Program PWSCF v.5.1.1 starts on 31Oct2015 at 8:44:47 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 111 33 9 6109 977 153 Max 112 34 10 6114 1000 158 Sum 5345 1597 465 293291 47497 7441 bravais-lattice index = 14 lattice parameter (alat) = 10.1913 a.u. unit-cell volume = 1058.4925 (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)= 10.191292 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: 293291 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 47497 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 240, 84) NL pseudopotentials 0.50 Mb ( 120, 272) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.05 Mb ( 6111) G-vector shells 0.01 Mb ( 1080) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.23 Mb ( 240, 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 52.4 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 62.8 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 73.2 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 83.7 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 94.0 secs Computing kpt #: 6 total cpu time spent up to now is 102.5 secs Computing kpt #: 7 total cpu time spent up to now is 110.8 secs Computing kpt #: 8 total cpu time spent up to now is 117.1 secs Computing kpt #: 9 total cpu time spent up to now is 124.0 secs Computing kpt #: 10 total cpu time spent up to now is 130.4 secs Computing kpt #: 11 total cpu time spent up to now is 136.1 secs Computing kpt #: 12 total cpu time spent up to now is 141.4 secs Computing kpt #: 13 total cpu time spent up to now is 146.9 secs Computing kpt #: 14 total cpu time spent up to now is 152.1 secs Computing kpt #: 15 total cpu time spent up to now is 157.4 secs Computing kpt #: 16 total cpu time spent up to now is 162.5 secs Computing kpt #: 17 total cpu time spent up to now is 167.7 secs Computing kpt #: 18 total cpu time spent up to now is 172.9 secs Computing kpt #: 19 total cpu time spent up to now is 178.1 secs Computing kpt #: 20 total cpu time spent up to now is 183.3 secs Computing kpt #: 21 total cpu time spent up to now is 188.7 secs Computing kpt #: 22 total cpu time spent up to now is 193.7 secs Computing kpt #: 23 total cpu time spent up to now is 198.8 secs Computing kpt #: 24 total cpu time spent up to now is 204.0 secs Computing kpt #: 25 total cpu time spent up to now is 209.2 secs Computing kpt #: 26 total cpu time spent up to now is 214.4 secs Computing kpt #: 27 total cpu time spent up to now is 219.7 secs Computing kpt #: 28 total cpu time spent up to now is 224.8 secs Computing kpt #: 29 total cpu time spent up to now is 229.9 secs Computing kpt #: 30 total cpu time spent up to now is 235.0 secs Computing kpt #: 31 total cpu time spent up to now is 240.2 secs Computing kpt #: 32 total cpu time spent up to now is 245.8 secs Computing kpt #: 33 total cpu time spent up to now is 252.6 secs Computing kpt #: 34 total cpu time spent up to now is 257.9 secs Computing kpt #: 35 total cpu time spent up to now is 263.2 secs Computing kpt #: 36 total cpu time spent up to now is 268.6 secs Computing kpt #: 37 total cpu time spent up to now is 274.0 secs Computing kpt #: 38 total cpu time spent up to now is 279.5 secs Computing kpt #: 39 total cpu time spent up to now is 285.1 secs Computing kpt #: 40 total cpu time spent up to now is 290.7 secs Computing kpt #: 41 total cpu time spent up to now is 296.7 secs Computing kpt #: 42 total cpu time spent up to now is 302.8 secs Computing kpt #: 43 total cpu time spent up to now is 308.8 secs Computing kpt #: 44 total cpu time spent up to now is 315.1 secs Computing kpt #: 45 total cpu time spent up to now is 321.8 secs Computing kpt #: 46 total cpu time spent up to now is 329.3 secs Computing kpt #: 47 total cpu time spent up to now is 337.4 secs Computing kpt #: 48 total cpu time spent up to now is 345.2 secs Computing kpt #: 49 total cpu time spent up to now is 353.7 secs Computing kpt #: 50 total cpu time spent up to now is 360.9 secs Computing kpt #: 51 total cpu time spent up to now is 367.4 secs Computing kpt #: 52 total cpu time spent up to now is 373.6 secs Computing kpt #: 53 total cpu time spent up to now is 379.9 secs Computing kpt #: 54 total cpu time spent up to now is 385.8 secs Computing kpt #: 55 total cpu time spent up to now is 391.4 secs Computing kpt #: 56 total cpu time spent up to now is 397.3 secs Computing kpt #: 57 total cpu time spent up to now is 403.0 secs Computing kpt #: 58 total cpu time spent up to now is 408.7 secs Computing kpt #: 59 total cpu time spent up to now is 414.5 secs Computing kpt #: 60 total cpu time spent up to now is 420.3 secs Computing kpt #: 61 total cpu time spent up to now is 425.9 secs Computing kpt #: 62 total cpu time spent up to now is 431.3 secs Computing kpt #: 63 total cpu time spent up to now is 436.5 secs Computing kpt #: 64 total cpu time spent up to now is 442.1 secs Computing kpt #: 65 total cpu time spent up to now is 447.9 secs Computing kpt #: 66 total cpu time spent up to now is 453.6 secs Computing kpt #: 67 total cpu time spent up to now is 459.5 secs Computing kpt #: 68 total cpu time spent up to now is 465.2 secs Computing kpt #: 69 total cpu time spent up to now is 471.0 secs Computing kpt #: 70 total cpu time spent up to now is 476.9 secs Computing kpt #: 71 total cpu time spent up to now is 483.3 secs Computing kpt #: 72 total cpu time spent up to now is 489.5 secs Computing kpt #: 73 total cpu time spent up to now is 496.1 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 507.6 secs Computing kpt #: 75 total cpu time spent up to now is 517.8 secs Computing kpt #: 76 total cpu time spent up to now is 526.3 secs Computing kpt #: 77 total cpu time spent up to now is 534.1 secs Computing kpt #: 78 total cpu time spent up to now is 541.8 secs Computing kpt #: 79 total cpu time spent up to now is 552.0 secs Computing kpt #: 80 total cpu time spent up to now is 560.2 secs Computing kpt #: 81 total cpu time spent up to now is 568.2 secs Computing kpt #: 82 total cpu time spent up to now is 577.1 secs Computing kpt #: 83 total cpu time spent up to now is 584.7 secs Computing kpt #: 84 total cpu time spent up to now is 592.8 secs Computing kpt #: 85 total cpu time spent up to now is 600.5 secs Computing kpt #: 86 total cpu time spent up to now is 608.3 secs Computing kpt #: 87 total cpu time spent up to now is 616.1 secs Computing kpt #: 88 total cpu time spent up to now is 624.8 secs Computing kpt #: 89 total cpu time spent up to now is 633.1 secs Computing kpt #: 90 total cpu time spent up to now is 642.0 secs Computing kpt #: 91 total cpu time spent up to now is 651.6 secs Computing kpt #: 92 total cpu time spent up to now is 661.9 secs Computing kpt #: 93 total cpu time spent up to now is 672.6 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 683.8 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 694.9 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 706.2 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 717.2 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 728.2 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 739.1 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 750.0 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 760.9 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 771.7 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 782.6 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 793.3 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 803.5 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 813.7 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 824.2 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 834.7 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 845.5 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 857.8 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 868.3 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 878.8 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 889.5 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 900.2 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 910.8 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 921.5 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 932.1 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 943.0 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 953.9 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 965.0 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 975.8 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 986.6 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 997.3 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1008.1 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1018.9 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1029.8 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1040.7 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1051.5 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1062.5 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1073.4 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1084.3 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1095.2 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1106.0 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1117.0 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1127.8 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1138.7 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1151.1 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1162.1 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1173.1 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1184.0 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1195.0 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1205.9 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1216.9 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1227.8 