7585 4.7970 4.7970 5.0269 5.0269 5.0848 5.0848 5.5061 5.5061 5.8761 5.8761 5.9051 5.9051 7.6591 7.6591 7.7823 7.7823 8.1582 8.1582 8.4051 8.4051 8.4195 8.4195 10.2705 10.2705 11.3981 11.3981 k = 0.0000 0.2833-0.0000 ( 5874 PWs) bands (ev): -58.0424 -58.0424 -32.4919 -32.4919 -31.6694 -31.6694 -31.6691 -31.6691 -7.3397 -7.3397 -6.4537 -6.4537 -6.2390 -6.2390 -6.2365 -6.2365 0.5902 0.5902 0.7146 0.7146 1.4795 1.4795 1.7370 1.7370 2.0696 2.0696 2.0908 2.0908 2.3625 2.3625 2.5888 2.5888 2.6188 2.6188 2.7989 2.7989 3.3590 3.3590 3.3609 3.3609 3.5485 3.5485 3.8683 3.8683 3.9447 3.9447 4.0247 4.0247 4.0483 4.0483 4.1439 4.1439 4.2586 4.2586 4.3525 4.3525 4.7473 4.7473 4.7847 4.7847 5.0329 5.0329 5.0834 5.0834 5.4773 5.4773 5.8809 5.8809 5.9080 5.9080 7.6515 7.6515 7.7901 7.7901 8.1545 8.1545 8.4042 8.4042 8.4177 8.4177 10.3598 10.3598 11.3943 11.3943 k = 0.0000 0.3000-0.0000 ( 5870 PWs) bands (ev): -58.0424 -58.0424 -32.4919 -32.4919 -31.6694 -31.6694 -31.6691 -31.6691 -7.3224 -7.3224 -6.4750 -6.4750 -6.2387 -6.2387 -6.2363 -6.2363 0.6058 0.6058 0.7455 0.7455 1.5029 1.5029 1.7082 1.7082 2.0761 2.0761 2.0971 2.0971 2.3357 2.3357 2.5824 2.5824 2.6131 2.6131 2.7561 2.7561 3.3541 3.3541 3.3561 3.3561 3.5545 3.5545 3.8702 3.8702 3.9614 3.9614 4.0266 4.0266 4.0393 4.0393 4.1495 4.1495 4.2597 4.2597 4.3572 4.3572 4.7366 4.7366 4.7728 4.7728 5.0385 5.0385 5.0826 5.0826 5.4489 5.4489 5.8855 5.8855 5.9108 5.9108 7.6437 7.6437 7.7975 7.7975 8.1521 8.1521 8.4030 8.4030 8.4156 8.4156 10.4478 10.4478 11.3919 11.3919 k = 0.0000 0.3167-0.0000 ( 5862 PWs) bands (ev): -58.0424 -58.0424 -32.4919 -32.4919 -31.6695 -31.6695 -31.6691 -31.6691 -7.3048 -7.3048 -6.4965 -6.4965 -6.2384 -6.2384 -6.2362 -6.2362 0.6214 0.6214 0.7774 0.7774 1.5261 1.5261 1.6795 1.6795 2.0826 2.0826 2.1034 2.1034 2.3094 2.3094 2.5758 2.5758 2.6074 2.6074 2.7138 2.7138 3.3494 3.3494 3.3515 3.3515 3.5603 3.5603 3.8695 3.8695 3.9782 3.9782 4.0288 4.0288 4.0326 4.0326 4.1550 4.1550 4.2608 4.2608 4.3606 4.3606 4.7264 4.7264 4.7616 4.7616 5.0439 5.0439 5.0828 5.0828 5.4211 5.4211 5.8897 5.8897 5.9136 5.9136 7.6359 7.6359 7.8046 7.8046 8.1508 8.1508 8.4017 8.4017 8.4134 8.4134 10.5338 10.5338 11.3904 11.3904 k = 0.0000 0.3333-0.0000 ( 5874 PWs) bands (ev): -58.0424 -58.0424 -32.4919 -32.4919 -31.6695 -31.6695 -31.6691 -31.6691 -7.2871 -7.2871 -6.5179 -6.5179 -6.2381 -6.2381 -6.2360 -6.2360 0.6367 0.6367 0.8098 0.8098 1.5476 1.5476 1.6523 1.6523 2.0888 2.0888 2.1095 2.1095 2.2839 2.2839 2.5689 2.5689 2.6019 2.6019 2.6724 2.6724 3.3450 3.3450 3.3470 3.3470 3.5659 3.5659 3.8675 3.8675 3.9903 3.9903 4.0301 4.0301 4.0330 4.0330 4.1602 4.1602 4.2619 4.2619 4.3623 4.3623 4.7168 4.7168 4.7510 4.7510 5.0487 5.0487 5.0840 5.0840 5.3940 5.3940 5.8935 5.8935 5.9162 5.9162 7.6283 7.6283 7.8112 7.8112 8.1503 8.1503 8.4003 8.4003 8.4111 8.4111 10.6171 10.6171 11.3898 11.3898 k = 0.0000 0.3500-0.0000 ( 5862 PWs) bands (ev): -58.0424 -58.0424 -32.4919 -32.4919 -31.6695 -31.6695 -31.6691 -31.6691 -7.2695 -7.2695 -6.5390 -6.5390 -6.2378 -6.2378 -6.2359 -6.2359 0.6515 0.6515 0.8428 0.8428 1.5618 1.5618 1.6323 1.6323 2.0949 2.0949 2.1153 2.1153 2.2596 2.2596 2.5612 2.5612 2.5966 2.5966 2.6332 2.6332 3.3408 3.3408 3.3428 3.3428 3.5713 3.5713 3.8649 3.8649 3.9933 3.9933 4.0310 4.0310 4.0439 4.0439 4.1653 4.1653 4.2629 4.2629 4.3624 4.3624 4.7079 4.7079 4.7412 4.7412 5.0530 5.0530 5.0865 5.0865 5.3678 5.3678 5.8969 5.8969 5.9188 5.9188 7.6211 7.6211 7.8174 7.8174 8.1506 8.1506 8.3988 8.3988 8.4087 8.4087 10.6971 10.6971 11.3897 11.3897 k = 0.0000 0.3667-0.0000 ( 5862 PWs) bands (ev): -58.0424 -58.0424 -32.4919 -32.4919 -31.6696 -31.6696 -31.6691 -31.6691 -7.2523 -7.2523 -6.5594 -6.5594 -6.2376 -6.2376 -6.2358 -6.2358 0.6655 0.6655 0.8760 0.8760 1.5560 1.5560 1.6320 1.6320 2.1007 2.1007 2.1209 2.1209 2.2367 2.2367 2.5504 2.5504 2.5915 2.5915 2.5985 2.5985 3.3370 3.3370 3.3389 3.3389 3.5763 3.5763 3.8621 3.8621 3.9901 3.9901 4.0324 4.0324 4.0607 4.0607 4.1700 4.1700 4.2640 4.2640 4.3609 4.3609 4.6998 4.6998 4.7321 4.7321 5.0566 5.0566 5.0905 5.0905 5.3426 5.3426 5.9000 5.9000 5.9213 5.9213 7.6144 7.6144 7.8230 7.8230 8.1512 8.1512 8.3973 8.3973 8.4063 8.4063 10.7729 10.7729 11.3898 11.3898 k = 0.0000 0.3833-0.0000 ( 5854 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6696 -31.6696 -31.6691 -31.6691 -7.2357 -7.2357 -6.5789 -6.5789 -6.2373 -6.2373 -6.2357 -6.2357 0.6787 0.6787 0.9090 0.9090 1.5330 1.5330 1.6486 1.6486 2.1061 2.1061 2.1261 2.1261 2.2156 2.2156 2.5311 2.5311 2.5745 2.5745 2.5868 2.5868 3.3336 3.3336 3.3353 3.3353 3.5809 3.5809 3.8592 3.8592 3.9853 3.9853 4.0338 4.0338 4.0793 4.0793 4.1745 4.1745 4.2650 4.2650 4.3579 4.3579 4.6926 4.6926 4.7240 4.7240 5.0596 5.0596 5.0960 5.0960 5.3183 5.3183 5.9028 5.9028 5.9235 5.9235 7.6083 7.6083 7.8281 7.8281 8.1522 8.1522 8.3958 8.3958 8.4040 8.4040 10.8438 10.8438 11.3897 11.3897 k = 0.0000 0.4000-0.0000 ( 5854 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6696 -31.6696 -31.6691 -31.6691 -7.2201 -7.2201 -6.5971 -6.5971 -6.2371 -6.2371 -6.2356 -6.2356 0.6906 0.6906 0.9415 0.9415 1.5049 1.5049 1.6699 1.6699 2.1110 2.1110 2.1308 2.1308 2.1966 2.1966 2.5028 2.5028 2.5623 2.5623 2.5826 2.5826 3.3305 3.3305 3.3321 3.3321 3.5851 3.5851 3.8564 3.8564 3.9804 3.9804 4.0350 4.0350 4.0978 4.0978 4.1787 4.1787 4.2659 4.2659 4.3536 4.3536 4.6862 4.6862 4.7167 4.7167 5.0620 5.0620 5.1029 5.1029 5.2951 5.2951 5.9051 5.9051 5.9256 5.9256 7.6028 7.6028 7.8325 7.8325 8.1533 8.1533 8.3944 8.3944 8.4018 8.4018 10.9087 10.9087 11.3893 11.3893 k = 0.0000 0.4167-0.0000 ( 5854 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6696 -31.6696 -31.6691 -31.6691 -7.2058 -7.2058 -6.6136 -6.6136 -6.2369 -6.2369 -6.2355 -6.2355 0.7012 0.7012 0.9728 0.9728 1.4760 1.4760 1.6915 1.6915 2.1153 2.1153 2.1350 2.1350 2.1799 2.1799 2.4728 2.4728 2.5555 2.5555 2.5788 2.5788 3.3279 3.3279 3.3293 3.3293 3.5887 3.5887 3.8539 3.8539 3.9759 3.9759 4.0361 4.0361 4.1151 4.1151 4.1827 4.1827 4.2668 4.2668 4.3481 4.3481 4.6807 4.6807 4.7105 4.7105 5.0639 5.0639 5.1113 5.1113 5.2731 5.2731 5.9071 5.9071 5.9274 5.9274 7.5981 7.5981 7.8363 7.8363 8.1543 8.1543 8.3931 8.3931 8.3999 8.3999 10.9668 10.9668 11.3882 11.3882 k = 0.0000 0.4333-0.0000 ( 5862 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6696 -31.6696 -31.6691 -31.6691 -7.1933 -7.1933 -6.6280 -6.6280 -6.2367 -6.2367 -6.2355 -6.2355 0.7102 0.7102 1.0021 1.0021 1.4482 1.4482 1.7116 1.7116 2.1190 2.1190 2.1385 2.1385 2.1659 2.1659 2.4451 2.4451 2.5509 2.5509 2.5756 2.5756 3.3258 3.3258 3.3269 3.3269 3.5918 3.5918 3.8517 3.8517 3.9722 3.9722 4.0369 4.0369 4.1306 4.1306 4.1865 4.1865 4.2675 4.2675 4.3419 4.3419 4.6762 4.6762 4.7053 4.7053 5.0654 5.0654 5.1209 5.1209 5.2523 5.2523 5.9086 5.9086 5.9289 5.9289 7.5942 7.5942 7.8395 7.8395 8.1554 8.1554 8.3921 8.3921 8.3982 8.3982 11.0171 11.0171 11.3865 11.3865 k = 0.0000 0.4500-0.0000 ( 5882 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6696 -31.6696 -31.6691 -31.6691 -7.1829 -7.1829 -6.6398 -6.6398 -6.2366 -6.2366 -6.2355 -6.2355 0.7174 0.7174 1.0281 1.0281 1.4232 1.4232 1.7287 1.7287 2.1218 2.1218 2.1412 2.1412 2.1547 2.1547 2.4218 2.4218 2.5475 2.5475 2.5730 2.5730 3.3241 3.3241 3.3250 3.3250 3.5942 3.5942 3.8499 3.8499 3.9691 3.9691 4.0376 4.0376 4.1434 4.1434 4.1902 4.1902 4.2682 4.2682 4.3356 4.3356 4.6727 4.6727 4.7011 4.7011 5.0666 5.0666 5.1316 5.1316 5.2329 5.2329 5.9098 5.9098 5.9300 5.9300 7.5911 7.5911 7.8420 7.8420 8.1562 8.1562 8.3912 8.3912 8.3967 8.3967 11.0583 11.0583 11.3841 11.3841 k = 0.0000 0.4667-0.0000 ( 5862 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6696 -31.6696 -31.6691 -31.6691 -7.1751 -7.1751 -6.6486 -6.6486 -6.2364 -6.2364 -6.2355 -6.2355 0.7227 0.7227 1.0492 1.0492 1.4027 1.4027 1.7421 1.7421 2.1240 2.1240 2.1432 2.1432 2.1468 2.1468 2.4040 2.4040 2.5452 2.5452 2.5711 2.5711 3.3230 3.3230 3.3236 3.3236 3.5961 3.5961 3.8486 3.8486 3.9671 3.9671 4.0381 4.0381 4.1528 4.1528 4.1937 4.1937 4.2688 4.2688 4.3301 4.3301 4.6701 4.6701 4.6981 4.6981 5.0675 5.0675 5.1431 5.1431 5.2153 5.2153 5.9107 5.9107 5.9309 5.9309 7.5889 7.5889 7.8438 7.8438 8.1569 8.1569 8.3906 8.3906 8.3957 8.3957 11.0893 11.0893 11.3816 11.3816 k = 0.0000 0.4833-0.0000 ( 5862 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6697 -31.6697 -31.6691 -31.6691 -7.1703 -7.1703 -6.6541 -6.6541 -6.2364 -6.2364 -6.2355 -6.2355 0.7259 0.7259 1.0633 1.0633 1.3891 1.3891 1.7505 1.7505 2.1252 2.1252 2.1418 2.1418 2.1446 2.1446 2.3928 2.3928 2.5438 2.5438 2.5700 2.5700 3.3223 3.3223 3.3227 3.3227 3.5971 3.5971 3.8478 3.8478 3.9658 3.9658 4.0384 4.0384 4.1584 4.1584 4.1965 4.1965 4.2691 4.2691 4.3262 4.3262 4.6686 4.6686 4.6963 4.6963 5.0680 5.0680 5.1540 5.1540 5.2006 5.2006 5.9112 5.9112 5.9314 5.9314 7.5875 7.5875 7.8448 7.8448 8.1573 8.1573 8.3902 8.3902 8.3951 8.3951 11.1086 11.1086 11.3797 11.3797 k = 0.0000 0.5000-0.0000 ( 5846 PWs) bands (ev): -58.0423 -58.0423 -32.4920 -32.4920 -31.6697 -31.6697 -31.6691 -31.6691 -7.1687 -7.1687 -6.6559 -6.6559 -6.2363 -6.2363 -6.2355 -6.2355 0.7270 0.7270 1.0683 1.0683 1.3842 1.3842 1.7534 1.7534 2.1256 2.1256 2.1403 2.1403 2.1450 2.1450 2.3890 2.3890 2.5434 2.5434 2.5696 2.5696 3.3222 3.3222 3.3223 3.3223 3.5975 3.5975 3.8475 3.8475 3.9654 3.9654 4.0385 4.0385 4.1603 4.1603 4.1975 4.1975 4.2693 4.2693 4.3247 4.3247 4.6682 4.6682 4.6957 4.6957 5.0682 5.0682 5.1597 5.1597 5.1937 5.1937 5.9114 5.9114 5.9316 5.9316 7.5871 7.5871 7.8452 7.8452 8.1574 8.1574 8.3901 8.3901 8.3949 8.3949 11.1152 11.1152 11.3789 11.3789 k = 0.0000 0.5000-0.0000 ( 5846 PWs) bands (ev): -58.0423 -58.0423 -32.4920 -32.4920 -31.6697 -31.6697 -31.6691 -31.6691 -7.1687 -7.1687 -6.6559 -6.6559 -6.2363 -6.2363 -6.2355 -6.2355 0.7270 0.7270 1.0683 1.0683 1.3842 1.3842 1.7534 1.7534 2.1256 2.1256 2.1403 2.1403 2.1450 2.1450 2.3890 2.3890 2.5434 2.5434 2.5696 2.5696 3.3222 3.3222 3.3223 3.3223 3.5975 3.5975 3.8475 3.8475 3.9654 3.9654 4.0385 4.0385 4.1603 4.1603 4.1975 4.1975 4.2693 4.2693 4.3247 4.3247 4.6682 4.6682 4.6957 4.6957 5.0682 5.0682 5.1597 5.1597 5.1937 5.1937 5.9114 5.9114 5.9316 5.9316 7.5871 7.5871 7.8452 7.8452 8.1574 8.1574 8.3901 8.3901 8.3949 8.3949 11.1152 11.1152 11.3789 11.3789 k = 0.0167 0.5000-0.0000 ( 5878 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6697 -31.6697 -31.6691 -31.6691 -7.1682 -7.1681 -6.6557 -6.6557 -6.2369 -6.2367 -6.2359 -6.2358 0.7273 0.7278 1.0682 1.0684 1.3838 1.3843 1.7533 1.7539 2.1239 2.1268 2.1389 2.1407 2.1449 2.1451 2.3893 2.3895 2.5428 2.5431 2.5690 2.5695 3.3194 3.3197 3.3210 3.3214 3.5988 3.5989 3.8457 3.8492 3.9621 3.9684 4.0255 4.0524 4.1578 4.1607 4.1937 4.2026 4.2619 4.2800 4.3217 4.3284 4.6612 4.6707 4.6894 4.7008 5.0664 5.0768 5.1554 5.1645 5.1913 5.1948 5.9079 5.9135 5.9307 5.9311 7.5874 7.5888 7.8449 7.8456 8.1578 8.1589 8.3895 8.3902 8.3945 8.3954 11.1166 11.1169 11.3807 11.3828 k = 0.0333 0.5000-0.0000 ( 5878 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6697 -31.6697 -31.6691 -31.6691 -7.1666 -7.1665 -6.6551 -6.6551 -6.2385 -6.2382 -6.2366 -6.2365 0.7288 0.7299 1.0683 1.0687 1.3831 1.3841 1.7538 1.7549 2.1217 2.1274 2.1371 2.1400 2.1447 2.1455 2.3905 2.3909 2.5414 2.5420 2.5676 2.5686 3.3131 3.3133 3.3158 3.3170 3.6028 3.6029 3.8442 3.8508 3.9593 3.9713 4.0140 4.0671 4.1542 4.1595 4.1897 4.2101 4.2586 4.2933 4.3194 4.3334 4.6478 4.6711 4.6854 4.7019 5.0723 5.0902 5.1516 5.1702 5.1878 5.1952 5.9029 5.9143 5.9285 5.9292 7.5898 7.5926 7.8450 7.8463 8.1599 8.1621 8.3877 8.3886 8.3953 8.3977 11.1212 11.1217 11.3882 11.3924 k = 0.0500 0.5000-0.0000 ( 5870 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6697 -31.6697 -31.6691 -31.6691 -7.1639 -7.1638 -6.6540 -6.6540 -6.2414 -6.2411 -6.2377 -6.2376 0.7314 0.7331 1.0684 1.0691 1.3821 1.3836 1.7549 1.7565 2.1190 2.1273 2.1349 2.1383 2.1442 2.1462 2.3925 2.3931 2.5393 2.5398 2.5654 2.5672 3.3035 3.3036 3.3070 3.3092 3.6092 3.6093 3.8430 3.8524 3.9569 3.9735 4.0045 4.0822 4.1501 4.1574 4.1849 4.2199 4.2589 4.3064 4.3197 4.3402 4.6290 4.6695 4.6839 4.6990 5.0847 5.1055 5.1490 5.1764 5.1830 5.1967 5.8965 5.9136 5.9253 5.9261 7.5941 7.5983 7.8453 7.8473 8.1637 8.1670 8.3837 8.3847 8.3981 8.4020 11.1288 11.1296 11.4014 11.4077 k = 0.0667 0.5000-0.0000 ( 5866 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6697 -31.6697 -31.6691 -31.6691 -7.1602 -7.1600 -6.6524 -6.6524 -6.2454 -6.2451 -6.2391 -6.2390 0.7352 0.7375 1.0687 1.0696 1.3808 1.3828 1.7565 1.7586 2.1158 2.1264 2.1325 2.1358 2.1436 2.1471 2.3952 2.3961 2.5365 2.5366 2.5624 2.5654 3.2909 3.2909 3.2950 3.2984 3.6172 3.6174 3.8421 3.8537 3.9549 3.9738 3.9978 4.0973 4.1459 4.1550 4.1796 4.2316 4.2614 4.3101 4.3307 4.3490 4.6071 4.6648 4.6838 4.6942 5.0993 5.1188 5.1509 5.1770 5.1792 5.2056 5.8886 5.9109 5.9215 5.9227 7.6004 7.6060 7.8460 7.8486 8.1689 8.1733 8.3780 8.3793 8.4027 8.4079 11.1394 11.1405 11.4202 11.4285 k = 0.0833 0.5000-0.0000 ( 5862 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6697 -31.6697 -31.6691 -31.6691 -7.1554 -7.1552 -6.6505 -6.6505 -6.2507 -6.2503 -6.2409 -6.2408 0.7401 0.7429 1.0691 1.0702 1.3791 1.3816 1.7588 1.7613 2.1122 2.1244 2.1302 2.1327 2.1430 2.1479 2.3988 2.3999 2.5323 2.5330 2.5587 2.5633 3.2756 3.2756 3.2803 3.2850 3.6264 3.6267 3.8416 3.8550 3.9536 3.9716 3.9950 4.1115 4.1420 4.1529 4.1746 4.2448 4.2653 4.3084 4.3483 4.3602 4.5837 4.6552 4.6845 4.6905 5.1076 5.1275 5.1639 5.1700 5.1766 5.2254 5.8792 5.9054 5.9174 5.9200 7.6085 7.6154 7.8473 7.8503 8.1753 8.1808 8.3711 8.3726 8.4087 8.4152 11.1530 11.1543 11.4446 11.4547 k = 0.1000 0.5000-0.0000 ( 5864 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6697 -31.6697 -31.6691 -31.6691 -7.1496 -7.1494 -6.6481 -6.6481 -6.2570 -6.2565 -6.2430 -6.2429 0.7462 0.7495 1.0695 1.0709 1.3770 1.3800 1.7616 1.7647 2.1082 2.1211 2.1282 2.1290 2.1423 2.1487 2.4030 2.4044 2.5268 2.5286 2.5543 2.5609 3.2578 3.2581 3.2635 3.2694 3.6364 3.6368 3.8416 3.8561 3.9530 3.9676 3.9952 4.1227 4.1406 4.1515 4.1701 4.2588 4.2699 4.3060 4.3674 4.3737 4.5597 4.6412 4.6858 4.6887 5.1066 5.1315 5.1614 5.1710 5.1903 5.2525 5.8682 5.8972 5.9138 5.9184 7.6181 7.6264 7.8492 7.8526 8.1824 8.1889 8.3635 8.3654 8.4160 8.4236 11.1693 11.1708 11.4743 11.4863 k = 0.1167 0.5000-0.0000 ( 5874 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6697 -31.6697 -31.6691 -31.6691 -7.1428 -7.1425 -6.6454 -6.6453 -6.2644 -6.2639 -6.2455 -6.2454 0.7533 0.7571 1.0701 1.0716 1.3745 1.3778 1.7652 1.7688 2.1039 2.1168 2.1247 2.1261 2.1418 2.1494 2.4080 2.4096 2.5201 2.5234 2.5493 2.5583 3.2376 3.2389 3.2452 3.2519 3.6465 3.6471 3.8421 3.8572 3.9530 3.9634 3.9969 4.1253 4.1467 4.1508 4.1665 4.2724 4.2753 4.3046 4.3873 4.3894 4.5355 4.6242 4.6877 4.6880 5.1006 5.1318 5.1522 5.1637 5.2233 5.2839 5.8558 5.8868 5.9110 5.9179 7.6291 7.6388 7.8518 7.8557 8.1896 8.1969 8.3560 8.3582 8.4244 8.4330 11.1883 11.1900 11.5093 11.5230 k = 0.1333 0.5000-0.0000 ( 5872 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6697 -31.6697 -31.6691 -31.6691 -7.1350 -7.1347 -6.6422 -6.6422 -6.2729 -6.2723 -6.2484 -6.2483 0.7615 0.7658 1.0708 1.0725 1.3714 1.3752 1.7696 1.7736 2.0994 2.1117 2.1201 2.1240 2.1414 2.1501 2.4135 2.4153 2.5124 2.5173 2.5441 2.5557 3.2157 3.2181 3.2256 3.2330 3.6566 3.6572 3.8432 3.8585 3.9537 3.9598 3.9992 4.1227 4.1510 4.1555 4.1651 4.2817 4.2817 4.3076 4.4068 4.4075 4.5118 4.6056 4.6881 4.6902 5.0920 5.1294 5.1420 5.1551 5.2596 5.3172 5.8420 5.8748 5.9099 5.9187 7.6413 7.6522 7.8555 7.8597 8.1959 8.2038 8.3497 8.3521 8.4337 8.4432 11.2097 11.2115 11.5493 11.5645 k = 0.1500 0.5000-0.0000 ( 5872 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6697 -31.6697 -31.6692 -31.6692 -7.1263 -7.1259 -6.6387 -6.6387 -6.2824 -6.2818 -6.2516 -6.2515 0.7706 0.7753 1.0715 1.0734 1.3678 1.3720 1.7748 1.7792 2.0946 2.1061 2.1151 2.1218 2.1411 2.1508 2.4196 2.4215 2.5037 2.5101 2.5388 2.5529 3.1923 3.1962 3.2050 3.2129 3.6663 3.6669 3.8447 3.8602 3.9551 3.9570 4.0020 4.1192 4.1519 4.1566 4.1715 4.2829 4.2895 4.3186 4.4257 4.4276 4.4889 4.5863 4.6885 4.6933 5.0819 5.1244 5.1309 5.1455 5.2972 5.3509 5.8270 5.8612 5.9111 5.9213 7.6544 7.6664 7.8604 7.8648 8.2001 8.2083 8.3460 8.3483 8.4437 8.4539 11.2334 11.2353 11.5940 11.6107 k = 0.1667 0.5000-0.0000 ( 5868 PWs) bands (ev): -58.0424 -58.0424 -32.4921 -32.4921 -31.6697 -31.6697 -31.6692 -31.6692 -7.1166 -7.1162 -6.6348 -6.6348 -6.2929 -6.2922 -6.2551 -6.2550 0.7807 0.7859 1.0723 1.0743 1.3636 1.3682 1.7809 1.7858 2.0897 2.1000 2.1100 2.1195 2.1410 2.1514 2.4261 2.4280 2.4942 2.5020 2.5334 2.5501 3.1679 3.1734 3.1835 3.1917 3.6754 3.6758 3.8467 3.8625 3.9550 3.9571 4.0052 4.1159 4.1535 4.1540 4.1807 4.2797 4.2989 4.3340 4.4455 4.4460 4.4685 4.5667 4.6892 4.6969 5.0704 5.1168 5.1190 5.1354 5.3347 5.3838 5.8111 5.8464 5.9154 5.9262 7.6679 7.6810 7.8667 7.8714 8.2010 8.2090 8.3462 8.3480 8.4542 8.4651 11.2590 11.2610 11.6432 11.6610 k = 0.1833 0.5000-0.0000 ( 5870 PWs) bands (ev): -58.0424 -58.0424 -32.4921 -32.4921 -31.6697 -31.6697 -31.6692 -31.6692 -7.1061 -7.1056 -6.6306 -6.6306 -6.3043 -6.3036 -6.2590 -6.2589 0.7917 0.7972 1.0731 1.0752 1.3586 1.3635 1.7880 1.7932 2.0846 2.0935 2.1049 2.1172 2.1410 2.1520 2.4328 2.4342 2.4844 2.4929 2.5283 2.5473 3.1429 3.1501 3.1611 3.1698 3.6837 3.6837 3.8490 3.8653 3.9537 3.9595 4.0088 4.1128 4.1512 4.1556 4.1892 4.2747 4.3098 4.3508 4.4421 4.4659 4.4712 4.5473 4.6899 4.7011 5.0577 5.1064 5.1066 5.1249 5.3710 5.4148 5.7943 5.8306 5.9234 5.9339 7.6816 7.6956 7.8745 7.8796 8.1979 8.2051 8.3511 8.3520 8.4650 8.4765 11.2863 11.2883 11.6964 11.7150 k = 0.2000 0.5000-0.0000 ( 5866 PWs) bands (ev): -58.0423 -58.0423 -32.4921 -32.4921 -31.6697 -31.6697 -31.6692 -31.6692 -7.0947 -7.0942 -6.6261 -6.6261 -6.3166 -6.3158 -6.2631 -6.2630 0.8036 0.8094 1.0740 1.0762 1.3530 1.3581 1.7961 1.8017 2.0792 2.0867 2.1001 2.1151 2.1411 2.1526 2.4390 2.4392 2.4754 2.4834 2.5233 2.5446 3.1175 3.1264 3.1382 3.1472 3.6907 3.6912 3.8517 3.8688 3.9530 3.9623 4.0129 4.1100 4.1487 4.1584 4.1967 4.2687 4.3220 4.3679 4.4235 4.4867 4.4895 4.5284 4.6908 4.7060 5.0439 5.0930 5.0943 5.1139 5.4052 5.4430 5.7770 5.8140 5.9358 5.9452 7.6951 7.7098 7.8843 7.8896 8.1909 8.1971 8.3603 8.3604 8.4760 8.4879 11.3151 11.3170 11.7529 11.7719 k = 0.2167 0.5000-0.0000 ( 5870 PWs) bands (ev): -58.0423 -58.0423 -32.4921 -32.4921 -31.6697 -31.6697 -31.6692 -31.6692 -7.0825 -7.0820 -6.6214 -6.6214 -6.3297 -6.3289 -6.2674 -6.2673 0.8162 0.8223 1.0749 1.0772 1.3465 1.3519 1.8053 1.8112 2.0737 2.0796 2.0957 2.1133 2.1413 2.1531 2.4394 2.4438 2.4701 2.4750 2.5187 2.5422 3.0920 3.1025 3.1147 3.1241 3.6966 3.6979 3.8547 3.8730 3.9527 3.9652 4.0175 4.1070 4.1472 4.1614 4.2034 4.2620 4.3353 4.3845 4.4060 4.5046 4.5079 4.5130 4.6918 4.7113 5.0292 5.0789 5.0802 5.1020 5.4363 5.4677 5.7593 5.7968 5.9529 5.9603 7.7081 7.7231 7.8959 7.9018 8.1807 8.1858 8.3721 8.3733 8.4869 8.4993 11.3448 11.3466 11.8118 11.8306 k = 0.2333 0.5000-0.0000 ( 5874 PWs) bands (ev): -58.0423 -58.0423 -32.4921 -32.4921 -31.6698 -31.6698 -31.6692 -31.6692 -7.0696 -7.0690 -6.6164 -6.6164 -6.3435 -6.3427 -6.2720 -6.2719 0.8296 0.8360 1.0758 1.0782 1.3391 1.3447 1.8156 1.8219 2.0678 2.0724 2.0920 2.1119 2.1416 2.1536 2.4325 2.4424 2.4712 2.4718 2.5145 2.5401 3.0665 3.0788 3.0909 3.1005 3.7017 3.7039 3.8579 3.8777 3.9527 3.9680 4.0226 4.1035 4.1469 4.1648 4.2094 4.2546 4.3493 4.3867 4.4045 4.4915 4.5257 4.5295 4.6929 4.7172 5.0137 5.0643 5.0647 5.0890 5.4638 5.4886 5.7415 5.7791 5.9746 5.9796 7.7202 7.7354 7.9096 7.9160 8.1683 8.1724 8.3865 8.3885 8.4977 8.5103 11.3753 11.3769 11.8716 11.8890 k = 0.2500 0.5000-0.0000 ( 5868 PWs) bands (ev): -58.0423 -58.0423 -32.4921 -32.4921 -31.6698 -31.6698 -31.6693 -31.6693 -7.0560 -7.0554 -6.6112 -6.6112 -6.3581 -6.3572 -6.2768 -6.2767 0.8438 0.8502 1.0768 1.0792 1.3309 1.3365 1.8271 1.8337 2.0616 2.0650 2.0891 2.1108 2.1421 2.1541 2.4206 2.4333 2.4754 2.4761 2.5108 2.5388 3.0414 3.0552 3.0669 3.0767 3.7059 3.7091 3.8615 3.8829 3.9529 3.9706 4.0283 4.0993 4.1482 4.1683 4.2152 4.2466 4.3635 4.3730 4.4207 4.4754 4.5427 4.5500 4.6942 4.7235 4.9974 5.0481 5.0491 5.0750 5.4874 5.5058 5.7238 5.7612 6.0007 6.0029 7.7314 7.7464 7.9253 7.9324 8.1545 8.1577 8.4027 8.4054 8.5082 8.5210 11.4060 11.4074 11.9291 11.9434 k = 0.2667 0.5000-0.0000 ( 5886 PWs) bands (ev): -58.0424 -58.0424 -32.4921 -32.4921 -31.6698 -31.6698 -31.6693 -31.6693 -7.0418 -7.0412 -6.6058 -6.6058 -6.3732 -6.3723 -6.2818 -6.2817 0.8585 0.8651 1.0777 1.0801 1.3217 1.3274 1.8398 1.8466 2.0552 2.0577 2.0871 2.1103 2.1425 2.1545 2.4064 2.4201 2.4816 2.4817 2.5082 2.5386 3.0167 3.0320 3.0427 3.0528 3.7094 3.7137 3.8652 3.8883 3.9532 3.9728 4.0343 4.0945 4.1508 4.1716 4.2206 4.2382 4.3606 4.3768 4.4374 4.4613 4.5586 4.5700 4.6955 4.7301 4.9805 5.0306 5.0336 5.0599 5.5071 5.5195 5.7063 5.7432 6.0300 6.0304 7.7414 7.7561 7.9426 7.9505 8.1401 8.1424 8.4200 8.4231 8.5183 8.5310 11.4367 11.4377 11.9783 11.9866 k = 0.2833 0.5000-0.0000 ( 5880 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6698 -31.6698 -31.6693 -31.6693 -7.0271 -7.0265 -6.6004 -6.6004 -6.3888 -6.3879 -6.2868 -6.2867 0.8738 0.8805 1.0787 1.0811 1.3117 1.3172 1.8538 1.8608 2.0486 2.0504 2.0861 2.1102 2.1431 2.1549 2.3909 2.4050 2.4868 2.4872 2.5080 2.5400 2.9925 3.0093 3.0188 3.0289 3.7124 3.7177 3.8692 3.8939 3.9535 3.9745 4.0406 4.0892 4.1545 4.1743 4.2261 4.2300 4.3504 4.3877 4.4510 4.4542 4.5736 4.5895 4.6971 4.7367 4.9630 5.0123 5.0179 5.0441 5.5231 5.5302 5.6895 5.7254 6.0600 6.0628 7.7504 7.7645 7.9615 7.9702 8.1257 8.1272 8.4379 8.4412 8.5278 8.5405 11.4668 11.4675 12.0079 12.0082 k = 0.3000 0.5000-0.0000 ( 5880 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6698 -31.6698 -31.6693 -31.6693 -7.0120 -7.0114 -6.5949 -6.5949 -6.4048 -6.4039 -6.2920 -6.2919 0.8897 0.8963 1.0796 1.0819 1.3007 1.3060 1.8689 1.8761 2.0420 2.0433 2.0860 2.1107 2.1438 2.1552 2.3743 2.3886 2.4896 2.4903 2.5120 2.5434 2.9689 2.9871 2.9952 3.0052 3.7151 3.7212 3.8734 3.8995 3.9537 3.9756 4.0472 4.0836 4.1587 4.1752 4.2230 4.2318 4.3423 4.3924 4.4481 4.4707 4.5877 4.6082 4.6987 4.7430 4.9451 4.9933 5.0021 5.0275 5.5359 5.5385 5.6733 5.7080 6.0922 6.0968 7.7584 7.7718 7.9812 7.9909 8.1117 8.1123 8.4558 8.4593 8.5367 8.5492 11.4961 11.4964 12.0025 12.0078 k = 0.3167 0.5000-0.0000 ( 5878 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6698 -31.6698 -31.6693 -31.6693 -6.9966 -6.9960 -6.5893 -6.5893 -6.4211 -6.4201 -6.2971 -6.2970 0.9061 0.9126 1.0805 1.0828 1.2888 1.2939 1.8852 1.8926 2.0355 2.0364 2.0868 2.1116 2.1445 2.1555 2.3570 2.3712 2.4889 2.4922 2.5198 2.5489 2.9460 2.9655 2.9722 2.9819 3.7175 3.7243 3.8778 3.9049 3.9539 3.9761 4.0539 4.0782 4.1626 4.1731 4.2187 4.2379 4.3362 4.3888 4.4549 4.4872 4.6011 4.6260 4.7005 4.7489 4.9268 4.9739 4.9864 5.0106 5.5449 5.5460 5.6582 5.6911 6.1256 6.1315 7.7655 7.7780 8.0014 8.0121 8.0982 8.0986 8.4735 8.4770 8.5448 8.5570 11.5240 11.5241 11.9767 11.9833 k = 0.3333 0.5000-0.0000 ( 5886 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6699 -31.6699 -31.6693 -31.6693 -6.9811 -6.9804 -6.5839 -6.5839 -6.4375 -6.4365 -6.3022 -6.3021 0.9229 0.9292 1.0813 1.0835 1.2760 1.2808 1.9027 1.9101 2.0291 2.0298 2.0883 2.1129 2.1453 2.1558 2.3389 2.3530 2.4872 2.4925 2.5292 2.5562 2.9239 2.9447 2.9501 2.9592 3.7196 3.7269 3.8825 3.9102 3.9539 3.9760 4.0606 4.0730 4.1658 4.1672 4.2183 4.2445 4.3318 4.3803 4.4680 4.5034 4.6137 4.6428 4.7023 4.7537 4.9083 4.9541 4.9710 4.9936 5.5498 5.5539 5.6441 5.6749 6.1593 6.1660 7.7718 7.7833 8.0210 8.0330 8.0853 8.0872 8.4906 8.4940 8.5522 8.5640 11.5500 11.5505 11.9408 11.9468 k = 0.3500 0.5000-0.0000 ( 5886 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6699 -31.6699 -31.6693 -31.6693 -6.9655 -6.9648 -6.5786 -6.5785 -6.4538 -6.4528 -6.3072 -6.3071 0.9401 0.9462 1.0821 1.0842 1.2624 1.2668 1.9212 1.9287 2.0231 2.0236 2.0906 2.1145 2.1461 2.1560 2.3201 2.3340 2.4852 2.4919 2.5394 2.5646 2.9028 2.9246 2.9290 2.9373 3.7217 3.7292 3.8874 3.9152 3.9538 3.9754 4.0671 4.0683 4.1583 4.1679 4.2212 4.2516 4.3289 4.3703 4.4839 4.5196 4.6259 4.6584 4.7041 4.7571 4.8899 4.9342 4.9562 4.9769 5.5535 5.5599 5.6314 5.6595 6.1924 6.1995 7.7774 7.7879 8.0377 8.0515 8.0756 8.0796 8.5069 8.5101 8.5588 8.5700 11.5741 11.5750 11.9011 11.9060 k = 0.3667 0.5000-0.0000 ( 5866 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6699 -31.6699 -31.6693 -31.6693 -6.9501 -6.9495 -6.5735 -6.5734 -6.4698 -6.4689 -6.3120 -6.3119 0.9576 0.9634 1.0829 1.0848 1.2482 1.2520 1.9408 1.9482 2.0175 2.0179 2.0934 2.1163 2.1471 2.1562 2.3007 2.3143 2.4834 2.4906 2.5499 2.5736 2.8829 2.9055 2.9092 2.9166 3.7237 3.7312 3.8926 3.9199 3.9536 3.9744 4.0643 4.0736 4.1480 4.1685 4.2261 4.2593 4.3271 4.3601 4.5015 4.5356 4.6377 4.6729 4.7057 4.7587 4.8716 4.9146 4.9422 4.9607 5.5564 5.5646 5.6202 5.6452 6.2240 6.2311 7.7823 7.7918 8.0453 8.0554 8.0809 8.0815 8.5222 8.5250 8.5647 8.5751 11.5961 11.5974 11.8613 11.8651 k = 0.3833 0.5000-0.0000 ( 5876 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6699 -31.6699 -31.6693 -31.6693 -6.9352 -6.9346 -6.5687 -6.5686 -6.4854 -6.4845 -6.3166 -6.3165 0.9754 0.9808 1.0835 1.0853 1.2332 1.2364 1.9612 1.9685 2.0124 2.0128 2.0967 2.1180 2.1481 2.1562 2.2807 2.2939 2.4817 2.4890 2.5605 2.5828 2.8645 2.8876 2.8908 2.8970 3.7256 3.7328 3.8978 3.9242 3.9533 3.9729 4.0610 4.0797 4.1372 4.1676 4.2321 4.2670 4.3261 4.3503 4.5199 4.5516 4.6492 4.6859 4.7071 4.7577 4.8538 4.8955 4.9291 4.9454 5.5584 5.5680 5.6106 5.6319 6.2536 6.2604 7.7866 7.7950 8.0424 8.0477 8.0943 8.0979 8.5362 8.5386 8.5698 8.5792 11.6159 11.6174 11.8232 11.8261 k = 0.4000 0.5000-0.0000 ( 5868 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6699 -31.6699 -31.6694 -31.6694 -6.9209 -6.9203 -6.5643 -6.5642 -6.5001 -6.4993 -6.3208 -6.3207 0.9933 0.9983 1.0842 1.0858 1.2177 1.2203 1.9822 1.9890 2.0080 2.0088 2.1002 2.1197 2.1492 2.1562 2.2602 2.2730 2.4803 2.4872 2.5709 2.5917 2.8479 2.8710 2.8742 2.8790 3.7275 3.7342 3.9032 3.9281 3.9528 3.9710 4.0587 4.0854 4.1269 4.1653 4.2389 4.2746 4.3256 4.3413 4.5390 4.5674 4.6605 4.6959 4.7095 4.7539 4.8367 4.8774 4.9173 4.9314 5.5597 5.5705 5.6028 5.6200 6.2804 6.2866 7.7904 7.7977 8.0364 8.0396 8.1101 8.1149 8.5487 8.5506 8.5742 8.5824 11.6332 11.6349 11.7883 11.7904 k = 0.4167 0.5000-0.0000 ( 5876 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6699 -31.6699 -31.6694 -31.6694 -6.9077 -6.9072 -6.5604 -6.5603 -6.5137 -6.5129 -6.3246 -6.3245 1.0114 1.0158 1.0847 1.0862 1.2017 1.2037 2.0004 2.0015 2.0076 2.0140 2.1038 2.1212 2.1503 2.1561 2.2393 2.2517 2.4793 2.4854 2.5810 2.6000 2.8334 2.8559 2.8594 2.8626 3.7291 3.7352 3.9085 3.9314 3.9522 3.9688 4.0574 4.0897 4.1183 4.1618 4.2461 4.2815 4.3253 4.3331 4.5586 4.5832 4.6714 4.6989 4.7164 4.7469 4.8206 4.8605 4.9072 4.9189 5.5606 5.5721 5.5967 5.6096 6.3040 6.3095 7.7937 7.7997 8.0303 8.0324 8.1253 8.1303 8.5595 8.5608 8.5780 8.5849 11.6480 11.6497 11.7574 11.7589 k = 0.4333 0.5000-0.0000 ( 5872 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6699 -31.6699 -31.6694 -31.6694 -6.8960 -6.8955 -6.5571 -6.5570 -6.5257 -6.5249 -6.3278 -6.3277 1.0294 1.0333 1.0853 1.0865 1.1854 1.1867 1.9995 1.9997 2.0272 2.0346 2.1074 2.1222 2.1514 2.1558 2.2181 2.2301 2.4786 2.4838 2.5905 2.6072 2.8216 2.8426 2.8467 2.8483 3.7307 3.7358 3.9138 3.9339 3.9518 3.9664 4.0573 4.0907 4.1138 4.1571 4.2535 4.2872 4.3250 4.3262 4.5787 4.5988 4.6818 4.6962 4.7262 4.7372 4.8061 4.8449 4.8990 4.9084 5.5611 5.5727 5.5923 5.6009 6.3241 6.3286 7.7964 7.8013 8.0251 8.0266 8.1389 8.1434 8.5686 8.5691 8.5815 8.5866 11.6603 11.6619 11.7313 11.7323 k = 0.4500 0.5000-0.0000 ( 5868 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6700 -31.6699 -31.6694 -31.6694 -6.8861 -6.8857 -6.5547 -6.5545 -6.5355 -6.5348 -6.3304 -6.3304 1.0471 1.0503 1.0858 1.0869 1.1692 1.1698 1.9971 1.9972 2.0494 2.0563 2.1106 2.1228 2.1525 2.1553 2.1968 2.2086 2.4782 2.4822 2.5992 2.6128 2.8128 2.8308 2.8365 2.8368 3.7322 3.7362 3.9188 3.9354 3.9518 3.9638 4.0583 4.0867 4.1152 4.1517 4.2609 4.2907 4.3211 4.3244 4.5989 4.6141 4.6898 4.6902 4.7266 4.7352 4.7942 4.8304 4.8929 4.9000 5.5617 5.5724 5.5894 5.5942 6.3401 6.3436 7.7987 7.8024 8.0210 8.0220 8.1501 8.1538 8.5752 8.5756 8.5846 8.5877 11.6699 11.6713 11.7106 11.7112 k = 0.4667 0.5000-0.0000 ( 5872 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6700 -31.6700 -31.6694 -31.6694 -6.8786 -6.8783 -6.5534 -6.5532 -6.5424 -6.5418 -6.3324 -6.3323 1.0639 1.0661 1.0864 1.0874 1.1535 1.1535 1.9953 1.9953 2.0713 2.0773 2.1135 2.1229 2.1532 2.1543 2.1765 2.1878 2.4781 2.4809 2.6066 2.6163 2.8074 2.8206 2.8286 2.8288 3.7335 3.7362 3.9235 3.9353 3.9525 3.9612 4.0604 4.0804 4.1201 4.1457 4.2683 4.2907 4.3187 4.3235 4.6190 4.6290 4.6818 4.6898 4.7214 4.7410 4.7868 4.8170 4.8889 4.8938 5.5625 5.5708 5.5876 5.5899 6.3519 6.3543 7.8005 7.8030 8.0180 8.0186 8.1586 8.1612 8.5792 8.5804 8.5873 8.5886 11.6768 11.6778 11.6956 11.6958 k = 0.4833 0.5000-0.0000 ( 5860 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6700 -31.6700 -31.6694 -31.6694 -6.8738 -6.8737 -6.5535 -6.5534 -6.5457 -6.5453 -6.3335 -6.3335 1.0773 1.0781 1.0878 1.0890 1.1395 1.1399 1.9942 1.9942 2.0914 2.0953 2.1157 2.1222 2.1513 2.1518 2.1619 2.1702 2.4784 2.4798 2.6124 2.6175 2.8056 2.8126 2.8238 2.8240 3.7346 3.7359 3.9277 3.9339 3.9541 3.9587 4.0638 4.0740 4.1262 4.1393 4.2754 4.2874 4.3190 4.3222 4.6386 4.6430 4.6717 4.6782 4.7263 4.7404 4.7869 4.8046 4.8871 4.8896 5.5639 5.5684 5.5868 5.5876 6.3594 6.3606 7.8018 7.8031 8.0163 8.0166 8.1642 8.1655 8.5816 8.5826 8.5892 8.5895 11.6805 11.6812 11.6870 11.6870 k = 0.5000 0.5000-0.0000 ( 5856 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6700 -31.6700 -31.6694 -31.6694 -6.8722 -6.8722 -6.5540 -6.5540 -6.5462 -6.5462 -6.3339 -6.3339 1.0819 1.0819 1.0908 1.0908 1.1333 1.1333 1.9938 1.9938 2.1029 2.1029 2.1187 2.1187 2.1475 2.1475 2.1612 2.1612 2.4790 2.4790 2.6161 2.6161 2.8075 2.8075 2.8223 2.8223 3.7354 3.7354 3.9313 3.9313 3.9562 3.9562 4.0684 4.0684 4.1327 4.1327 4.2819 4.2819 4.3205 4.3205 4.6523 4.6523 4.6650 4.6650 4.7342 4.7342 4.7940 4.7940 4.8874 4.8874 5.5659 5.5659 5.5867 5.5867 6.3622 6.3622 7.8027 7.8027 8.0159 8.0159 8.1665 8.1665 8.5828 8.5828 8.5899 8.5899 11.6810 11.6810 11.6851 11.6851 k = 0.5000 0.5000-0.0000 ( 5856 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6700 -31.6700 -31.6694 -31.6694 -6.8722 -6.8722 -6.5540 -6.5540 -6.5462 -6.5462 -6.3339 -6.3339 1.0819 1.0819 1.0908 1.0908 1.1333 1.1333 1.9938 1.9938 2.1029 2.1029 2.1187 2.1187 2.1475 2.1475 2.1612 2.1612 2.4790 2.4790 2.6161 2.6161 2.8075 2.8075 2.8223 2.8223 3.7354 3.7354 3.9313 3.9313 3.9562 3.9562 4.0684 4.0684 4.1327 4.1327 4.2819 4.2819 4.3205 4.3205 4.6523 4.6523 4.6650 4.6650 4.7342 4.7342 4.7940 4.7940 4.8874 4.8874 5.5659 5.5659 5.5867 5.5867 6.3622 6.3622 7.8027 7.8027 8.0159 8.0159 8.1665 8.1665 8.5828 8.5828 8.5899 8.5899 11.6810 11.6810 11.6851 11.6851 k = 0.4881 0.4881-0.0000 ( 5860 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6700 -31.6700 -31.6694 -31.6694 -6.8739 -6.8737 -6.5534 -6.5533 -6.5458 -6.5454 -6.3335 -6.3335 1.0779 1.0781 1.0873 1.0886 1.1397 1.1401 1.9942 1.9942 2.0917 2.0947 2.1142 2.1234 2.1516 2.1519 2.1637 2.1685 2.4784 2.4799 2.6124 2.6175 2.8057 2.8124 2.8238 2.8243 3.7345 3.7359 3.9277 3.9340 3.9541 3.9587 4.0638 4.0741 4.1261 4.1393 4.2752 4.2875 4.3188 4.3224 4.6396 4.6414 4.6727 4.6777 4.7261 4.7405 4.7869 4.8048 4.8871 4.8896 5.5639 5.5685 5.5869 5.5875 6.3593 6.3605 7.8018 7.8031 8.0163 8.0166 8.1641 8.1655 8.5813 8.5827 8.5892 8.5896 11.6784 11.6787 11.6891 11.6895 k = 0.4762 0.4762-0.0000 ( 5868 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6700 -31.6700 -31.6694 -31.6694 -6.8788 -6.8785 -6.5516 -6.5514 -6.5440 -6.5434 -6.3323 -6.3323 1.0659 1.0673 1.0835 1.0844 1.1547 1.1548 1.9952 1.9954 2.0717 2.0762 2.1082 2.1250 2.1547 2.1617 2.1781 2.1810 2.4781 2.4810 2.6070 2.6164 2.8071 2.8178 2.8287 2.8319 3.7334 3.7362 3.9233 3.9358 3.9522 3.9613 4.0602 4.0805 4.1203 4.1455 4.2677 4.2916 4.3167 4.3251 4.6203 4.6262 4.6845 4.6889 4.7208 4.7408 4.7869 4.8175 4.8888 4.8938 5.5623 5.5715 5.5880 5.5891 6.3518 6.3542 7.8005 7.8030 8.0181 8.0187 8.1585 8.1611 8.5770 8.5805 8.5882 8.5897 11.6666 11.6671 11.7060 11.7068 k = 0.4643 0.4643-0.0000 ( 5870 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6699 -31.6699 -31.6694 -31.6694 -6.8867 -6.8863 -6.5490 -6.5487 -6.5409 -6.5399 -6.3303 -6.3303 1.0510 1.0534 1.0791 1.0797 1.1726 1.1730 1.9964 1.9973 2.0489 2.0550 2.1020 2.1229 2.1609 2.1710 2.1949 2.1965 2.4781 2.4825 2.6011 2.6135 2.8105 2.8221 2.8378 2.8454 3.7322 3.7362 3.9183 3.9370 3.9507 3.9637 4.0577 4.0869 4.1162 4.1510 4.2596 4.2934 4.3143 4.3296 4.6002 4.6102 4.6890 4.6949 4.7246 4.7347 4.7950 4.8317 4.8925 4.8998 5.5614 5.5747 5.5902 5.5916 6.3398 6.3433 7.7987 7.8024 8.0210 8.0220 8.1499 8.1536 8.5692 8.5746 8.5884 8.5907 11.6471 11.6477 11.7342 11.7354 k = 0.4524 0.4524-0.0000 ( 5878 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6699 -31.6699 -31.6694 -31.6694 -6.8974 -6.8969 -6.5456 -6.5452 -6.5363 -6.5350 -6.3276 -6.3276 1.0354 1.0383 1.0732 1.0737 1.1923 1.1933 1.9961 1.9994 2.0255 2.0346 2.0961 2.1191 2.1695 2.1797 2.2110 2.2122 2.4783 2.4844 2.5958 2.6099 2.8147 2.8266 2.8513 2.8628 3.7307 3.7359 3.9129 3.9377 3.9493 3.9659 4.0561 4.0908 4.1163 4.1554 4.2507 4.2928 4.3115 4.3364 4.5798 4.5937 4.6809 4.7026 4.7259 4.7344 4.8078 4.8474 4.8980 4.9074 5.5610 5.5781 5.5933 5.5946 6.3237 6.3283 7.7964 7.8014 8.0251 8.0265 8.1387 8.1432 8.5584 8.5654 8.5895 8.5923 11.6207 11.6215 11.7730 11.7743 k = 0.4405 0.4405-0.0000 ( 5886 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6699 -31.6699 -31.6694 -31.6694 -6.9105 -6.9099 -6.5417 -6.5412 -6.5304 -6.5289 -6.3243 -6.3242 1.0195 1.0229 1.0657 1.0662 1.2133 1.2149 1.9881 1.9934 2.0103 2.0219 2.0907 2.1148 2.1795 2.1886 2.2257 2.2265 2.4789 2.4867 2.5921 2.6068 2.8194 2.8319 2.8684 2.8825 3.7292 3.7352 3.9075 3.9381 3.9479 3.9676 4.0552 4.0904 4.1219 4.1586 4.2414 4.2898 4.3085 4.3454 4.5596 4.5771 4.6704 4.7032 4.7209 4.7440 4.8234 4.8645 4.9051 4.9165 5.5612 5.5819 5.5972 5.5984 6.3038 6.3094 7.7938 7.7999 8.0301 8.0322 8.1252 8.1303 8.5450 8.5535 8.5910 8.5942 11.5882 11.5892 11.8213 11.8223 k = 0.4286 0.4286-0.0000 ( 5890 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6699 -31.6699 -31.6694 -31.6694 -6.9256 -6.9251 -6.5372 -6.5365 -6.5235 -6.5218 -6.3204 -6.3202 1.0033 1.0072 1.0567 1.0571 1.2356 1.2376 1.9686 1.9702 2.0128 2.0210 2.0857 2.1104 2.1904 2.1977 2.2383 2.2389 2.4799 2.4895 2.5909 2.6052 2.8248 2.8379 2.8882 2.9040 3.7276 3.7344 3.9020 3.9382 3.9465 3.9689 4.0549 4.0878 4.1309 4.1604 4.2316 4.2849 4.3055 4.3562 4.5397 4.5605 4.6591 4.6941 4.7233 4.7520 4.8408 4.8830 4.9137 4.9267 5.5617 5.5861 5.6016 5.6027 6.2806 6.2870 7.7907 7.7980 8.0358 8.0389 8.1103 8.1154 8.5293 8.5392 8.5927 8.5963 11.5504 11.5515 11.8777 11.8782 k = 0.4167 0.4167-0.0000 ( 5898 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6699 -31.6699 -31.6694 -31.6693 -6.9426 -6.9420 -6.5320 -6.5312 -6.5158 -6.5140 -6.3160 -6.3158 0.9870 0.9913 1.0461 1.0465 1.2589 1.2615 1.9442 1.9443 2.0187 2.0253 2.0813 2.1062 2.2021 2.2070 2.2487 2.2489 2.4812 2.4928 2.5928 2.6060 2.8309 2.8447 2.9098 2.9267 3.7260 3.7332 3.8965 3.9382 3.9450 3.9698 4.0552 4.0846 4.1407 4.1609 4.2215 4.2785 4.3030 4.3683 4.5207 4.5439 4.6476 4.6816 4.7271 4.7578 4.8594 4.9025 4.9238 4.9379 5.5624 5.5908 5.6060 5.6075 6.2546 6.2618 7.7874 7.7958 8.0414 8.0465 8.0950 8.0989 8.5118 8.5230 8.5944 8.5983 11.5079 11.5091 11.9400 11.9404 k = 0.4048 0.4048-0.0000 ( 5898 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6699 -31.6699 -31.6693 -31.6693 -6.9611 -6.9605 -6.5262 -6.5253 -6.5074 -6.5055 -6.3112 -6.3110 0.9703 0.9749 1.0339 1.0344 1.2832 1.2864 1.9174 1.9182 2.0260 2.0318 2.0773 2.1023 2.2143 2.2167 2.2565 2.2567 2.4830 2.4966 2.5982 2.6097 2.8377 2.8523 2.9329 