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1238.7 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1249.7 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1260.7 secs Computing kpt #: 148 total cpu time spent up to now is 1271.3 secs Computing kpt #: 149 total cpu time spent up to now is 1280.6 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1291.5 secs Computing kpt #: 151 total cpu time spent up to now is 1298.4 secs Computing kpt #: 152 total cpu time spent up to now is 1305.5 secs Computing kpt #: 153 total cpu time spent up to now is 1312.4 secs Computing kpt #: 154 total cpu time spent up to now is 1319.2 secs Computing kpt #: 155 total cpu time spent up to now is 1325.9 secs Computing kpt #: 156 total cpu time spent up to now is 1332.6 secs Computing kpt #: 157 total cpu time spent up to now is 1342.1 secs Computing kpt #: 158 total cpu time spent up to now is 1348.3 secs Computing kpt #: 159 total cpu time spent up to now is 1355.1 secs Computing kpt #: 160 total cpu time spent up to now is 1361.8 secs Computing kpt #: 161 total cpu time spent up to now is 1368.5 secs Computing kpt #: 162 total cpu time spent up to now is 1374.9 secs Computing kpt #: 163 total cpu time spent up to now is 1381.4 secs Computing kpt #: 164 total cpu time spent up to now is 1387.8 secs Computing kpt #: 165 total cpu time spent up to now is 1394.1 secs Computing kpt #: 166 total cpu time spent up to now is 1400.1 secs Computing kpt #: 167 total cpu time spent up to now is 1406.1 secs Computing kpt #: 168 total cpu time spent up to now is 1412.0 secs Computing kpt #: 169 total cpu time spent up to now is 1417.4 secs Computing kpt #: 170 total cpu time spent up to now is 1422.8 secs Computing kpt #: 171 total cpu time spent up to now is 1428.1 secs Computing kpt #: 172 total cpu time spent up to now is 1433.4 secs Computing kpt #: 173 total cpu time spent up to now is 1438.6 secs Computing kpt #: 174 total cpu time spent up to now is 1443.9 secs Computing kpt #: 175 total cpu time spent up to now is 1451.1 secs Computing kpt #: 176 total cpu time spent up to now is 1456.6 secs Computing kpt #: 177 total cpu time spent up to now is 1462.0 secs Computing kpt #: 178 total cpu time spent up to now is 1467.4 secs Computing kpt #: 179 total cpu time spent up to now is 1473.1 secs Computing kpt #: 180 total cpu time spent up to now is 1478.9 secs Computing kpt #: 181 total cpu time spent up to now is 1484.9 secs Computing kpt #: 182 total cpu time spent up to now is 1491.0 secs Computing kpt #: 183 total cpu time spent up to now is 1498.0 secs Computing kpt #: 184 total cpu time spent up to now is 1505.9 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1517.1 secs Computing kpt #: 186 total cpu time spent up to now is 1527.4 secs Computing kpt #: 187 total cpu time spent up to now is 1535.2 secs Computing kpt #: 188 total cpu time spent up to now is 1542.1 secs Computing kpt #: 189 total cpu time spent up to now is 1548.6 secs Computing kpt #: 190 total cpu time spent up to now is 1554.7 secs Computing kpt #: 191 total cpu time spent up to now is 1560.9 secs Computing kpt #: 192 total cpu time spent up to now is 1566.9 secs Computing kpt #: 193 total cpu time spent up to now is 1572.5 secs Computing kpt #: 194 total cpu time spent up to now is 1578.1 secs Computing kpt #: 195 total cpu time spent up to now is 1583.5 secs Computing kpt #: 196 total cpu time spent up to now is 1588.9 secs Computing kpt #: 197 total cpu time spent up to now is 1594.1 secs Computing kpt #: 198 total cpu time spent up to now is 1599.5 secs Computing kpt #: 199 total cpu time spent up to now is 1604.8 secs Computing kpt #: 200 total cpu time spent up to now is 1609.9 secs Computing kpt #: 201 total cpu time spent up to now is 1615.2 secs Computing kpt #: 202 total cpu time spent up to now is 1620.4 secs Computing kpt #: 203 total cpu time spent up to now is 1625.8 secs Computing kpt #: 204 total cpu time spent up to now is 1631.2 secs Computing kpt #: 205 total cpu time spent up to now is 1636.6 secs Computing kpt #: 206 total cpu time spent up to now is 1642.0 secs Computing kpt #: 207 total cpu time spent up to now is 1647.5 secs Computing kpt #: 208 total cpu time spent up to now is 1653.2 secs Computing kpt #: 209 total cpu time spent up to now is 1658.8 secs Computing kpt #: 210 total cpu time spent up to now is 1664.9 secs Computing kpt #: 211 total cpu time spent up to now is 1671.1 secs Computing kpt #: 212 total cpu time spent up to now is 1676.9 secs Computing kpt #: 213 total cpu time spent up to now is 1683.1 secs Computing kpt #: 214 total cpu time spent up to now is 1689.4 secs Computing kpt #: 215 total cpu time spent up to now is 1695.5 secs Computing kpt #: 216 total cpu time spent up to now is 1701.9 secs Computing kpt #: 217 total cpu time spent up to now is 1708.2 secs Computing kpt #: 218 total cpu time spent up to now is 1714.4 secs Computing kpt #: 219 total cpu time spent up to now is 1720.7 secs Computing kpt #: 220 total cpu time spent up to now is 1727.2 secs Computing kpt #: 221 total cpu time spent up to now is 1733.5 secs Computing kpt #: 222 total cpu time spent up to now is 1740.1 secs Computing kpt #: 223 total cpu time spent up to now is 1747.5 secs Computing kpt #: 224 total cpu time spent up to now is 1755.2 secs Computing kpt #: 225 total cpu time spent up to now is 1761.8 secs Computing kpt #: 226 total cpu time spent up to now is 1768.4 secs Computing kpt #: 227 total cpu time spent up to now is 1775.3 secs Computing kpt #: 228 total cpu time spent up to now is 1781.9 secs Computing kpt #: 229 total cpu time spent up to now is 1788.7 secs Computing kpt #: 230 total cpu time spent up to now is 1796.4 secs Computing kpt #: 231 total cpu time spent up to now is 1802.5 secs ethr = 1.43E-11, avg # of iterations = 67.7 total cpu time spent up to now is 1802.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8654 -31.8654 -31.8654 -31.8654 -7.5344 -7.5344 -6.3242 -6.3242 -6.3191 -6.3191 -6.3191 -6.3191 0.4182 0.4182 0.4182 0.4182 1.1799 1.1799 1.9734 1.9734 1.9734 1.9734 2.0088 2.0088 2.5757 2.5757 2.6165 2.6165 2.6165 2.6165 3.2950 3.2950 3.2950 3.2950 3.2976 3.2976 3.3877 3.3877 3.3877 3.3877 3.8524 3.8524 3.9675 3.9675 3.9675 3.9675 4.0997 4.0997 4.0997 4.0997 4.1738 4.1738 4.7306 4.7306 4.8307 4.8307 4.8307 4.8307 4.9537 4.9537 5.7107 5.7107 5.7107 5.7107 5.7920 5.7920 7.4878 7.4878 7.4878 7.4878 8.1222 8.1222 8.1556 8.1556 8.1556 8.1556 9.0015 9.0015 11.3692 11.3697 k = 0.0000 0.0167-0.0000 ( 6007 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8654 -31.8654 -31.8654 -31.8654 -7.5338 -7.5338 -6.3245 -6.3245 -6.3196 -6.3196 -6.3191 -6.3191 0.4188 0.4188 0.4193 0.4193 1.1807 1.1807 1.9724 1.9724 1.9740 1.9740 2.0087 2.0087 2.5752 2.5752 2.6155 2.6155 2.6164 2.6164 3.2856 3.2856 3.2954 3.2954 3.2968 3.2968 3.3867 3.3867 3.3981 3.3981 3.8523 3.8523 3.9629 3.9629 3.9720 3.9720 4.0968 4.0968 4.1030 4.1030 4.1737 4.1737 4.7305 4.7305 4.8274 4.8274 4.8333 4.8333 4.9535 4.9535 5.7094 5.7094 5.7110 5.7110 5.7914 5.7914 7.4879 7.4879 7.4884 7.4884 8.1212 8.1212 8.1534 8.1534 8.1557 8.1557 9.0084 9.0084 11.3675 11.3696 k = 0.0000 0.0333-0.0000 ( 5991 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8654 -31.8654 -7.5320 -7.5320 -6.3258 -6.3258 -6.3207 -6.3207 -6.3190 -6.3190 0.4208 0.4208 0.4225 0.4225 1.1831 1.1831 1.9704 1.9704 1.9749 1.9749 2.0083 2.0083 2.5734 2.5734 2.6126 2.6126 2.6157 2.6157 3.2635 3.2635 3.2947 3.2947 3.2959 3.2959 3.3876 3.3876 3.4183 3.4183 3.8521 3.8521 3.9580 3.9580 3.9762 3.9762 4.0937 4.0937 4.1072 4.1072 4.1733 4.1733 4.7302 4.7302 4.8234 4.8234 4.8356 4.8356 4.9531 4.9531 5.7058 5.7058 5.7118 5.7118 5.7899 5.7899 7.4882 7.4882 7.4898 7.4898 8.1175 8.1175 8.1480 8.1480 8.1560 8.1560 9.0287 9.0287 11.3619 11.3620 k = 0.0000 0.0500-0.0000 ( 5983 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8654 -31.8654 -7.5289 -7.5289 -6.3291 -6.3291 -6.3215 -6.3215 -6.3190 -6.3190 0.4241 0.4241 0.4278 0.4278 1.1870 1.1870 1.9667 1.9667 1.9762 1.9762 2.0079 2.0079 2.5701 2.5701 2.6081 2.6081 2.6145 2.6145 3.2356 3.2356 3.2936 3.2936 3.2946 3.2946 3.3893 3.3893 3.4428 3.4428 3.8517 3.8517 3.9530 3.9530 3.9802 3.9802 4.0900 4.0900 4.1125 4.1125 4.1727 4.1727 4.7294 4.7294 4.8184 4.8184 4.8376 4.8376 4.9522 4.9522 5.6994 5.6994 5.7130 5.7130 5.7877 5.7877 7.4887 7.4887 7.4922 7.4922 8.1085 8.1085 8.1428 8.1428 8.1565 8.1565 9.0613 9.0613 11.3532 11.3532 k = 0.0000 0.0667-0.0000 ( 5967 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8654 -31.8654 -7.5246 -7.5246 -6.3345 -6.3345 -6.3218 -6.3218 -6.3189 -6.3189 0.4287 0.4287 0.4352 0.4352 1.1925 1.1925 1.9611 1.9611 1.9781 1.9781 2.0080 2.0080 2.5649 2.5649 2.6024 2.6024 2.6129 2.6129 3.2049 3.2049 3.2919 3.2919 3.2929 3.2929 3.3917 3.3917 3.4688 3.4688 3.8510 3.8510 3.9480 3.9480 3.9842 3.9842 4.0852 4.0852 4.1188 4.1188 4.1722 4.1722 4.7281 4.7281 4.8124 4.8124 4.8396 4.8396 4.9511 4.9511 5.6900 5.6900 5.7146 5.7146 5.7852 5.7852 7.4893 7.4893 7.4955 7.4955 8.0935 8.0935 8.1400 8.1400 8.1571 8.1571 9.1048 9.1048 11.3422 11.3422 k = 0.0000 0.0833-0.0000 ( 5951 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8654 -31.8654 -7.5191 -7.5191 -6.3416 -6.3416 -6.3218 -6.3218 -6.3188 -6.3188 0.4345 0.4345 0.4447 0.4447 1.1995 1.1995 1.9532 1.9532 1.9804 1.9804 2.0089 2.0089 2.5573 2.5573 2.5963 2.5963 2.6108 2.6108 3.1723 3.1723 3.2899 3.2899 3.2908 3.2908 3.3947 3.3947 3.4951 3.4951 3.8500 3.8500 3.9432 3.9432 3.9883 3.9883 4.0793 4.0793 4.1258 4.1258 4.1723 4.1723 4.7260 4.7260 4.8054 4.8054 4.8418 4.8418 4.9498 4.9498 5.6774 5.6774 5.7166 5.7166 5.7829 5.7829 7.4896 7.4896 7.4997 7.4997 8.0743 8.0743 8.1391 8.1391 8.1578 8.1578 9.1577 9.1577 11.3296 11.3296 k = 0.0000 0.1000-0.0000 ( 5951 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8654 -31.8654 -7.5125 -7.5125 -6.3504 -6.3504 -6.3217 -6.3217 -6.3187 -6.3187 0.4416 0.4416 0.4562 0.4562 1.2080 1.2080 1.9431 1.9431 1.9833 1.9833 2.0104 2.0104 2.5468 2.5468 2.5902 2.5902 2.6083 2.6083 3.1383 3.1383 3.2874 3.2874 3.2882 3.2882 3.3981 3.3981 3.5215 3.5215 3.8485 3.8485 3.9387 3.9387 3.9923 3.9923 4.0722 4.0722 4.1328 4.1328 4.1732 4.1732 4.7231 4.7231 4.7974 4.7974 4.8445 4.8445 4.9481 4.9481 5.6617 5.6617 5.7189 5.7189 5.7809 5.7809 7.4897 7.4897 7.5046 7.5046 8.0531 8.0531 8.1393 8.1393 8.1585 8.1585 9.2185 9.2185 11.3163 11.3163 k = 0.0000 0.1167-0.0000 ( 5947 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8654 -31.8654 -7.5046 -7.5046 -6.3607 -6.3607 -6.3216 -6.3216 -6.3186 -6.3186 0.4499 0.4499 0.4697 0.4697 1.2181 1.2181 1.9306 1.9306 1.9866 1.9866 2.0128 2.0128 2.5333 2.5333 2.5845 2.5845 2.6054 2.6054 3.1030 3.1030 3.2845 3.2845 3.2853 3.2853 3.4021 3.4021 3.5478 3.5478 3.8467 3.8467 3.9349 3.9349 3.9965 3.9965 4.0641 4.0641 4.1392 4.1392 4.1757 4.1757 4.7192 4.7192 4.7886 4.7886 4.8477 4.8477 4.9463 4.9463 5.6430 5.6430 5.7216 5.7216 5.7794 5.7794 7.4893 7.4893 7.5102 7.5102 8.0315 8.0315 8.1399 8.1399 8.1592 8.1592 9.2858 9.2858 11.3029 11.3029 k = 0.0000 0.1333-0.0000 ( 5923 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8655 -31.8655 -7.4957 -7.4957 -6.3725 -6.3725 -6.3214 -6.3214 -6.3185 -6.3185 0.4593 0.4593 0.4852 0.4852 1.2297 1.2297 1.9161 1.9161 1.9903 1.9903 2.0158 2.0158 2.5169 2.5169 2.5792 2.5792 2.6021 2.6021 3.0667 3.0667 3.2813 3.2813 3.2820 3.2820 3.4065 3.4065 3.5739 3.5739 3.8444 3.8444 3.9317 3.9317 4.0007 4.0007 4.0552 4.0552 4.1444 4.1444 4.1803 4.1803 4.7142 4.7142 4.7791 4.7791 4.8515 4.8515 4.9443 4.9443 5.6216 5.6216 5.7244 5.7244 5.7784 5.7784 7.4883 7.4883 7.5165 7.5165 8.0105 8.0105 8.1407 8.1407 8.1599 8.1599 9.3587 9.3587 11.2900 11.2900 k = 0.0000 0.1500-0.0000 ( 5927 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8656 -31.8656 -31.8655 -31.8655 -7.4856 -7.4856 -6.3857 -6.3857 -6.3212 -6.3212 -6.3183 -6.3183 0.4699 0.4699 0.5026 0.5026 1.2428 1.2428 1.8994 1.8994 1.9945 1.9945 2.0194 2.0194 2.4981 2.4981 2.5740 2.5740 2.5984 2.5984 3.0292 3.0292 3.2777 3.2777 3.2785 3.2785 3.4112 3.4112 3.5996 3.5996 3.8417 3.8417 3.9293 3.9293 4.0046 4.0046 4.0458 4.0458 4.1479 4.1479 4.1870 4.1870 4.7082 4.7082 4.7688 4.7688 4.8558 4.8558 4.9422 4.9422 5.5978 5.5978 5.7275 5.7275 5.7778 5.7778 7.4864 7.4864 7.5233 7.5233 7.9908 7.9908 8.1416 8.1416 8.1604 8.1604 9.4362 9.4362 11.2780 11.2780 k = 0.0000 0.1667-0.0000 ( 5919 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8656 -31.8656 -31.8655 -31.8655 -7.4745 -7.4745 -6.4002 -6.4002 -6.3210 -6.3210 -6.3181 -6.3181 0.4814 0.4814 0.5218 0.5218 1.2574 1.2574 1.8809 1.8809 1.9991 1.9991 2.0235 2.0235 2.4772 2.4772 2.5688 2.5688 2.5944 2.5944 2.9907 2.9907 3.2738 3.2738 3.2747 3.2747 3.4162 3.4162 3.6250 3.6250 3.8387 3.8387 3.9275 3.9275 4.0076 4.0076 4.0368 4.0368 4.1502 4.1502 4.1953 4.1953 4.7013 4.7013 4.7581 4.7581 4.8606 4.8606 4.9400 4.9400 5.5721 5.5721 5.7306 5.7306 5.7775 5.7775 7.4835 7.4835 7.5305 7.5305 7.9730 7.9730 8.1424 8.1424 8.1607 8.1607 9.5174 9.5174 11.2671 11.2671 k = 0.0000 0.1833-0.0000 ( 5939 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8656 -31.8656 -31.8655 -31.8655 -7.4624 -7.4624 -6.4159 -6.4159 -6.3208 -6.3208 -6.3180 -6.3180 0.4940 0.4940 0.5428 0.5428 1.2734 1.2734 1.8605 1.8605 2.0040 2.0040 2.0280 2.0280 2.4545 2.4545 2.5636 2.5636 2.5900 2.5900 2.9513 2.9513 3.2696 3.2696 3.2707 3.2707 3.4214 3.4214 3.6498 3.6498 3.8355 3.8355 3.9264 3.9264 4.0075 4.0075 4.0305 4.0305 4.1518 4.1518 4.2044 4.2044 4.6936 4.6936 4.7470 4.7470 4.8658 4.8658 4.9379 4.9379 5.5449 5.5449 5.7339 5.7339 5.7775 5.7775 7.4797 7.4797 7.5380 7.5380 7.9573 7.9573 8.1431 8.1431 8.1608 8.1608 9.6017 9.6017 11.2577 11.2577 k = 0.0000 0.2000-0.0000 ( 5943 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8656 -31.8656 -31.8655 -31.8655 -7.4493 -7.4493 -6.4328 -6.4328 -6.3205 -6.3205 -6.3178 -6.3178 0.5074 0.5074 0.5655 0.5655 1.2908 1.2908 1.8385 1.8385 2.0093 2.0093 2.0329 2.0329 2.4303 2.4303 2.5581 2.5581 2.5853 2.5853 2.9109 2.9109 3.2652 3.2652 3.2665 3.2665 3.4269 3.4269 3.6740 3.6740 3.8325 3.8325 3.9259 3.9259 4.0019 4.0019 4.0295 4.0295 4.1530 4.1530 4.2138 4.2138 4.6852 4.6852 4.7357 4.7357 4.8712 4.8712 4.9358 4.9358 5.5164 5.5164 5.7371 5.7371 5.7777 5.7777 7.4748 7.4748 7.5458 7.5458 7.9439 7.9439 8.1436 8.1436 8.1607 8.1607 9.6885 9.6885 11.2499 11.2499 k = 0.0000 0.2167-0.0000 ( 5947 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8657 -31.8657 -31.8655 -31.8655 -7.4353 -7.4353 -6.4506 -6.4506 -6.3202 -6.3202 -6.3176 -6.3176 0.5216 0.5216 0.5897 0.5897 1.3097 1.3097 1.8148 1.8148 2.0148 2.0148 2.0382 2.0382 2.4049 2.4049 2.5526 2.5526 2.5804 2.5804 2.8698 2.8698 3.2607 3.2607 3.2622 3.2622 3.4325 3.4325 3.6972 3.6972 3.8298 3.8298 3.9259 3.9259 3.9925 3.9925 4.0322 4.0322 4.1540 4.1540 4.2230 4.2230 4.6764 4.6764 4.7244 4.7244 4.8769 4.8769 4.9339 4.9339 5.4871 5.4871 5.7402 5.7402 5.7781 5.7781 7.4690 7.4690 7.5537 7.5537 7.9327 7.9327 8.1440 8.1440 8.1602 8.1602 9.7770 9.7770 11.2436 11.2436 k = 0.0000 0.2333-0.0000 ( 5939 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8657 -31.8657 -31.8655 -31.8655 -7.4205 -7.4205 -6.4694 -6.4694 -6.3199 -6.3199 -6.3174 -6.3174 0.5365 0.5365 0.6155 0.6155 1.3298 1.3298 1.7897 1.7897 2.0206 2.0206 2.0438 2.0438 2.3786 2.3786 2.5470 2.5470 2.5754 2.5754 2.8281 2.8281 3.2562 3.2562 3.2578 3.2578 3.4381 3.4381 3.7191 3.7191 3.8282 3.8282 3.9262 3.9262 3.9819 3.9819 4.0363 4.0363 4.1550 4.1550 4.2319 4.2319 4.6674 4.6674 4.7131 4.7131 4.8826 4.8826 4.9321 4.9321 5.4573 5.4573 5.7434 5.7434 5.7786 5.7786 7.4624 7.4624 7.5617 7.5617 7.9237 7.9237 8.1440 8.1440 8.1595 8.1595 9.8669 9.8669 11.2390 11.2390 k = 0.0000 0.2500-0.0000 ( 5930 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8657 -31.8657 -31.8655 -31.8655 -7.4049 -7.4049 -6.4891 -6.4891 -6.3196 -6.3196 -6.3173 -6.3173 0.5519 0.5519 0.6428 0.6428 1.3513 1.3513 1.7631 1.7631 2.0266 2.0266 2.0495 2.0495 2.3516 2.3516 2.5412 2.5412 2.5702 2.5702 2.7858 2.7858 3.2515 3.2515 3.2534 3.2534 3.4438 3.4438 3.7386 3.7386 3.8286 3.8286 3.9270 3.9270 3.9711 3.9711 4.0409 4.0409 4.1559 4.1559 4.2400 4.2400 4.6582 4.6582 4.7019 4.7019 4.8884 4.8884 4.9308 4.9308 5.4271 5.4271 5.7464 5.7464 5.7792 5.7792 7.4551 7.4551 7.5696 7.5696 7.9166 7.9166 8.1439 8.1439 8.1585 8.1585 9.9574 9.9574 11.2359 11.2359 k = 0.0000 0.2667-0.0000 ( 5934 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8657 -31.8657 -31.8655 -31.8655 -7.3886 -7.3886 -6.5093 -6.5093 -6.3193 -6.3193 -6.3171 -6.3171 0.5677 0.5677 0.6713 0.6713 1.3739 1.3739 1.7353 1.7353 2.0326 2.0326 2.0553 2.0553 2.3242 2.3242 2.5353 2.5353 2.5649 2.5649 2.7431 2.7431 3.2470 3.2470 3.2489 3.2489 3.4494 3.4494 3.7543 3.7543 3.8324 3.8324 3.9279 3.9279 3.9604 3.9604 4.0455 4.0455 4.1568 4.1568 4.2472 4.2472 4.6491 4.6491 4.6910 4.6910 4.8942 4.8942 4.9298 4.9298 5.3969 5.3969 5.7492 5.7492 5.7799 5.7799 7.4473 7.4473 7.5773 7.5773 7.9113 7.9113 8.1434 8.1434 8.1572 8.1572 10.0480 10.0480 11.2343 11.2343 k = 0.0000 0.2833-0.0000 ( 5946 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8658 -31.8658 -31.8655 -31.8655 -7.3717 -7.3717 -6.5301 -6.5301 -6.3190 -6.3190 -6.3169 -6.3169 0.5838 0.5838 0.7010 0.7010 1.3975 1.3975 1.7064 1.7064 2.0388 2.0388 2.0613 2.0613 2.2967 2.2967 2.5293 2.5293 2.5594 2.5594 2.7003 2.7003 3.2424 3.2424 3.2445 3.2445 3.4550 3.4550 3.7647 3.7647 3.8409 3.8409 3.9289 3.9289 3.9503 3.9503 4.0501 4.0501 4.1577 4.1577 4.2533 4.2533 4.6401 4.6401 4.6805 4.6805 4.8999 4.8999 4.9294 4.9294 5.3668 5.3668 5.7518 5.7518 5.7807 5.7807 7.4393 7.4393 7.5848 7.5848 7.9075 7.9075 8.1427 8.1427 8.1557 8.1557 10.1381 10.1381 11.2338 11.2338 k = 0.0000 0.3000-0.0000 ( 5930 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8658 -31.8658 -31.8655 -31.8655 -7.3544 -7.3544 -6.5513 -6.5513 -6.3187 -6.3187 -6.3167 -6.3167 0.6001 0.6001 0.7317 0.7317 1.4221 1.4221 1.6765 1.6765 2.0449 2.0449 2.0672 2.0672 2.2694 2.2694 2.5231 2.5231 2.5541 2.5541 2.6577 2.6577 3.2380 3.2380 3.2402 3.2402 3.4604 3.4604 3.7698 3.7698 3.8541 3.8541 3.9302 3.9302 3.9410 3.9410 4.0545 4.0545 4.1587 4.1587 4.2582 4.2582 4.6315 4.6315 4.6705 4.6705 4.9055 4.9055 4.9297 4.9297 5.3371 5.3371 5.7543 5.7543 5.7816 5.7816 7.4312 7.4312 7.5921 7.5921 7.9050 7.9050 8.1418 8.1418 8.1539 8.1539 10.2271 10.2271 11.2344 11.2344 k = 0.0000 0.3167-0.0000 ( 5922 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8658 -31.8658 -31.8655 -31.8655 -7.3368 -7.3368 -6.5726 -6.5726 -6.3184 -6.3184 -6.3166 -6.3166 0.6162 0.6162 0.7634 0.7634 1.4472 1.4472 1.6459 1.6459 2.0511 2.0511 2.0731 2.0731 2.2426 2.2426 2.5165 2.5165 2.5488 2.5488 2.6157 2.6157 3.2338 3.2338 3.2360 3.2360 3.4657 3.4657 3.7712 3.7712 3.8697 3.8697 3.9317 3.9317 3.9332 3.9332 4.0587 4.0587 4.1596 4.1596 4.2618 4.2618 4.6233 4.6233 4.6609 4.6609 4.9107 4.9107 4.9310 4.9310 5.3080 5.3080 5.7565 5.7565 5.7825 5.7825 7.4232 7.4232 7.5990 7.5990 7.9034 7.9034 8.1408 8.1408 8.1520 8.1520 10.3144 10.3144 11.2358 11.2358 k = 0.0000 0.3333-0.0000 ( 5918 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8659 -31.8659 -31.8655 -31.8655 -7.3191 -7.3191 -6.5939 -6.5939 -6.3182 -6.3182 -6.3164 -6.3164 0.6321 0.6321 0.7957 0.7957 1.4727 1.4727 1.6150 1.6150 2.0571 2.0571 2.0789 2.0789 2.2165 2.2165 2.5090 2.5090 2.5436 2.5436 2.5753 2.5753 3.2298 3.2298 3.2319 3.2319 3.4708 3.4708 3.7705 3.7705 3.8845 3.8845 3.9277 3.9277 3.9341 3.9341 4.0625 4.0625 4.1605 4.1605 4.2638 4.2638 4.6156 4.6156 4.6520 4.6520 4.9154 4.9154 4.9337 4.9337 5.2795 5.2795 5.7585 5.7585 5.7835 5.7835 7.4154 7.4154 7.6054 7.6054 7.9026 7.9026 8.1396 8.1396 8.1499 8.1499 10.3992 10.3992 11.2377 11.2377 k = 0.0000 0.3500-0.0000 ( 5926 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8659 -31.8659 -31.8655 -31.8655 -7.3014 -7.3014 -6.6149 -6.6149 -6.3179 -6.3179 -6.3163 -6.3163 0.6474 0.6474 0.8286 0.8286 1.4973 1.4973 1.5847 1.5847 2.0628 2.0628 2.0845 2.0845 2.1917 2.1917 2.4978 2.4978 2.5384 2.5384 2.5398 2.5398 3.2260 3.2260 3.2281 3.2281 3.4755 3.4755 3.7687 3.7687 3.8935 3.8935 3.9270 3.9270 3.9388 3.9388 4.0659 4.0659 4.1614 4.1614 4.2644 4.2644 4.6084 4.6084 4.6437 4.6437 4.9191 4.9191 4.9380 4.9380 5.2518 5.2518 5.7602 5.7602 5.7844 5.7844 7.4081 7.4081 7.6114 7.6114 7.9024 7.9024 8.1383 8.1383 8.1478 8.1478 10.4808 10.4808 11.2397 11.2397 k = 0.0000 0.3667-0.0000 ( 5950 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8659 -31.8659 -31.8655 -31.8655 -7.2840 -7.2840 -6.6353 -6.6353 -6.3176 -6.3176 -6.3162 -6.3162 0.6621 0.6621 0.8617 0.8617 1.5159 1.5159 1.5602 1.5602 2.0682 2.0682 2.0897 2.0897 2.1682 2.1682 2.4751 2.4751 2.5168 2.5168 2.5339 2.5339 3.2225 3.2225 3.2245 3.2245 3.4799 3.4799 3.7664 3.7664 3.8940 3.8940 3.9294 3.9294 3.9496 3.9496 4.0689 4.0689 4.1621 4.1621 4.2635 4.2635 4.6019 4.6019 4.6361 4.6361 4.9220 4.9220 4.9442 4.9442 5.2249 5.2249 5.7618 5.7618 5.7854 5.7854 7.4013 7.4013 7.6169 7.6169 7.9026 7.9026 8.1369 8.1369 8.1456 8.1456 10.5584 10.5584 11.2415 11.2415 k = 0.0000 0.3833-0.0000 ( 5954 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8659 -31.8659 -31.8655 -31.8655 -7.2672 -7.2672 -6.6549 -6.6549 -6.3174 -6.3174 -6.3161 -6.3161 0.6758 0.6758 0.8949 0.8949 1.5063 1.5063 1.5636 1.5636 2.0732 2.0732 2.0945 2.0945 2.1465 2.1465 2.4422 2.4422 2.5065 2.5065 2.5294 2.5294 3.2194 3.2194 3.2213 3.2213 3.4840 3.4840 3.7640 3.7640 3.8906 3.8906 3.9313 3.9313 3.9653 3.9653 4.0714 4.0714 4.1629 4.1629 4.2613 4.2613 4.5961 4.5961 4.6292 4.6292 4.9242 4.9242 4.9520 4.9520 5.1990 5.1990 5.7631 5.7631 5.7863 5.7863 7.3951 7.3951 7.6218 7.6218 7.9031 7.9031 8.1356 8.1356 8.1436 8.1436 10.6311 10.6311 11.2428 11.2428 k = 0.0000 0.4000-0.0000 ( 5962 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8659 -31.8659 -31.8655 -31.8655 -7.2513 -7.2513 -6.6733 -6.6733 -6.3172 -6.3172 -6.3160 -6.3160 0.6883 0.6883 0.9275 0.9275 1.4784 1.4784 1.5847 1.5847 2.0778 2.0778 2.0989 2.0989 2.1270 2.1270 2.4078 2.4078 2.5003 2.5003 2.5254 2.5254 3.2166 3.2166 3.2183 3.2183 3.4877 3.4877 3.7616 3.7616 3.8863 3.8863 3.9325 3.9325 3.9824 3.9824 4.0732 4.0732 4.1636 4.1636 4.2581 4.2581 4.5910 4.5910 4.6232 4.6232 4.9261 4.9261 4.9612 4.9612 5.1740 5.1740 5.7642 5.7642 5.7872 5.7872 7.3897 7.3897 7.6261 7.6261 7.9037 7.9037 8.1344 8.1344 8.1416 8.1416 10.6980 10.6980 11.2433 11.2433 k = 0.0000 0.4167-0.0000 ( 5950 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8659 -31.8659 -31.8655 -31.8655 -7.2367 -7.2367 -6.6901 -6.6901 -6.3169 -6.3169 -6.3160 -6.3160 0.6994 0.6994 0.9592 0.9592 1.4486 1.4486 1.6073 1.6073 2.0819 2.0819 2.1027 2.1027 2.1101 2.1101 2.3754 2.3754 2.4957 2.4957 2.5219 2.5219 3.2143 3.2143 3.2158 3.2158 3.4910 3.4910 3.7594 3.7594 3.8823 3.8823 3.9333 3.9333 3.9995 3.9995 4.0744 4.0744 4.1643 4.1643 4.2540 4.2540 4.5867 4.5867 4.6180 4.6180 4.9276 4.9276 4.9717 4.9717 5.1502 5.1502 5.7651 5.7651 5.7880 5.7880 7.3850 7.3850 7.6298 7.6298 7.9044 7.9044 8.1333 8.1333 8.1398 8.1398 10.7581 10.7581 11.2429 11.2429 k = 0.0000 0.4333-0.0000 ( 5934 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8660 -31.8660 -31.8655 -31.8655 -7.2238 -7.2238 -6.7048 -6.7048 -6.3168 -6.3168 -6.3159 -6.3159 0.7089 0.7089 0.9889 0.9889 1.4198 1.4198 1.6283 1.6283 2.0851 2.0851 2.0956 2.0956 2.1063 2.1063 2.3464 2.3464 2.4921 2.4921 2.5190 2.5190 3.2123 3.2123 3.2136 3.2136 3.4937 3.4937 3.7575 3.7575 3.8788 3.8788 3.9340 3.9340 4.0156 4.0156 4.0747 4.0747 4.1649 4.1649 4.2495 4.2495 4.5832 4.5832 4.6137 4.6137 4.9289 4.9289 4.9836 4.9836 5.1275 5.1275 5.7658 5.7658 5.7887 5.7887 7.3811 7.3811 7.6329 7.6329 7.9050 7.9050 8.1324 8.1324 8.1382 8.1382 10.8102 10.8102 11.2415 11.2415 k = 0.0000 0.4500-0.0000 ( 5934 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8660 -31.8660 -31.8655 -31.8655 -7.2131 -7.2131 -6.7169 -6.7169 -6.3166 -6.3166 -6.3159 -6.3159 0.7165 0.7165 1.0157 1.0157 1.3937 1.3937 1.6463 1.6463 2.0827 2.0827 2.0893 2.0893 2.1089 2.1089 2.3222 2.3222 2.4894 2.4894 2.5166 2.5166 3.2108 3.2108 3.2119 3.2119 3.4959 3.4959 3.7559 3.7559 3.8760 3.8760 3.9345 3.9345 4.0302 4.0302 4.0739 4.0739 4.1654 4.1654 4.2451 4.2451 4.5804 4.5804 4.6103 4.6103 4.9300 4.9300 4.9965 4.9965 5.1060 5.1060 5.7664 5.7664 5.7893 5.7893 7.3780 7.3780 7.6352 7.6352 7.9056 7.9056 8.1316 8.1316 8.1369 8.1369 10.8530 10.8530 11.2393 11.2393 k = 0.0000 0.4667-0.0000 ( 5926 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8660 -31.8660 -31.8655 -31.8655 -7.2050 -7.2050 -6.7260 -6.7260 -6.3165 -6.3165 -6.3159 -6.3159 0.7220 0.7220 1.0375 1.0375 1.3723 1.3723 1.6602 1.6602 2.0749 2.0749 2.0908 2.0908 2.1108 2.1108 2.3038 2.3038 2.4874 2.4874 2.5148 2.5148 3.2098 3.2098 3.2106 3.2106 3.4975 3.4975 3.7547 3.7547 3.8740 3.8740 3.9349 3.9349 4.0429 4.0429 4.0717 4.0717 4.1659 4.1659 4.2413 4.2413 4.5784 4.5784 4.6079 4.6079 4.9307 4.9307 5.0104 5.0104 5.0860 5.0860 5.7668 5.7668 5.7897 5.7897 7.3758 7.3758 7.6370 7.6370 7.9060 7.9060 8.1311 8.1311 8.1360 8.1360 10.8852 10.8852 11.2369 11.2369 k = 0.0000 0.4833-0.0000 ( 5926 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8660 -31.8660 -31.8655 -31.8655 -7.2000 -7.2000 -6.7316 -6.7316 -6.3164 -6.3164 -6.3159 -6.3159 0.7254 0.7254 1.0522 1.0522 1.3578 1.3578 1.6691 1.6691 2.0699 2.0699 2.0920 2.0920 2.1120 2.1120 2.2922 2.2922 2.4862 2.4862 2.5138 2.5138 3.2091 3.2091 3.2098 3.2098 3.4984 3.4984 3.7540 3.7540 3.8727 3.8727 3.9350 3.9350 4.0534 4.0534 4.0679 4.0679 4.1661 4.1661 4.2387 4.2387 4.5772 4.5772 4.6064 4.6064 4.9312 4.9312 5.0244 5.0244 5.0684 5.0684 5.7670 5.7670 5.7900 5.7900 7.3745 7.3745 7.6380 7.6380 7.9063 7.9063 8.1307 8.1307 8.1354 8.1354 10.9053 10.9053 11.2350 11.2350 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8660 -31.8660 -31.8655 -31.8655 -7.1982 -7.1982 -6.7335 -6.7335 -6.3164 -6.3164 -6.3159 -6.3159 0.7266 0.7266 1.0574 1.0574 1.3526 1.3526 1.6721 1.6721 2.0682 2.0682 2.0924 2.0924 2.1123 2.1123 2.2882 2.2882 2.4858 2.4858 2.5134 2.5134 3.2089 3.2089 3.2095 3.2095 3.4987 3.4987 3.7537 3.7537 3.8723 3.8723 3.9351 3.9351 4.0601 4.0601 4.0633 4.0633 4.1662 4.1662 4.2378 4.2378 4.5768 4.5768 4.6059 4.6059 4.9313 4.9313 5.0328 5.0328 5.0587 5.0587 5.7671 5.7671 5.7900 5.7900 7.3740 7.3740 7.6383 7.6383 7.9064 7.9064 8.1306 8.1306 8.1352 8.1352 10.9121 10.9121 11.2342 11.2342 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8660 -31.8660 -31.8655 -31.8655 -7.1982 -7.1982 -6.7335 -6.7335 -6.3164 -6.3164 -6.3159 -6.3159 0.7266 0.7266 1.0574 1.0574 1.3526 1.3526 1.6721 1.6721 2.0682 2.0682 2.0924 2.0924 2.1123 2.1123 2.2882 2.2882 2.4858 2.4858 2.5134 2.5134 3.2089 3.2089 3.2095 3.2095 3.4987 3.4987 3.7537 3.7537 3.8723 3.8723 3.9351 3.9351 4.0601 4.0601 4.0633 4.0633 4.1662 4.1662 4.2378 4.2378 4.5768 4.5768 4.6059 4.6059 4.9313 4.9313 5.0328 5.0328 5.0587 5.0587 5.7671 5.7671 5.7900 5.7900 7.3740 7.3740 7.6383 7.6383 7.9064 7.9064 8.1306 8.1306 8.1352 8.1352 10.9121 10.9121 11.2342 11.2342 k = 0.0167 0.5000-0.0000 ( 5930 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8660 -31.8660 -31.8655 -31.8655 -7.1977 -7.1977 -6.7333 -6.7333 -6.3169 -6.3167 -6.3163 -6.3162 0.7268 0.7274 1.0574 1.0576 1.3522 1.3527 1.6721 1.6726 2.0674 2.0687 2.0909 2.0933 2.1120 2.1121 2.2884 2.2891 2.4854 2.4855 2.5129 2.5132 3.2060 3.2068 3.2085 3.2085 3.4998 3.5003 3.7521 3.7553 3.8687 3.8758 3.9222 3.9491 4.0540 4.0584 4.0640 4.0704 4.1586 4.1771 4.2348 4.2416 4.5702 4.5792 4.5992 4.6113 4.9291 4.9402 5.0302 5.0338 5.0547 5.0638 5.7635 5.7693 5.7891 5.7895 7.3743 7.3758 7.6380 7.6388 7.9067 7.9079 8.1300 8.1309 8.1348 8.1358 10.9135 10.9139 11.2361 11.2382 k = 0.0333 0.5000-0.0000 ( 5930 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8660 -31.8660 -31.8655 -31.8655 -7.1962 -7.1961 -6.7326 -6.7326 -6.3185 -6.3183 -6.3170 -6.3169 0.7282 0.7294 1.0573 1.0578 1.3514 1.3525 1.6725 1.6737 2.0664 2.0690 2.0889 2.0936 2.1110 2.1111 2.2896 2.2909 2.4842 2.4842 2.5115 2.5124 3.1998 3.2007 3.2039 3.2048 3.5032 3.5042 3.7506 3.7566 3.8652 3.8788 3.9111 3.9639 4.0484 4.0541 4.0632 4.0809 4.1548 4.1903 4.2325 4.2464 4.5570 4.5793 4.5948 4.6125 4.9345 4.9541 5.0262 5.0332 5.0514 5.0704 5.7584 5.7701 5.7868 5.7875 7.3766 7.3795 7.6378 7.6393 7.9087 7.9111 8.1282 8.1293 8.1355 8.1381 10.9180 10.9187 11.2437 11.2480 k = 0.0500 0.5000-0.0000 ( 5936 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8660 -31.8660 -31.8655 -31.8655 -7.1936 -7.1935 -6.7315 -6.7315 -6.3213 -6.3211 -6.3180 -6.3179 0.7306 0.7325 1.0574 1.0581 1.3503 1.3519 1.6735 1.6752 2.0652 2.0688 2.0865 2.0933 2.1095 2.1095 2.2918 2.2938 2.4820 2.4823 2.5094 2.5110 3.1906 3.1914 3.1959 3.1980 3.5089 3.5102 3.7493 3.7578 3.8621 3.8800 3.9026 3.9790 4.0442 4.0497 4.0599 4.0932 4.1547 4.2038 4.2321 4.2527 4.5385 4.5773 4.5929 4.6097 4.9465 4.9704 5.0214 5.0310 5.0490 5.0793 5.7519 5.7695 5.7833 5.7841 7.3808 7.3851 7.6378 7.6400 7.9124 7.9159 8.1244 8.1256 8.1383 8.1425 10.9257 10.9266 11.2572 11.2636 k = 0.0667 0.5000-0.0000 ( 5936 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8660 -31.8660 -31.8655 -31.8655 -7.1900 -7.1899 -6.7299 -6.7299 -6.3252 -6.3249 -6.3195 -6.3194 0.7342 0.7366 1.0575 1.0584 1.3488 1.3509 1.6751 1.6773 2.0637 2.0682 2.0838 2.0923 2.1075 2.1075 2.2949 2.2975 2.4788 2.4797 2.5065 2.5091 3.1786 3.1792 3.1849 3.1883 3.5163 3.5179 3.7482 3.7586 3.8596 3.8781 3.8986 3.9941 4.0411 4.0457 4.0550 4.1070 4.1571 4.2126 4.2378 4.2610 4.5169 4.5722 4.5925 4.6049 4.9620 4.9864 5.0166 5.0275 5.0485 5.0918 5.7440 5.7673 5.7788 5.7799 7.3869 7.3926 7.6381 7.6409 7.9176 7.9221 8.1188 8.1203 8.1427 8.1484 10.9363 10.9376 11.2764 11.2849 