2.9502 3.7246 3.7319 3.8910 3.9382 3.9434 3.9703 4.0560 4.0817 4.1497 4.1602 4.2113 4.2706 4.3017 4.3810 4.5030 4.5275 4.6363 4.6682 4.7304 4.7617 4.8789 4.9223 4.9357 4.9501 5.5631 5.5962 5.6101 5.6127 6.2266 6.2342 7.7838 7.7933 8.0444 8.0539 8.0821 8.0822 8.4928 8.5052 8.5960 8.6001 11.4614 11.4625 12.0054 12.0073 k = 0.3929 0.3929-0.0000 ( 5898 PWs) bands (ev): -58.0424 -58.0424 -32.4922 -32.4922 -31.6699 -31.6699 -31.6693 -31.6693 -6.9808 -6.9802 -6.5197 -6.5187 -6.4986 -6.4966 -6.3062 -6.3060 0.9533 0.9581 1.0203 1.0208 1.3086 1.3122 1.8904 1.8915 2.0345 2.0395 2.0740 2.0985 2.2267 2.2271 2.2619 2.2626 2.4853 2.5009 2.6072 2.6166 2.8453 2.8606 2.9568 2.9742 3.7233 3.7303 3.8856 3.9381 3.9417 3.9705 4.0570 4.0792 4.1566 4.1587 4.2012 4.2614 4.3022 4.3928 4.4878 4.5114 4.6250 4.6544 4.7330 4.7637 4.8989 4.9397 4.9516 4.9630 5.5633 5.6022 5.6136 5.6184 6.1972 6.2051 7.7800 7.7905 8.0385 8.0536 8.0731 8.0780 8.4727 8.4862 8.5972 8.6015 11.4112 11.4123 12.0716 12.0752 k = 0.3810 0.3810-0.0000 ( 5900 PWs) bands (ev): -58.0424 -58.0424 -32.4922 -32.4922 -31.6698 -31.6698 -31.6693 -31.6693 -7.0015 -7.0009 -6.5126 -6.5115 -6.4894 -6.4874 -6.3011 -6.3008 0.9358 0.9408 1.0053 1.0058 1.3348 1.3389 1.8631 1.8643 2.0439 2.0477 2.0714 2.0950 2.2369 2.2402 2.2656 2.2666 2.4881 2.5057 2.6196 2.6267 2.8535 2.8696 2.9814 2.9986 3.7222 3.7285 3.8802 3.9380 3.9398 3.9705 4.0584 4.0773 4.1565 4.1601 4.1914 4.2510 4.3055 4.4010 4.4778 4.4957 4.6140 4.6403 4.7350 4.7644 4.9188 4.9531 4.9725 4.9770 5.5626 5.6080 5.6167 5.6246 6.1672 6.1752 7.7760 7.7875 8.0237 8.0376 8.0798 8.0831 8.4520 8.4664 8.5980 8.6024 11.3578 11.3588 12.1345 12.1401 k = 0.3690 0.3690-0.0000 ( 5886 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6698 -31.6698 -31.6693 -31.6693 -7.0230 -7.0224 -6.5049 -6.5036 -6.4800 -6.4779 -6.2958 -6.2955 0.9178 0.9230 0.9889 0.9895 1.3618 1.3664 1.8358 1.8369 2.0541 2.0551 2.0706 2.0917 2.2470 2.2531 2.2686 2.2699 2.4914 2.5110 2.6352 2.6400 2.8625 2.8792 3.0063 3.0232 3.7214 3.7266 3.8748 3.9378 3.9379 3.9704 4.0600 4.0758 4.1539 4.1597 4.1822 4.2395 4.3117 4.4017 4.4767 4.4807 4.6031 4.6261 4.7365 4.7638 4.9380 4.9652 4.9924 4.9956 5.5604 5.6108 5.6219 5.6314 6.1375 6.1454 7.7720 7.7844 8.0055 8.0182 8.0903 8.0919 8.4310 8.4461 8.5982 8.6028 11.3015 11.3023 12.1890 12.1967 k = 0.3571 0.3571-0.0000 ( 5898 PWs) bands (ev): -58.0424 -58.0424 -32.4922 -32.4922 -31.6698 -31.6698 -31.6693 -31.6693 -7.0451 -7.0446 -6.4966 -6.4952 -6.4703 -6.4681 -6.2906 -6.2903 0.8993 0.9045 0.9712 0.9719 1.3895 1.3945 1.8084 1.8094 2.0584 2.0647 2.0744 2.0886 2.2559 2.2628 2.2727 2.2760 2.4952 2.5168 2.6537 2.6561 2.8721 2.8893 3.0313 3.0477 3.7207 3.7245 3.8693 3.9357 3.9377 3.9701 4.0616 4.0746 4.1510 4.1551 4.1736 4.2270 4.3204 4.3940 4.4667 4.4849 4.5923 4.6118 4.7378 4.7624 4.9556 4.9768 5.0099 5.0197 5.5559 5.6088 5.6302 5.6390 6.1087 6.1163 7.7681 7.7811 7.9862 7.9981 8.1016 8.1020 8.4102 8.4258 8.5978 8.6024 11.2424 11.2430 12.1979 12.2084 k = 0.3452 0.3452-0.0000 ( 5890 PWs) bands (ev): -58.0424 -58.0424 -32.4921 -32.4921 -31.6698 -31.6698 -31.6693 -31.6693 -7.0677 -7.0672 -6.4878 -6.4863 -6.4604 -6.4582 -6.2855 -6.2851 0.8801 0.8854 0.9523 0.9531 1.4179 1.4232 1.7811 1.7820 2.0577 2.0755 2.0824 2.0855 2.2617 2.2668 2.2805 2.2883 2.4996 2.5231 2.6747 2.6748 2.8822 2.9000 3.0564 3.0721 3.7202 3.7222 3.8638 3.9334 3.9375 3.9700 4.0632 4.0737 4.1471 4.1481 4.1656 4.2138 4.3304 4.3815 4.4545 4.4986 4.5816 4.5975 4.7390 4.7605 4.9711 4.9878 5.0298 5.0446 5.5486 5.6031 5.6402 5.6476 6.0819 6.0890 7.7642 7.7780 7.9666 7.9779 8.1126 8.1132 8.3901 8.4060 8.5967 8.6014 11.1809 11.1813 12.1485 12.1593 k = 0.3333 0.3333-0.0000 ( 5888 PWs) bands (ev): -58.0424 -58.0424 -32.4921 -32.4921 -31.6697 -31.6697 -31.6693 -31.6693 -7.0906 -7.0902 -6.4785 -6.4769 -6.4503 -6.4481 -6.2805 -6.2801 0.8605 0.8657 0.9323 0.9331 1.4466 1.4522 1.7541 1.7547 2.0557 2.0824 2.0859 2.0911 2.2656 2.2692 2.2919 2.3034 2.5045 2.5298 2.6958 2.6977 2.8930 2.9113 3.0812 3.0963 3.7197 3.7198 3.8583 3.9311 3.9371 3.9700 4.0645 4.0729 4.1366 4.1452 4.1584 4.2001 4.3395 4.3671 4.4455 4.5145 4.5707 4.5836 4.7404 4.7584 4.9842 4.9983 5.0523 5.0702 5.5378 5.5934 5.6514 5.6571 6.0576 6.0642 7.7606 7.7749 7.9472 7.9580 8.1231 8.1248 8.3713 8.3870 8.5947 8.5995 11.1171 11.1171 12.0996 12.1102 k = 0.3214 0.3214-0.0000 ( 5894 PWs) bands (ev): -58.0424 -58.0424 -32.4921 -32.4921 -31.6697 -31.6697 -31.6693 -31.6693 -7.1137 -7.1133 -6.4687 -6.4670 -6.4401 -6.4379 -6.2758 -6.2753 0.8403 0.8454 0.9112 0.9122 1.4757 1.4814 1.7274 1.7276 2.0534 2.0795 2.0951 2.0990 2.2700 2.2725 2.3050 2.3195 2.5098 2.5367 2.7187 2.7226 2.9043 2.9229 3.1058 3.1201 3.7169 3.7194 3.8531 3.9288 3.9365 3.9704 4.0653 4.0721 4.1238 4.1423 4.1523 4.1865 4.3453 4.3520 4.4415 4.5292 4.5595 4.5718 4.7421 4.7564 4.9953 5.0081 5.0769 5.0965 5.5232 5.5797 5.6634 5.6676 6.0362 6.0423 7.7572 7.7719 7.9282 7.9384 8.1327 8.1357 8.3544 8.3694 8.5920 8.5967 11.0508 11.0511 12.0517 12.0620 k = 0.3095 0.3095-0.0000 ( 5890 PWs) bands (ev): -58.0424 -58.0424 -32.4921 -32.4921 -31.6697 -31.6697 -31.6693 -31.6693 -7.1369 -7.1365 -6.4585 -6.4567 -6.4298 -6.4276 -6.2713 -6.2708 0.8196 0.8246 0.8893 0.8904 1.5048 1.5106 1.7010 1.7012 2.0509 2.0765 2.1025 2.1053 2.2765 2.2781 2.3193 2.3363 2.5156 2.5440 2.7433 2.7489 2.9161 2.9351 3.1299 3.1434 3.7139 3.7188 3.8482 3.9264 3.9357 3.9713 4.0650 4.0711 4.1092 4.1391 4.1476 4.1739 4.3369 4.3455 4.4445 4.5346 4.5480 4.5696 4.7442 4.7548 5.0048 5.0172 5.1033 5.1234 5.5049 5.5619 5.6762 5.6790 6.0181 6.0238 7.7542 7.7691 7.9096 7.9193 8.1410 8.1455 8.3400 8.3539 8.5883 8.5931 10.9823 10.9830 12.0053 12.0151 k = 0.2976 0.2976-0.0000 ( 5880 PWs) bands (ev): -58.0424 -58.0424 -32.4921 -32.4921 -31.6696 -31.6696 -31.6693 -31.6693 -7.1599 -7.1596 -6.4479 -6.4460 -6.4194 -6.4172 -6.2672 -6.2666 0.7984 0.8033 0.8666 0.8677 1.5337 1.5392 1.6751 1.6761 2.0483 2.0735 2.1078 2.1094 2.2857 2.2865 2.3345 2.3538 2.5219 2.5516 2.7694 2.7766 2.9285 2.9477 3.1535 3.1661 3.7105 3.7177 3.8441 3.9239 3.9346 3.9728 4.0632 4.0699 4.0931 4.1349 4.1444 4.1635 4.3221 4.3399 4.4538 4.5256 4.5361 4.5816 4.7470 4.7539 5.0131 5.0255 5.1312 5.1511 5.4831 5.5402 5.6897 5.6911 6.0031 6.0086 7.7515 7.7666 7.8917 7.9009 8.1471 8.1536 8.3289 8.3412 8.5838 8.5885 10.9119 10.9130 11.9607 11.9700 k = 0.2857 0.2857-0.0000 ( 5888 PWs) bands (ev): -58.0424 -58.0424 -32.4921 -32.4921 -31.6696 -31.6696 -31.6692 -31.6692 -7.1829 -7.1825 -6.4370 -6.4351 -6.4089 -6.4068 -6.2633 -6.2628 0.7770 0.7817 0.8432 0.8444 1.5613 1.5657 1.6507 1.6533 2.0457 2.0705 2.1105 2.1113 2.2978 2.2979 2.3504 2.3717 2.5284 2.5592 2.7968 2.8053 2.9414 2.9608 3.1764 3.1882 3.7068 3.7159 3.8410 3.9213 3.9332 3.9750 4.0588 4.0679 4.0764 4.1298 4.1427 4.1566 4.3078 4.3305 4.4669 4.5112 4.5242 4.5984 4.7505 4.7538 5.0204 5.0331 5.1602 5.1795 5.4581 5.5150 5.7036 5.7039 5.9910 5.9963 7.7493 7.7643 7.8744 7.8831 8.1505 8.1592 8.3219 8.3319 8.5784 8.5831 10.8397 10.8412 11.9183 11.9267 k = 0.2738 0.2738-0.0000 ( 5872 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6696 -31.6696 -31.6692 -31.6692 -7.2055 -7.2052 -6.4258 -6.4239 -6.3985 -6.3964 -6.2598 -6.2592 0.7553 0.7598 0.8193 0.8206 1.5834 1.5840 1.6322 1.6390 2.0430 2.0674 2.1109 2.1110 2.3124 2.3127 2.3670 2.3900 2.5354 2.5670 2.8252 2.8349 2.9548 2.9743 3.1985 3.2095 3.7026 3.7130 3.8395 3.9185 3.9316 3.9779 4.0511 4.0562 4.0684 4.1249 4.1425 4.1529 4.2943 4.3191 4.4800 4.4953 4.5144 4.6162 4.7546 4.7548 5.0269 5.0400 5.1904 5.2085 5.4308 5.4871 5.7170 5.7177 5.9814 5.9866 7.7475 7.7623 7.8580 7.8661 8.1510 8.1619 8.3191 8.3267 8.5722 8.5768 10.7658 10.7677 11.8781 11.8857 k = 0.2619 0.2619-0.0000 ( 5878 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6695 -31.6695 -31.6692 -31.6692 -7.2278 -7.2276 -6.4145 -6.4125 -6.3880 -6.3859 -6.2566 -6.2560 0.7334 0.7377 0.7950 0.7963 1.5796 1.5823 1.6371 1.6474 2.0402 2.0642 2.1089 2.1092 2.3295 2.3298 2.3842 2.4085 2.5426 2.5748 2.8546 2.8653 2.9688 2.9882 3.2197 3.2299 3.6979 3.7087 3.8396 3.9151 3.9297 3.9816 4.0376 4.0400 4.0665 4.1214 4.1436 4.1511 4.2817 4.3067 4.4786 4.4824 4.5160 4.6339 4.7566 4.7600 5.0327 5.0462 5.2215 5.2382 5.4017 5.4569 5.7303 5.7320 5.9737 5.9789 7.7462 7.7605 7.8422 7.8499 8.1488 8.1615 8.3204 8.3256 8.5652 8.5697 10.6904 10.6925 11.8403 11.8471 k = 0.2500 0.2500-0.0000 ( 5882 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6695 -31.6695 -31.6692 -31.6692 -7.2497 -7.2495 -6.4030 -6.4010 -6.3776 -6.3755 -6.2538 -6.2531 0.7116 0.7156 0.7704 0.7718 1.5606 1.5628 1.6605 1.6706 2.0375 2.0611 2.1055 2.1059 2.3485 2.3487 2.4018 2.4274 2.5500 2.5826 2.8847 2.8963 2.9833 3.0026 3.2400 3.2494 3.6926 3.7030 3.8416 3.9110 3.9272 3.9857 4.0185 4.0265 4.0650 4.1197 4.1457 4.1505 4.2702 4.2938 4.4617 4.4717 4.5310 4.6511 4.7596 4.7662 5.0380 5.0518 5.2535 5.2681 5.3719 5.4253 5.7435 5.7460 5.9674 5.9725 7.7452 7.7588 7.8273 7.8345 8.1448 8.1587 8.3249 8.3283 8.5575 8.5619 10.6136 10.6160 11.8051 11.8109 k = 0.2381 0.2381-0.0000 ( 5870 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6695 -31.6695 -31.6692 -31.6692 -7.2710 -7.2708 -6.3914 -6.3895 -6.3672 -6.3652 -6.2512 -6.2506 0.6898 0.6936 0.7456 0.7471 1.5384 1.5401 1.6874 1.6971 2.0347 2.0578 2.1011 2.1015 2.3689 2.3691 2.4199 2.4463 2.5576 2.5903 2.9154 2.9277 2.9985 3.0175 3.2591 3.2678 3.6868 3.6959 3.8456 3.9057 3.9240 3.9886 4.0017 4.0120 4.0638 4.1190 4.1488 4.1504 4.2601 4.2809 4.4445 4.4572 4.5499 4.6678 4.7639 4.7735 5.0429 5.0567 5.2862 5.2962 5.3441 5.3931 5.7565 5.7598 5.9620 5.9670 7.7445 7.7573 7.8132 7.8199 8.1401 8.1545 8.3319 8.3337 8.5491 8.5534 10.5355 10.5381 11.7725 11.7774 k = 0.2262 0.2262-0.0000 ( 5874 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6694 -31.6694 -31.6692 -31.6692 -7.2918 -7.2916 -6.3798 -6.3779 -6.3570 -6.3550 -6.2491 -6.2484 0.6683 0.6718 0.7209 0.7224 1.5157 1.5170 1.7145 1.7240 2.0319 2.0546 2.0959 2.0961 2.3900 2.3906 2.4382 2.4652 2.5652 2.5979 2.9464 2.9593 3.0143 3.0330 3.2772 3.2851 3.6803 3.6875 3.8511 3.8984 3.9191 3.9781 3.9978 4.0000 4.0628 4.1186 4.1508 4.1526 4.2516 4.2683 4.4274 4.4413 4.5701 4.6838 4.7692 4.7817 5.0474 5.0611 5.2990 5.3183 5.3421 5.3618 5.7690 5.7730 5.9572 5.9620 7.7439 7.7558 7.8000 7.8061 8.1356 8.1498 8.3402 8.3411 8.5402 8.5443 10.4563 10.4590 11.7426 11.7466 k = 0.2143 0.2143-0.0000 ( 5860 PWs) bands (ev): -58.0424 -58.0424 -32.4919 -32.4919 -31.6694 -31.6694 -31.6692 -31.6692 -7.3119 -7.3117 -6.3683 -6.3664 -6.3469 -6.3450 -6.2472 -6.2465 0.6471 0.6504 0.6963 0.6978 1.4932 1.4942 1.7413 1.7506 2.0291 2.0513 2.0903 2.0904 2.4115 2.4127 2.4567 2.4839 2.5730 2.6052 2.9777 2.9910 3.0309 3.0489 3.2941 3.3013 3.6732 3.6781 3.8578 3.8887 3.9109 3.9634 3.9855 4.0059 4.0622 4.1179 4.1517 4.1569 4.2451 4.2560 4.4103 4.4249 4.5910 4.6991 4.7756 4.7911 5.0517 5.0650 5.2721 5.3221 5.3595 5.3708 5.7808 5.7855 5.9526 5.9571 7.7434 7.7540 7.7876 7.7933 8.1322 8.1457 8.3493 8.3495 8.5309 8.5348 10.3761 10.3789 11.7154 11.7185 k = 0.2024 0.2024-0.0000 ( 5856 PWs) bands (ev): -58.0424 -58.0424 -32.4919 -32.4919 -31.6694 -31.6694 -31.6692 -31.6692 -7.3312 -7.3311 -6.3569 -6.3550 -6.3370 -6.3352 -6.2456 -6.2449 0.6263 0.6294 0.6720 0.6735 1.4713 1.4721 1.7675 1.7765 2.0263 2.0480 2.0842 2.0845 2.4330 2.4349 2.4753 2.5023 2.5808 2.6124 3.0089 3.0227 3.0484 3.0655 3.3098 3.3162 3.6654 3.6677 3.8638 3.8774 3.8976 3.9528 3.9759 4.0129 4.0620 4.1161 4.1531 4.1616 4.2406 4.2443 4.3935 4.4083 4.6124 4.7139 4.7829 4.8014 5.0556 5.0683 5.2426 5.2919 5.3924 5.4035 5.7918 5.7971 5.9480 5.9520 7.7427 7.7520 7.7761 7.7813 8.1306 8.1430 8.3582 8.3585 8.5213 8.5250 10.2952 10.2980 11.6909 11.6932 k = 0.1905 0.1905-0.0000 ( 5856 PWs) bands (ev): -58.0424 -58.0424 -32.4919 -32.4919 -31.6693 -31.6693 -31.6692 -31.6692 -7.3498 -7.3497 -6.3457 -6.3439 -6.3274 -6.3256 -6.2442 -6.2436 0.6061 0.6089 0.6481 0.6497 1.4500 1.4506 1.7927 1.8016 2.0236 2.0447 2.0779 2.0786 2.4543 2.4570 2.4938 2.5203 2.5887 2.6192 3.0397 3.0541 3.0671 3.0826 3.3242 3.3300 3.6567 3.6571 3.8552 3.8780 3.8794 3.9465 3.9693 4.0204 4.0622 4.1129 4.1554 4.1665 4.2333 4.2382 4.3769 4.3917 4.6342 4.7280 4.7910 4.8126 5.0593 5.0708 5.2136 5.2605 5.4276 5.4373 5.8017 5.8075 5.9431 5.9467 7.7417 7.7495 7.7654 7.7701 8.1314 8.1424 8.3669 8.3675 8.5115 8.5149 10.2136 10.2164 11.6692 11.6706 k = 0.1786 0.1786-0.0000 ( 5862 PWs) bands (ev): -58.0424 -58.0424 -32.4919 -32.4919 -31.6693 -31.6693 -31.6691 -31.6691 -7.3675 -7.3674 -6.3348 -6.3330 -6.3180 -6.3163 -6.2431 -6.2425 0.5866 0.5892 0.6249 0.6264 1.4295 1.4300 1.8169 1.8256 2.0209 2.0414 2.0716 2.0728 2.4752 2.4786 2.5121 2.5377 2.5964 2.6258 3.0691 3.0851 3.0876 3.1004 3.3374 3.3426 3.6452 3.6482 3.8363 3.8578 3.8864 3.9430 3.9655 4.0278 4.0631 4.1083 4.1585 4.1714 4.2232 4.2375 4.3607 4.3752 4.6563 4.7418 4.8000 4.8245 5.0625 5.0723 5.1860 5.2299 5.4633 5.4716 5.8104 5.8167 5.9380 5.9410 7.7402 7.7464 7.7557 7.7598 8.1350 8.1444 8.3751 8.3758 8.5016 8.5048 10.1318 10.1344 11.6502 11.6509 k = 0.1667 0.1667-0.0000 ( 5858 PWs) bands (ev): -58.0424 -58.0424 -32.4919 -32.4919 -31.6693 -31.6693 -31.6691 -31.6691 -7.3843 -7.3843 -6.3241 -6.3225 -6.3090 -6.3074 -6.2423 -6.2417 0.5678 0.5702 0.6023 0.6038 1.4100 1.4104 1.8401 1.8485 2.0184 2.0382 2.0655 2.0671 2.4953 2.4996 2.5302 2.5543 2.6042 2.6320 3.0955 3.1116 3.1152 3.1191 3.3494 3.3540 3.6333 3.6387 3.8146 3.8344 3.8954 3.9410 3.9642 4.0348 4.0646 4.1026 4.1623 4.1760 4.2143 4.2383 4.3450 4.3593 4.6787 4.7552 4.8095 4.8370 5.0652 5.0724 5.1607 5.2007 5.4992 5.5062 5.8178 5.8245 5.9325 5.9348 7.7381 7.7424 7.7471 7.7503 8.1416 8.1495 8.3826 8.3834 8.4918 8.4948 10.0498 10.0523 11.6339 11.6340 k = 0.1548 0.1548-0.0000 ( 5860 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6693 -31.6693 -31.6691 -31.6691 -7.4002 -7.4001 -6.3139 -6.3123 -6.3004 -6.2988 -6.2416 -6.2410 0.5499 0.5521 0.5806 0.5820 1.3914 1.3917 1.8620 1.8701 2.0159 2.0349 2.0596 2.0616 2.5145 2.5196 2.5478 2.5701 2.6119 2.6378 3.1188 3.1375 3.1391 3.1457 3.3603 3.3643 3.6211 3.6287 3.7911 3.8097 3.9040 3.9398 3.9651 4.0410 4.0670 4.0961 4.1666 4.1800 4.2071 4.2404 4.3298 4.3441 4.7014 4.7683 4.8195 4.8500 5.0669 5.0698 5.1393 5.1736 5.5349 5.5406 5.8237 5.8308 5.9267 5.9284 7.7352 7.7365 7.7406 7.7418 8.1514 8.1577 8.3892 8.3900 8.4823 8.4850 9.9680 9.9703 11.6197 11.6203 k = 0.1429 0.1429-0.0000 ( 5862 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6692 -31.6692 -31.6691 -31.6691 -7.4151 -7.4150 -6.3041 -6.3027 -6.2921 -6.2907 -6.2411 -6.2405 0.5329 0.5349 0.5599 0.5613 1.3739 1.3741 1.8826 1.8903 2.0135 2.0316 2.0542 2.0564 2.5327 2.5385 2.5649 2.5849 2.6196 2.6432 3.1410 3.1574 3.1678 3.1745 3.3700 3.3734 3.6088 3.6183 3.7665 3.7842 3.9116 3.9391 3.9679 4.0461 4.0700 4.0893 4.1712 4.1826 4.2023 4.2432 4.3153 4.3297 4.7242 4.7812 4.8299 4.8632 5.0627 5.0669 5.1236 5.1494 5.5702 5.5747 5.8281 5.8354 5.9208 5.9217 7.7296 7.7314 7.7344 7.7353 8.1645 8.1694 8.3948 8.3956 8.4730 8.4756 9.8868 9.8887 11.6080 11.6092 k = 0.1310 0.1310-0.0000 ( 5856 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6692 -31.6692 -31.6691 -31.6691 -7.4289 -7.4289 -6.2949 -6.2935 -6.2844 -6.2830 -6.2407 -6.2402 0.5170 0.5188 0.5403 0.5416 1.3575 1.3576 1.9018 1.9091 2.0113 2.0284 2.0491 2.0516 2.5496 2.5561 2.5813 2.5986 2.6272 2.6483 3.1634 3.1778 3.1963 3.2025 3.3787 3.3816 3.5963 3.6075 3.7410 3.7580 3.9181 3.9386 3.9725 4.0500 4.0734 4.0826 4.1760 4.1829 4.2008 4.2466 4.3013 4.3165 4.7469 4.7938 4.8405 4.8764 5.0504 5.0636 5.1146 5.1298 5.6046 5.6081 5.8309 5.8383 5.9147 5.9151 7.7231 7.7258 7.7289 7.7302 8.1808 8.1844 8.3993 8.4000 8.4643 8.4666 9.8064 9.8081 11.5989 11.6006 k = 0.1190 0.1190-0.0000 ( 5850 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6692 -31.6692 -31.6691 -31.6691 -7.4417 -7.4417 -6.2862 -6.2850 -6.2771 -6.2758 -6.2404 -6.2399 0.5023 0.5039 0.5220 0.5232 1.3422 1.3424 1.9195 1.9263 2.0092 2.0251 2.0447 2.0472 2.5653 2.5721 2.5968 2.6113 2.6349 2.6529 3.1864 3.1989 3.2241 3.2295 3.3864 3.3888 3.5838 3.5962 3.7150 3.7315 3.9232 3.9383 3.9787 4.0529 4.0761 4.0764 4.1807 4.1818 4.2017 4.2504 4.2881 4.3047 4.7691 4.8060 4.8513 4.8896 5.0348 5.0553 5.1108 5.1170 5.6378 5.6404 5.8322 5.8394 5.9087 5.9088 7.7171 7.7197 7.7242 7.7249 8.2000 8.2025 8.4027 8.4033 8.4561 8.4583 9.7274 9.7289 11.5921 11.5941 k = 0.1071 0.1071-0.0000 ( 5858 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6692 -31.6692 -31.6691 -31.6691 -7.4533 -7.4533 -6.2782 -6.2771 -6.2704 -6.2691 -6.2403 -6.2398 0.4887 0.4901 0.5050 0.5062 1.3283 1.3284 1.9355 1.9418 2.0072 2.0218 2.0409 2.0434 2.5796 2.5863 2.6114 2.6229 2.6424 2.6572 3.2100 3.2206 3.2511 3.2553 3.3931 3.3951 3.5712 3.5846 3.6886 3.7045 3.9272 3.9381 3.9859 4.0552 4.0700 4.0784 4.1809 4.1852 4.2033 4.2543 4.2755 4.2946 4.7905 4.8176 4.8622 4.9025 5.0184 5.0419 5.1096 5.1109 5.6694 5.6712 5.8320 5.8388 5.9028 5.9033 7.7118 7.7141 7.7195 7.7195 8.2220 8.2236 8.4050 8.4055 8.4487 8.4507 9.6504 9.6515 11.5874 11.5898 k = 0.0952 0.0952-0.0000 ( 5858 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6691 -31.6691 -31.6691 -31.6691 -7.4638 -7.4638 -6.2710 -6.2700 -6.2642 -6.2631 -6.2402 -6.2397 0.4764 0.4776 0.4896 0.4906 1.3156 1.3157 1.9500 1.9557 2.0054 2.0185 2.0378 2.0400 2.5924 2.5986 2.6248 2.6336 2.6496 2.6611 3.2343 3.2429 3.2770 3.2799 3.3989 3.4005 3.5585 3.5726 3.6619 3.6772 3.9302 3.9379 3.9939 4.0569 4.0647 4.0792 4.1812 4.1894 4.2043 4.2580 4.2638 4.2864 4.8102 4.8285 4.8732 4.9147 5.0028 5.0262 5.1091 5.1098 5.6988 5.7000 5.8304 5.8367 5.8978 5.8983 7.7071 7.7091 7.7143 7.7146 8.2461 8.2471 8.4063 8.4067 8.4422 8.4440 9.5760 9.5768 11.5847 11.5872 k = 0.0833 0.0833-0.0000 ( 5873 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6691 -31.6691 -31.6691 -31.6691 -7.4732 -7.4732 -6.2645 -6.2637 -6.2586 -6.2576 -6.2401 -6.2396 0.4654 0.4664 0.4756 0.4766 1.3043 1.3044 1.9626 1.9677 2.0038 2.0153 2.0354 2.0373 