k = 0.0833 0.5000-0.0000 ( 5940 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8660 -31.8660 -31.8655 -31.8655 -7.1854 -7.1852 -6.7279 -6.7279 -6.3302 -6.3299 -6.3213 -6.3212 0.7388 0.7418 1.0576 1.0588 1.3469 1.3495 1.6772 1.6801 2.0617 2.0667 2.0811 2.0909 2.1050 2.1053 2.2988 2.3022 2.4744 2.4763 2.5029 2.5070 3.1639 3.1646 3.1713 3.1761 3.5250 3.5269 3.7476 3.7592 3.8576 3.8733 3.8985 4.0081 4.0391 4.0423 4.0496 4.1222 4.1612 4.2137 4.2523 4.2715 4.4939 4.5625 4.5930 4.6008 4.9747 4.9991 5.0133 5.0229 5.0532 5.1093 5.7347 5.7628 5.7739 5.7756 7.3947 7.4018 7.6388 7.6421 7.9239 7.9295 8.1121 8.1140 8.1487 8.1557 10.9499 10.9515 11.3012 11.3117 k = 0.1000 0.5000-0.0000 ( 5948 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8660 -31.8660 -31.8655 -31.8655 -7.1798 -7.1796 -6.7255 -6.7255 -6.3363 -6.3359 -6.3236 -6.3235 0.7444 0.7480 1.0578 1.0592 1.3445 1.3476 1.6800 1.6834 2.0592 2.0641 2.0785 2.0891 2.1025 2.1028 2.3036 2.3076 2.4689 2.4721 2.4987 2.5045 3.1469 3.1479 3.1557 3.1618 3.5346 3.5366 3.7475 3.7596 3.8563 3.8680 3.9002 4.0192 4.0391 4.0399 4.0451 4.1383 4.1661 4.2114 4.2708 4.2844 4.4704 4.5485 4.5940 4.5984 4.9774 5.0057 5.0116 5.0187 5.0687 5.1321 5.7241 5.7556 5.7689 5.7723 7.4041 7.4125 7.6400 7.6438 7.9309 7.9375 8.1047 8.1070 8.1558 8.1640 10.9663 10.9681 11.3316 11.3440 k = 0.1167 0.5000-0.0000 ( 5936 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8660 -31.8660 -31.8655 -31.8655 -7.1732 -7.1729 -6.7227 -6.7226 -6.3434 -6.3429 -6.3262 -6.3261 0.7511 0.7552 1.0581 1.0597 1.3417 1.3453 1.6836 1.6875 2.0562 2.0606 2.0760 2.0872 2.1000 2.1003 2.3090 2.3139 2.4623 2.4671 2.4941 2.5020 3.1278 3.1294 3.1385 3.1457 3.5447 3.5468 3.7479 3.7599 3.8558 3.8634 3.9024 4.0229 4.0384 4.0401 4.0465 4.1547 4.1719 4.2084 4.2908 4.2995 4.4468 4.5316 4.5956 4.5973 4.9720 5.0031 5.0082 5.0182 5.0951 5.1592 5.7123 5.7460 5.7646 5.7702 7.4149 7.4247 7.6419 7.6461 7.9380 7.9456 8.0975 8.1001 8.1640 8.1733 10.9853 10.9875 11.3673 11.3816 k = 0.1333 0.5000-0.0000 ( 5944 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8660 -31.8660 -31.8655 -31.8655 -7.1657 -7.1653 -6.7194 -6.7194 -6.3516 -6.3510 -6.3292 -6.3291 0.7587 0.7633 1.0584 1.0602 1.3383 1.3423 1.6879 1.6923 2.0523 2.0560 2.0734 2.0854 2.0978 2.0979 2.3151 2.3207 2.4545 2.4611 2.4892 2.4992 3.1069 3.1095 3.1201 3.1281 3.5548 3.5570 3.7487 3.7604 3.8559 3.8598 3.9049 4.0208 4.0377 4.0385 4.0556 4.1700 4.1788 4.2063 4.3114 4.3164 4.4236 4.5130 4.5968 4.5977 4.9629 4.9951 5.0022 5.0183 5.1275 5.1890 5.6991 5.7345 5.7616 5.7694 7.4268 7.4379 7.6447 7.6492 7.9443 7.9526 8.0912 8.0942 8.1731 8.1833 11.0069 11.0093 11.4082 11.4242 k = 0.1500 0.5000-0.0000 ( 5950 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8660 -31.8660 -31.8655 -31.8655 -7.1572 -7.1568 -6.7158 -6.7157 -6.3607 -6.3601 -6.3325 -6.3324 0.7672 0.7723 1.0587 1.0607 1.3343 1.3388 1.6931 1.6980 2.0477 2.0507 2.0706 2.0836 2.0953 2.0963 2.3217 2.3281 2.4456 2.4540 2.4842 2.4963 3.0847 3.0885 3.1006 3.1094 3.5647 3.5669 3.7501 3.7611 3.8568 3.8572 3.9076 4.0172 4.0371 4.0379 4.0649 4.1800 4.1872 4.2093 4.3318 4.3350 4.4015 4.4935 4.5967 4.6003 4.9519 4.9850 4.9944 5.0165 5.1626 5.2198 5.6848 5.7214 5.7606 5.7702 7.4397 7.4520 7.6485 7.6533 7.9488 7.9574 8.0874 8.0904 8.1828 8.1939 11.0309 11.0334 11.4541 11.4716 k = 0.1667 0.5000-0.0000 ( 5958 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8660 -31.8660 -31.8656 -31.8656 -7.1478 -7.1474 -6.7118 -6.7118 -6.3707 -6.3701 -6.3362 -6.3361 0.7766 0.7821 1.0591 1.0612 1.3297 1.3345 1.6992 1.7047 2.0423 2.0448 2.0675 2.0821 2.0931 2.0952 2.3289 2.3360 2.4357 2.4457 2.4792 2.4933 3.0615 3.0667 3.0802 3.0896 3.5740 3.5765 3.7520 3.7624 3.8555 3.8583 3.9106 4.0135 4.0358 4.0389 4.0729 4.1807 4.1974 4.2214 4.3496 4.3547 4.3828 4.4738 4.5968 4.6034 4.9398 4.9735 4.9850 5.0126 5.1982 5.2503 5.6695 5.7070 5.7624 5.7730 7.4532 7.4666 7.6535 7.6586 7.9501 7.9585 8.0874 8.0900 8.1930 8.2048 11.0569 11.0595 11.5046 11.5234 k = 0.1833 0.5000-0.0000 ( 5940 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8660 -31.8660 -31.8656 -31.8656 -7.1376 -7.1371 -6.7075 -6.7074 -6.3817 -6.3810 -6.3402 -6.3401 0.7868 0.7928 1.0595 1.0617 1.3244 1.3296 1.7064 1.7123 2.0363 2.0384 2.0644 2.0808 2.0912 2.0945 2.3365 2.3443 2.4250 2.4362 2.4745 2.4903 3.0377 3.0444 3.0591 3.0690 3.5827 3.5854 3.7544 3.7644 3.8546 3.8605 3.9139 4.0103 4.0345 4.0406 4.0796 4.1764 4.2093 4.2381 4.3492 4.3752 4.3829 4.4542 4.5971 4.6071 4.9269 4.9610 4.9743 5.0065 5.2332 5.2794 5.6533 5.6916 5.7679 5.7785 7.4670 7.4814 7.6600 7.6652 7.9476 7.9553 8.0920 8.0937 8.2035 8.2159 11.0847 11.0875 11.5593 11.5792 k = 0.2000 0.5000-0.0000 ( 5936 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8660 -31.8660 -31.8656 -31.8656 -7.1265 -7.1261 -6.7028 -6.7028 -6.3935 -6.3927 -6.3445 -6.3444 0.7979 0.8041 1.0599 1.0622 1.3183 1.3238 1.7146 1.7210 2.0297 2.0316 2.0613 2.0797 2.0896 2.0943 2.3443 2.3528 2.4135 2.4257 2.4699 2.4872 3.0135 3.0218 3.0373 3.0477 3.5905 3.5936 3.7571 3.7671 3.8542 3.8630 3.9177 4.0074 4.0332 4.0428 4.0851 4.1703 4.2227 4.2561 4.3322 4.3958 4.4002 4.4353 4.5974 4.6115 4.9133 4.9475 4.9623 4.9984 5.2663 5.3060 5.6364 5.6753 5.7776 5.7873 7.4807 7.4959 7.6681 7.6736 7.9412 7.9478 8.1011 8.1017 8.2142 8.2270 11.1141 11.1169 11.6178 11.6383 k = 0.2167 0.5000-0.0000 ( 5938 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8661 -31.8661 -31.8656 -31.8656 -7.1147 -7.1142 -6.6979 -6.6978 -6.4061 -6.4053 -6.3491 -6.3490 0.8096 0.8161 1.0603 1.0627 1.3115 1.3171 1.7241 1.7308 2.0227 2.0245 2.0585 2.0788 2.0884 2.0943 2.3523 2.3609 2.4018 2.4144 2.4656 2.4840 2.9893 2.9991 3.0150 3.0258 3.5974 3.6011 3.7601 3.7706 3.8542 3.8658 3.9220 4.0047 4.0321 4.0454 4.0899 4.1633 4.2373 4.2745 4.3139 4.4090 4.4193 4.4244 4.5977 4.6164 4.8993 4.9332 4.9491 4.9883 5.2967 5.3294 5.6191 5.6583 5.7919 5.7998 7.4940 7.5098 7.6779 7.6838 7.9318 7.9372 8.1131 8.1136 8.2248 8.2380 11.1447 11.1475 11.6790 11.6996 k = 0.2333 0.5000-0.0000 ( 5944 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8661 -31.8661 -31.8656 -31.8656 -7.1022 -7.1016 -6.6927 -6.6927 -6.4194 -6.4186 -6.3539 -6.3538 0.8220 0.8288 1.0607 1.0632 1.3038 1.3096 1.7347 1.7418 2.0154 2.0171 2.0561 2.0781 2.0876 2.0944 2.3598 2.3667 2.3917 2.4027 2.4615 2.4809 2.9652 2.9765 2.9923 3.0035 3.6035 3.6079 3.7635 3.7748 3.8544 3.8687 3.9268 4.0018 4.0317 4.0484 4.0943 4.1557 4.2526 4.2926 4.2964 4.3947 4.4380 4.4416 4.5981 4.6219 4.8849 4.9181 4.9346 4.9764 5.3236 5.3493 5.6014 5.6407 5.8109 5.8163 7.5067 7.5226 7.6897 7.6961 7.9201 7.9244 8.1270 8.1284 8.2353 8.2487 11.1762 11.1789 11.7417 11.7610 k = 0.2500 0.5000-0.0000 ( 5916 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8661 -31.8661 -31.8656 -31.8656 -7.0889 -7.0884 -6.6873 -6.6873 -6.4335 -6.4326 -6.3589 -6.3588 0.8351 0.8420 1.0611 1.0636 1.2953 1.3011 1.7467 1.7540 2.0079 2.0096 2.0543 2.0777 2.0873 2.0948 2.3636 2.3649 2.3900 2.3928 2.4577 2.4779 2.9414 2.9542 2.9694 2.9809 3.6087 3.6140 3.7672 3.7798 3.8548 3.8715 3.9323 3.9984 4.0324 4.0516 4.0987 4.1478 4.2685 4.2799 4.3112 4.3775 4.4559 4.4625 4.5987 4.6280 4.8704 4.9025 4.9193 4.9627 5.3469 5.3656 5.5838 5.6229 5.8342 5.8369 7.5184 7.5343 7.7033 7.7103 7.9073 7.9105 8.1428 8.1448 8.2454 8.2590 11.2082 11.2107 11.8023 11.8179 k = 0.2667 0.5000-0.0000 ( 5948 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8661 -31.8661 -31.8656 -31.8656 -7.0751 -7.0745 -6.6818 -6.6817 -6.4481 -6.4472 -6.3641 -6.3640 0.8487 0.8557 1.0615 1.0640 1.2858 1.2917 1.7598 1.7674 2.0004 2.0020 2.0530 2.0774 2.0873 2.0952 2.3513 2.3614 2.3907 2.3966 2.4540 2.4750 2.9181 2.9322 2.9463 2.9581 3.6132 3.6193 3.7710 3.7851 3.8552 3.8738 3.9381 3.9943 4.0343 4.0546 4.1029 4.1396 4.2650 4.2840 4.3292 4.3611 4.4727 4.4833 4.5992 4.6345 4.8555 4.8863 4.9029 4.9473 5.3663 5.3786 5.5664 5.6049 5.8611 5.8612 7.5291 7.5446 7.7185 7.7263 7.8937 7.8961 8.1595 8.1620 8.2551 8.2687 11.2404 11.2427 11.8520 11.8585 k = 0.2833 0.5000-0.0000 ( 5948 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8661 -31.8661 -31.8657 -31.8657 -7.0608 -7.0602 -6.6761 -6.6760 -6.4632 -6.4623 -6.3695 -6.3694 0.8629 0.8699 1.0618 1.0643 1.2756 1.2813 1.7743 1.7821 1.9930 1.9945 2.0525 2.0774 2.0877 2.0956 2.3362 2.3492 2.3966 2.4052 2.4508 2.4723 2.8953 2.9107 2.9234 2.9353 3.6172 3.6242 3.7752 3.7908 3.8556 3.8758 3.9444 3.9896 4.0375 4.0574 4.1073 4.1316 4.2518 4.2976 4.3470 4.3477 4.4885 4.5037 4.6000 4.6413 4.8406 4.8698 4.8859 4.9306 5.3821 5.3888 5.5494 5.5870 5.8884 5.8910 7.5386 7.5536 7.7352 7.7439 7.8802 7.8816 8.1768 8.1796 8.2643 8.2778 11.2723 11.2743 11.8662 11.8705 k = 0.3000 0.5000-0.0000 ( 5958 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8661 -31.8661 -31.8657 -31.8657 -7.0461 -7.0454 -6.6703 -6.6702 -6.4787 -6.4778 -6.3749 -6.3748 0.8775 0.8845 1.0622 1.0646 1.2644 1.2700 1.7901 1.7981 1.9857 1.9871 2.0526 2.0776 2.0884 2.0961 2.3196 2.3336 2.4050 2.4142 2.4478 2.4701 2.8732 2.8898 2.9009 2.9126 3.6207 3.6285 3.7796 3.7967 3.8559 3.8771 3.9511 3.9847 4.0414 4.0595 4.1120 4.1241 4.2403 4.3034 4.3430 4.3647 4.5031 4.5233 4.6010 4.6482 4.8255 4.8530 4.8682 4.9126 5.3946 5.3966 5.5330 5.5694 5.9180 5.9225 7.5472 7.5614 7.7529 7.7626 7.8672 7.8675 8.1942 8.1972 8.2729 8.2861 11.3035 11.3052 11.8437 11.8516 k = 0.3167 0.5000-0.0000 ( 5954 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8661 -31.8661 -31.8657 -31.8657 -7.0310 -7.0303 -6.6645 -6.6644 -6.4945 -6.4936 -6.3804 -6.3802 0.8926 0.8995 1.0625 1.0649 1.2525 1.2577 1.8073 1.8153 1.9786 1.9800 2.0535 2.0781 2.0895 2.0966 2.3021 2.3164 2.4142 2.4227 2.4453 2.4686 2.8518 2.8697 2.8788 2.8903 3.6239 3.6323 3.7842 3.8026 3.8562 3.8779 3.9580 3.9796 4.0457 4.0601 4.1171 4.1179 4.2306 4.2966 4.3520 4.3823 4.5166 4.5420 4.6022 4.6549 4.8104 4.8361 4.8504 4.8938 5.4027 5.4045 5.5175 5.5522 5.9490 5.9549 7.5547 7.5681 7.7709 7.7818 7.8543 7.8552 8.2114 8.2144 8.2808 8.2936 11.3336 11.3349 11.8074 11.8148 k = 0.3333 0.5000-0.0000 ( 5952 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8662 -31.8662 -31.8657 -31.8657 -7.0157 -7.0150 -6.6587 -6.6587 -6.5105 -6.5095 -6.3858 -6.3857 0.9081 0.9149 1.0628 1.0651 1.2398 1.2447 1.8256 1.8336 1.9719 1.9732 2.0549 2.0787 2.0908 2.0971 2.2837 2.2982 2.4233 2.4302 2.4435 2.4683 2.8314 2.8503 2.8576 2.8685 3.6269 3.6357 3.7890 3.8084 3.8563 3.8780 3.9650 3.9749 4.0498 4.0586 4.1139 4.1227 4.2225 4.2842 4.3676 4.3996 4.5291 4.5595 4.6038 4.6610 4.7953 4.8192 4.8326 4.8743 5.4073 5.4121 5.5030 5.5356 5.9804 5.9872 7.5614 7.5737 7.7880 7.8007 7.8425 7.8453 8.2280 8.2309 8.2879 8.3003 11.3623 11.3632 11.7666 11.7727 k = 0.3500 0.5000-0.0000 ( 5972 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8662 -31.8662 -31.8657 -31.8657 -7.0004 -6.9997 -6.6531 -6.6531 -6.5264 -6.5255 -6.3911 -6.3910 0.9240 0.9305 1.0631 1.0653 1.2263 1.2307 1.8451 1.8530 1.9656 1.9667 2.0568 2.0794 2.0925 2.0976 2.2646 2.2790 2.4309 2.4356 2.4436 2.4700 2.8119 2.8318 2.8374 2.8475 3.6296 3.6386 3.7940 3.8139 3.8562 3.8775 3.9705 3.9718 4.0534 4.0543 4.1127 4.1287 4.2160 4.2706 4.3854 4.4168 4.5409 4.5753 4.6060 4.6660 4.7801 4.8024 4.8150 4.8545 5.4108 5.4180 5.4898 5.5198 6.0113 6.0185 7.5673 7.5785 7.8013 7.8154 7.8356 7.8401 8.2438 8.2466 8.2943 8.3060 11.3892 11.3897 11.7251 11.7300 k = 0.3667 0.5000-0.0000 ( 5966 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8662 -31.8662 -31.8657 -31.8657 -6.9852 -6.9845 -6.6477 -6.6477 -6.5422 -6.5413 -6.3963 -6.3962 0.9402 0.9464 1.0634 1.0654 1.2122 1.2161 1.8656 1.8734 1.9598 1.9608 2.0592 2.0801 2.0943 2.0981 2.2447 2.2591 2.4341 2.4387 2.4485 2.4739 2.7937 2.8144 2.8185 2.8274 3.6323 3.6411 3.7992 3.8192 3.8559 3.8764 3.9668 3.9785 4.0479 4.0560 4.1143 4.1352 4.2108 4.2572 4.4042 4.4340 4.5519 4.5885 4.6096 4.6694 4.7650 4.7863 4.7983 4.8348 5.4135 5.4224 5.4781 5.5049 6.0410 6.0482 7.5725 7.5826 7.8050 7.8141 7.8451 7.8453 8.2586 8.2611 8.3000 8.3108 11.4139 11.4141 11.6849 11.6887 k = 0.3833 0.5000-0.0000 ( 5960 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8662 -31.8662 -31.8657 -31.8657 -6.9704 -6.9697 -6.6425 -6.6425 -6.5576 -6.5567 -6.4012 -6.4011 0.9568 0.9625 1.0636 1.0655 1.1976 1.2009 1.8871 1.8946 1.9547 1.9554 2.0618 2.0807 2.0964 2.0986 2.2242 2.2385 2.4340 2.4397 2.4569 2.4797 2.7769 2.7981 2.8012 2.8085 3.6348 3.6433 3.8045 3.8241 3.8555 3.8749 3.9640 3.9848 4.0403 4.0575 4.1179 4.1421 4.2067 4.2442 4.4236 4.4511 4.5624 4.5970 4.6163 4.6705 4.7499 4.7714 4.7828 4.8155 5.4155 5.4257 5.4680 5.4911 6.0688 6.0757 7.5770 7.5860 7.8011 7.8063 7.8581 7.8617 8.2722 8.2743 8.3049 8.3147 11.4361 11.4363 11.6473 11.6502 k = 0.4000 0.5000-0.0000 ( 5952 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8662 -31.8662 -31.8657 -31.8657 -6.9561 -6.9555 -6.6378 -6.6378 -6.5722 -6.5713 -6.4057 -6.4056 0.9735 0.9787 1.0639 1.0656 1.1824 1.1850 1.9093 1.9163 1.9502 1.9507 2.0646 2.0813 2.0985 2.0990 2.2030 2.2173 2.4333 2.4394 2.4659 2.4862 2.7618 2.7832 2.7855 2.7910 3.6372 3.6451 3.8098 3.8286 3.8549 3.8729 3.9621 3.9903 4.0325 4.0579 4.1229 4.1490 4.2034 4.2319 4.4435 4.4681 4.5723 4.6008 4.6257 4.6684 4.7353 4.7582 4.7688 4.7970 5.4169 5.4281 5.4596 5.4786 6.0941 6.1004 7.5810 7.5887 7.7952 7.7986 7.8730 7.8777 8.2844 8.2859 8.3093 8.3178 11.4556 11.4560 11.6132 11.6154 k = 0.4167 0.5000-0.0000 ( 5960 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8662 -31.8662 -31.8657 -31.8657 -6.9429 -6.9423 -6.6336 -6.6336 -6.5858 -6.5849 -6.4098 -6.4097 0.9904 0.9951 1.0641 1.0656 1.1668 1.1688 1.9316 1.9370 1.9471 1.9481 2.0674 2.0816 2.0992 2.1006 2.1813 2.1958 2.4326 2.4384 2.4747 2.4926 2.7488 2.7698 2.7717 2.7752 3.6394 3.6464 3.8151 3.8327 3.8542 3.8705 3.9612 3.9940 4.0261 4.0570 4.1288 4.1557 4.2007 4.2202 4.4637 4.4850 4.5815 4.6015 4.6352 4.6624 4.7217 4.7476 4.7567 4.7796 5.4178 5.4296 5.4530 5.4675 6.1163 6.1219 7.5844 7.5909 7.7896 7.7919 7.8873 7.8920 8.2949 8.2958 8.3131 8.3200 11.4723 11.4729 11.5832 11.5848 k = 0.4333 0.5000-0.0000 ( 5952 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8662 -31.8662 -31.8657 -31.8657 -6.9310 -6.9305 -6.6301 -6.6300 -6.5978 -6.5971 -6.4133 -6.4132 1.0074 1.0115 1.0643 1.0656 1.1510 1.1523 1.9411 1.9417 1.9567 1.9633 2.0700 2.0819 2.0991 2.1026 2.1592 2.1742 2.4322 2.4372 2.4829 2.4982 2.7383 2.7582 2.7600 2.7613 3.6414 3.6474 3.8202 3.8361 3.8534 3.8679 3.9614 3.9943 4.0233 4.0550 4.1355 4.1621 4.1983 4.2094 4.4842 4.5018 4.5896 4.5999 4.6431 4.6530 4.7102 4.7396 4.7468 4.7637 5.4184 5.4304 5.4483 5.4581 6.1352 6.1398 7.5873 7.5925 7.7847 7.7863 7.9000 7.9043 8.3037 8.3038 8.3165 8.3216 11.4861 11.4868 11.5580 11.5591 k = 0.4500 0.5000-0.0000 ( 5956 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8662 -31.8662 -31.8657 -31.8657 -6.9209 -6.9205 -6.6273 -6.6272 -6.6078 -6.6071 -6.4162 -6.4161 1.0244 1.0277 1.0645 1.0657 1.1351 1.1356 1.9390 1.9395 1.9794 1.9853 2.0723 2.0820 2.0984 2.1044 2.1371 2.1531 2.4319 2.4359 2.4904 2.5025 2.7305 2.7476 2.7505 2.7506 3.6433 3.6479 3.8250 3.8385 3.8528 3.8650 3.9628 3.9907 4.0247 4.0520 4.1426 4.1675 4.1960 4.1997 4.5049 4.5183 4.5949 4.5956 4.6425 4.6481 4.7024 4.7331 4.7394 4.7501 5.4190 5.4301 5.4451 5.4507 6.1503 6.1539 7.5897 7.5936 7.7809 7.7820 7.9105 7.9140 8.3097 8.3105 8.3196 8.3227 11.4970 11.4977 11.5379 11.5386 k = 0.4667 0.5000-0.0000 ( 5952 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8663 -31.8663 -31.8657 -31.8657 -6.9132 -6.9129 -6.6258 -6.6255 -6.6150 -6.6144 -6.4183 -6.4183 1.0408 1.0432 1.0649 1.0660 1.1193 1.1194 1.9373 1.9376 2.0018 2.0066 2.0742 2.0821 2.0963 2.1053 2.1163 2.1341 2.4320 2.4347 2.4967 2.5051 2.7258 2.7380 2.7434 2.7437 3.6449 3.6481 3.8295 3.8396 3.8531 3.8622 3.9653 3.9851 4.0287 4.0482 4.1500 4.1710 4.1918 4.1936 4.5254 4.5343 4.5882 4.5936 4.6357 4.6490 4.6997 4.7260 4.7348 4.7402 5.4199 5.4287 5.4431 5.4457 6.1615 6.1639 7.5916 7.5942 7.7782 7.7789 7.9184 7.9209 8.3136 8.3150 8.3224 8.3236 11.5048 11.5054 11.5235 11.5238 k = 0.4833 0.5000-0.0000 ( 5932 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8663 -31.8663 -31.8657 -31.8657 -6.9083 -6.9082 -6.6257 -6.6255 -6.6185 -6.6182 -6.4196 -6.4196 1.0551 1.0561 1.0659 1.0672 1.1045 1.1051 1.9363 1.9364 2.0215 2.0244 2.0757 2.0820 2.0918 2.0946 2.1098 2.1200 2.4323 2.4337 2.5016 2.5059 2.7243 2.7306 2.7392 2.7394 3.6462 3.6479 3.8335 3.8389 3.8545 3.8594 3.9690 3.9791 4.0336 4.0437 4.1576 4.1704 4.1879 4.1911 4.5454 4.5496 4.5782 4.5830 4.6363 4.6461 4.7023 4.7173 4.7327 4.7350 5.4214 5.4263 5.4422 5.4431 6.1686 6.1698 7.5930 7.5943 7.7767 7.7770 7.9236 7.9249 8.3160 8.3171 8.3242 8.3245 11.5091 11.5095 11.5152 11.5152 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8663 -31.8663 -31.8657 -31.8657 -6.9066 -6.9066 -6.6261 -6.6261 -6.6191 -6.6191 -6.4200 -6.4200 1.0607 1.0607 1.0692 1.0692 1.0972 1.0972 1.9360 1.9360 2.0317 2.0317 2.0788 2.0788 2.0872 2.0872 2.1127 2.1127 2.4329 2.4329 2.5047 2.5047 2.7260 2.7260 2.7379 2.7379 3.6472 3.6472 3.8367 3.8367 3.8567 3.8567 3.9737 3.9737 4.0388 4.0388 4.1649 4.1649 4.1887 4.1887 4.5603 4.5603 4.5698 4.5698 4.6411 4.6411 4.7088 4.7088 4.7328 4.7328 5.4236 5.4236 5.4422 5.4422 6.1713 6.1713 7.5939 7.5939 7.7763 7.7763 7.9258 7.9258 8.3172 8.3172 8.3249 8.3249 11.5097 11.5097 11.5134 11.5134 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8663 -31.8663 -31.8657 -31.8657 -6.9066 -6.9066 -6.6261 -6.6261 -6.6191 -6.6191 -6.4200 -6.4200 1.0607 1.0607 1.0692 1.0692 1.0972 1.0972 1.9360 1.9360 2.0317 2.0317 2.0788 2.0788 2.0872 2.0872 2.1127 2.1127 2.4329 2.4329 2.5047 2.5047 2.7260 2.7260 2.7379 2.7379 3.6472 3.6472 3.8367 3.8367 3.8567 3.8567 3.9737 3.9737 4.0388 4.0388 4.1649 4.1649 4.1887 4.1887 4.5603 4.5603 4.5698 4.5698 4.6411 4.6411 4.7088 4.7088 4.7328 4.7328 5.4236 5.4236 5.4422 5.4422 6.1713 6.1713 7.5939 7.5939 7.7763 7.7763 7.9258 7.9258 8.3172 8.3172 8.3249 8.3249 11.5097 11.5097 11.5134 11.5134 k = 0.4881 0.4881-0.0000 ( 5940 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8663 -31.8663 -31.8657 -31.8657 -6.9083 -6.9082 -6.6255 -6.6254 -6.6186 -6.6183 -6.4196 -6.4196 1.0556 1.0562 1.0653 1.0667 1.1048 1.1054 1.9363 1.9364 2.0214 2.0241 2.0736 2.0864 2.0914 2.0925 2.1113 2.1190 2.4323 2.4337 2.5016 2.5059 2.7243 2.7304 2.7392 2.7397 3.6462 3.6479 3.8333 3.8390 3.8544 3.8594 3.9689 3.9792 4.0336 4.0437 4.1574 4.1707 4.1871 4.1917 4.5464 4.5480 4.5793 4.5823 4.6362 4.6462 4.7022 4.7174 4.7327 4.7349 5.4214 5.4264 5.4423 5.4430 6.1685 6.1697 7.5930 7.5943 7.7767 7.7770 7.9236 7.9249 8.3157 8.3172 8.3242 8.3246 11.5067 11.5072 11.5175 11.5177 k = 0.4762 0.4762-0.0000 ( 5960 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8663 -31.8663 -31.8657 -31.8657 -6.9134 -6.9131 -6.6238 -6.6236 -6.6169 -6.6162 -6.4183 -6.4182 1.0426 1.0445 1.0620 1.0628 1.1206 1.1209 1.9374 1.9374 2.0014 2.0056 2.0678 2.0919 2.0958 2.1052 2.1205 2.1283 2.4319 2.4348 2.4970 2.5052 2.7255 2.7352 2.7437 2.7465 3.6449 3.6481 3.8291 3.8404 3.8525 3.8622 3.9651 3.9852 4.0289 4.0480 4.1493 4.1733 4.1858 4.1979 4.5267 4.5315 4.5912 4.5923 4.6349 4.6490 4.6999 4.7268 4.7354 4.7390 5.4197 5.4295 5.4436 5.4448 6.1613 6.1638 7.5916 7.5942 7.7783 7.7789 7.9183 7.9208 8.3116 8.3153 8.3230 8.3245 11.4942 11.4949 11.5341 11.5347 k = 0.4643 0.4643-0.0000 ( 5952 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8662 -31.8662 -31.8657 -31.8657 -6.9216 -6.9212 -6.6212 -6.6209 -6.6136 -6.6127 -6.4161 -6.4160 1.0279 1.0306 1.0578 1.0584 1.1389 1.1392 1.9385 1.9394 1.9779 1.9840 2.0623 2.0887 2.1049 2.1171 2.1362 2.1410 2.4318 2.4362 2.4920 2.5030 2.7284 2.7393 2.7520 2.7589 3.6433 3.6480 3.8242 3.8412 3.8510 3.8650 3.9623 3.9908 4.0256 4.0514 4.1410 4.1727 4.1844 4.2073 4.5062 4.5144 4.5936 4.6007 4.6401 4.6478 4.7038 4.7338 4.7440 