2.6036 2.6089 2.6370 2.6434 2.6564 2.6647 3.2591 3.2658 3.3018 3.3033 3.4039 3.4051 3.5458 3.5602 3.6351 3.6497 3.9325 3.9378 4.0022 4.0582 4.0601 4.0786 4.1826 4.1931 4.2044 4.2525 4.2619 4.2804 4.8276 4.8382 4.8846 4.9261 4.9891 5.0105 5.1093 5.1105 5.7256 5.7262 5.8278 5.8332 5.8936 5.8942 7.7030 7.7048 7.7093 7.7099 8.2719 8.2723 8.4067 8.4070 8.4366 8.4382 9.5049 9.5056 11.5836 11.5862 k = 0.0714 0.0714-0.0000 ( 5871 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.4813 -7.4813 -6.2588 -6.2582 -6.2536 -6.2527 -6.2400 -6.2396 0.4558 0.4567 0.4634 0.4642 1.2945 1.2945 1.9734 1.9778 2.0025 2.0123 2.0337 2.0353 2.6133 2.6173 2.6478 2.6524 2.6626 2.6680 3.2845 3.2892 3.3254 3.3254 3.4081 3.4091 3.5331 3.5475 3.6083 3.6222 3.9343 3.9377 4.0106 4.0565 4.0590 4.0769 4.1849 4.1964 4.2037 4.2424 4.2652 4.2765 4.8416 4.8466 4.8967 4.9364 4.9777 4.9963 5.1105 5.1116 5.7492 5.7494 5.8244 5.8289 5.8906 5.8911 7.6996 7.7011 7.7046 7.7054 8.2984 8.2985 8.4065 8.4066 8.4320 8.4335 9.4383 9.4388 11.5839 11.5864 k = 0.0595 0.0595-0.0000 ( 5863 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.4882 -7.4882 -6.2541 -6.2537 -6.2493 -6.2485 -6.2399 -6.2395 0.4476 0.4483 0.4529 0.4536 1.2860 1.2860 1.9823 1.9859 2.0014 2.0095 2.0328 2.0339 2.6214 2.6241 2.6572 2.6604 2.6679 2.6709 3.3103 3.3131 3.3462 3.3477 3.4116 3.4123 3.5203 3.5344 3.5817 3.5946 3.9356 3.9376 4.0188 4.0538 4.0593 4.0744 4.1878 4.1990 4.2023 4.2331 4.2682 4.2745 4.8518 4.8535 4.9093 4.9452 4.9690 4.9841 5.1119 5.1128 5.7690 5.7691 5.8207 5.8243 5.8889 5.8891 7.6968 7.6980 7.7006 7.7014 8.3245 8.3246 8.4060 8.4061 8.4284 8.4297 9.3773 9.3776 11.5850 11.5874 k = 0.0476 0.0476-0.0000 ( 5871 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.4939 -7.4939 -6.2503 -6.2501 -6.2456 -6.2449 -6.2398 -6.2394 0.4408 0.4414 0.4443 0.4449 1.2790 1.2791 1.9893 1.9921 2.0006 2.0070 2.0326 2.0333 2.6278 2.6293 2.6650 2.6671 2.6723 2.6736 3.3363 3.3371 3.3656 3.3685 3.4144 3.4149 3.5077 3.5210 3.5553 3.5671 3.9365 3.9376 4.0267 4.0521 4.0590 4.0712 4.1908 4.2009 4.2009 4.2246 4.2706 4.2737 4.8584 4.8586 4.9219 4.9522 4.9628 4.9744 5.1134 5.1139 5.7847 5.7849 5.8171 5.8198 5.8883 5.8885 7.6945 7.6955 7.6971 7.6979 8.3485 8.3487 8.4060 8.4061 8.4257 8.4267 9.3234 9.3236 11.5878 11.5921 k = 0.0357 0.0357-0.0000 ( 5851 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.4984 -7.4984 -6.2475 -6.2474 -6.2427 -6.2421 -6.2395 -6.2392 0.4355 0.4360 0.4375 0.4380 1.2736 1.2736 1.9944 1.9964 2.0001 2.0048 2.0329 2.0332 2.6327 2.6334 2.6712 2.6726 2.6756 2.6759 3.3613 3.3623 3.3834 3.3875 3.4165 3.4169 3.4955 3.5076 3.5296 3.5401 3.9372 3.9377 4.0342 4.0513 4.0581 4.0676 4.1937 4.2000 4.2021 4.2173 4.2726 4.2739 4.8620 4.8621 4.9337 4.9572 4.9590 4.9672 5.1147 5.1149 5.7962 5.7965 5.8139 5.8158 5.8889 5.8889 7.6928 7.6936 7.6944 7.6950 8.3681 8.3682 8.4078 8.4078 8.4237 8.4245 9.2784 9.2784 11.5896 11.5926 k = 0.0238 0.0238-0.0000 ( 5835 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.5016 -7.5016 -6.2457 -6.2457 -6.2405 -6.2401 -6.2392 -6.2389 0.4318 0.4321 0.4327 0.4330 1.2698 1.2698 1.9978 1.9991 1.9999 2.0030 2.0334 2.0335 2.6360 2.6363 2.6757 2.6765 2.6778 2.6780 3.3849 3.3874 3.3993 3.4039 3.4180 3.4184 3.4844 3.4945 3.5051 3.5139 3.9376 3.9378 4.0412 4.0514 4.0567 4.0634 4.1964 4.2000 4.2027 4.2110 4.2740 4.2744 4.8639 4.8640 4.9438 4.9571 4.9597 4.9624 5.1157 5.1158 5.8039 5.8042 5.8114 5.8126 5.8900 5.8900 7.6917 7.6922 7.6924 7.6928 8.3801 8.3802 8.4127 8.4128 8.4224 8.4229 9.2441 9.2441 11.5903 11.5916 k = 0.0119 0.0119-0.0000 ( 5853 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.5035 -7.5035 -6.2448 -6.2448 -6.2391 -6.2390 -6.2388 -6.2387 0.4295 0.4297 0.4298 0.4299 1.2674 1.2674 1.9997 2.0001 2.0004 2.0016 2.0339 2.0339 2.6379 2.6379 2.6784 2.6788 2.6790 2.6792 3.4061 3.4092 3.4120 3.4157 3.4190 3.4194 3.4763 3.4828 3.4843 3.4903 3.9377 3.9378 4.0477 4.0522 4.0551 4.0587 4.1988 4.2008 4.2025 4.2058 4.2747 4.2748 4.8647 4.8648 4.9518 4.9566 4.9588 4.9600 5.1163 5.1163 5.8082 5.8083 5.8099 5.8105 5.8911 5.8911 7.6910 7.6912 7.6912 7.6914 8.3851 8.3851 8.4188 8.4189 8.4217 8.4219 9.2226 9.2226 11.5909 11.5931 k = 0.0000 0.0000 0.0000 ( 5887 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.5041 -7.5041 -6.2445 -6.2445 -6.2386 -6.2386 -6.2386 -6.2386 0.4289 0.4289 0.4289 0.4289 1.2665 1.2665 2.0006 2.0006 2.0006 2.0006 2.0340 2.0340 2.6385 2.6385 2.6795 2.6795 2.6795 2.6795 3.4179 3.4179 3.4179 3.4179 3.4205 3.4205 3.4758 3.4758 3.4758 3.4758 3.9377 3.9377 4.0534 4.0534 4.0534 4.0534 4.2018 4.2018 4.2018 4.2018 4.2748 4.2748 4.8649 4.8649 4.9571 4.9571 4.9571 4.9571 5.1164 5.1164 5.8096 5.8096 5.8096 5.8096 5.8915 5.8915 7.6908 7.6908 7.6908 7.6908 8.3862 8.3862 8.4215 8.4215 8.4215 8.4215 9.2152 9.2152 11.5907 11.5907 k = 0.0000 0.0000 0.0000 ( 5887 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.5041 -7.5041 -6.2445 -6.2445 -6.2386 -6.2386 -6.2386 -6.2386 0.4289 0.4289 0.4289 0.4289 1.2665 1.2665 2.0006 2.0006 2.0006 2.0006 2.0340 2.0340 2.6385 2.6385 2.6795 2.6795 2.6795 2.6795 3.4179 3.4179 3.4179 3.4179 3.4205 3.4205 3.4758 3.4758 3.4758 3.4758 3.9377 3.9377 4.0534 4.0534 4.0534 4.0534 4.2018 4.2018 4.2018 4.2018 4.2748 4.2748 4.8649 4.8649 4.9571 4.9571 4.9571 4.9571 5.1164 5.1164 5.8096 5.8096 5.8096 5.8096 5.8915 5.8915 7.6908 7.6908 7.6908 7.6908 8.3862 8.3862 8.4215 8.4215 8.4215 8.4215 9.2152 9.2152 11.5907 11.5907 k = 0.0098 0.0098 0.0098 ( 5857 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.5035 -7.5035 -6.2448 -6.2448 -6.2391 -6.2389 -6.2389 -6.2388 0.4296 0.4297 0.4297 0.4299 1.2674 1.2674 1.9999 2.0001 2.0001 2.0017 2.0339 2.0339 2.6379 2.6379 2.6785 2.6789 2.6789 2.6790 3.4076 3.4114 3.4114 3.4128 3.4184 3.4184 3.4789 3.4835 3.4835 3.4890 3.9377 3.9377 4.0474 4.0536 4.0536 4.0589 4.1988 4.2016 4.2016 4.2060 4.2747 4.2747 4.8647 4.8647 4.9514 4.9579 4.9579 4.9600 5.1163 5.1163 5.8082 5.8082 5.8100 5.8106 5.8911 5.8911 7.6910 7.6912 7.6912 7.6914 8.3850 8.3850 8.4187 8.4187 8.4217 8.4220 9.2227 9.2227 11.5914 11.5940 k = 0.0196 0.0196 0.0196 ( 5833 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.5015 -7.5015 -6.2456 -6.2456 -6.2401 -6.2396 -6.2396 -6.2396 0.4322 0.4324 0.4324 0.4327 1.2698 1.2698 1.9986 1.9986 1.9996 2.0031 2.0335 2.0335 2.6361 2.6361 2.6760 2.6771 2.6773 2.6773 3.3906 3.3953 3.3953 3.3959 3.4146 3.4146 3.4941 3.5001 3.5001 3.5093 3.9377 3.9377 4.0407 4.0543 4.0543 4.0636 4.1971 4.2009 4.2009 4.2112 4.2742 4.2742 4.8639 4.8639 4.9428 4.9599 4.9602 4.9602 5.1158 5.1158 5.8036 5.8036 5.8117 5.8129 5.8901 5.8901 7.6919 7.6923 7.6923 7.6926 8.3798 8.3798 8.4126 8.4126 8.4226 8.4232 9.2446 9.2446 11.5933 11.5948 k = 0.0294 0.0294 0.0294 ( 5851 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.4983 -7.4983 -6.2471 -6.2471 -6.2419 -6.2410 -6.2409 -6.2409 0.4365 0.4369 0.4369 0.4373 1.2738 1.2738 1.9957 1.9957 1.9995 2.0049 2.0330 2.0330 2.6330 2.6330 2.6719 2.6735 2.6746 2.6746 3.3717 3.3750 3.3761 3.3761 3.4084 3.4084 3.5137 3.5195 3.5195 3.5318 3.9375 3.9375 4.0334 4.0551 4.0551 4.0673 4.1968 4.1998 4.1998 4.2173 4.2732 4.2732 4.8618 4.8618 4.9315 4.9569 4.9645 4.9645 5.1148 5.1148 5.7952 5.7952 5.8145 5.8165 5.8891 5.8891 7.6934 7.6940 7.6940 7.6945 8.3669 8.3669 8.4082 8.4082 8.4242 8.4250 9.2793 9.2793 11.5955 11.5957 k = 0.0392 0.0392 0.0392 ( 5851 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.4938 -7.4938 -6.2491 -6.2491 -6.2442 -6.2431 -6.2426 -6.2426 0.4426 0.4430 0.4430 0.4436 1.2793 1.2793 1.9912 1.9912 1.9999 2.0069 2.0327 2.0327 2.6288 2.6288 2.6664 2.6685 2.6709 2.6709 3.3524 3.3532 3.3561 3.3561 3.3998 3.3998 3.5350 3.5401 3.5401 3.5552 3.9372 3.9372 4.0256 4.0563 4.0563 4.0700 4.1979 4.1982 4.1982 4.2244 4.2719 4.2719 4.8580 4.8580 4.9178 4.9514 4.9716 4.9716 5.1137 5.1137 5.7824 5.7824 5.8183 5.8212 5.8889 5.8889 7.6956 7.6965 7.6965 7.6971 8.3460 8.3460 8.4075 8.4075 8.4264 8.4275 9.3248 9.3248 11.5989 11.5993 k = 0.0490 0.0490 0.0490 ( 5857 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.4880 -7.4880 -6.2517 -6.2517 -6.2471 -6.2457 -6.2448 -6.2448 0.4504 0.4509 0.4509 0.4516 1.2863 1.2863 1.9850 1.9850 2.0005 2.0093 2.0328 2.0328 2.6232 2.6232 2.6594 2.6620 2.6661 2.6661 3.3311 3.3330 3.3358 3.3358 3.3889 3.3889 3.5571 3.5610 3.5610 3.5790 3.9367 3.9367 4.0175 4.0578 4.0578 4.0717 4.1962 4.1962 4.2005 4.2321 4.2706 4.2706 4.8522 4.8522 4.9021 4.9437 4.9817 4.9817 5.1125 5.1125 5.7646 5.7646 5.8229 5.8268 5.8900 5.8900 7.6985 7.6997 7.6997 7.7004 8.3203 8.3203 8.4091 8.4091 8.4292 8.4305 9.3790 9.3790 11.6034 11.6034 k = 0.0588 0.0588 0.0588 ( 5860 PWs) bands (ev): -58.0424 -58.0424 -32.4917 -32.4917 -31.6691 -31.6691 -31.6691 -31.6691 -7.4809 -7.4809 -6.2549 -6.2549 -6.2506 -6.2490 -6.2474 -6.2474 0.4599 0.4604 0.4604 0.4613 1.2948 1.2948 1.9769 1.9769 2.0015 2.0121 2.0335 2.0335 2.6164 2.6164 2.6510 2.6540 2.6604 2.6604 3.3092 3.3139 3.3156 3.3156 3.3755 3.3755 3.5796 3.5820 3.5820 3.6028 3.9362 3.9362 4.0089 4.0593 4.0593 4.0725 4.1938 4.1938 4.2046 4.2405 4.2694 4.2694 4.8442 4.8442 4.8847 4.9341 4.9949 4.9949 5.1115 5.1115 5.7421 5.7421 5.8281 5.8330 5.8923 5.8923 7.7022 7.7036 7.7036 7.7044 8.2923 8.2923 8.4120 8.4120 8.4325 8.4340 9.4399 9.4399 11.6095 11.6096 k = 0.0686 0.0686 0.0686 ( 5872 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6691 -31.6691 -31.6691 -31.6691 -7.4726 -7.4726 -6.2587 -6.2587 -6.2547 -6.2528 -6.2503 -6.2503 0.4709 0.4715 0.4715 0.4726 1.3048 1.3048 1.9669 1.9669 2.0028 2.0151 2.0348 2.0348 2.6083 2.6083 2.6411 2.6444 2.6539 2.6539 3.2876 3.2952 3.2956 3.2956 3.3598 3.3598 3.6025 3.6029 3.6029 3.6266 3.9355 3.9355 3.9999 4.0610 4.0610 4.0723 4.1911 4.1911 4.2100 4.2495 4.2684 4.2684 4.8344 4.8344 4.8662 4.9230 5.0106 5.0106 5.1110 5.1110 5.7152 5.7152 5.8335 5.8396 5.8955 5.8955 7.7065 7.7081 7.7081 7.7090 8.2637 8.2637 8.4158 8.4158 8.4363 8.4379 9.5059 9.5059 11.6174 11.6174 k = 0.0784 0.0784 0.0784 ( 5872 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6691 -31.6691 -31.6691 -31.6691 -7.4631 -7.4631 -6.2630 -6.2630 -6.2593 -6.2571 -6.2537 -6.2537 0.4834 0.4841 0.4841 0.4854 1.3161 1.3161 1.9551 1.9551 2.0045 2.0184 2.0366 2.0366 2.5989 2.5989 2.6299 2.6335 2.6466 2.6466 3.2665 3.2760 3.2760 3.2769 3.3419 3.3419 3.6236 3.6236 3.6256 3.6501 3.9347 3.9347 3.9907 4.0626 4.0626 4.0713 4.1882 4.1882 4.2165 4.2590 4.2678 4.2678 4.8234 4.8234 4.8470 4.9109 5.0280 5.0280 5.1118 5.1118 5.6843 5.6843 5.8390 5.8464 5.8993 5.8993 7.7116 7.7134 7.7134 7.7144 8.2355 8.2355 8.4202 8.4202 8.4405 8.4423 9.5756 9.5756 11.6275 11.6275 k = 0.0882 0.0882 0.0882 ( 5872 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6691 -31.6691 -31.6691 -31.6691 -7.4524 -7.4524 -6.2680 -6.2680 -6.2644 -6.2620 -6.2574 -6.2574 0.4974 0.4981 0.4981 0.4997 1.3287 1.3287 1.9416 1.9416 2.0065 2.0219 2.0388 2.0388 2.5882 2.5882 2.6173 2.6211 2.6385 2.6385 3.2460 3.2569 3.2569 3.2590 3.3217 3.3217 3.6440 3.6440 3.6488 3.6734 3.9337 3.9337 3.9811 4.0639 4.0639 4.0697 4.1852 4.1852 4.2242 4.2678 4.2678 4.2690 4.8114 4.8114 4.8275 4.8982 5.0449 5.0449 5.1155 5.1155 5.6500 5.6500 5.8444 5.8532 5.9035 5.9035 7.7173 7.7194 7.7194 7.7204 8.2085 8.2085 8.4250 8.4250 8.4450 8.4469 9.6477 9.6477 11.6401 11.6401 k = 0.0980 0.0980 0.0980 ( 5860 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6691 -31.6691 -31.6691 -31.6691 -7.4405 -7.4405 -6.2734 -6.2734 -6.2700 -6.2674 -6.2615 -6.2615 0.5128 0.5135 0.5135 0.5153 1.3425 1.3425 1.9264 1.9264 2.0087 2.0258 2.0414 2.0414 2.5763 2.5763 2.6035 2.6075 2.6299 2.6299 3.2260 3.2382 3.2382 3.2416 3.2994 3.2994 3.6639 3.6639 3.6721 3.6963 3.9327 3.9327 3.9714 4.0650 4.0650 4.0677 4.1822 4.1822 4.2326 4.2685 4.2685 4.2793 4.7990 4.7990 4.8082 4.8853 5.0583 5.0583 5.1252 5.1252 5.6127 5.6127 5.8495 5.8597 5.9077 5.9077 7.7238 7.7260 7.7260 7.7271 8.1833 8.1833 8.4303 8.4303 8.4498 8.4517 9.7211 9.7211 11.6555 11.6555 k = 0.1078 0.1078 0.1078 ( 5866 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6692 -31.6692 -31.6692 -31.6692 -7.4274 -7.4274 -6.2793 -6.2793 -6.2761 -6.2733 -6.2659 -6.2659 0.5293 0.5300 0.5300 0.5321 1.3574 1.3574 1.9096 1.9096 2.0113 2.0299 2.0444 2.0444 2.5631 2.5631 2.5885 2.5924 2.6207 2.6207 3.2067 3.2200 3.2200 3.2248 3.2750 3.2750 3.6833 3.6833 3.6953 3.7186 3.9314 3.9314 3.9614 4.0653 4.0654 4.0654 4.1794 4.1794 4.2416 4.2700 4.2700 4.2899 4.7865 4.7865 4.7894 4.8725 5.0655 5.0655 5.1430 5.1430 5.5728 5.5728 5.8542 5.8658 5.9119 5.9119 7.7310 7.7333 7.7333 7.7345 8.1602 8.1602 8.4359 8.4359 8.4547 8.4567 9.7948 9.7948 11.6735 11.6735 k = 0.1176 0.1176 0.1176 ( 5872 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6692 -31.6692 -31.6692 -31.6692 -7.4132 -7.4132 -6.2857 -6.2857 -6.2827 -6.2797 -6.2707 -6.2707 0.5469 0.5477 0.5477 0.5500 1.3733 1.3733 1.8913 1.8913 2.0141 2.0342 2.0477 2.0477 2.5488 2.5488 2.5725 2.5763 2.6110 2.6110 3.1881 3.2024 3.2024 3.2084 3.2489 3.2489 3.7019 3.7019 3.7184 3.7402 3.9301 3.9301 3.9512 4.0627 4.0654 4.0654 4.1767 4.1767 4.2510 4.2724 4.2724 4.3005 4.7716 4.7745 4.7745 4.8602 5.0673 5.0673 5.1679 5.1679 5.5309 5.5309 5.8584 5.8715 5.9157 5.9157 7.7388 7.7413 7.7413 7.7425 8.1395 8.1395 8.4417 8.4417 8.4599 8.4618 9.8679 9.8679 11.6909 11.6911 k = 0.1275 0.1275 0.1275 ( 5860 PWs) bands (ev): -58.0424 -58.0424 -32.4918 -32.4918 -31.6692 -31.6692 -31.6692 -31.6692 -7.3980 -7.3980 -6.2925 -6.2925 -6.2896 -6.2864 -6.2757 -6.2757 0.5656 0.5663 0.5663 0.5690 1.3900 1.3900 1.8717 1.8717 2.0173 2.0387 2.0513 2.0513 2.5335 2.5335 2.5555 2.5591 2.6009 2.6009 3.1702 3.1854 3.1854 3.1925 3.2211 3.2211 3.7198 3.7198 3.7414 3.7611 3.9287 3.9287 3.9411 4.0602 4.0647 4.0647 4.1742 4.1742 4.2606 4.2758 4.2758 4.3113 4.7551 4.7631 4.7631 4.8489 5.0659 5.0659 5.1976 5.1976 5.4873 5.4873 5.8622 5.8766 5.9193 5.9193 7.7474 7.7498 7.7498 7.7511 8.1214 8.1214 8.4477 8.4477 8.4652 8.4671 9.9395 9.9395 11.7073 11.7074 k = 0.1373 0.1373 0.1373 ( 5854 PWs) bands (ev): -58.0424 -58.0424 -32.4919 -32.4919 -31.6692 -31.6692 -31.6692 -31.6692 -7.3817 -7.3817 -6.2997 -6.2997 -6.2969 -6.2935 -6.2810 -6.2810 0.5850 0.5858 0.5858 0.5888 1.4072 1.4072 1.8508 1.8508 2.0206 2.0434 2.0552 2.0552 2.5174 2.5174 2.5378 2.5411 2.5905 2.5905 3.1529 3.1688 3.1688 3.1771 3.1918 3.1918 3.7369 3.7369 3.7641 3.7810 3.9272 3.9272 3.9309 4.0579 4.0634 4.0634 4.1721 4.1721 4.2701 4.2802 4.2802 4.3219 4.7403 4.7527 4.7527 4.8385 5.0625 5.0625 5.2304 5.2304 5.4425 5.4425 5.8655 5.8811 5.9224 5.9224 7.7565 7.7590 7.7590 7.7604 8.1061 8.1061 8.4539 8.4539 8.4706 8.4724 10.0090 10.0090 11.7241 11.7247 k = 0.1471 0.1471 0.1471 ( 5854 PWs) bands (ev): -58.0424 -58.0424 -32.4919 -32.4919 -31.6692 -31.6692 -31.6692 -31.6692 -7.3644 -7.3644 -6.3072 -6.3072 -6.3046 -6.3010 -6.2866 -6.2866 0.6052 0.6059 0.6059 0.6092 1.4249 1.4249 1.8289 1.8289 2.0242 2.0482 2.0592 2.0592 2.5005 2.5005 2.5194 2.5223 2.5798 2.5798 3.1364 3.1521 3.1521 3.1620 3.1620 3.1621 3.7528 3.7528 3.7864 3.7998 3.9208 3.9256 3.9256 4.0559 4.0617 4.0617 4.1702 4.1702 4.2794 4.2857 4.2857 4.3324 4.7274 4.7434 4.7434 4.8295 5.0577 5.0577 5.2654 5.2654 5.3969 5.3969 5.8683 5.8851 5.9252 5.9252 7.7663 7.7687 7.7687 7.7702 8.0936 8.0936 8.4602 8.4602 8.4761 8.4777 10.0756 10.0756 11.7415 11.7422 k = 0.1569 0.1569 0.1569 ( 5857 PWs) bands (ev): -58.0424 -58.0424 -32.4919 -32.4919 -31.6693 -31.6693 -31.6693 -31.6693 -7.3461 -7.3461 -6.3151 -6.3151 -6.3125 -6.3088 -6.2924 -6.2924 0.6258 0.6265 0.6265 0.6302 1.4426 1.4426 1.8061 1.8061 2.0279 2.0531 2.0634 2.0634 2.4830 2.4830 2.5006 2.5030 2.5688 2.5688 3.1204 3.1275 3.1275 3.1397 3.1397 3.1475 3.7676 3.7676 3.8082 3.8173 3.9110 3.9240 3.9240 4.0545 4.0597 4.0597 4.1685 4.1685 4.2883 4.2920 4.2920 4.3426 4.7167 4.7354 4.7354 4.8219 5.0517 5.0517 5.3010 5.3010 5.3521 5.3521 5.8707 5.8885 5.9277 5.9277 7.7766 7.7789 7.7789 7.7805 8.0841 8.0841 8.4668 8.4668 8.4818 8.4832 10.1388 10.1388 11.7594 11.7619 k = 0.1667 0.1667 0.1667 ( 5845 PWs) bands (ev): -58.0424 -58.0424 -32.4919 -32.4919 -31.6693 -31.6693 -31.6693 -31.6693 -7.3270 -7.3270 -6.3232 -6.3232 -6.3207 -6.3169 -6.2985 -6.2985 0.6468 0.6475 0.6475 0.6515 1.4600 1.4600 1.7830 1.7830 2.0318 2.0581 2.0677 2.0677 2.4653 2.4653 2.4816 2.4834 2.5577 2.5577 3.0955 3.0955 3.1051 3.1244 3.1244 3.1333 3.7810 3.7810 3.8293 3.8334 3.9017 3.9225 3.9225 4.0538 4.0576 4.0576 4.1670 4.1670 4.2966 4.2991 4.2991 4.3524 4.7083 4.7288 4.7288 4.8160 5.0446 5.0446 5.2994 5.2994 5.3460 5.3460 5.8729 5.8916 5.9300 5.9300 7.7874 7.7896 7.7896 7.7913 8.0775 8.0775 8.4735 8.4735 8.4876 8.4887 10.1980 10.1980 11.7775 11.7782 k = 0.1765 0.1765 0.1765 ( 5857 PWs) bands (ev): -58.0424 -58.0424 -32.4919 -32.4919 -31.6693 -31.6693 -31.6693 -31.6693 -7.3069 -7.3069 -6.3316 -6.3316 -6.3292 -6.3252 -6.3047 -6.3047 0.6679 0.6686 0.6686 0.6731 1.4764 1.4764 1.7598 1.7598 2.0359 2.0631 2.0721 2.0721 2.4474 2.4474 2.4625 2.4637 2.5463 2.5463 3.0625 3.0625 3.0904 3.1102 3.1102 3.1195 3.7929 3.7929 3.8479 3.8491 3.8935 3.9211 3.9211 4.0540 4.0555 4.0555 4.1656 4.1656 4.3040 4.3069 4.3069 4.3616 4.7023 4.7235 4.7235 4.8116 5.0362 5.0362 5.2549 5.2549 5.3844 5.3844 5.8750 5.8944 5.9322 5.9322 7.7987 7.8007 7.8007 7.8025 8.0739 8.0739 8.4804 8.4804 8.4936 8.4944 10.2531 10.2531 11.7960 11.7977 k = 0.1863 0.1863 0.1863 ( 5869 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6693 -31.6693 -31.6693 -31.6693 -7.2861 -7.2861 -6.3402 -6.3402 -6.3378 -6.3338 -6.3112 -6.3112 0.6891 0.6897 0.6897 0.6946 1.4908 1.4908 1.7375 1.7375 2.0400 2.0681 2.0765 2.0765 2.4297 2.4297 2.4437 2.4442 2.5348 2.5348 3.0290 3.0290 3.0762 3.0967 3.0967 3.1061 3.8032 3.8032 3.8607 3.8650 3.8889 3.9200 3.9200 4.0537 4.0537 4.0553 4.1643 4.1643 4.3105 4.3151 4.3151 4.3702 4.6988 4.7196 4.7196 4.8090 5.0265 5.0265 5.2094 5.2094 5.4256 5.4256 5.8771 5.8971 5.9346 5.9346 7.8103 7.8121 7.8121 7.8140 8.0732 8.0732 8.4876 8.4876 8.4998 8.5003 10.3038 10.3038 11.8140 11.8144 k = 0.1961 0.1961 0.1961 ( 5866 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6694 -31.6694 -31.6694 -31.6694 -7.2645 -7.2645 -6.3490 -6.3490 -6.3466 -6.3425 -6.3178 -6.3178 0.7100 0.7106 0.7106 0.7159 1.5021 1.5021 1.7172 1.7172 2.0442 2.0730 2.0809 2.0809 2.4124 2.4124 2.4251 2.4253 2.5234 2.5234 2.9955 2.9955 3.0625 3.0837 3.0837 3.0929 3.8117 3.8117 3.8677 3.8718 3.8974 3.9195 3.9195 4.0522 4.0522 4.0577 4.1631 4.1631 4.3161 4.3237 4.3237 4.3782 4.6977 4.7170 4.7170 4.8080 5.0153 5.0153 5.1649 5.1649 5.4682 5.4682 5.8796 5.9000 5.9371 5.9371 7.8223 7.8238 7.8238 7.8258 8.0755 8.0755 8.4950 8.4950 8.5063 8.5063 10.3500 10.3500 11.8316 11.8317 k = 0.2059 0.2059 0.2059 ( 5878 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6694 -31.6694 -31.6694 -31.6694 -7.2423 -7.2423 -6.3578 -6.3578 -6.3555 -6.3513 -6.3245 -6.3245 0.7305 0.7310 0.7310 0.7368 1.5083 1.5083 1.7008 1.7008 2.0484 2.0778 2.0852 2.0852 2.3958 2.3958 2.4068 2.4077 2.5119 2.5119 2.9624 2.9624 3.0494 3.0712 3.0712 3.0801 3.8184 3.8184 3.8622 3.8813 3.9139 3.9195 3.9195 4.0511 4.0511 4.0612 4.1619 4.1619 4.3205 4.3324 4.3324 4.3855 4.6986 4.7153 4.7153 4.8084 5.0018 5.0018 5.1225 5.1225 5.5117 5.5117 5.8825 5.9031 5.9402 5.9402 7.8345 7.8357 7.8357 7.8378 8.0806 8.0806 8.5028 8.5028 8.5127 8.5131 10.3918 10.3918 11.8482 11.8486 k = 0.2157 0.2157 0.2157 ( 5872 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6694 -31.6694 -31.6694 -31.6694 -7.2194 -7.2194 -6.3668 -6.3668 -6.3645 -6.3603 -6.3314 -6.3314 0.7503 0.7508 0.7508 0.7570 1.5072 1.5072 1.6902 1.6902 2.0528 2.0825 2.0895 2.0895 2.3802 2.3802 2.3894 2.3910 2.5004 2.5004 2.9300 2.9300 3.0367 3.0591 3.0591 3.0676 3.8233 3.8233 3.8558 3.8893 3.9203 3.9203 3.9313 4.0505 4.0505 4.0658 4.1608 4.1608 4.3240 4.3411 4.3411 4.3920 4.7016 4.7145 4.7145 4.8101 4.9851 4.9851 5.0835 5.0835 5.5561 5.5561 5.8863 5.9069 5.9440 5.9440 7.8468 7.8477 7.8477 7.8499 8.0885 8.0885 8.5109 8.5109 8.5194 8.5203 10.4293 10.4293 11.8636 11.8640 k = 0.2255 0.2255 0.2255 ( 5866 PWs) bands (ev): -58.0424 -58.0424 -32.4921 -32.4921 -31.6694 -31.6694 -31.6694 -31.6694 -7.1959 -7.1959 -6.3758 -6.3758 -6.3735 -6.3692 -6.3384 -6.3384 0.7694 0.7698 0.7698 0.7765 1.4976 1.4976 1.6866 1.6866 2.0571 2.0870 2.0937 2.0937 2.3657 2.3657 2.3733 2.3754 2.4890 2.4890 2.8986 2.8986 3.0244 3.0475 3.0475 3.0553 3.8265 3.8265 3.8496 3.8960 3.9218 3.9218 3.9484 4.0502 4.0502 4.0712 4.1599 4.1599 4.3266 4.3496 4.3496 4.3977 4.7060 4.7140 4.7140 4.8129 4.9641 4.9641 5.0496 5.0496 5.6011 5.6011 5.8911 5.9115 5.9487 5.9487 7.8593 7.8598 7.8598 7.8620 8.0991 8.0991 8.5195 8.5195 8.5265 8.5279 10.4628 10.4628 11.8764 11.8767 k = 0.2353 0.2353 0.2353 ( 5872 PWs) bands (ev): -58.0424 -58.0424 -32.4921 -32.4921 -31.6695 -31.6695 -31.6695 -31.6695 -7.1719 -7.1719 -6.3849 -6.3849 -6.3825 -6.3783 -6.3455 -6.3455 0.7874 0.7877 0.7877 0.7949 1.4802 1.4802 1.6892 1.6892 2.0613 2.0913 2.0976 2.0976 2.3527 2.3527 2.3586 2.3612 2.4778 2.4778 2.8686 2.8686 3.0126 3.0363 3.0363 3.0433 3.8281 3.8281 3.8440 3.9017 3.9240 3.9240 3.9647 4.0503 4.0503 4.0772 4.1589 4.1589 4.3284 4.3577 4.3577 4.4027 4.7115 4.7132 4.7132 4.8164 4.9383 4.9383 5.0217 5.0217 5.6466 5.6466 5.8973 5.9172 5.9547 5.9547 7.8717 7.8719 7.8719 7.8742 8.1123 8.1123 8.5285 8.5285 8.5340 8.5360 10.4925 10.4925 11.8865 11.8876 k = 0.2451 0.2451 0.2451 ( 5866 PWs) bands (ev): -58.0423 -58.0423 -32.4921 -32.4921 -31.6695 -31.6695 -31.6695 -31.6695 -7.1475 -7.1475 -6.3939 -6.3939 -6.3915 -6.3873 -6.3526 -6.3526 0.8043 0.8044 0.8044 0.8122 1.4568 1.4568 1.6958 1.6958 2.0656 2.0954 2.1014 2.1014 2.3412 2.3412 2.3455 2.3486 2.4667 2.4667 2.8404 2.8404 3.0012 3.0255 3.0255 3.0315 3.8286 3.8286 3.8393 3.9067 3.9268 3.9268 3.9802 4.0507 4.0507 4.0836 4.1581 4.1581 4.3296 4.3655 4.3655 4.4071 4.7112 4.7112 4.7177 4.8204 4.9093 4.9093 4.9990 4.9990 5.6925 5.6925 5.9050 5.9244 5.9622 5.9622 7.8839 7.8839 7.8840 7.8862 8.1280 8.1280 8.5380 8.5380 8.5421 8.5447 10.5187 10.5187 11.8927 11.8929 k = 0.2549 0.2549 0.2549 ( 5869 PWs) bands (ev): -58.0423 -58.0423 -32.4921 -32.4921 -31.6695 -31.6695 -31.6695 -31.6695 -7.1228 -7.1228 -6.4029 -6.4029 -6.4005 -6.3962 -6.3598 -6.3598 0.8198 0.8198 0.8198 0.8280 1.4293 1.4293 1.7046 1.7046 2.0699 2.0993 2.1051 2.1051 2.3314 2.3314 2.3342 2.3376 2.4558 2.4558 2.8143 2.8143 2.9901 3.0150 3.0150 3.0200 3.8282 3.8282 3.8353 3.9112 3.9300 3.9300 3.9949 4.0513 4.0513 4.0901 4.1573 4.1573 4.3304 4.3728 4.3728 4.4108 4.7070 4.7070 4.7240 4.8243 4.8801 4.8801 4.9795 4.9795 5.7385 5.7385 5.9146 5.9333 5.9715 5.9715 7.8958 7.8958 7.8962 7.8980 8.1460 8.1460 8.5480 8.5480 8.5506 8.5539 10.5417 10.5417 11.8940 11.8956 k = 0.2647 0.2647 0.2647 ( 5869 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6696 -31.6696 -31.6696 -31.6696 -7.0978 -7.0978 -6.4118 -6.4118 -6.4094 -6.4051 -6.3671 -6.3671 0.8337 0.8337 0.8338 0.8423 1.3991 1.3991 1.7137 1.7137 2.0743 2.1031 2.1088 2.1088 2.3234 2.3234 2.3248 2.3283 2.4451 2.4451 2.7908 2.7908 2.9795 3.0048 3.0048 3.0087 3.8272 3.8272 3.8323 3.9156 3.9334 3.9334 4.0087 4.0519 4.0519 4.0965 4.1566 4.1566 4.3307 4.3795 4.3795 4.4139 4.6990 4.6990 4.7300 4.8279 4.8537 4.8537 4.9616 4.9616 5.7846 5.7846 5.9263 5.9441 5.9828 5.9828 7.9075 7.9075 7.9082 7.9097 8.1663 8.1663 8.5584 8.5584 8.5597 8.5636 10.5619 10.5619 11.8893 11.8910 k = 0.2745 0.2745 0.2745 ( 5857 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6696 -31.6696 -31.6696 -31.6696 -7.0726 -7.0726 -6.4206 -6.4206 -6.4181 -6.4139 -6.3744 -6.3744 0.8459 0.8459 0.8462 0.8550 1.3672 1.3672 1.7223 1.7223 2.0788 2.1070 2.1125 2.1125 2.3171 2.3171 2.3172 2.3208 2.4347 2.4347 2.7701 2.7701 2.9692 2.9951 2.9951 2.9978 3.8258 3.8258 3.8302 3.9200 3.9371 3.9371 4.0217 4.0526 4.0526 4.1027 4.1559 4.1559 4.3310 4.3859 4.3859 4.4166 4.6860 4.6860 4.7354 4.8309 4.8323 4.8323 4.9443 4.9443 5.8305 5.8305 5.9404 5.9571 5.9964 5.9964 7.9190 7.9190 7.9199 7.9210 8.1887 8.1887 8.5694 8.5694 8.5694 8.5739 10.5795 10.5795 11.8775 11.8778 k = 0.2843 0.2843 0.2843 ( 5860 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6696 -31.6696 -31.6696 -31.6696 -7.0473 -7.0473 -6.4292 -6.4292 -6.4267 -6.4225 -6.3817 -6.3817 0.8564 0.8564 0.8569 0.8660 1.3342 1.3342 1.7296 1.7296 2.0836 2.1110 2.1165 2.1165 2.3113 2.3125 2.3125 2.3150 2.4247 2.4247 2.7526 2.7526 2.9593 2.9856 2.9856 2.9871 3.8243 3.8243 3.8290 3.9245 3.9408 3.9408 4.0338 4.0532 4.0532 4.1085 4.1552 4.1552 4.3312 4.3916 4.3916 4.4189 4.6677 4.6677 4.7398 4.8165 4.8165 4.8328 4.9271 4.9271 5.8760 5.8760 5.9569 5.9725 6.0124 6.0124 7.9302 7.9302 7.9314 7.9321 8.2129 8.2129 8.5795 8.5808 8.5808 8.5847 10.5948 10.5948 11.8576 11.8578 k = 0.2941 0.2941 0.2941 ( 5863 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6696 -31.6696 -31.6696 -31.6696 -7.0219 -7.0219 -6.4376 -6.4376 -6.4350 -6.4310 -6.3890 -6.3890 0.8652 0.8652 0.8658 0.8751 1.3007 1.3007 1.7350 1.7350 2.0887 2.1154 2.1207 2.1207 2.3070 2.3094 2.3094 2.3108 2.4150 2.4150 2.7384 2.7384 2.9498 2.9765 2.9765 2.9767 3.8227 3.8227 3.8288 3.9293 3.9446 3.9446 4.0450 4.0536 4.0536 4.1137 4.1543 4.1543 4.3314 4.3969 4.3969 4.4207 4.6453 4.6453 4.7428 4.8053 4.8053 4.8333 4.9098 4.9098 5.9208 5.9208 5.9759 5.9904 6.0312 6.0312 7.9412 7.9412 7.9425 7.9429 8.2389 8.2389 8.5902 8.5926 8.5926 8.5959 10.6082 10.6082 11.8287 11.8304 k = 0.3039 0.3039 0.3039 ( 5857 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6697 -31.6697 -31.6697 -31.6697 -6.9966 -6.9966 -6.4459 -6.4459 -6.4432 -6.4393 -6.3964 -6.3964 0.8722 0.8722 0.8731 0.8824 1.2668 1.2668 1.7382 1.7382 2.0942 2.1202 2.1255 2.1255 2.3041 2.3077 2.3077 2.3082 2.4057 2.4057 2.7277 2.7277 2.9407 2.9666 2.9677 2.9677 3.8212 3.8212 3.8297 3.9345 3.9483 3.9483 4.0539 4.0539 4.0554 4.1183 4.1535 4.1535 4.3318 4.4018 4.4018 4.4224 4.6207 4.6207 4.7443 4.7969 4.7969 4.8324 4.8923 4.8923 5.9647 5.9647 5.9975 6.0109 6.0530 6.0530 7.9519 7.9519 7.9533 7.9535 8.2665 8.2665 8.6012 8.6047 8.6047 8.6075 10.6197 10.6197 11.7908 11.7913 k = 0.3137 0.3137 0.3137 ( 5839 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6697 -31.6697 -31.6697 -31.6697 -6.9714 -6.9714 -6.4539 -6.4539 -6.4512 -6.4473 -6.4037 -6.4037 0.8775 0.8775 0.8786 0.8880 1.2330 1.2330 1.7391 1.7391 2.1002 2.1257 2.1308 2.1308 2.3025 2.3069 2.3070 2.3070 2.3969 2.3969 2.7206 2.7206 2.9321 2.9569 2.9593 2.9593 3.8199 3.8199 3.8315 3.9401 3.9521 3.9521 4.0539 4.0539 4.0651 4.1222 4.1525 4.1525 4.3325 4.4062 4.4062 4.4238 4.5954 4.5954 4.7442 4.7898 4.7898 4.8297 4.8746 4.8746 6.0074 6.0074 6.0217 6.0339 6.0778 6.0778 7.9624 7.9624 7.9637 7.9638 8.2953 8.2953 8.6126 8.6170 8.6170 8.6194 10.6298 10.6298 11.7437 11.7443 k = 0.3235 0.3235 0.3235 ( 5842 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6697 -31.6697 -31.6697 -31.6697 -6.9464 -6.9464 -6.4617 -6.4617 -6.4588 -6.4551 -6.4111 -6.4111 0.8811 0.8811 0.8824 0.8918 1.1995 1.1995 1.7377 1.7377 2.1068 2.1318 2.1368 2.1368 2.3018 2.3067 2.3072 2.3072 2.3885 2.3885 2.7169 2.7169 2.9238 2.9475 2.9513 2.9513 3.8186 3.8186 3.8343 3.9461 3.9559 3.9559 4.0535 4.0535 4.0740 4.1254 4.1512 4.1512 4.3335 4.4103 4.4103 4.4250 4.5709 4.5709 4.7423 4.7829 4.7829 4.8251 4.8568 4.8568 6.0482 6.0482 6.0483 6.0593 6.1059 6.1059 7.9726 7.9726 7.9738 7.9741 8.3253 8.3253 8.6241 8.6293 8.6293 8.6314 10.6385 10.6385 11.6884 11.6887 k = 0.3333 0.3333 0.3333 ( 5854 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6697 -31.6697 -31.6697 -31.6697 -6.9218 -6.9218 -6.4691 -6.4691 -6.4662 -6.4626 -6.4185 -6.4185 0.8831 0.8831 0.8848 0.8940 1.1666 1.1666 1.7340 1.7340 2.1140 2.1387 2.1436 2.1436 2.3018 2.3074 2.3080 2.3080 2.3808 2.3808 2.7166 2.7166 2.9161 2.9385 2.9436 2.9436 3.8175 3.8175 3.8379 3.9525 3.9596 3.9596 4.0526 4.0526 4.0822 4.1278 4.1496 4.1496 4.3349 4.4139 4.4139 4.4261 4.5479 4.5479 4.7386 4.7752 4.7752 4.8187 4.8388 4.8388 6.0771 6.0869 6.0871 6.0871 6.1372 6.1372 7.9826 7.9826 7.9836 7.9841 8.3561 8.3561 8.6358 8.6417 8.6417 8.6434 10.6460 10.6460 11.6255 11.6257 k = 0.3431 0.3431 0.3431 ( 5854 PWs) bands (ev): -58.0423 -58.0423 -32.4924 -32.4924 -31.6698 -31.6698 -31.6698 -31.6698 -6.8974 -6.8974 -6.4763 -6.4763 -6.4733 -6.4698 -6.4258 -6.4258 0.8838 0.8838 0.8857 0.8947 1.1343 1.1343 1.7283 1.7283 2.1218 2.1463 2.1510 2.1510 2.3024 2.3089 2.3091 2.3091 2.3737 2.3737 2.7195 2.7195 2.9087 2.9299 2.9363 2.9363 3.8165 3.8165 3.8425 3.9593 3.9634 3.9634 4.0514 4.0514 4.0896 4.1295 4.1478 4.1478 4.3369 4.4171 4.4171 4.4273 4.5272 4.5272 4.7332 4.7666 4.7666 4.8104 4.8209 4.8209 6.1078 6.1166 6.1241 6.1241 6.1713 6.1713 7.9926 7.9926 7.9934 7.9940 8.3875 8.3875 8.6473 8.6538 8.6538 8.6552 10.6527 10.6527 11.5561 11.5566 k = 0.3529 0.3529 0.3529 ( 5857 PWs) bands (ev): -58.0423 -58.0423 -32.4924 -32.4924 -31.6698 -31.6698 -31.6698 -31.6698 -6.8736 -6.8736 -6.4831 -6.4831 -6.4800 -6.4767 -6.4332 -6.4332 0.8831 0.8831 0.8854 0.8941 1.1029 1.1029 1.7208 1.7208 2.1302 2.1548 2.1592 2.1592 2.3033 2.3104 2.3104 2.3109 2.3674 2.3674 2.7250 2.7250 2.9019 2.9217 2.9294 2.9294 3.8156 3.8156 3.8480 3.9664 3.9671 3.9671 4.0496 4.0496 4.0964 4.1304 4.1456 4.1456 4.3395 4.4199 4.4199 4.4284 4.5094 4.5094 4.7262 4.7565 4.7565 4.8003 4.8031 4.8031 6.1402 6.1479 6.1598 6.1598 6.2069 6.2069 8.0024 8.0024 8.0030 8.0037 8.4193 8.4193 8.6586 8.6656 8.6656 8.6668 10.6585 10.6585 11.4821 11.4835 k = 0.3627 0.3627 0.3627 ( 5863 PWs) bands (ev): -58.0423 -58.0423 -32.4924 -32.4924 -31.6698 -31.6698 -31.6698 -31.6698 -6.8502 -6.8502 -6.4896 -6.4896 -6.4864 -6.4833 -6.4407 -6.4407 0.8814 0.8814 0.8840 0.8924 1.0726 1.0726 1.7117 1.7117 2.1391 2.1639 2.1680 2.1680 2.3043 2.3114 2.3114 2.3132 2.3619 2.3619 2.7329 2.7329 2.8955 2.9140 2.9230 2.9230 3.8147 3.8147 3.8544 3.9707 3.9707 3.9738 4.0472 4.0472 4.1024 4.1305 4.1432 4.1432 4.3427 4.4221 4.4221 4.4296 4.4948 4.4948 4.7178 4.7450 4.7450 4.7856 4.7856 4.7885 6.1737 6.1805 6.1949 6.1949 6.2430 6.2430 8.0122 8.0122 8.0127 8.0134 8.4512 8.4512 8.6695 8.6768 8.6768 8.6778 10.6637 10.6637 11.4054 11.4075 k = 0.3725 0.3725 0.3725 ( 5863 PWs) bands (ev): -58.0423 -58.0423 -32.4924 -32.4924 -31.6698 -31.6698 -31.6698 -31.6698 -6.8275 -6.8275 -6.4958 -6.4958 -6.4924 -6.4895 -6.4481 -6.4481 0.8788 0.8788 0.8817 0.8897 1.0436 1.0436 1.7016 1.7016 2.1485 2.1737 2.1773 2.1773 2.3053 2.3120 2.3120 2.3157 2.3574 2.3574 2.7427 2.7427 2.8897 2.9067 2.9170 2.9170 3.8138 3.8138 3.8617 3.9744 3.9744 3.9814 4.0443 4.0443 4.1078 4.1299 4.1406 4.1406 4.3466 4.4235 4.4235 4.4310 4.4839 4.4839 4.7081 4.7321 4.7321 4.7685 4.7685 4.7753 6.2081 6.2140 6.2295 6.2295 6.2787 6.2787 8.0220 8.0220 8.0223 8.0231 8.4829 8.4829 8.6799 8.6874 8.6874 8.6882 10.6683 10.6683 11.3274 11.3302 k = 0.3824 0.3824 0.3824 ( 5866 PWs) bands (ev): -58.0423 -58.0423 -32.4924 -32.4924 -31.6699 -31.6699 -31.6699 -31.6699 -6.8055 -6.8055 -6.5015 -6.5015 -6.4980 -6.4953 -6.4556 -6.4556 0.8755 0.8755 0.8787 0.8863 1.0161 1.0161 1.6907 1.6907 2.1583 2.1839 2.1869 2.1869 2.3061 2.3120 2.3120 2.3181 2.3538 2.3538 2.7541 2.7541 2.8844 2.9000 2.9115 2.9115 3.8128 3.8128 3.8697 3.9780 3.9780 3.9889 4.0408 4.0408 4.1126 4.1287 4.1378 4.1378 4.3512 4.4240 4.4240 4.4325 4.4768 4.4768 4.6974 4.7177 4.7177 4.7518 4.7518 4.7608 6.2428 6.2479 6.2638 6.2638 6.3135 6.3135 8.0318 8.0318 8.0320 8.0328 8.5140 8.5140 8.6895 8.6971 8.6971 8.6978 10.6725 10.6725 11.2496 11.2530 k = 0.3922 0.3922 0.3922 ( 5860 PWs) bands (ev): -58.0423 -58.0423 -32.4924 -32.4924 -31.6699 -31.6699 -31.6699 -31.6699 -6.7842 -6.7842 -6.5068 -6.5068 -6.5033 -6.5007 -6.4631 -6.4631 0.8716 0.8716 0.8752 0.8823 0.9901 0.9901 1.6794 1.6794 2.1683 2.1945 2.1968 2.1968 2.3067 2.3113 2.3113 2.3204 2.3513 2.3513 2.7665 2.7665 2.8796 2.8938 2.9065 2.9065 3.8116 3.8116 3.8784 3.9816 3.9816 3.9962 4.0367 4.0367 4.1167 4.1270 4.1351 4.1351 4.3567 4.4239 4.4239 4.4342 4.4735 4.4735 4.6859 4.7024 4.7024 4.7354 4.7354 4.7452 6.2773 6.2817 6.2974 6.2974 6.3468 6.3468 8.0417 8.0417 8.0418 8.0425 8.5444 8.5444 8.6983 8.7059 8.7059 8.7064 10.6764 10.6764 11.1733 11.1771 k = 0.4020 0.4020 0.4020 ( 5860 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6699 -31.6699 -31.6699 -31.6699 -6.7637 -6.7637 -6.5118 -6.5118 -6.5081 -6.5057 -6.4707 -6.4707 0.8674 0.8674 0.8714 0.8780 0.9659 0.9659 1.6680 1.6680 2.1785 2.2053 2.2068 2.2068 2.3069 2.3099 2.3099 2.3223 2.3496 2.3496 2.7794 2.7794 2.8753 2.8881 2.9020 2.9020 3.8103 3.8103 3.8878 3.9850 3.9850 4.0032 4.0323 4.0323 4.1202 4.1249 4.1326 4.1326 4.3629 4.4236 4.4236 4.4361 4.4733 4.4733 4.6739 4.6863 4.6863 4.7193 4.7193 4.7286 6.3112 6.3150 6.3299 6.3299 6.3784 6.3784 8.0516 8.0516 8.0517 8.0523 8.5736 8.5736 8.7060 8.7135 8.7135 8.7139 10.6799 10.6799 11.0997 11.1038 k = 0.4118 0.4118 0.4118 ( 5866 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6699 -31.6699 -31.6699 -31.6699 -6.7442 -6.7442 -6.5163 -6.5163 -6.5124 -6.5103 -6.4784 -6.4784 0.8631 0.8631 0.8675 0.8735 0.9435 0.9435 1.6569 1.6569 2.1888 2.2162 2.2167 2.2167 2.3065 2.3082 2.3082 2.3237 2.3484 2.3484 2.7925 2.7925 2.8716 2.8829 2.8980 2.8980 3.8088 3.8088 3.8978 3.9882 3.9882 4.0094 4.0276 4.0276 4.1225 4.1230 4.1303 4.1303 4.3699 4.4236 4.4236 4.4383 4.4755 4.4755 4.6615 4.6699 4.6699 4.7032 4.7032 4.7115 6.3439 6.3470 6.3610 6.3610 6.4080 6.4080 8.0615 8.0615 8.0615 8.0620 8.6013 8.6013 8.7127 8.7200 8.7200 8.7202 10.6833 10.6833 11.0297 11.0340 k = 0.4216 0.4216 0.4216 ( 5875 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6699 -31.6699 -31.6699 -31.6699 -6.7256 -6.7256 -6.5204 -6.5204 -6.5164 -6.5144 -6.4861 -6.4861 0.8587 0.8587 0.8635 0.8689 0.9232 0.9232 1.6462 1.6462 2.1991 2.2263 2.2263 2.2270 2.3057 2.3063 2.3063 2.3246 2.3475 2.3475 2.8054 2.8054 2.8683 2.8782 2.8946 2.8946 3.8070 3.8070 3.9082 3.9911 3.9911 4.0147 4.0229 4.0229 4.1201 4.1252 4.1283 4.1283 4.3776 4.4244 4.4244 4.4407 4.4795 4.4795 4.6490 4.6536 4.6536 4.6873 4.6873 4.6939 6.3749 6.3775 6.3900 6.3900 6.4355 6.4355 8.0712 8.0713 8.0713 8.0716 8.6271 8.6271 8.7183 8.7253 8.7253 8.7253 10.6864 10.6864 10.9644 10.9687 k = 0.4314 0.4314 0.4314 ( 5887 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6699 -31.6699 -31.6699 -31.6699 -6.7081 -6.7081 -6.5240 -6.5240 -6.5198 -6.5181 -6.4937 -6.4937 0.8544 0.8544 0.8598 0.8645 0.9050 0.9050 1.6362 1.6362 2.2092 2.2354 2.2354 2.2375 2.3042 2.3044 2.3044 2.3247 2.3466 2.3466 2.8175 2.8175 2.8655 2.8741 2.8917 2.8917 3.8051 3.8051 3.9189 3.9936 3.9936 4.0184 4.0184 4.0186 4.1180 4.1266 4.1266 4.1268 4.3861 4.4262 4.4262 4.4433 4.4848 4.4848 4.6367 4.6377 4.6377 4.6714 4.6714 4.6763 6.4036 6.4058 6.4166 6.4166 6.4607 6.4607 8.0807 8.0808 8.0808 8.0810 8.6509 8.6509 8.7228 8.7292 8.7295 8.7295 10.6892 10.6892 10.9047 10.9089 k = 0.4412 0.4412 0.4412 ( 5887 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6699 -31.6699 -31.6699 -31.6699 -6.6919 -6.6919 -6.5272 -6.5272 -6.5228 -6.5214 -6.5014 -6.5014 0.8504 0.8504 0.8562 0.8603 0.8890 0.8890 1.6272 1.6272 2.2190 2.2439 2.2439 2.2477 2.3022 2.3030 2.3030 2.3242 2.3455 2.3455 2.8286 2.8286 2.8632 2.8704 2.8895 2.8895 3.8032 3.8032 3.9300 3.9956 3.9956 4.0147 4.0147 4.0208 4.1166 4.1254 4.1254 4.1278 4.3952 4.4289 4.4289 4.4459 4.4913 4.4913 4.6225 4.6225 4.6250 4.6558 4.6558 4.6591 6.4297 6.4314 6.4403 6.4403 6.4834 6.4834 8.0897 8.0898 8.0898 8.0900 8.6722 8.6722 8.7263 8.7320 8.7325 8.7325 10.6918 10.6918 10.8514 10.8553 k = 0.4510 0.4510 0.4510 ( 5887 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6700 -31.6699 -6.6770 -6.6770 -6.5300 -6.5300 -6.5254 -6.5241 -6.5088 -6.5088 0.8467 0.8467 0.8531 0.8566 0.8755 0.8755 1.6193 1.6193 2.2286 2.2513 2.2513 2.2572 2.2997 2.3020 2.3020 2.3228 2.3442 2.3442 2.8383 2.8383 2.8614 2.8673 2.8880 2.8880 3.8012 3.8012 3.9412 3.9967 3.9967 4.0119 4.0119 4.0211 4.1159 4.1244 4.1244 4.1282 4.4048 4.4324 4.4324 4.4484 4.4987 4.4987 4.6083 4.6083 4.6142 4.6406 4.6406 4.6424 6.4526 6.4540 6.4607 6.4607 6.5033 6.5033 8.0981 8.0981 8.0981 8.0982 8.6908 8.6908 8.7288 8.7338 8.7346 8.7346 