4.7450 5.4188 5.4327 5.4462 5.4474 6.1501 6.1537 7.5897 7.5936 7.7810 7.7820 7.9103 7.9138 8.3042 8.3099 8.3229 8.3253 11.4736 11.4747 11.5619 11.5627 k = 0.4524 0.4524-0.0000 ( 5960 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8662 -31.8662 -31.8657 -31.8657 -6.9325 -6.9320 -6.6179 -6.6176 -6.6090 -6.6077 -6.4131 -6.4130 1.0129 1.0162 1.0521 1.0527 1.1584 1.1593 1.9367 1.9413 1.9537 1.9643 2.0572 2.0847 2.1143 2.1268 2.1527 2.1558 2.4318 2.4379 2.4875 2.5002 2.7322 2.7436 2.7644 2.7748 3.6414 3.6475 3.8188 3.8416 3.8497 3.8675 3.9603 3.9944 4.0254 4.0537 4.1325 4.1699 4.1830 4.2191 4.4854 4.4969 4.5884 4.6066 4.6434 4.6492 4.7135 4.7391 4.7526 4.7575 5.4184 5.4360 5.4501 5.4507 6.1349 6.1396 7.5873 7.5926 7.7847 7.7863 7.8997 7.9041 8.2939 8.3012 8.3238 8.3266 11.4459 11.4472 11.6001 11.6009 k = 0.4405 0.4405-0.0000 ( 5960 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8662 -31.8662 -31.8657 -31.8657 -6.9459 -6.9453 -6.6142 -6.6137 -6.6030 -6.6016 -6.4095 -6.4093 0.9979 1.0017 1.0449 1.0454 1.1792 1.1807 1.9223 1.9247 1.9480 1.9571 2.0527 2.0807 2.1243 2.1354 2.1682 2.1703 2.4322 2.4401 2.4844 2.4979 2.7366 2.7487 2.7802 2.7932 3.6394 3.6466 3.8133 3.8417 3.8484 3.8695 3.9590 3.9946 4.0292 4.0549 4.1238 4.1657 4.1819 4.2326 4.4646 4.4792 4.5803 4.6078 4.6390 4.6582 4.7274 4.7452 4.7616 4.7734 5.4187 5.4396 5.4547 5.4548 6.1162 6.1219 7.5845 7.5911 7.7894 7.7916 7.8871 7.8920 8.2811 8.2900 8.3251 8.3283 11.4119 11.4134 11.6477 11.6482 k = 0.4286 0.4286-0.0000 ( 5962 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8662 -31.8662 -31.8657 -31.8657 -6.9613 -6.9607 -6.6098 -6.6092 -6.5961 -6.5945 -6.4052 -6.4050 0.9828 0.9871 1.0361 1.0367 1.2012 1.2033 1.8981 1.8983 1.9529 1.9597 2.0487 2.0768 2.1348 2.1438 2.1818 2.1833 2.4329 2.4426 2.4837 2.4969 2.7416 2.7546 2.7986 2.8133 3.6373 3.6454 3.8076 3.8416 3.8471 3.8711 3.9584 3.9925 4.0354 4.0549 4.1151 4.1602 4.1814 4.2473 4.4442 4.4616 4.5709 4.6031 4.6368 4.6654 4.7440 4.7527 4.7716 4.7913 5.4193 5.4437 5.4593 5.4599 6.0945 6.1010 7.5814 7.5891 7.7947 7.7979 7.8731 7.8780 8.2661 8.2764 8.3265 8.3301 11.3723 11.3740 11.7033 11.7034 k = 0.4167 0.4167-0.0000 ( 5958 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8662 -31.8662 -31.8657 -31.8657 -6.9784 -6.9778 -6.6048 -6.6040 -6.5885 -6.5868 -6.4004 -6.4002 0.9675 0.9722 1.0258 1.0264 1.2243 1.2270 1.8705 1.8718 1.9592 1.9653 2.0451 2.0733 2.1459 2.1524 2.1932 2.1940 2.4339 2.4455 2.4860 2.4981 2.7474 2.7613 2.8190 2.8346 3.6352 3.6438 3.8018 3.8414 3.8457 3.8722 3.9582 3.9896 4.0419 4.0541 4.1063 4.1537 4.1823 4.2630 4.4243 4.4442 4.5608 4.5939 4.6368 4.6704 4.7615 4.7625 4.7825 4.8106 5.4203 5.4485 5.4644 5.4649 6.0703 6.0776 7.5779 7.5869 7.8001 7.8051 7.8585 7.8625 8.2494 8.2611 8.3280 8.3318 11.3280 11.3297 11.7646 11.7657 k = 0.4048 0.4048-0.0000 ( 5962 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8662 -31.8662 -31.8657 -31.8657 -6.9970 -6.9964 -6.5991 -6.5982 -6.5803 -6.5785 -6.3953 -6.3950 0.9520 0.9570 1.0140 1.0147 1.2485 1.2517 1.8426 1.8442 1.9668 1.9726 2.0420 2.0700 2.1575 2.1611 2.2021 2.2021 2.4353 2.4489 2.4917 2.5022 2.7540 2.7686 2.8407 2.8568 3.6331 3.6420 3.7960 3.8412 3.8442 3.8730 3.9585 3.9865 4.0469 4.0524 4.0976 4.1460 4.1853 4.2791 4.4054 4.4270 4.5504 4.5823 4.6373 4.6730 4.7716 4.7822 4.7939 4.8311 5.4212 5.4541 5.4695 5.4699 6.0443 6.0521 7.5741 7.5842 7.8037 7.8124 7.8455 7.8465 8.2312 8.2442 8.3293 8.3333 11.2793 11.2811 11.8301 11.8326 k = 0.3929 0.3929-0.0000 ( 5970 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8662 -31.8662 -31.8657 -31.8657 -7.0168 -7.0162 -6.5928 -6.5918 -6.5718 -6.5699 -6.3899 -6.3896 0.9360 0.9414 1.0008 1.0015 1.2737 1.2775 1.8144 1.8162 1.9757 1.9811 2.0393 2.0669 2.1697 2.1703 2.2078 2.2084 2.4372 2.4528 2.5010 2.5094 2.7612 2.7767 2.8633 2.8796 3.6311 3.6399 3.7902 3.8409 3.8425 3.8734 3.9590 3.9836 4.0493 4.0502 4.0890 4.1374 4.1909 4.2945 4.3884 4.4101 4.5398 4.5692 4.6378 4.6737 4.7825 4.8014 4.8072 4.8525 5.4217 5.4606 5.4731 5.4758 6.0172 6.0254 7.5701 7.5813 7.8009 7.8157 7.8344 7.8389 8.2120 8.2261 8.3303 8.3345 11.2270 11.2287 11.8971 11.9014 k = 0.3810 0.3810-0.0000 ( 5974 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8662 -31.8661 -31.8657 -31.8657 -7.0375 -7.0369 -6.5859 -6.5848 -6.5629 -6.5610 -6.3843 -6.3840 0.9196 0.9252 0.9861 0.9869 1.2999 1.3042 1.7860 1.7878 1.9856 1.9907 2.0370 2.0640 2.1797 2.1824 2.2114 2.2126 2.4395 2.4572 2.5139 2.5198 2.7691 2.7854 2.8866 2.9028 3.6293 3.6375 3.7843 3.8406 3.8407 3.8735 3.9598 3.9811 4.0477 4.0487 4.0805 4.1279 4.1994 4.3068 4.3756 4.3937 4.5291 4.5553 4.6382 4.6729 4.7942 4.8147 4.8273 4.8744 5.4213 5.4676 5.4756 5.4822 5.9899 5.9982 7.5660 7.5782 7.7892 7.8040 7.8374 7.8415 8.1922 8.2073 8.3309 8.3352 11.1713 11.1729 11.9624 11.9687 k = 0.3690 0.3690-0.0000 ( 5970 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8661 -31.8661 -31.8657 -31.8657 -7.0590 -7.0584 -6.5784 -6.5772 -6.5537 -6.5518 -6.3787 -6.3784 0.9027 0.9083 0.9701 0.9710 1.3270 1.3317 1.7575 1.7593 1.9966 2.0009 2.0351 2.0612 2.1891 2.1953 2.2139 2.2152 2.4423 2.4620 2.5299 2.5334 2.7777 2.7946 2.9103 2.9262 3.6277 3.6349 3.7783 3.8388 3.8403 3.8734 3.9606 3.9789 4.0451 4.0452 4.0723 4.1177 4.2104 4.3107 4.3723 4.3780 4.5183 4.5408 4.6384 4.6710 4.8061 4.8257 4.8504 4.8970 5.4192 5.4720 5.4796 5.4893 5.9631 5.9714 7.5618 7.5750 7.7730 7.7863 7.8468 7.8489 8.1722 8.1881 8.3309 8.3354 11.1125 11.1139 12.0215 12.0298 k = 0.3571 0.3571-0.0000 ( 5974 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8661 -31.8661 -31.8657 -31.8657 -7.0810 -7.0805 -6.5703 -6.5690 -6.5444 -6.5424 -6.3732 -6.3728 0.8851 0.8908 0.9529 0.9539 1.3548 1.3601 1.7291 1.7308 2.0085 2.0111 2.0340 2.0586 2.1977 2.2067 2.2168 2.2187 2.4456 2.4672 2.5487 2.5498 2.7868 2.8044 2.9342 2.9495 3.6263 3.6321 3.7722 3.8369 3.8399 3.8733 3.9614 3.9770 4.0390 4.0423 4.0644 4.1069 4.2231 4.3036 4.3633 4.3807 4.5073 4.5259 4.6386 4.6682 4.8181 4.8359 4.8746 4.9200 5.4147 5.4698 5.4884 5.4972 5.9377 5.9458 7.5577 7.5717 7.7553 7.7676 7.8573 7.8580 8.1524 8.1689 8.3304 8.3349 11.0510 11.0522 12.0075 12.0151 k = 0.3452 0.3452-0.0000 ( 5966 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8661 -31.8661 -31.8657 -31.8657 -7.1035 -7.1030 -6.5617 -6.5603 -6.5348 -6.5329 -6.3678 -6.3673 0.8668 0.8726 0.9344 0.9355 1.3834 1.3891 1.7008 1.7023 2.0194 2.0209 2.0354 2.0559 2.2036 2.2116 2.2228 2.2287 2.4494 2.4728 2.5688 2.5699 2.7966 2.8147 2.9581 2.9728 3.6250 3.6291 3.7661 3.8349 3.8394 3.8732 3.9619 3.9753 4.0304 4.0395 4.0574 4.0959 4.2361 4.2905 4.3503 4.3959 4.4961 4.5105 4.6388 4.6650 4.8298 4.8453 4.9000 4.9435 5.4071 5.4634 5.4992 5.5062 5.9145 5.9222 7.5536 7.5684 7.7372 7.7488 7.8678 7.8683 8.1333 8.1500 8.3291 8.3337 10.9869 10.9878 11.9612 11.9692 k = 0.3333 0.3333-0.0000 ( 5960 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8661 -31.8661 -31.8657 -31.8657 -7.1263 -7.1258 -6.5526 -6.5511 -6.5251 -6.5232 -6.3625 -6.3620 0.8479 0.8536 0.9149 0.9160 1.4126 1.4186 1.6726 1.6740 2.0224 2.0333 2.0420 2.0533 2.2068 2.2130 2.2328 2.2431 2.4536 2.4788 2.5900 2.5930 2.8069 2.8254 2.9817 2.9957 3.6238 3.6259 3.7601 3.8328 3.8388 3.8733 3.9618 3.9738 4.0195 4.0367 4.0517 4.0850 4.2476 4.2753 4.3405 4.4134 4.4846 4.4950 4.6394 4.6617 4.8410 4.8538 4.9263 4.9676 5.3959 5.4530 5.5112 5.5163 5.8940 5.9015 7.5498 7.5651 7.7192 7.7302 7.8776 7.8793 8.1153 8.1319 8.3271 8.3317 10.9205 10.9210 11.9153 11.9232 k = 0.3214 0.3214-0.0000 ( 5964 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8660 -31.8660 -31.8657 -31.8656 -7.1491 -7.1487 -6.5430 -6.5414 -6.5153 -6.5133 -6.3575 -6.3570 0.8284 0.8340 0.8943 0.8956 1.4422 1.4485 1.6447 1.6459 2.0218 2.0452 2.0507 2.0512 2.2098 2.2146 2.2452 2.2589 2.4583 2.4851 2.6130 2.6178 2.8177 2.8366 3.0051 3.0184 3.6225 3.6225 3.7544 3.8307 3.8380 3.8737 3.9608 3.9723 4.0065 4.0336 4.0474 4.0750 4.2545 4.2595 4.3362 4.4310 4.4726 4.4800 4.6402 4.6586 4.8516 4.8615 4.9535 4.9924 5.3808 5.4384 5.5243 5.5276 5.8767 5.8839 7.5463 7.5621 7.7015 7.7120 7.8867 7.8899 8.0990 8.1150 8.3243 8.3289 10.8518 10.8520 11.8700 11.8778 k = 0.3095 0.3095-0.0000 ( 5970 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8660 -31.8660 -31.8656 -31.8656 -7.1721 -7.1717 -6.5331 -6.5314 -6.5053 -6.5034 -6.3528 -6.3522 0.8083 0.8138 0.8728 0.8742 1.4721 1.4786 1.6172 1.6180 2.0202 2.0480 2.0557 2.0600 2.2144 2.2181 2.2590 2.2755 2.4634 2.4917 2.6376 2.6440 2.8290 2.8482 3.0280 3.0405 3.6187 3.6209 3.7492 3.8286 3.8370 3.8745 3.9582 3.9708 3.9920 4.0303 4.0446 4.0666 4.2438 4.2544 4.3397 4.4436 4.4602 4.4698 4.6416 4.6559 4.8613 4.8683 4.9818 5.0179 5.3619 5.4197 5.5382 5.5399 5.8627 5.8696 7.5431 7.5592 7.6843 7.6942 7.8946 7.8995 8.0851 8.1000 8.3207 8.3253 10.7810 10.7812 11.8260 11.8334 k = 0.2976 0.2976-0.0000 ( 5952 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8660 -31.8660 -31.8656 -31.8656 -7.1949 -7.1946 -6.5227 -6.5210 -6.4953 -6.4933 -6.3485 -6.3478 0.7876 0.7930 0.8506 0.8520 1.5022 1.5086 1.5903 1.5906 2.0183 2.0454 2.0642 2.0670 2.2217 2.2243 2.2738 2.2927 2.4690 2.4985 2.6636 2.6714 2.8408 2.8602 3.0504 3.0621 3.6147 3.6189 3.7449 3.8263 3.8357 3.8759 3.9534 3.9694 3.9763 4.0270 4.0432 4.0604 4.2286 4.2479 4.3500 4.4376 4.4475 4.4778 4.6435 4.6540 4.8701 4.8742 5.0112 5.0443 5.3396 5.3973 5.5528 5.5532 5.8517 5.8586 7.5403 7.5566 7.6677 7.6771 7.9007 7.9076 8.0742 8.0874 8.3163 8.3208 10.7082 10.7087 11.7834 11.7904 k = 0.2857 0.2857-0.0000 ( 5944 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8659 -31.8659 -31.8656 -31.8656 -7.2176 -7.2173 -6.5121 -6.5103 -6.4852 -6.4832 -6.3444 -6.3438 0.7666 0.7717 0.8276 0.8291 1.5320 1.5367 1.5639 1.5657 2.0161 2.0425 2.0700 2.0716 2.2322 2.2339 2.2895 2.3105 2.4748 2.5055 2.6909 2.6998 2.8531 2.8726 3.0720 3.0830 3.6104 3.6161 3.7419 3.8237 3.8341 3.8779 3.9459 3.9593 