10.6941 10.6941 10.8052 10.8086 k = 0.4608 0.4608 0.4608 ( 5880 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6700 -31.6700 -6.6637 -6.6637 -6.5324 -6.5324 -6.5274 -6.5264 -6.5158 -6.5158 0.8433 0.8433 0.8505 0.8533 0.8645 0.8645 1.6126 1.6126 2.2378 2.2577 2.2577 2.2658 2.2969 2.3016 2.3016 2.3205 2.3428 2.3428 2.8462 2.8462 2.8601 2.8647 2.8871 2.8871 3.7994 3.7994 3.9524 3.9967 3.9967 4.0105 4.0105 4.0193 4.1162 4.1237 4.1237 4.1281 4.4146 4.4363 4.4363 4.4506 4.5069 4.5069 4.5955 4.5955 4.6046 4.6261 4.6261 4.6270 6.4720 6.4730 6.4777 6.4777 6.5202 6.5202 8.1055 8.1055 8.1055 8.1055 8.7064 8.7064 8.7306 8.7347 8.7359 8.7359 10.6961 10.6961 10.7666 10.7695 k = 0.4706 0.4706 0.4706 ( 5880 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6700 -31.6700 -6.6524 -6.6524 -6.5344 -6.5344 -6.5290 -6.5283 -6.5220 -6.5220 0.8404 0.8404 0.8485 0.8506 0.8562 0.8562 1.6073 1.6073 2.2465 2.2625 2.2625 2.2725 2.2947 2.3019 2.3019 2.3175 2.3411 2.3411 2.8522 2.8522 2.8592 2.8626 2.8870 2.8870 3.7978 3.7978 3.9634 3.9959 3.9959 4.0101 4.0101 4.0154 4.1172 4.1233 4.1233 4.1274 4.4243 4.4402 4.4402 4.4520 4.5154 4.5154 4.5845 4.5845 4.5968 4.6126 4.6126 4.6133 6.4874 6.4882 6.4909 6.4909 6.5337 6.5337 8.1116 8.1116 8.1116 8.1116 8.7187 8.7187 8.7318 8.7350 8.7367 8.7367 10.6975 10.6975 10.7361 10.7384 k = 0.4804 0.4804 0.4804 ( 5889 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6700 -31.6700 -6.6436 -6.6436 -6.5361 -6.5361 -6.5301 -6.5296 -6.5269 -6.5269 0.8378 0.8378 0.8471 0.8485 0.8505 0.8505 1.6034 1.6034 2.2546 2.2659 2.2659 2.2754 2.2949 2.3026 2.3026 2.3136 2.3396 2.3396 2.8561 2.8561 2.8587 2.8609 2.8873 2.8873 3.7965 3.7965 3.9742 3.9949 3.9949 4.0096 4.0103 4.0103 4.1188 4.1229 4.1229 4.1262 4.4332 4.4436 4.4436 4.4522 4.5238 4.5238 4.5756 4.5756 4.5912 4.6010 4.6010 4.6021 6.4987 6.4992 6.5004 6.5004 6.5436 6.5436 8.1162 8.1162 8.1162 8.1162 8.7275 8.7275 8.7327 8.7348 8.7372 8.7372 10.6983 10.6983 10.7142 10.7158 k = 0.4902 0.4902 0.4902 ( 5904 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6700 -31.6700 -6.6379 -6.6379 -6.5375 -6.5375 -6.5307 -6.5305 -6.5299 -6.5299 0.8361 0.8361 0.8464 0.8471 0.8474 0.8474 1.6011 1.6011 2.2620 2.2678 2.2678 2.2734 2.2985 2.3034 2.3034 2.3089 2.3385 2.3385 2.8582 2.8582 2.8586 2.8597 2.8878 2.8878 3.7957 3.7957 3.9843 3.9941 3.9941 4.0024 4.0105 4.0105 4.1207 4.1227 4.1227 4.1246 4.4409 4.4460 4.4460 4.4506 4.5306 4.5306 4.5695 4.5695 4.5886 4.5926 4.5926 4.5939 6.5056 6.5058 6.5061 6.5061 6.5496 6.5496 8.1190 8.1191 8.1191 8.1191 8.7325 8.7325 8.7334 8.7344 8.7377 8.7377 10.6979 10.6979 10.7011 10.7019 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6700 -31.6700 -6.6359 -6.6359 -6.5381 -6.5381 -6.5309 -6.5309 -6.5309 -6.5309 0.8354 0.8354 0.8464 0.8464 0.8464 0.8464 1.6003 1.6003 2.2684 2.2684 2.2684 2.2684 2.3037 2.3037 2.3037 2.3037 2.3380 2.3380 2.8589 2.8589 2.8589 2.8589 2.8880 2.8880 3.7954 3.7954 3.9938 3.9938 3.9938 3.9938 4.0106 4.0106 4.1227 4.1227 4.1227 4.1227 4.4468 4.4468 4.4468 4.4468 4.5335 4.5335 4.5672 4.5672 4.5894 4.5894 4.5894 4.5894 6.5080 6.5080 6.5080 6.5080 6.5516 6.5516 8.1200 8.1200 8.1200 8.1200 8.7339 8.7339 8.7339 8.7339 8.7381 8.7381 10.6970 10.6970 10.6970 10.6970 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6700 -31.6700 -6.6359 -6.6359 -6.5381 -6.5381 -6.5309 -6.5309 -6.5309 -6.5309 0.8354 0.8354 0.8464 0.8464 0.8464 0.8464 1.6003 1.6003 2.2684 2.2684 2.2684 2.2684 2.3037 2.3037 2.3037 2.3037 2.3380 2.3380 2.8589 2.8589 2.8589 2.8589 2.8880 2.8880 3.7954 3.7954 3.9938 3.9938 3.9938 3.9938 4.0106 4.0106 4.1227 4.1227 4.1227 4.1227 4.4468 4.4468 4.4468 4.4468 4.5335 4.5335 4.5672 4.5672 4.5894 4.5894 4.5894 4.5894 6.5080 6.5080 6.5080 6.5080 6.5516 6.5516 8.1200 8.1200 8.1200 8.1200 8.7339 8.7339 8.7339 8.7339 8.7381 8.7381 10.6970 10.6970 10.6970 10.6970 k = 0.4881 0.5000 0.4881 ( 5904 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6700 -31.6700 -6.6378 -6.6378 -6.5376 -6.5375 -6.5308 -6.5306 -6.5299 -6.5298 0.8361 0.8361 0.8465 0.8471 0.8472 0.8474 1.6011 1.6011 2.2622 2.2664 2.2692 2.2732 2.2987 2.3021 2.3047 2.3087 2.3385 2.3385 2.8582 2.8585 2.8585 2.8596 2.8878 2.8878 3.7957 3.7957 3.9848 3.9918 3.9963 4.0020 4.0105 4.0105 4.1208 4.1222 4.1232 4.1245 4.4410 4.4449 4.4470 4.4505 4.5305 4.5310 4.5687 4.5699 4.5887 4.5922 4.5924 4.5942 6.5054 6.5056 6.5063 6.5064 6.5496 6.5497 8.1185 8.1185 8.1196 8.1196 8.7323 8.7328 8.7334 8.7343 8.7376 8.7378 10.6982 10.6986 10.7006 10.7013 k = 0.4762 0.5000 0.4762 ( 5890 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6700 -31.6700 -6.6434 -6.6434 -6.5365 -6.5364 -6.5303 -6.5299 -6.5267 -6.5264 0.8378 0.8379 0.8474 0.8487 0.8500 0.8504 1.6034 1.6034 2.2550 2.2634 2.2682 2.2760 2.2940 2.3009 2.3048 2.3131 2.3395 2.3398 2.8561 2.8568 2.8584 2.8606 2.8873 2.8873 3.7965 3.7965 3.9750 3.9903 3.9990 4.0091 4.0102 4.0106 4.1189 4.1219 4.1239 4.1261 4.4328 4.4420 4.4449 4.4528 4.5237 4.5261 4.5703 4.5775 4.5922 4.5984 4.6016 4.6039 6.4978 6.4982 6.5014 6.5016 6.5438 6.5439 8.1141 8.1141 8.1184 8.1184 8.7270 8.7286 8.7327 8.7344 8.7368 8.7376 10.7009 10.7021 10.7101 10.7106 k = 0.4643 0.5000 0.4643 ( 5882 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6700 -31.6700 -6.6520 -6.6519 -6.5357 -6.5354 -6.5291 -6.5284 -6.5213 -6.5209 0.8404 0.8404 0.8494 0.8512 0.8548 0.8555 1.6072 1.6072 2.2470 2.2597 2.2646 2.2766 2.2897 2.3014 2.3038 2.3170 2.3411 2.3419 2.8526 2.8536 2.8585 2.8617 2.8868 2.8869 3.7977 3.7978 3.9648 3.9893 4.0013 4.0096 4.0104 4.0159 4.1173 4.1216 4.1245 4.1275 4.4227 4.4386 4.4407 4.4537 4.5167 4.5216 4.5708 4.5869 4.5999 4.6075 4.6150 4.6169 6.4851 6.4858 6.4932 6.4936 6.5343 6.5346 8.1070 8.1071 8.1163 8.1164 8.7180 8.7207 8.7318 8.7339 8.7364 8.7373 10.7045 10.7064 10.7237 10.7238 k = 0.4524 0.5000 0.4524 ( 5878 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6700 -31.6700 -6.6628 -6.6627 -6.5354 -6.5351 -6.5270 -6.5261 -6.5145 -6.5140 0.8430 0.8433 0.8527 0.8549 0.8619 0.8628 1.6124 1.6124 2.2383 2.2553 2.2582 2.2757 2.2847 2.3020 2.3039 2.3202 2.3431 2.3445 2.8475 2.8489 2.8585 2.8628 2.8869 2.8870 3.7992 3.7995 3.9542 3.9889 4.0022 4.0088 4.0111 4.0216 4.1163 4.1214 4.1251 4.1286 4.4115 4.4347 4.4352 4.4527 4.5118 4.5189 4.5712 4.5963 4.6105 4.6204 4.6303 4.6317 6.4674 6.4685 6.4816 6.4823 6.5217 6.5224 8.0977 8.0979 8.1135 8.1135 8.7057 8.7094 8.7305 8.7327 8.7360 8.7368 10.7092 10.7119 10.7418 10.7422 k = 0.4405 0.5000 0.4405 ( 5882 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6699 -31.6699 -6.6753 -6.6752 -6.5355 -6.5353 -6.5239 -6.5228 -6.5067 -6.5062 0.8455 0.8463 0.8576 0.8597 0.8713 0.8725 1.6190 1.6191 2.2291 2.2499 2.2504 2.2741 2.2788 2.2993 2.3075 2.3230 2.3451 2.3473 2.8406 2.8423 2.8585 2.8637 2.8879 2.8879 3.8009 3.8015 3.9435 3.9888 4.0016 4.0079 4.0120 4.0272 4.1159 4.1213 4.1256 4.1295 4.3999 4.4291 4.4304 4.4495 4.5097 4.5183 4.5721 4.6053 4.6229 4.6366 4.6468 4.6474 6.4449 6.4465 6.4667 6.4676 6.5063 6.5075 8.0865 8.0869 8.1098 8.1099 8.6903 8.6948 8.7287 8.7310 8.7350 8.7356 10.7154 10.7188 10.7649 10.7656 k = 0.4286 0.5000 0.4286 ( 5892 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6699 -31.6699 -6.6892 -6.6890 -6.5360 -6.5358 -6.5199 -6.5187 -6.4985 -6.4978 0.8479 0.8493 0.8637 0.8658 0.8828 0.8842 1.6269 1.6270 2.2193 2.2405 2.2449 2.2713 2.2727 2.2958 2.3115 2.3254 2.3474 2.3501 2.8319 2.8340 2.8585 2.8644 2.8899 2.8901 3.8026 3.8034 3.9329 3.9890 4.0000 4.0071 4.0119 4.0331 4.1162 4.1214 4.1257 4.1304 4.3884 4.4229 4.4260 4.4447 4.5103 4.5196 4.5738 4.6145 4.6363 4.6552 4.6635 4.6640 6.4180 6.4200 6.4487 6.4498 6.4887 6.4903 8.0740 8.0746 8.1053 8.1055 8.6721 8.6773 8.7260 8.7285 8.7332 8.7337 10.7233 10.7272 10.7930 10.7938 k = 0.4167 0.5000 0.4167 ( 5892 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6699 -31.6699 -6.7041 -6.7039 -6.5368 -6.5366 -6.5152 -6.5139 -6.4899 -6.4892 0.8504 0.8523 0.8709 0.8730 0.8964 0.8979 1.6359 1.6361 2.2092 2.2302 2.2391 2.2643 2.2695 2.2918 2.3156 2.3276 2.3497 2.3529 2.8215 2.8239 2.8584 2.8650 2.8931 2.8936 3.8042 3.8052 3.9228 3.9892 3.9978 4.0066 4.0106 4.0396 4.1173 4.1216 4.1256 4.1314 4.3774 4.4170 4.4219 4.4391 4.5128 4.5224 4.5768 4.6242 4.6499 4.6749 4.6800 4.6819 6.3872 6.3895 6.4276 6.4289 6.4689 6.4710 8.0606 8.0615 8.1001 8.1004 8.6512 8.6571 8.7224 8.7252 8.7303 8.7309 10.7329 10.7374 10.8258 10.8268 k = 0.4048 0.5000 0.4048 ( 5868 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6699 -31.6699 -31.6699 -31.6699 -6.7198 -6.7196 -6.5379 -6.5377 -6.5097 -6.5084 -6.4812 -6.4803 0.8529 0.8554 0.8790 0.8812 0.9118 0.9136 1.6459 1.6463 2.1988 2.2195 2.2329 2.2563 2.2664 2.2873 2.3197 2.3296 2.3523 2.3557 2.8095 2.8122 2.8586 2.8658 2.8973 2.8982 3.8056 3.8063 3.9135 3.9890 3.9950 4.0069 4.0084 4.0467 4.1187 4.1223 4.1252 4.1326 4.3672 4.4115 4.4183 4.4337 4.5163 4.5262 4.5814 4.6346 4.6633 4.6927 4.6992 4.7004 6.3532 6.3558 6.4038 6.4053 6.4472 6.4496 8.0467 8.0480 8.0941 8.0945 8.6282 8.6346 8.7177 8.7209 8.7261 8.7269 10.7444 10.7495 10.8632 10.8643 k = 0.3929 0.5000 0.3929 ( 5872 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6699 -31.6699 -31.6699 -31.6699 -6.7363 -6.7360 -6.5393 -6.5391 -6.5036 -6.5021 -6.4724 -6.4714 0.8554 0.8585 0.8880 0.8903 0.9290 0.9308 1.6568 1.6573 2.1881 2.2084 2.2263 2.2476 2.2629 2.2822 2.3236 2.3314 2.3551 2.3586 2.7961 2.7990 2.8592 2.8670 2.9024 2.9036 3.8062 3.8063 3.9055 3.9883 3.9913 4.0059 4.0080 4.0539 4.1197 4.1238 4.1245 4.1338 4.3579 4.4067 4.4156 4.4289 4.5203 4.5302 4.5878 4.6457 4.6758 4.7074 4.7195 4.7216 6.3166 6.3193 6.3777 6.3793 6.4235 6.4261 8.0327 8.0344 8.0872 8.0879 8.6031 8.6099 8.7117 8.7155 8.7207 8.7217 10.7578 10.7633 10.9051 10.9061 k = 0.3810 0.5000 0.3810 ( 5868 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6699 -31.6699 -31.6699 -31.6699 -6.7534 -6.7530 -6.5410 -6.5408 -6.4968 -6.4953 -6.4634 -6.4624 0.8579 0.8615 0.8977 0.9001 0.9478 0.9496 1.6683 1.6690 2.1772 2.1971 2.2195 2.2385 2.2590 2.2768 2.3271 2.3331 2.3583 2.3616 2.7814 2.7844 2.8605 2.8688 2.9085 2.9099 3.8045 3.8064 3.8992 3.9866 3.9869 4.0040 4.0099 4.0612 4.1202 4.1236 4.1262 4.1351 4.3497 4.4027 4.4138 4.4251 4.5243 4.5341 4.5961 4.6577 4.6871 4.7205 4.7392 4.7453 6.2782 6.2808 6.3496 6.3512 6.3978 6.4004 8.0188 8.0209 8.0796 8.0806 8.5766 8.5836 8.7045 8.7087 8.7139 8.7152 10.7731 10.7790 10.9510 10.9521 k = 0.3690 0.5000 0.3690 ( 5868 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6699 -31.6699 -31.6698 -31.6698 -6.7709 -6.7705 -6.5430 -6.5429 -6.4895 -6.4878 -6.4544 -6.4534 0.8604 0.8644 0.9080 0.9105 0.9679 0.9698 1.6802 1.6812 2.1663 2.1856 2.2124 2.2291 2.2548 2.2711 2.3305 2.3348 2.3621 2.3648 2.7656 2.7687 2.8625 2.8714 2.9152 2.9169 3.8009 3.8055 3.8948 3.9811 3.9850 4.0030 4.0125 4.0683 4.1204 4.1226 4.1290 4.1364 4.3428 4.3996 4.4133 4.4226 4.5281 4.5376 4.6061 4.6704 4.6969 4.7320 4.7595 4.7697 6.2385 6.2409 6.3198 6.3214 6.3703 6.3728 8.0053 8.0078 8.0712 8.0726 8.5489 8.5559 8.6959 8.7006 8.7058 8.7073 10.7901 10.7964 11.0010 11.0021 k = 0.3571 0.5000 0.3571 ( 5876 PWs) bands (ev): -58.0423 -58.0423 -32.4924 -32.4924 -31.6699 -31.6699 -31.6698 -31.6698 -6.7889 -6.7884 -6.5454 -6.5453 -6.4815 -6.4798 -6.4453 -6.4442 0.8626 0.8671 0.9188 0.9213 0.9892 0.9910 1.6923 1.6936 2.1553 2.1742 2.2052 2.2194 2.2503 2.2651 2.3336 2.3366 2.3665 2.3684 2.7488 2.7520 2.8654 2.8748 2.9227 2.9245 3.7953 3.8036 3.8924 3.9750 3.9828 4.0030 4.0154 4.0748 4.1206 4.1217 4.1318 4.1377 4.3373 4.3975 4.4139 4.4212 4.5315 4.5409 4.6176 4.6838 4.7050 4.7417 4.7802 4.7947 6.1983 6.2003 6.2889 6.2903 6.3410 6.3431 7.9922 7.9952 8.0619 8.0638 8.5205 8.5273 8.6860 8.6910 8.6964 8.6980 10.8089 10.8154 11.0547 11.0558 k = 0.3452 0.5000 0.3452 ( 5860 PWs) bands (ev): -58.0423 -58.0423 -32.4924 -32.4924 -31.6699 -31.6699 -31.6698 -31.6698 -6.8071 -6.8066 -6.5481 -6.5480 -6.4731 -6.4712 -6.4362 -6.4350 0.8645 0.8695 0.9299 0.9326 1.0116 1.0133 1.7044 1.7061 2.1445 2.1628 2.1978 2.2096 2.2456 2.2589 2.3367 2.3388 2.3716 2.3725 2.7312 2.7344 2.8695 2.8792 2.9309 2.9327 3.7881 3.8006 3.8917 3.9687 3.9804 4.0043 4.0186 4.0807 4.1208 4.1210 4.1347 4.1392 4.3332 4.3965 4.4157 4.4212 4.5344 4.5440 4.6304 4.6979 4.7114 4.7494 4.8013 4.8201 6.1582 6.1593 6.2571 6.2583 6.3102 6.3116 7.9797 7.9832 8.0517 8.0543 8.4919 8.4983 8.6749 8.6800 8.6858 8.6873 10.8291 10.8358 11.1118 11.1129 k = 0.3333 0.5000 0.3333 ( 5864 PWs) bands (ev): -58.0423 -58.0423 -32.4924 -32.4924 -31.6699 -31.6699 -31.6697 -31.6697 -6.8256 -6.8251 -6.5511 -6.5511 -6.4641 -6.4621 -6.4270 -6.4257 0.8661 0.8715 0.9413 0.9440 1.0347 1.0363 1.7162 1.7183 2.1339 2.1517 2.1905 2.1999 2.2407 2.2526 2.3401 2.3415 2.3770 2.3773 2.7130 2.7161 2.8746 2.8847 2.9396 2.9414 3.7797 3.7964 3.8920 3.9624 3.9778 4.0066 4.0215 4.0856 4.1205 4.1209 4.1374 4.1407 4.3305 4.3966 4.4186 4.4224 4.5367 4.5471 4.6437 4.7125 4.7162 4.7551 4.8226 4.8458 6.1184 6.1186 6.2249 6.2256 6.2781 6.2784 7.9678 7.9718 8.0404 8.0439 8.4634 8.4691 8.6626 8.6675 8.6742 8.6752 10.8506 10.8574 11.1722 11.1733 k = 0.3214 0.5000 0.3214 ( 5860 PWs) bands (ev): -58.0423 -58.0423 -32.4924 -32.4924 -31.6699 -31.6699 -31.6697 -31.6697 -6.8442 -6.8437 -6.5545 -6.5545 -6.4547 -6.4526 -6.4177 -6.4164 0.8671 0.8729 0.9527 0.9556 1.0584 1.0598 1.7275 1.7301 2.1235 2.1408 2.1833 2.1903 2.2357 2.2462 2.3440 2.3449 2.3820 2.3836 2.6943 2.6972 2.8811 2.8913 2.9489 2.9506 3.7706 3.7912 3.8930 3.9562 3.9751 4.0101 4.0239 4.0894 4.1203 4.1209 4.1399 4.1424 4.3293 4.3978 4.4225 4.4250 4.5382 4.5502 4.6568 4.7198 4.7273 4.7589 4.8441 4.8717 6.0783 6.0795 6.1925 6.1926 6.2437 6.2450 7.9566 7.9610 8.0281 8.0325 8.4356 8.4404 8.6493 8.6536 8.6617 8.6619 10.8731 10.8800 11.2355 11.2366 k = 0.3095 0.5000 0.3095 ( 5864 PWs) bands (ev): -58.0423 -58.0423 -32.4924 -32.4924 -31.6699 -31.6699 -31.6697 -31.6697 -6.8629 -6.8623 -6.5583 -6.5582 -6.4448 -6.4428 -6.4083 -6.4070 0.8676 0.8738 0.9641 0.9671 1.0825 1.0837 1.7380 1.7412 2.1135 2.1304 2.1763 2.1810 2.2305 2.2399 2.3486 2.3493 2.3875 2.3903 2.6753 2.6780 2.8888 2.8990 2.9588 2.9603 3.7611 3.7850 3.8942 3.9501 3.9724 4.0147 4.0256 4.0921 4.1206 4.1206 4.1422 4.1445 4.3296 4.3999 4.4269 4.4289 4.5390 4.5536 4.6683 4.7237 4.7411 4.7619 4.8657 4.8976 6.0386 6.0417 6.1596 6.1603 6.2079 6.2113 7.9461 7.9509 8.0144 8.0201 8.4090 8.4126 8.6348 8.6382 8.6475 8.6484 10.8963 10.9033 11.3015 11.3027 k = 0.2976 0.5000 0.2976 ( 5864 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6699 -31.6699 -31.6697 -31.6697 -6.8816 -6.8810 -6.5623 -6.5623 -6.4347 -6.4325 -6.3989 -6.3976 0.8674 0.8739 0.9753 0.9784 1.1068 1.1076 1.7476 1.7514 2.1039 2.1204 2.1695 2.1721 2.2253 2.2335 2.3540 2.3547 2.3936 2.3976 2.6561 2.6587 2.8979 2.9080 2.9693 2.9705 3.7517 3.7781 3.8954 3.9442 3.9697 4.0203 4.0262 4.0936 4.1201 4.1211 4.1444 4.1473 4.3313 4.4028 4.4316 4.4340 4.5389 4.5573 4.6756 4.7304 4.7486 4.7694 4.8872 4.9235 5.9996 6.0049 6.1267 6.1286 6.1714 6.1777 7.9362 7.9414 7.9995 8.0064 8.3840 8.3861 8.6192 8.6216 8.6324 8.6346 10.9200 10.9270 11.3698 11.3711 k = 0.2857 0.5000 0.2857 ( 5866 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6699 -31.6698 -31.6696 -31.6696 -6.9002 -6.8996 -6.5666 -6.5666 -6.4242 -6.4220 -6.3894 -6.3881 0.8665 0.8733 0.9862 0.9894 1.1310 1.1315 1.7561 1.7605 2.0950 2.1110 2.1631 2.1638 2.2200 2.2273 2.3605 2.3613 2.4001 2.4052 2.6370 2.6393 2.9084 2.9181 2.9802 2.9812 3.7424 3.7705 3.8963 3.9385 3.9671 4.0257 4.0269 4.0940 4.1191 4.1219 4.1466 4.1509 4.3344 4.4064 4.4361 4.4405 4.5380 4.5613 4.6766 4.7421 4.7469 4.7843 4.9086 4.9492 5.9609 5.9689 6.0943 6.0978 6.1347 6.1446 7.9269 7.9326 7.9831 7.9914 8.3609 8.3614 8.6024 8.6038 8.6169 8.6203 10.9438 10.9507 11.4401 11.4416 k = 0.2738 0.5000 0.2738 ( 5862 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6698 -31.6698 -31.6696 -31.6696 -6.9186 -6.9180 -6.5711 -6.5711 -6.4135 -6.4113 -6.3799 -6.3786 0.8648 0.8718 0.9967 0.9999 1.1549 1.1550 1.7634 1.7684 2.0866 2.1024 2.1560 2.1571 2.2147 2.2212 2.3680 2.3690 2.4073 2.4132 2.6181 2.6200 2.9204 2.9296 2.9917 2.9923 3.7335 3.7626 3.8969 3.9330 3.9645 4.0240 4.0342 4.0934 4.1179 4.1227 4.1487 4.1555 4.3386 4.4105 4.4400 4.4480 4.5362 4.5657 4.6718 4.7407 4.7587 4.8020 4.9297 4.9745 5.9221 5.9334 6.0629 6.0682 6.0986 6.1129 7.9184 7.9244 7.9651 7.9750 8.3388 8.3402 8.5843 8.5849 8.6014 8.6058 10.9675 10.9743 11.5122 11.5138 k = 0.2619 0.5000 0.2619 ( 5864 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6698 -31.6698 -31.6696 -31.6696 -6.9369 -6.9363 -6.5759 -6.5759 -6.4026 -6.4003 -6.3704 -6.3691 0.8621 0.8694 1.0067 1.0099 1.1780 1.1783 1.7694 1.7751 2.0791 2.0945 2.1490 2.1515 2.2095 2.2152 2.3764 2.3777 2.4149 2.4216 2.5996 2.6011 2.9339 2.9423 3.0038 3.0040 3.7252 3.7545 3.8969 3.9277 3.9621 4.0211 4.0421 4.0915 4.1164 4.1234 4.1509 4.1613 4.3439 4.4150 4.4428 4.4565 4.5336 4.5702 4.6630 4.7314 4.7787 4.8212 4.9505 4.9994 5.8827 5.8977 6.0327 6.0396 6.0640 6.0830 7.9104 7.9167 7.9457 7.9570 8.3188 8.3220 8.5652 8.5653 8.5858 8.5911 10.9908 10.9973 11.5855 11.5875 k = 0.2500 0.5000 0.2500 ( 5856 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6698 -31.6698 -31.6695 -31.6695 -6.9548 -6.9542 -6.5808 -6.5808 -6.3915 -6.3893 -6.3610 -6.3596 0.8587 0.8660 1.0160 1.0193 1.2003 1.2010 1.7743 1.7805 2.0725 2.0876 2.1427 2.1466 2.2044 2.2094 2.3857 2.3874 2.4231 2.4302 2.5816 2.5827 2.9488 2.9562 3.0162 3.0164 3.7175 3.7464 3.8964 3.9227 3.9599 4.0172 4.0506 4.0884 4.1151 4.1240 4.1531 4.1681 4.3501 4.4198 4.4445 4.4655 4.5303 4.5744 4.6517 4.7198 4.8013 4.8415 4.9708 5.0237 5.8421 5.8611 6.0044 6.0119 6.0327 6.0554 7.9030 7.9096 7.9250 7.9376 8.3014 8.3064 8.5449 8.5452 8.5705 8.5764 11.0133 11.0195 11.6598 11.6622 k = 0.2381 0.5000 0.2381 ( 5870 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6698 -31.6698 -31.6695 -31.6695 -6.9724 -6.9718 -6.5859 -6.5859 -6.3804 -6.3781 -6.3516 -6.3502 0.8543 0.8617 1.0246 1.0279 1.2215 1.2227 1.7779 1.7846 2.0668 2.0817 2.1373 2.1422 2.1993 2.2038 2.3957 2.3976 2.4318 2.4392 2.5643 2.5649 2.9651 2.9715 3.0288 3.0295 3.7104 3.7383 3.8952 3.9177 3.9578 4.0123 4.0594 4.0841 4.1138 4.1244 4.1554 4.1757 4.3570 4.4247 4.4446 4.4744 4.5268 4.5773 4.6395 4.7061 4.8259 4.8626 4.9905 5.0473 5.8000 5.8230 5.9781 5.9843 6.0061 6.0307 7.8960 7.9019 7.9041 7.9170 8.2867 8.2935 8.5242 8.5247 8.5555 8.5618 11.0348 11.0407 11.7346 11.7375 k = 0.2262 0.5000 0.2262 ( 5870 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6698 -31.6698 -31.6695 -31.6695 -6.9895 -6.9890 -6.5911 -6.5911 -6.3693 -6.3670 -6.3423 -6.3410 0.8490 0.8565 1.0325 1.0357 1.2417 1.2434 1.7805 1.7876 2.0622 2.0769 2.1327 2.1384 2.1943 2.1985 2.4061 2.4083 2.4410 2.4483 2.5479 2.5479 2.9828 2.9880 3.0420 3.0432 3.7040 3.7304 3.8932 3.9128 3.9560 4.0069 4.0683 4.0787 4.1129 4.1248 4.1579 4.1839 4.3644 4.4298 4.4433 4.4820 4.5242 4.5773 4.6286 4.6908 4.8522 4.8846 5.0096 5.0700 5.7561 5.7828 5.9542 5.9572 5.9847 6.0089 7.8799 7.8887 7.8960 7.8970 8.2747 8.2830 8.5034 8.5039 8.5408 8.5473 11.0551 11.0607 11.8094 11.8131 k = 0.2143 0.5000 0.2143 ( 5886 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6698 -31.6698 -31.6694 -31.6694 -7.0062 -7.0056 -6.5963 -6.5963 -6.3582 -6.3560 -6.3331 -6.3318 0.8429 0.8504 1.0395 1.0428 1.2606 1.2628 1.7821 1.7895 2.0588 2.0734 2.1289 2.1352 2.1894 2.1933 2.4166 2.4190 2.4506 2.4576 2.5319 2.5325 3.0018 3.0058 3.0558 3.0575 3.6982 3.7226 3.8905 3.9081 3.9545 4.0010 4.0723 4.0774 4.1123 4.1251 4.1604 4.1924 4.3718 4.4347 4.4404 4.4860 4.5247 4.5718 4.6222 4.6742 4.8799 4.9072 5.0279 5.0917 5.7106 5.7405 5.9317 5.9328 5.9675 5.9903 7.8564 7.8711 7.8850 7.8914 8.2650 8.2747 8.4827 8.4832 8.5264 8.5332 11.0740 11.0792 11.8835 11.8882 k = 0.2024 0.5000 0.2024 ( 5866 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6698 -31.6698 -31.6694 -31.6694 -7.0223 -7.0218 -6.6015 -6.6015 -6.3473 -6.3451 -6.3241 -6.3229 0.8361 0.8435 1.0457 1.0489 1.2782 1.2808 1.7827 1.7904 2.0567 2.0712 2.1260 2.1327 2.1847 2.1884 2.4269 2.4296 2.4604 2.4669 2.5172 2.5185 3.0221 3.0247 3.0702 3.0725 3.6932 3.7152 3.8870 3.9036 3.9535 3.9950 4.0652 4.0864 4.1120 4.1256 4.1631 4.2011 4.3788 4.4363 4.4393 4.4845 4.5302 4.5605 4.6213 4.6570 4.9085 4.9304 5.0454 5.1121 5.6636 5.6964 5.9088 5.9139 5.9538 5.9747 7.8325 7.8480 7.8794 7.8862 8.2574 8.2683 8.4626 8.4629 8.5126 8.5195 11.0914 11.0960 11.9557 11.9622 k = 0.1905 0.5000 0.1905 ( 5874 PWs) bands (ev): -58.0423 -58.0423 -32.4922 -32.4922 -31.6698 -31.6698 -31.6694 -31.6694 -7.0379 -7.0373 -6.6067 -6.6067 -6.3365 -6.3344 -6.3154 -6.3141 0.8285 0.8358 1.0511 1.0542 1.2942 1.2972 1.7826 1.7903 2.0558 2.0703 2.1238 2.1307 2.1802 2.1838 2.4365 2.4395 2.4700 2.4758 2.5044 2.5065 3.0434 3.0447 3.0851 3.0881 3.6887 3.7080 3.8827 3.8992 3.9527 3.9890 4.0575 4.0951 4.1119 4.1260 4.1658 4.2095 4.3845 4.4310 4.4431 4.4788 4.5393 4.5465 4.6238 4.6396 4.9375 4.9538 5.0619 5.1310 5.6156 5.6508 5.8888 5.8976 5.9431 5.9620 7.8087 7.8244 7.8745 7.8814 8.2515 8.2634 8.4433 8.4433 8.4993 8.5062 11.1069 11.1111 12.0225 12.0325 k = 0.1786 0.5000 0.1786 ( 5872 PWs) bands (ev): -58.0423 -58.0423 -32.4921 -32.4921 -31.6697 -31.6697 -31.6693 -31.6693 -7.0527 -7.0522 -6.6118 -6.6118 -6.3260 -6.3239 -6.3069 -6.3057 0.8205 0.8275 1.0557 1.0587 1.3087 1.3120 1.7818 1.7894 2.0564 2.0708 2.1223 2.1292 2.1758 2.1794 2.4442 2.4481 2.4775 2.4830 2.4957 2.4987 3.0656 3.0657 3.1006 3.1043 3.6847 3.7010 3.8776 3.8948 3.9522 3.9835 4.0494 4.1035 4.1120 4.1265 4.1685 4.2176 4.3877 4.4246 4.4452 4.4714 4.5331 4.5504 4.6229 4.6279 4.9664 4.9773 5.0773 5.1482 5.5669 5.6043 5.8718 5.8841 5.9349 5.9518 7.7851 7.8007 7.8701 7.8770 8.2468 8.2593 8.4251 8.4253 8.4867 8.4934 11.1207 11.1242 12.0554 12.0619 k = 0.1667 0.5000 0.1667 ( 5888 PWs) bands (ev): -58.0424 -58.0424 -32.4921 -32.4921 -31.6697 -31.6697 -31.6693 -31.6693 -7.0669 -7.0664 -6.6167 -6.6167 -6.3158 -6.3138 -6.2986 -6.2975 0.8119 0.8187 1.0594 1.0623 1.3216 1.3252 1.7804 1.7878 2.0582 2.0726 2.1215 2.1282 2.1717 2.1753 2.4484 2.4531 2.4789 2.4847 2.4972 2.5003 3.0874 3.0886 3.1167 3.1212 3.6810 3.6940 3.8719 3.8905 3.9519 3.9785 4.0412 4.1112 4.1127 4.1271 4.1710 4.2248 4.3871 4.4169 4.4436 4.4646 4.5232 4.5617 4.6083 4.6329 4.9947 5.0004 5.0917 5.1633 5.5180 5.5572 5.8582 5.8736 5.9288 5.9439 7.7620 7.7774 7.8661 7.8729 8.2426 8.2556 8.4087 8.4092 8.4746 8.4813 11.1325 11.1355 11.9978 12.0052 k = 0.1548 0.5000 0.1548 ( 5878 PWs) bands (ev): -58.0424 -58.0424 -32.4921 -32.4921 -31.6697 -31.6697 -31.6693 -31.6693 -7.0803 -7.0798 -6.6216 -6.6216 -6.3059 -6.3040 -6.2908 -6.2897 0.8031 0.8096 1.0624 1.0652 1.3330 1.3368 1.7785 1.7857 2.0613 2.0757 2.1213 2.1277 2.1677 2.1716 2.4472 2.4513 2.4810 2.4863 2.5051 2.5078 3.1097 3.1119 3.1334 3.1387 3.6774 3.6872 3.8659 3.8864 3.9518 3.9745 4.0330 4.1128 4.1195 4.1279 4.1732 4.2313 4.3825 4.4070 4.4367 4.4598 4.5188 4.5714 4.5988 4.6383 5.0218 5.0230 5.1049 5.1763 5.4693 5.5101 5.8480 5.8663 5.9245 5.9378 7.7398 7.7547 7.8626 7.8692 8.2383 8.2515 8.3948 8.3954 8.4633 8.4698 11.1422 11.1446 11.9242 11.9348 k = 0.1429 0.5000 0.1429 ( 5876 PWs) bands (ev): -58.0424 -58.0424 -32.4921 -32.4921 -31.6697 -31.6697 -31.6692 -31.6692 -7.0928 -7.0924 -6.6262 -6.6262 -6.2965 -6.2947 -6.2833 -6.2823 0.7941 0.8003 1.0647 1.0673 1.3429 1.3467 1.7763 1.7830 2.0655 2.0799 2.1216 2.1275 2.1640 2.1681 2.4417 2.4446 2.4873 2.4912 2.5139 2.5161 3.1324 3.1354 3.1506 3.1569 3.6736 3.6803 3.8598 3.8823 3.9516 3.9716 4.0249 4.1136 4.1268 4.1288 4.1748 4.2365 4.3747 4.3942 4.4262 4.4545 4.5206 4.5744 4.6002 4.6441 5.0447 5.0469 5.1170 5.1866 5.4211 5.4633 5.8414 5.8622 5.9216 5.9332 7.7185 7.7328 7.8594 7.8658 8.2333 8.2463 8.3839 8.3844 8.4528 8.4590 11.1500 11.1517 11.8508 11.8628 k = 0.1310 0.5000 0.1310 ( 5864 PWs) bands (ev): -58.0423 -58.0423 -32.4921 -32.4921 -31.6697 -31.6697 -31.6692 -31.6692 -7.1046 -7.1041 -6.6306 -6.6306 -6.2876 -6.2859 -6.2762 -6.2753 0.7852 0.7910 1.0665 1.0689 1.3513 1.3552 1.7738 1.7800 2.0707 2.0850 2.1224 2.1277 2.1605 2.1648 2.4348 2.4367 2.4950 2.4978 2.5225 2.5243 3.1552 3.1587 3.1683 3.1756 3.6694 3.6733 3.8540 3.8783 3.9512 3.9701 4.0173 4.1146 4.1300 4.1339 4.1753 4.2405 4.3649 4.3789 4.4141 4.4462 4.5276 4.5736 4.6106 4.6501 5.0653 5.0696 5.1280 5.1942 5.3740 5.4173 5.8384 5.8613 5.9199 5.9298 7.6984 7.7120 7.8566 7.8627 8.2273 8.2397 8.3763 8.3766 8.4431 8.4489 11.1556 11.1567 11.7793 11.7920 k = 0.1190 0.5000 0.1190 ( 5866 PWs) bands (ev): -58.0423 -58.0423 -32.4921 -32.4921 -31.6697 -31.6697 -31.6692 -31.6692 -7.1154 -7.1150 -6.6347 -6.6347 -6.2793 -6.2776 -6.2696 -6.2687 0.7764 0.7817 1.0677 1.0699 1.3584 1.3622 1.7711 1.7768 2.0767 2.0909 2.1234 2.1281 2.1572 2.1619 2.4275 2.4290 2.5027 2.5046 2.5305 2.5321 3.1778 3.1813 3.1864 3.1949 3.6645 3.6660 3.8488 3.8744 3.9506 3.9700 4.0100 4.1156 4.1313 4.1407 4.1745 4.2428 4.3540 4.3625 4.4015 4.4344 4.5384 4.5753 4.6236 4.6562 5.0847 5.0893 5.1380 5.1989 5.3285 5.3724 5.8388 5.8634 5.9192 5.9274 7.6796 7.6923 7.8541 7.8599 8.2199 8.2315 8.3720 8.3721 8.4342 8.4396 11.1590 11.1596 11.7111 11.7240 k = 0.1071 0.5000 0.1071 ( 5860 PWs) bands (ev): -58.0423 -58.0423 -32.4921 -32.4921 -31.6697 -31.6697 -31.6692 -31.6692 -7.1253 -7.1250 -6.6386 -6.6385 -6.2715 -6.2700 -6.2635 -6.2627 0.7679 0.7728 1.0684 1.0705 1.3644 1.3680 1.7683 1.7734 2.0833 2.0972 2.1248 2.1288 2.1542 2.1592 2.4207 2.4218 2.5101 2.5112 2.5377 2.5392 3.1998 3.2031 3.2048 3.2145 3.6584 3.6587 3.8447 3.8706 3.9501 3.9713 4.0034 4.1166 4.1330 4.1474 4.1721 4.2435 4.3413 4.3477 4.3890 4.4197 4.5517 4.5804 4.6372 4.6623 5.1025 5.1055 5.1473 5.2005 5.2853 5.3291 5.8425 5.8682 5.9192 5.9257 7.6622 7.6739 7.8520 7.8574 8.2115 8.2219 8.3703 8.3708 8.4261 8.4311 11.1603 11.1603 11.6471 11.6600 k = 0.0952 0.5000 0.0952 ( 5862 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6697 -31.6697 -31.6691 -31.6691 -7.1343 -7.1340 -6.6421 -6.6421 -6.2644 -6.2631 -6.2579 -6.2572 0.7599 0.7643 1.0688 1.0707 1.3692 1.3726 1.7655 1.7700 2.0902 2.1038 2.1263 2.1297 2.1515 2.1567 2.4143 2.4152 2.5169 2.5174 2.5443 2.5457 3.2206 3.2236 3.2238 3.2341 3.6503 3.6519 3.8417 3.8671 3.9497 3.9738 3.9973 4.1170 4.1349 4.1540 4.1681 4.2425 4.3257 4.3371 4.3768 4.4031 4.5667 4.5883 4.6507 4.6681 5.1180 5.1187 5.1560 5.1981 5.2459 5.2878 5.8488 5.8751 5.9197 5.9245 7.6465 7.6571 7.8502 7.8551 8.2024 8.2117 8.3709 8.3717 8.4189 8.4234 11.1589 11.1594 11.5884 11.6011 k = 0.0833 0.5000 0.0833 ( 5854 PWs) bands (ev): -58.0423 -58.0423 -32.4920 -32.4920 -31.6697 -31.6697 -31.6691 -31.6691 -7.1423 -7.1420 -6.6452 -6.6452 -6.2580 -6.2568 -6.2529 -6.2523 0.7525 0.7564 1.0690 1.0706 1.3731 1.3763 1.7628 1.7668 2.0970 2.1102 2.1279 2.1309 2.1491 2.1545 2.4086 2.4094 2.5231 2.5232 2.5500 2.5515 3.2397 3.2428 3.2433 3.2529 3.6420 3.6440 3.8400 3.8638 3.9498 3.9773 3.9919 4.1162 4.1372 4.1607 4.1631 4.2397 4.3097 4.3293 4.3651 4.3859 4.5829 4.5981 4.6639 4.6735 5.1270 5.1332 5.1639 5.1866 5.2166 5.2493 5.8573 5.8834 5.9208 5.9238 7.6324 7.6418 7.8487 7.8531 8.1932 8.2013 8.3732 8.3741 8.4126 8.4165 11.1553 11.1562 11.5362 11.5482 k = 0.0714 0.5000 0.0714 ( 5846 PWs) bands (ev): -58.0423 -58.0423 -32.4920 -32.4920 -31.6697 -31.6697 -31.6691 -31.6691 -7.1492 -7.1490 -6.6480 -6.6480 -6.2524 -6.2513 -6.2485 -6.2479 0.7459 0.7493 1.0689 1.0703 1.3763 1.3791 1.7604 1.7637 2.1036 2.1161 2.1296 2.1323 2.1471 2.1524 2.4035 2.4042 2.5282 2.5286 2.5551 2.5565 3.2575 3.2612 3.2617 3.2705 3.6333 3.6354 3.8395 3.8607 3.9505 3.9820 3.9871 4.1129 4.1399 4.1585 4.1675 4.2353 4.2947 4.3238 4.3534 4.3695 4.5998 4.6092 4.6761 4.6782 5.1330 5.1451 5.1610 5.1695 5.2039 5.2152 5.8670 5.8924 5.9222 5.9234 7.6200 7.6282 7.8474 7.8513 8.1844 8.1912 8.3765 8.3774 8.4073 8.4105 11.1499 11.1510 11.4911 11.5022 k = 0.0595 0.5000 0.0595 ( 5846 PWs) bands (ev): -58.0423 -58.0423 -32.4920 -32.4920 -31.6697 -31.6697 -31.6691 -31.6691 -7.1551 -7.1549 -6.6504 -6.6504 -6.2475 -6.2466 -6.2447 -6.2442 0.7401 0.7429 1.0688 1.0699 1.3788 1.3811 1.7582 1.7609 2.1095 2.1211 2.1314 2.1340 2.1456 2.1505 2.3991 2.3998 2.5326 2.5333 2.5593 2.5608 3.2741 3.2780 3.2785 3.2861 3.6247 3.6263 3.8399 3.8579 3.9518 3.9828 3.9878 4.1058 4.1430 4.1560 4.1741 4.2295 4.2812 4.3204 4.3400 4.3559 4.6169 4.6208 4.6820 4.6868 5.1300 5.1361 5.1577 5.1657 5.1933 5.1969 5.8772 5.9010 5.9233 5.9239 7.6095 7.6164 7.8464 7.8497 8.1763 8.1820 8.3802 8.3809 8.4028 8.4053 11.1430 11.1441 11.4539 11.4636 k = 0.0476 0.5000 0.0476 ( 5858 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6697 -31.6697 -31.6691 -31.6691 -7.1600 -7.1598 -6.6524 -6.6524 -6.2435 -6.2428 -6.2415 -6.2412 0.7353 0.7375 1.0686 1.0695 1.3806 1.3826 1.7563 1.7585 2.1145 2.1248 2.1333 2.1359 2.1447 2.1488 2.3954 2.3961 2.5362 2.5371 2.5628 2.5641 3.2892 3.2925 3.2935 3.2994 3.6164 3.6175 3.8409 3.8554 3.9537 3.9789 3.9950 4.0950 4.1465 4.1559 4.1805 4.2229 4.2701 4.3187 4.3246 4.3461 4.6324 4.6337 4.6844 4.6952 5.1050 5.1311 5.1515 5.1656 5.1909 5.1913 5.8870 5.9083 5.9238 5.9257 7.6010 7.6065 7.8457 7.8483 8.1694 8.1739 8.3839 8.3843 8.3994 8.4010 11.1352 11.1362 11.4247 11.4328 k = 0.0357 0.5000 0.0357 ( 5878 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6697 -31.6697 -31.6691 -31.6691 -7.1638 -7.1637 -6.6539 -6.6539 -6.2404 -6.2399 -6.2390 -6.2387 0.7315 0.7332 1.0684 1.0691 1.3821 1.3835 1.7548 1.7565 2.1185 2.1267 2.1353 2.1380 2.1444 2.1472 2.3926 2.3931 2.5392 2.5400 2.5656 2.5667 3.3022 3.3045 3.3059 3.3099 3.6088 3.6094 3.8423 3.8531 3.9562 3.9752 4.0035 4.0817 4.1503 4.1575 4.1860 4.2157 4.2624 4.3087 4.3185 4.3389 4.6435 4.6495 4.6857 4.7008 5.0852 5.1118 5.1495 5.1699 5.1880 5.1929 5.8956 5.9128 5.9255 5.9277 7.5944 7.5986 7.8452 7.8472 8.1639 8.1673 8.3869 8.3871 8.3970 8.3976 11.1275 11.1283 11.4031 11.4093 k = 0.0238 0.5000 0.0238 ( 5878 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6697 -31.6697 -31.6691 -31.6691 -7.1665 -7.1664 -6.6551 -6.6551 -6.2382 -6.2378 -6.2371 -6.2369 0.7288 0.7299 1.0682 1.0687 1.3831 1.3841 1.7538 1.7549 2.1216 2.1273 2.1372 2.1397 2.1446 2.1459 2.3905 2.3909 2.5414 2.5420 2.5677 2.5685 3.3125 3.3137 3.3153 3.3173 3.6028 3.6030 3.8440 3.8511 3.9590 3.9718 4.0137 4.0672 4.1543 4.1595 4.1904 4.2087 4.2595 4.2936 4.3196 4.3331 4.6536 4.6627 4.6864 4.7028 5.0721 5.0921 5.1519 5.1687 5.1887 5.1944 5.9026 5.9142 5.9283 5.9297 7.5898 7.5927 7.8449 7.8463 8.1599 8.1622 8.3886 8.3895 8.3954 8.3957 11.1210 11.1215 11.3887 11.3929 k = 0.0119 0.5000 0.0119 ( 5874 PWs) bands (ev): -58.0424 -58.0424 -32.4920 -32.4920 -31.6697 -31.6697 -31.6691 -31.6691 -7.1682 -7.1681 -6.6557 -6.6557 -6.2368 -6.2367 -6.2359 -6.2358 0.7273 0.7279 1.0682 1.0684 1.3838 1.3843 1.7533 1.7539 2.1239 2.1268 2.1389 2.1406 2.1449 2.1451 2.3893 2.3895 2.5428 2.5431 2.5690 2.5694 3.3193 3.3197 3.3209 3.3215 3.5989 3.5989 3.8457 3.8492 3.9621 3.9685 4.0254 4.0526 4.1578 4.1607 4.1938 4.2025 4.2620 4.2801 4.3217 4.3284 4.6621 4.6696 4.6894 4.7010 5.0664 5.0771 5.1554 5.1644 5.1914 5.1947 5.9078 5.9135 5.9306 5.9312 7.5874 7.5888 7.8449 7.8456 8.1578 8.1589 8.3895 8.3904 8.3946 8.3952 11.1166 11.1169 11.3808 11.3829 k = 0.0000 0.5000-0.0000 ( 5846 PWs) bands (ev): -58.0423 -58.0423 -32.4920 -32.4920 -31.6697 -31.6697 -31.6691 -31.6691 -7.1687 -7.1687 -6.6559 -6.6559 -6.2363 -6.2363 -6.2355 -6.2355 0.7270 0.7270 1.0683 1.0683 1.3842 1.3842 1.7534 1.7534 2.1256 2.1256 2.1403 2.1403 2.1450 2.1450 2.3890 2.3890 2.5434 2.5434 2.5696 2.5696 3.3222 3.3222 3.3223 3.3223 3.5975 3.5975 3.8475 3.8475 3.9654 3.9654 4.0385 4.0385 4.1603 4.1603 4.1975 4.1975 4.2693 4.2693 4.3247 4.3247 4.6682 4.6682 4.6957 4.6957 5.0682 5.0682 5.1597 5.1597 5.1937 5.1937 5.9114 5.9114 5.9316 5.9316 7.5871 7.5871 7.8452 7.8452 8.1574 8.1574 8.3901 8.3901 8.3949 8.3949 11.1152 11.1152 11.3789 11.3789 k = 0.5000 0.5000-0.0000 ( 5856 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6700 -31.6700 -31.6694 -31.6694 -6.8722 -6.8722 -6.5540 -6.5540 -6.5462 -6.5462 -6.3339 -6.3339 1.0819 1.0819 1.0908 1.0908 1.1333 1.1333 1.9938 1.9938 2.1029 2.1029 2.1187 2.1187 2.1475 2.1475 2.1612 2.1612 2.4790 2.4790 2.6161 2.6161 2.8075 2.8075 2.8223 2.8223 3.7354 3.7354 3.9313 3.9313 3.9562 3.9562 4.0684 4.0684 4.1327 4.1327 4.2819 4.2819 4.3205 4.3205 4.6523 4.6523 4.6650 4.6650 4.7342 4.7342 4.7940 4.7940 4.8874 4.8874 5.5659 5.5659 5.5867 5.5867 6.3622 6.3622 7.8027 7.8027 8.0159 8.0159 8.1665 8.1665 8.5828 8.5828 8.5899 8.5899 11.6810 11.6810 11.6851 11.6851 k = 0.5000 0.5000 0.0167 ( 5868 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6700 -31.6700 -31.6694 -31.6694 -6.8718 -6.8718 -6.5539 -6.5539 -6.5462 -6.5462 -6.3342 -6.3342 1.0811 1.0811 1.0901 1.0901 1.1324 1.1324 1.9910 1.9910 2.1044 2.1044 2.1191 2.1191 2.1480 2.1480 2.1617 2.1617 2.4787 2.4787 2.6173 2.6173 2.8076 2.8076 2.8225 2.8225 3.7357 3.7357 3.9315 3.9315 3.9559 3.9559 4.0686 4.0686 4.1328 4.1328 4.2808 4.2808 4.3196 4.3196 4.6513 4.6513 4.6648 4.6648 4.7342 4.7342 4.7933 4.7933 4.8874 4.8874 5.5680 5.5680 5.5899 5.5899 6.3627 6.3627 7.8018 7.8018 8.0188 8.0188 8.1664 8.1664 8.5834 8.5834 8.5905 8.5905 11.6785 11.6785 11.6826 11.6826 k = 0.5000 0.5000 0.0333 ( 5876 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6700 -31.6700 -31.6694 -31.6694 -6.8706 -6.8706 -6.5538 -6.5538 -6.5461 -6.5461 -6.3351 -6.3351 1.0789 1.0789 1.0878 1.0878 1.1299 1.1299 1.9833 1.9833 2.1085 2.1085 2.1202 2.1202 2.1494 2.1494 2.1629 2.1629 2.4779 2.4779 2.6209 2.6209 2.8080 2.8080 2.8229 2.8229 3.7370 3.7370 3.9322 3.9322 3.9549 3.9549 4.0692 4.0692 4.1333 4.1333 4.2774 4.2774 4.3167 4.3167 4.6487 4.6487 4.6641 4.6641 4.7341 4.7341 4.7915 4.7915 4.8877 4.8877 5.5745 5.5745 5.5993 5.5993 6.3640 6.3640 7.7995 7.7995 8.0275 8.0275 8.1661 8.1661 8.5851 8.5851 8.5922 8.5922 11.6710 11.6710 11.6749 11.6749 k = 0.5000 0.5000 0.0500 ( 5876 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6700 -31.6700 -31.6694 -31.6694 -6.8686 -6.8686 -6.5535 -6.5535 -6.5459 -6.5459 -6.3366 -6.3366 1.0752 1.0752 1.0841 1.0841 1.1257 1.1257 1.9717 1.9717 2.1136 2.1136 2.1228 2.1228 2.1517 2.1517 2.1650 2.1650 2.4766 2.4766 2.6268 2.6268 2.8087 2.8087 2.8238 2.8238 3.7390 3.7390 3.9334 3.9334 3.9533 3.9533 4.0701 4.0701 4.1340 4.1340 4.2720 4.2720 4.3122 4.3122 4.6449 4.6449 4.6627 4.6627 4.7337 4.7337 4.7886 4.7886 4.8880 4.8880 5.5857 5.5857 5.6142 5.6142 6.3662 6.3662 7.7963 7.7963 8.0414 8.0414 8.1657 8.1657 8.5880 8.5880 8.5950 8.5950 11.6584 11.6584 11.6623 11.6623 k = 0.5000 0.5000 0.0667 ( 5884 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6700 -31.6700 -31.6694 -31.6694 -6.8658 -6.8658 -6.5532 -6.5532 -6.5456 -6.5456 -6.3387 -6.3387 1.0701 1.0701 1.0790 1.0790 1.1198 1.1198 1.9574 1.9574 2.1179 2.1179 2.1275 2.1275 2.1549 2.1549 2.1680 2.1680 2.4747 2.4747 2.6347 2.6347 2.8096 2.8096 2.8249 2.8249 3.7419 3.7419 3.9350 3.9350 3.9512 3.9512 4.0714 4.0714 4.1350 4.1350 4.2648 4.2648 4.3061 4.3061 4.6400 4.6400 4.6606 4.6606 4.7327 4.7327 4.7846 4.7846 4.8881 4.8881 5.6017 5.6017 5.6342 5.6342 6.3692 6.3692 7.7929 7.7929 8.0595 8.0595 8.1653 8.1653 8.5919 8.5919 8.5988 8.5988 11.6410 11.6410 11.6446 11.6446 k = 0.5000 0.5000 0.0833 ( 5892 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6700 -31.6700 -31.6694 -31.6694 -6.8622 -6.8622 -6.5528 -6.5528 -6.5452 -6.5452 -6.3414 -6.3414 1.0636 1.0636 1.0726 1.0726 1.1125 1.1125 1.9411 1.9411 2.1212 2.1212 2.1341 2.1341 2.1588 2.1588 2.1717 2.1717 2.4724 2.4724 2.6444 2.6444 2.8108 2.8108 2.8263 2.8263 3.7455 3.7455 3.9371 3.9371 3.9485 3.9485 4.0729 4.0729 4.1363 4.1363 4.2561 4.2561 4.2989 4.2989 4.6342 4.6342 4.6577 4.6577 4.7308 4.7308 4.7797 4.7797 4.8880 4.8880 5.6226 5.6226 5.6588 5.6588 6.3730 6.3730 7.7901 7.7901 8.0811 8.0811 8.1648 8.1648 8.5968 8.5968 8.6036 8.6036 11.6186 11.6186 11.6219 11.6219 k = 0.5000 0.5000 0.1000 ( 5876 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6700 -31.6700 -31.6694 -31.6694 -6.8579 -6.8579 -6.5523 -6.5523 -6.5448 -6.5448 -6.3447 -6.3447 1.0560 1.0560 1.0649 1.0649 1.1037 1.1037 1.9235 1.9235 2.1242 2.1242 2.1415 2.1415 2.1635 2.1635 2.1762 2.1762 2.4696 2.4696 2.6556 2.6556 2.8123 2.8123 2.8281 2.8281 3.7500 3.7500 3.9396 3.9396 3.9454 3.9454 4.0745 4.0745 4.1378 4.1378 4.2462 4.2462 4.2911 4.2911 4.6279 4.6279 4.6542 4.6542 4.7278 4.7278 4.7740 4.7740 4.8876 4.8876 5.6483 5.6483 5.6875 5.6875 6.3776 6.3776 7.7883 7.7883 8.1053 8.1053 8.1647 8.1647 8.6027 8.6027 8.6093 8.6093 11.5914 11.5914 11.5944 11.5944 k = 0.5000 0.5000 0.1167 ( 5892 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6700 -31.6700 -31.6694 -31.6694 -6.8528 -6.8528 -6.5517 -6.5517 -6.5442 -6.5442 -6.3485 -6.3485 1.0472 1.0472 1.0561 1.0561 1.0935 1.0935 1.9050 1.9050 2.1274 2.1274 2.1491 2.1491 2.1688 2.1688 2.1814 2.1814 2.4663 2.4663 2.6680 2.6680 2.8139 2.8139 2.8301 2.8301 3.7549 3.7549 3.9414 3.9414 3.9428 3.9428 4.0761 4.0761 4.1393 4.1393 4.2353 4.2353 4.2830 4.2830 4.6209 4.6209 4.6500 4.6500 4.7233 4.7233 4.7675 4.7675 4.8864 4.8864 5.6782 5.6782 5.7200 5.7200 6.3829 6.3829 7.7880 7.7880 8.1301 8.1301 8.1664 8.1664 8.6094 8.6094 8.6159 8.6159 11.5596 11.5596 11.5622 11.5622 k = 0.5000 0.5000 0.1333 ( 5884 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6700 -31.6700 -31.6695 -31.6695 -6.8470 -6.8470 -6.5510 -6.5510 -6.5437 -6.5437 -6.3529 -6.3529 1.0375 1.0375 1.0464 1.0464 1.0822 1.0822 1.8859 1.8859 2.1309 2.1309 2.1566 2.1566 2.1746 2.1746 2.1873 2.1873 2.4626 2.4626 2.6813 2.6813 2.8158 2.8158 2.8323 2.8323 3.7606 3.7606 3.9377 3.9377 3.9459 3.9459 4.0777 4.0777 4.1407 4.1407 4.2239 4.2239 4.2752 4.2752 4.6134 4.6134 4.6454 4.6454 4.7174 4.7174 4.7605 4.7605 4.8845 4.8845 5.7122 5.7122 5.7557 5.7557 6.3889 6.3889 7.7895 7.7895 8.1479 8.1479 8.1771 8.1771 8.6168 8.6168 8.6231 8.6231 11.5234 11.5234 11.5257 11.5257 k = 0.5000 0.5000 0.1500 ( 5876 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6700 -31.6700 -31.6695 -31.6695 -6.8405 -6.8405 -6.5503 -6.5503 -6.5430 -6.5430 -6.3579 -6.3579 1.0269 1.0269 1.0357 1.0357 1.0698 1.0698 1.8664 1.8664 2.1347 2.1347 2.1641 2.1641 2.1808 2.1808 2.1938 2.1938 2.4584 2.4584 2.6952 2.6952 2.8179 2.8179 2.8348 2.8348 3.7668 3.7668 3.9335 3.9335 3.9495 3.9495 4.0792 4.0792 4.1420 4.1420 4.2120 4.2120 4.2684 4.2684 4.6052 4.6052 4.6403 4.6403 4.7101 4.7101 4.7531 4.7531 4.8816 4.8816 5.7498 5.7498 5.7944 5.7944 6.3955 6.3955 7.7931 7.7931 8.1524 8.1524 8.2028 8.2028 8.6249 8.6249 8.6310 8.6310 11.4833 11.4833 11.4852 11.4852 k = 0.5000 0.5000 0.1667 ( 5900 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6700 -31.6700 -31.6695 -31.6695 -6.8334 -6.8334 -6.5495 -6.5495 -6.5424 -6.5424 -6.3635 -6.3635 1.0156 1.0156 1.0244 1.0244 1.0565 1.0565 1.8468 1.8468 2.1389 2.1389 2.1716 2.1716 2.1873 2.1873 2.2009 2.2009 2.4538 2.4538 2.7093 2.7093 2.8201 2.8201 2.8375 2.8375 3.7734 3.7734 3.9291 3.9291 3.9533 3.9533 4.0805 4.0805 4.1426 4.1426 4.1999 4.1999 4.2629 4.2629 4.5966 4.5966 4.6348 4.6348 4.7014 4.7014 4.7451 4.7451 4.8776 4.8776 5.7904 5.7904 5.8356 5.8356 6.4026 6.4026 7.7988 7.7988 8.1523 8.1523 8.2343 8.2343 8.6334 8.6334 8.6393 8.6393 11.4397 11.4397 11.4412 11.4412 k = 0.5000 0.5000 0.1833 ( 5872 PWs) bands (ev): -58.0423 -58.0423 -32.4923 -32.4923 -31.6700 -31.6700 -31.6696 -31.6696 -6.8255 -6.8255 -6.5486 -6.5486 -6.5416 -6.5416 -6.3696 -6.3696 1.0037 1.0037 1.0124 1.0124 1.0425 1.0425 1.8272 1.8272 2.1435 2.1435 2.1791 2.1791 2.1941 2.1941 2.2086 2.2086 2.4488 2.4488 2.7235 2.7235 2.8225 2.8225 2.8404 2.8404 3.7804 3.7804 3.9247 3.9247 3.9574 3.9574 4.0816 4.0816 4.1426 4.1426 4.1882 4.1882 4.2594 4.2594 4.5875 4.5875 4.6292 4.6292 4.6916 4.6916 4.7369 4.7369 4.8725 4.8725 5.8337 5.8337 5.8790 5.8790 6.4101 6.4101 7.8068 7.8068 8.1511 8.1511 8.2680 8.2680 8.6422 8.6422 8.6480 8.6480 11.3930 11.3930 11.3943 11.3943 k = 0.5000 0.5000 0.2000 ( 5880 PWs) bands (ev): -58.0423 -58.0423 -32.4924 -32.4924 -31.6700 -31.6700 -31.6696 -31.6696 -6.8170 -6.8170 -6.5478 -6.5478 -6.5409 -6.5409 -6.3763 -6.3763 0.9914 0.9914 1.0000 1.0000 1.0279 1.0279 1.8078 1.8078 2.1485 2.1485 2.1866 2.1866 2.2009 2.2009 2.2165 2.2165 2.4434 2.4434 2.7375 2.7375 2.8250 2.8250 2.8434 2.8434 3.7874 3.7874 3.9204 3.9204 3.9616 3.9616 4.0823 4.0823 4.1416 4.1416 4.1769 4.1769 4.2579 4.2579 4.5779 4.5779 4.6233 4.6233 4.6807 4.6807 4.7283 4.7283 4.8659 4.8659 5.8791 5.8791 5.9240 5.9240 6.4180 6.4180 7.8171 7.8171 8.1494 8.1494 8.3029 8.3029 8.6513 8.6513 8.6568 8.6568 11.3438 11.3438 11.3451 11.3451 k = 0.5000 0.5000 0.2167 ( 5876 PWs) bands (ev): -58.0423 -58.0423 -32.4924 -32.4924 -31.6700 -31.6700 -31.6696 -31.6696 -6.8080 -6.8080 -6.5468 -6.5468 -6.5401 -6.5401 -6.3834 -6.3834 0.9788 0.9788 0.9874 0.9874 1.0129 1.0129 1.7887 1.7887 2.1538 2.1538 2.1942 2.1942 2.2079 2.2079 2.2248 2.2248 2.4376 2.4376 2.7511 2.7511 2.8276 2.8276 2.8465 2.8465 3.7943 3.7943 3.9166 3.9166 3.9660 3.9660 4.0825 4.0825 4.1393 4.1393 4.1667 4.1667 4.2588 4.2588 4.5681 4.5681 4.6174 4.6174 4.6690 4.6690 4.7195 4.7195 4.8580 4.8580 5.9261 5.9261 5.9704 5.9704 6.4262 6.4262 7.8297 7.8297 8.1474 8.1474 8.3386 8.3386 8.6603 8.6603 8.6657 8.6657 11.2927 11.2927 11.2942 11.2942 k = 0.5000 0.5000 0.2333 ( 5860 PWs) bands (ev): -58.0423 -58.0423 -32.4924 -32.4924 -31.6700 -31.6700 -31.6696 -31.6696 -6.7984 -6.7984 -6.5459 -6.5459 -6.5393 -6.5393 -6.3911 -6.3911 0.9661 0.9661 0.9746 0.9746 0.9978 0.9978 1.7700 1.7700 2.1595 2.1595 2.2019 2.2019 2.2150 2.2150 2.2333 2.2333 2.4315 2.4315 2.7641 2.7641 2.8303 2.8303 2.8498 2.8498 3.8007 3.8007 3.9135 3.9135 3.9705 3.9705 4.0823 4.0823 4.1355 4.1355 4.1583 4.1583 4.2619 4.2619 4.5579 4.5579 4.6114 4.6114 4.6566 4.6566 4.7105 4.7105 4.8486 4.8486 5.9743 5.9743 6.0176 6.0176 6.4346 6.4346 7.8444 7.8444 8.1453 8.1453 8.3746 8.3746 8.6693 8.6693 8.6745 8.6745 11.2405 11.2405 11.2423 11.2423 k = 0.5000 0.5000 0.2500 ( 5884 PWs) bands (ev): -58.0423 -58.0423 -32.4924 -32.4924 -31.6700 -31.6700 -31.6697 -31.6697 -6.7883 -6.7883 -6.5450 -6.5450 -6.5385 -6.5385 -6.3993 -6.3993 0.9533 0.9533 0.9618 0.9618 0.9826 0.9826 1.7518 1.7518 2.1654 2.1654 2.2097 2.2097 2.2219 2.2219 2.2417 2.2417 2.4250 2.4250 2.7764 2.7764 2.8330 2.8330 2.8531 2.8531 3.8062 3.8062 3.9113 3.9113 3.9749 3.9749 4.0812 4.0812 4.1303 4.1303 4.1519 4.1519 4.2671 4.2671 4.5476 4.5476 4.6055 4.6055 4.6438 4.6438 4.7012 4.7012 4.8377 4.8377 6.0231 6.0231 6.0652 6.0652 6.4431 6.4431 7.8611 7.8611 8.1431 8.1431 8.4106 8.4106 8.6780 8.6780 8.6830 8.6830 11.1877 11.1877 11.1899 11.1899 k = 0.5000 0.5000 0.2667 ( 5868 PWs) bands (ev): -58.0423 -58.0423 -32.4924 -32.4924 -31.6700 -31.6700 -31.6697 -31.6697 -6.7777 -6.7777 -6.5440 -6.5440 -6.5377 -6.5377 -6.4080 -6.4080 0.9407 0.9407 0.9491 0.9491 0.9676 0.9676 1.7342 1.7342 2.1718 2.1718 2.2175 2.2175 2.2287 2.2287 2.2502 2.2502 2.4184 2.4184 2.7879 2.7879 2.8358 2.8358 2.8565 2.8565 3.8106 3.8106 3.9105 3.9105 3.9792 3.9792 4.0791 4.0791 4.1247 4.1247 4.1473 4.1473 4.2742 4.2742 4.5373 4.5373 4.5998 4.5998 4.6308 4.6308 4.6918 4.6918 4.8253 4.8253 6.0721 6.0721 6.1129 6.1129 6.4516 6.4516 7.8797 7.8797 8.1409 8.1409 8.4462 8.4462 8.6863 8.6863 8.6911 8.6911 11.1351 11.1351 11.1377 11.1377 k = 0.5000 0.5000 0.2833 ( 5884 PWs) bands (ev): -58.0423 -58.0423 -32.4924 -32.4924 -31.6700 -31.6700 -31.6697 -31.6697 -6.7667 -6.7667 -6.5431 -6.5431 -6.5369 -6.5369 -6.4171 -6.4171 0.9283 0.9283 0.9367 0.9367 0.9529 0.9529 1.7173 1.7173 2.1783 2.1783 2.2254 2.2254 2.2353 2.2353 2.2585 2.2585 2.4113 2.4113 2.7985 2.7985 2.8385 2.8385 2.8598 2.8598 3.8136 3.8136 3.9114 3.9114 3.9834 3.9834 4.0757 4.0757 4.1197 4.1197 4.1437 4.1437 4.2829 4.2829 4.5270 4.5270 4.5941 4.5941 4.6179 4.6179 4.6823 4.6823 4.8114 4.8114 6.1207 6.1207 6.1601 6.1601 6.4601 6.4601 7.8998 7.8998 8.1386 8.1386 8.4811 8.4811 8.6941 8.6941 8.6987 8.6987 11.0832 11.0832 11.0864 11.0864 k = 0.5000 0.5000 0.3000 ( 5876 PWs) bands (ev): -58.0423 -58.0423 -32.4924 -32.4924 -31.6700 -31.6700 -31.6698 -31.6698 -6.7553 -6.7553 -6.5421 -6.5421 -6.5361 -6.5361 -6.4266 -6.4266 0.9164 0.9164 0.9247 0.9247 0.9387 0.9387 1.7013 1.7013 2.1852 2.1852 2.2332 2.2332 2.2417 2.2417 2.2666 2.2666 2.4042 2.4042 2.8082 2.8082 2.8412 2.8412 2.8632 2.8632 3.8150 3.8150 3.9140 3.9140 3.9874 3.9874 4.0710 4.0710 4.1161 4.1161 4.1409 4.1409 4.2932 4.2932 4.5170 4.5170 4.5885 4.5885 4.6055 4.6055 4.6728 4.6728 4.7962 4.7962 6.1686 6.1686 6.2064 6.2064 6.4684 6.4684 7.9213 7.9213 8.1364 8.1364 8.5150 8.5150 8.7013 8.7013 8.7058 8.7058 11.0328 11.0328 11.0363 11.0363 k = 0.5000 0.5000 0.3167 ( 5876 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6698 -31.6698 -6.7436 -6.7436 -6.5413 -6.5413 -6.5354 -6.5354 -6.4364 -6.4364 0.9049 0.9049 0.9132 0.9132 0.9251 0.9251 1.6862 1.6862 2.1922 2.1922 2.2410 2.2410 2.2477 2.2477 2.2744 2.2744 2.3968 2.3968 2.8170 2.8170 2.8438 2.8438 2.8665 2.8665 3.8149 3.8149 3.9182 3.9182 3.9912 3.9912 4.0651 4.0651 4.1139 4.1139 4.1386 4.1386 4.3048 4.3048 4.5073 4.5073 4.5823 4.5823 4.5943 4.5943 4.6634 4.6634 4.7797 4.7797 6.2151 6.2151 6.2514 6.2514 6.4766 6.4766 7.9437 7.9437 8.1341 8.1341 8.5475 8.5475 8.7078 8.7078 8.7121 8.7121 10.9843 10.9843 10.9883 10.9883 k = 0.5000 0.5000 0.3333 ( 5868 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6698 -31.6698 -6.7316 -6.7316 -6.5404 -6.5404 -6.5346 -6.5346 -6.4466 -6.4466 0.8939 0.8939 0.9023 0.9023 0.9123 0.9123 1.6720 1.6720 2.1995 2.1995 2.2485 2.2485 2.2533 2.2533 2.2817 2.2817 2.3893 2.3893 2.8248 2.8248 2.8463 2.8463 2.8697 2.8697 3.8138 3.8138 3.9238 3.9238 3.9947 3.9947 4.0586 4.0586 4.1129 4.1129 4.1366 4.1366 4.3176 4.3176 4.4980 4.4980 4.5743 4.5743 4.5859 4.5859 4.6541 4.6541 4.7620 4.7620 6.2599 6.2599 6.2945 6.2945 6.4845 6.4845 7.9666 7.9666 8.1320 8.1320 8.5782 8.5782 8.7135 8.7135 8.7176 8.7176 10.9383 10.9383 10.9426 10.9426 k = 0.5000 0.5000 0.3500 ( 5868 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6698 -31.6698 -6.7195 -6.7195 -6.5396 -6.5396 -6.5340 -6.5340 -6.4571 -6.4571 0.8837 0.8837 0.8922 0.8922 0.9004 0.9004 1.6590 1.6590 2.2069 2.2069 2.2558 2.2558 2.2585 2.2585 2.2885 2.2885 2.3818 2.3818 2.8316 2.8316 2.8486 2.8486 2.8728 2.8728 3.8118 3.8118 3.9303 3.9303 3.9978 3.9978 4.0517 4.0517 4.1127 4.1127 4.1349 4.1349 4.3315 4.3315 4.4894 4.4894 4.5646 4.5646 4.5805 4.5805 4.6450 4.6450 4.7433 4.7433 6.3024 6.3024 6.3352 6.3352 6.4920 6.4920 7.9897 7.9897 8.1299 8.1299 8.6068 8.6068 8.7184 8.7184 8.7224 8.7224 10.8953 10.8953 10.8999 10.8999 k = 0.5000 0.5000 0.3667 ( 5876 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6699 -31.6699 -6.7074 -6.7074 -6.5389 -6.5389 -6.5334 -6.5334 -6.4678 -6.4678 0.8742 0.8742 0.8829 0.8829 0.8895 0.8895 1.6471 1.6471 2.2144 2.2144 2.2624 2.2624 2.2634 2.2634 2.2947 2.2947 2.3742 2.3742 2.8376 2.8376 2.8508 2.8508 2.8757 2.8757 3.8093 3.8093 3.9373 3.9373 4.0006 4.0006 4.0448 4.0448 4.1131 4.1131 4.1334 4.1334 4.3463 4.3463 4.4815 4.4815 4.5546 4.5546 4.5768 4.5768 4.6361 4.6361 4.7237 4.7237 6.3421 6.3421 6.3730 6.3730 6.4993 6.4993 8.0125 8.0125 8.1280 8.1280 8.6330 8.6330 8.7225 8.7225 8.7263 8.7263 10.8556 10.8556 10.8604 10.8604 k = 0.5000 0.5000 0.3833 ( 5880 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6699 -31.6699 -6.6952 -6.6952 -6.5382 -6.5382 -6.5328 -6.5328 -6.4785 -6.4785 0.8656 0.8656 0.8745 0.8745 0.8798 0.8798 1.6364 1.6364 2.2220 2.2220 2.2669 2.2669 2.2696 2.2696 2.3002 2.3002 2.3668 2.3668 2.8427 2.8427 2.8528 2.8528 2.8784 2.8784 3.8067 3.8067 3.9447 3.9447 4.0030 4.0030 4.0381 4.0381 4.1138 4.1138 4.1320 4.1320 4.3619 4.3619 4.4743 4.4743 4.5454 4.5454 4.5741 4.5741 4.6276 4.6276 4.7034 4.7034 6.3786 6.3786 6.4073 6.4073 6.5063 6.5063 8.0343 8.0343 8.1263 8.1263 8.6565 8.6565 8.7259 8.7259 8.7295 8.7295 10.8197 10.8197 10.8247 10.8247 k = 0.5000 0.5000 0.4000 ( 5892 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6699 -31.6699 -6.6833 -6.6833 -6.5376 -6.5376 -6.5323 -6.5323 -6.4892 -6.4892 0.8579 0.8579 0.8671 0.8671 0.8712 0.8712 1.6270 1.6270 2.2296 2.2296 2.2701 2.2701 2.2757 2.2757 2.3048 2.3048 2.3597 2.3597 2.8469 2.8469 2.8546 2.8546 2.8808 2.8808 3.8040 3.8040 3.9522 3.9522 4.0050 4.0050 4.0315 4.0315 4.1147 4.1147 4.1306 4.1306 4.3778 4.3778 4.4680 4.4680 4.5375 4.5375 4.5722 4.5722 4.6196 4.6196 4.6827 4.6827 6.4113 6.4113 6.4374 6.4374 6.5132 6.5132 8.0548 8.0548 8.1247 8.1247 8.6772 8.6772 8.7285 8.7285 8.7320 8.7320 10.7880 10.7880 10.7930 10.7930 k = 0.5000 0.5000 0.4167 ( 5884 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6699 -31.6699 -6.6717 -6.6717 -6.5372 -6.5372 -6.5319 -6.5319 -6.4997 -6.4997 0.8512 0.8512 0.8607 0.8607 0.8638 0.8638 1.6189 1.6189 2.2372 2.2372 2.2726 2.2726 2.2814 2.2814 2.3083 2.3083 2.3531 2.3531 2.8505 2.8505 2.8561 2.8561 2.8830 2.8830 3.8016 3.8016 3.9597 3.9597 4.0066 4.0066 4.0251 4.0251 4.1159 4.1159 4.1293 4.1293 4.3938 4.3938 4.4627 4.4627 4.5312 4.5312 4.5711 4.5711 4.6121 4.6121 4.6620 4.6620 6.4399 6.4399 6.4625 6.4625 6.5204 6.5204 8.0733 8.0733 8.1233 8.1233 8.6948 8.6948 8.7305 8.7305 8.7339 8.7339 10.7606 10.7606 10.7655 10.7655 k = 0.5000 0.5000 0.4333 ( 5876 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6699 -31.6699 -6.6608 -6.6608 -6.5368 -6.5368 -6.5315 -6.5315 -6.5095 -6.5095 0.8456 0.8456 0.8554 0.8554 0.8577 0.8577 1.6123 1.6123 2.2446 2.2446 2.2742 2.2742 2.2866 2.2866 2.3105 2.3105 2.3474 2.3474 2.8533 2.8533 2.8574 2.8574 2.8848 2.8848 3.7995 3.7995 3.9670 3.9670 4.0080 4.0080 4.0189 4.0189 4.1173 4.1173 4.1281 4.1281 4.4092 4.4092 4.4582 4.4582 4.5270 4.5270 4.5706 4.5706 4.6052 4.6052 4.6416 4.6416 6.4639 6.4639 6.4818 6.4818 6.5282 6.5282 8.0893 8.0893 8.1222 8.1222 8.7092 8.7092 8.7319 8.7319 8.7352 8.7352 10.7379 10.7379 10.7422 10.7422 k = 0.5000 0.5000 0.4500 ( 5888 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6700 -31.6700 -6.6511 -6.6511 -6.5367 -6.5367 -6.5312 -6.5312 -6.5184 -6.5184 0.8412 0.8412 0.8513 0.8513 0.8529 0.8529 1.6071 1.6071 2.2516 2.2516 2.2746 2.2746 2.2914 2.2914 2.3110 2.3110 2.3429 2.3429 2.8556 2.8556 2.8583 2.8583 2.8861 2.8861 3.7978 3.7978 3.9740 3.9740 4.0086 4.0086 4.0131 4.0131 4.1186 4.1186 4.1267 4.1267 4.4231 4.4231 4.4546 4.4546 4.5255 4.5255 4.5705 4.5705 4.5990 4.5990 4.6223 4.6223 6.4829 6.4829 6.4949 6.4949 6.5365 6.5365 8.1024 8.1024 8.1212 8.1212 8.7203 8.7203 8.7329 8.7329 8.7362 8.7362 10.7201 10.7201 10.7234 10.7234 k = 0.5000 0.5000 0.4667 ( 5888 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6700 -31.6700 -6.6431 -6.6431 -6.5369 -6.5369 -6.5310 -6.5310 -6.5254 -6.5254 0.8380 0.8380 0.8485 0.8485 0.8495 0.8495 1.6033 1.6033 2.2581 2.2581 2.2739 2.2739 2.2958 2.2958 2.3098 2.3098 2.3400 2.3400 2.8572 2.8572 2.8589 2.8589 2.8872 2.8872 3.7965 3.7965 3.9809 3.9809 4.0059 4.0059 4.0104 4.0104 4.1199 4.1199 4.1254 4.1254 4.4344 4.4344 4.4519 4.4519 4.5272 4.5272 4.5704 4.5704 4.5937 4.5937 4.6055 4.6055 6.4968 6.4968 6.5027 6.5027 6.5443 6.5443 8.1121 8.1121 8.1206 8.1206 8.7282 8.7282 8.7336 8.7336 8.7370 8.7370 10.7072 10.7072 10.7091 10.7091 k = 0.5000 0.5000 0.4833 ( 5904 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6700 -31.6700 -6.6378 -6.6378 -6.5376 -6.5376 -6.5309 -6.5309 -6.5296 -6.5296 0.8361 0.8361 0.8468 0.8468 0.8473 0.8473 1.6011 1.6011 2.2637 2.2637 2.2718 2.2718 2.2999 2.2999 2.3072 2.3072 2.3385 2.3385 2.8583 2.8583 2.8591 2.8591 2.8878 2.8878 3.7957 3.7957 3.9875 3.9875 4.0000 4.0000 4.0105 4.0105 4.1213 4.1213 4.1240 4.1240 4.4422 4.4422 4.4495 4.4495 4.5310 4.5310 4.5689 4.5689 4.5899 4.5899 4.5940 4.5940 6.5052 6.5052 6.5067 6.5067 6.5497 6.5497 8.1180 8.1180 8.1202 8.1202 8.7325 8.7325 8.7339 8.7339 8.7377 8.7377 10.6995 10.6995 10.7002 10.7002 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.0423 -58.0423 -32.4925 -32.4925 -31.6700 -31.6700 -31.6700 -31.6700 -6.6359 -6.6359 -6.5381 -6.5381 -6.5309 -6.5309 -6.5309 -6.5309 0.8354 0.8354 0.8464 0.8464 0.8464 0.8464 1.6003 1.6003 2.2684 2.2684 2.2684 2.2684 2.3037 2.3037 2.3037 2.3037 2.3380 2.3380 2.8589 2.8589 2.8589 2.8589 2.8880 2.8880 3.7954 3.7954 3.9938 3.9938 3.9938 3.9938 4.0106 4.0106 4.1227 4.1227 4.1227 4.1227 4.4468 4.4468 4.4468 4.4468 4.5335 4.5335 4.5672 4.5672 4.5894 4.5894 4.5894 4.5894 6.5080 6.5080 6.5080 6.5080 6.5516 6.5516 8.1200 8.1200 8.1200 8.1200 8.7339 8.7339 8.7339 8.7339 8.7381 8.7381 10.6970 10.6970 10.6970 10.6970 Writing output data file VCu3S4.save init_run : 5.55s CPU 11.71s WALL ( 1 calls) electrons : 1778.41s CPU 1796.24s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.59s CPU 1.50s WALL ( 1 calls) Called by electrons: c_bands : 1778.38s CPU 1795.99s WALL ( 1 calls) v_of_rho : 0.20s CPU 0.78s WALL ( 1 calls) v_h : 0.03s CPU 0.03s WALL ( 1 calls) v_xc : 0.17s CPU 0.63s WALL ( 1 calls) newd : 1.55s CPU 1.65s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.22s WALL ( 231 calls) cegterg : 1704.70s CPU 1719.57s WALL ( 846 calls) Called by sum_band: Called by *egterg: h_psi : 554.35s CPU 566.34s WALL ( 16545 calls) s_psi : 104.87s CPU 105.40s WALL ( 16545 calls) g_psi : 1.33s CPU 1.35s WALL ( 15468 calls) cdiaghg : 790.21s CPU 788.22s WALL ( 15699 calls) cegterg:over : 140.48s CPU 135.77s WALL ( 15468 calls) cegterg:upda : 41.25s CPU 44.76s WALL ( 15468 calls) cegterg:last : 28.65s CPU 29.15s WALL ( 1770 calls) Called by h_psi: h_psi:vloc : 360.83s CPU 369.54s WALL ( 16545 calls) h_psi:vnl : 192.84s CPU 195.39s WALL ( 16545 calls) add_vuspsi : 78.06s CPU 83.41s WALL ( 16545 calls) General routines calbec : 114.70s CPU 111.82s WALL ( 16545 calls) fft : 0.39s CPU 1.29s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 316.43s CPU 322.20s WALL ( 1732640 calls) interpolate : 0.26s CPU 0.30s WALL ( 4 calls) davcio : 0.01s CPU 1.39s WALL ( 462 calls) Parallel routines fft_scatter : 220.29s CPU 219.38s WALL ( 1732663 calls) PWSCF : 30m51.35s CPU 32m53.04s WALL This run was terminated on: 5:45:39 31Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=