3.9683 4.0242 4.0431 4.0564 4.2140 4.2376 4.3637 4.4223 4.4348 4.4945 4.6462 4.6529 4.8781 4.8794 5.0415 5.0716 5.3144 5.3717 5.5672 5.5680 5.8435 5.8504 7.5381 7.5543 7.6518 7.6607 7.9043 7.9135 8.0670 8.0779 8.3110 8.3155 10.6336 10.6345 11.7425 11.7489 k = 0.2738 0.2738-0.0000 ( 5942 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8659 -31.8659 -31.8656 -31.8656 -7.2400 -7.2397 -6.5012 -6.4994 -6.4750 -6.4731 -6.3408 -6.3401 0.7452 0.7501 0.8041 0.8057 1.5332 1.5357 1.5636 1.5731 2.0137 2.0396 2.0729 2.0736 2.2459 2.2469 2.3058 2.3288 2.4810 2.5126 2.7191 2.7291 2.8659 2.8854 3.0929 3.1031 3.6056 3.6122 3.7404 3.8206 3.8323 3.8805 3.9359 3.9420 3.9670 4.0224 4.0440 4.0541 4.2001 4.2255 4.3772 4.4053 4.4238 4.5121 4.6497 4.6528 4.8840 4.8851 5.0727 5.0998 5.2870 5.3436 5.5817 5.5835 5.8374 5.8444 7.5363 7.5523 7.6366 7.6450 7.9051 7.9167 8.0638 8.0722 8.3049 8.3093 10.5574 10.5587 11.7034 11.7092 k = 0.2619 0.2619-0.0000 ( 5942 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8659 -31.8659 -31.8656 -31.8656 -7.2620 -7.2618 -6.4902 -6.4883 -6.4649 -6.4630 -6.3374 -6.3368 0.7236 0.7283 0.7802 0.7818 1.5085 1.5101 1.5930 1.6018 2.0112 2.0367 2.0733 2.0733 2.2625 2.2631 2.3228 2.3473 2.4875 2.5197 2.7483 2.7590 2.8792 2.8986 3.1129 3.1223 3.6004 3.6071 3.7407 3.8167 3.8299 3.8837 3.9239 3.9244 3.9660 4.0218 4.0459 4.0530 4.1872 4.2127 4.3830 4.3878 4.4210 4.5295 4.6537 4.6540 4.8879 4.8913 5.1048 5.1288 5.2581 5.3137 5.5964 5.5992 5.8330 5.8400 7.5350 7.5506 7.6222 7.6300 7.9034 7.9171 8.0644 8.0703 8.2981 8.3024 10.4799 10.4814 11.6664 11.6714 k = 0.2500 0.2500-0.0000 ( 5942 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8659 -31.8659 -31.8656 -31.8656 -7.2836 -7.2834 -6.4790 -6.4771 -6.4547 -6.4529 -6.3345 -6.3338 0.7019 0.7063 0.7559 0.7577 1.4834 1.4846 1.6224 1.6311 2.0086 2.0336 2.0713 2.0716 2.2812 2.2817 2.3404 2.3662 2.4942 2.5268 2.7782 2.7895 2.8930 2.9123 3.1319 3.1406 3.5946 3.6006 3.7429 3.8115 3.8266 3.8868 3.9078 3.9110 3.9651 4.0221 4.0486 4.0526 4.1754 4.1996 4.3700 4.3752 4.4318 4.5463 4.6557 4.6592 4.8914 4.8966 5.1377 5.1580 5.2291 5.2827 5.6112 5.6148 5.8299 5.8368 7.5341 7.5491 7.6085 7.6159 7.8999 7.9150 8.0682 8.0720 8.2906 8.2948 10.4011 10.4029 11.6314 11.6357 k = 0.2381 0.2381-0.0000 ( 5926 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8658 -31.8658 -31.8656 -31.8656 -7.3047 -7.3045 -6.4677 -6.4658 -6.4447 -6.4429 -6.3319 -6.3312 0.6802 0.6844 0.7316 0.7333 1.4587 1.4596 1.6515 1.6602 2.0060 2.0305 2.0680 2.0683 2.3016 2.3022 2.3583 2.3851 2.5011 2.5338 2.8087 2.8204 2.9075 2.9264 3.1499 3.1578 3.5884 3.5929 3.7470 3.8045 3.8218 3.8844 3.8986 3.8988 3.9647 4.0230 4.0520 4.0525 4.1651 4.1867 4.3521 4.3612 4.4487 4.5623 4.6588 4.6655 4.8945 4.9012 5.1710 5.1803 5.2076 5.2516 5.6258 5.6301 5.8274 5.8342 7.5336 7.5478 7.5957 7.6025 7.8955 7.9112 8.0743 8.0766 8.2824 8.2865 10.3212 10.3232 11.5987 11.6022 k = 0.2262 0.2262-0.0000 ( 5932 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8658 -31.8658 -31.8656 -31.8656 -7.3251 -7.3250 -6.4564 -6.4545 -6.4347 -6.4329 -6.3296 -6.3289 0.6587 0.6627 0.7072 0.7090 1.4346 1.4353 1.6800 1.6887 2.0033 2.0273 2.0638 2.0640 2.3230 2.3239 2.3766 2.4041 2.5081 2.5408 2.8396 2.8516 2.9225 2.9410 3.1667 3.1740 3.5816 3.5841 3.7526 3.7949 3.8142 3.8727 3.8877 3.9019 3.9644 4.0239 4.0527 4.0559 4.1563 4.1740 4.3343 4.3452 4.4673 4.5775 4.6630 4.6728 4.8973 4.9052 5.1618 5.1988 5.2265 5.2277 5.6400 5.6449 5.8253 5.8318 7.5334 7.5466 7.5837 7.5900 7.8912 7.9069 8.0819 8.0830 8.2737 8.2776 10.2403 10.2425 11.5681 11.5709 k = 0.2143 0.2143-0.0000 ( 5938 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8658 -31.8658 -31.8656 -31.8656 -7.3450 -7.3448 -6.4452 -6.4433 -6.4249 -6.4232 -6.3277 -6.3270 0.6375 0.6412 0.6829 0.6847 1.4111 1.4118 1.7077 1.7164 2.0006 2.0241 2.0589 2.0590 2.3449 2.3463 2.3950 2.4228 2.5153 2.5475 2.8708 2.8829 2.9383 2.9561 3.1824 3.1891 3.5742 3.5743 3.7588 3.7830 3.8023 3.8627 3.8791 3.9080 3.9646 4.0242 4.0533 4.0602 4.1494 4.1617 4.3167 4.3284 4.4868 4.5919 4.6681 4.6810 4.8999 4.9085 5.1328 5.1823 5.2466 5.2596 5.6535 5.6591 5.8233 5.8294 7.5332 7.5452 7.5726 7.5784 7.8878 7.9029 8.0902 8.0906 8.2646 8.2683 10.1587 10.1609 11.5399 11.5419 k = 0.2024 0.2024-0.0000 ( 5936 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8657 -31.8657 -31.8655 -31.8655 -7.3641 -7.3639 -6.4341 -6.4322 -6.4152 -6.4136 -6.3260 -6.3253 0.6167 0.6202 0.6589 0.6607 1.3884 1.3890 1.7346 1.7432 1.9980 2.0208 2.0535 2.0539 2.3669 2.3689 2.4135 2.4413 2.5225 2.5541 2.9020 2.9141 2.9548 2.9717 3.1969 3.2030 3.5639 3.5663 3.7589 3.7752 3.7859 3.8563 3.8731 3.9151 3.9652 4.0234 4.0544 4.0648 4.1445 4.1499 4.2994 4.3115 4.5066 4.6054 4.6741 4.6903 4.9024 4.9112 5.1036 5.1521 5.2815 5.2932 5.6663 5.6724 5.8212 5.8268 7.5330 7.5435 7.5623 7.5675 7.8861 7.9000 8.0986 8.0987 8.2552 8.2587 10.0764 10.0787 11.5140 11.5153 k = 0.1905 0.1905-0.0000 ( 5940 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8657 -31.8657 -31.8655 -31.8655 -7.3824 -7.3823 -6.4231 -6.4214 -6.4058 -6.4042 -6.3246 -6.3240 0.5965 0.5996 0.6354 0.6371 1.3666 1.3670 1.7606 1.7691 1.9953 2.0176 2.0478 2.0486 2.3887 2.3913 2.4319 2.4593 2.5296 2.5604 2.9330 2.9451 2.9723 2.9879 3.2103 3.2157 3.5528 3.5578 3.7435 3.7664 3.7812 3.8526 3.8696 3.9228 3.9663 4.0210 4.0564 4.0696 4.1387 4.1416 4.2825 4.2945 4.5269 4.6183 4.6808 4.7004 4.9047 4.9133 5.0752 5.1217 5.3178 5.3277 5.6780 5.6846 5.8187 5.8237 7.5325 7.5414 7.5528 7.5575 7.8865 7.8991 8.1066 8.1070 8.2456 8.2489 9.9938 9.9960 11.4904 11.4910 k = 0.1786 0.1786-0.0000 ( 5938 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8657 -31.8657 -31.8655 -31.8655 -7.3998 -7.3998 -6.4125 -6.4108 -6.3967 -6.3951 -6.3235 -6.3229 0.5769 0.5798 0.6123 0.6141 1.3457 1.3460 1.7855 1.7938 1.9927 2.0143 2.0422 2.0434 2.4101 2.4134 2.4501 2.4767 2.5369 2.5664 2.9635 2.9757 2.9908 3.0047 3.2224 3.2273 3.5413 3.5489 3.7231 3.7447 3.7905 3.8507 3.8681 3.9307 3.9679 4.0170 4.0593 4.0744 4.1283 4.1405 4.2660 4.2778 4.5474 4.6305 4.6883 4.7113 4.9068 4.9147 5.0481 5.0920 5.3546 5.3628 5.6886 5.6957 5.8159 5.8202 7.5316 7.5385 7.5445 7.5483 7.8896 7.9005 8.1142 8.1148 8.2359 8.2390 9.9110 9.9131 11.4692 11.4692 k = 0.1667 0.1667-0.0000 ( 5928 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8657 -31.8657 -31.8655 -31.8655 -7.4164 -7.4163 -6.4021 -6.4005 -6.3879 -6.3864 -6.3226 -6.3220 0.5580 0.5607 0.5900 0.5918 1.3257 1.3260 1.8092 1.8173 1.9902 2.0110 2.0366 2.0382 2.4307 2.4348 2.4680 2.4933 2.5441 2.5721 2.9926 3.0058 3.0112 3.0222 3.2335 3.2378 3.5295 3.5395 3.7008 3.7216 3.8003 3.8498 3.8683 3.9385 3.9701 4.0118 4.0630 4.0789 4.1190 4.1409 4.2500 4.2616 4.5682 4.6423 4.6963 4.7228 4.9086 4.9153 5.0228 5.0637 5.3915 5.3981 5.6978 5.7054 5.8127 5.8163 7.5300 7.5338 7.5382 7.5400 7.8955 7.9047 8.1211 8.1218 8.2262 8.2291 9.8282 9.8303 11.4497 11.4504 k = 0.1548 0.1548-0.0000 ( 5936 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8656 -31.8656 -31.8655 -31.8655 -7.4321 -7.4320 -6.3921 -6.3906 -6.3794 -6.3780 -6.3219 -6.3213 0.5400 0.5425 0.5686 0.5702 1.3068 1.3070 1.8316 1.8395 1.9878 2.0077 2.0313 2.0332 2.4504 2.4552 2.4855 2.5090 2.5513 2.5775 3.0189 3.0346 3.0352 3.0403 3.2434 3.2472 3.5175 3.5296 3.6773 3.6975 3.8098 3.8494 3.8701 3.9458 3.9730 4.0058 4.0672 4.0828 4.1110 4.1425 4.2346 4.2460 4.5891 4.6536 4.7048 4.7347 4.9100 4.9144 5.0001 5.0368 5.4282 5.4333 5.7057 5.7136 5.8092 5.8119 7.5274 7.5276 7.5327 7.5337 7.9046 7.9120 8.1272 8.1279 8.2168 8.2194 9.7459 9.7477 11.4326 11.4339 k = 0.1429 0.1429-0.0000 ( 5928 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8656 -31.8656 -31.8655 -31.8655 -7.4467 -7.4467 -6.3826 -6.3812 -6.3714 -6.3700 -6.3214 -6.3208 0.5230 0.5252 0.5481 0.5497 1.2890 1.2891 1.8527 1.8603 1.9855 2.0044 2.0263 2.0285 2.4690 2.4745 2.5024 2.5237 2.5586 2.5826 3.0423 3.0589 3.0612 3.0638 3.2523 3.2555 3.5054 3.5193 3.6530 3.6728 3.8186 3.8493 3.8735 3.9521 3.9768 3.9994 4.0717 4.0853 4.1051 4.1450 4.2198 4.2314 4.6100 4.6646 4.7136 4.7468 4.9108 4.9115 4.9809 5.0121 5.4645 5.4683 5.7120 5.7203 5.8054 5.8073 7.5211 7.5235 7.5271 7.5294 7.9167 7.9225 8.1323 8.1330 8.2076 8.2101 9.6642 9.6659 11.4179 11.4196 k = 0.1310 0.1310-0.0000 ( 5938 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8656 -31.8656 -31.8655 -31.8655 -7.4604 -7.4603 -6.3736 -6.3723 -6.3638 -6.3625 -6.3210 -6.3204 0.5070 0.5090 0.5287 0.5302 1.2723 1.2724 1.8723 1.8795 1.9833 2.0011 2.0217 2.0241 2.4863 2.4924 2.5187 2.5373 2.5658 2.5872 3.0646 3.0783 3.0887 3.0914 3.2601 3.2629 3.4932 3.5087 3.6280 3.6476 3.8263 3.8494 3.8785 3.9573 3.9810 3.9929 4.0762 4.0853 4.1024 4.1481 4.2055 4.2178 4.6307 4.6751 4.7227 4.7590 4.9052 4.9102 4.9665 4.9902 5.4998 5.5024 5.7168 5.7252 5.8015 5.8026 7.5153 7.5181 7.5230 7.5247 7.9319 7.9362 8.1364 8.1370 8.1989 8.2012 9.5837 9.5851 11.4055 11.4075 k = 0.1190 0.1190-0.0000 ( 5944 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8656 -31.8656 -31.8655 -31.8655 -7.4729 -7.4729 -6.3651 -6.3639 -6.3567 -6.3555 -6.3207 -6.3202 0.4922 0.4939 0.5105 0.5119 1.2568 1.2569 1.8904 1.8971 1.9812 1.9977 2.0177 2.0201 2.5022 2.5087 2.5341 2.5497 2.5731 2.5916 3.0870 3.0983 3.1160 3.1180 3.2670 3.2694 3.4809 3.4976 3.6027 3.6219 3.8327 3.8497 3.8851 3.9615 3.9852 3.9868 4.0808 4.0834 4.1025 4.1515 4.1920 4.2057 4.6509 4.6852 4.7320 4.7711 4.8954 4.9072 4.9575 4.9724 5.5339 5.5355 5.7200 5.7284 5.7976 5.7980 7.5101 7.5127 7.5189 7.5199 7.9499 7.9530 8.1394 8.1400 8.1908 8.1929 9.5048 9.5059 11.3952 11.3975 k = 0.1071 0.1071-0.0000 ( 5932 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8655 -31.8655 -7.4844 -7.4844 -6.3573 -6.3563 -6.3501 -6.3490 -6.3206 -6.3200 0.4785 0.4801 0.4937 0.4950 1.2427 1.2427 1.9069 1.9131 1.9794 1.9944 2.0143 2.0165 2.5167 2.5232 2.5486 2.5611 2.5804 2.5956 3.1098 3.1189 3.1426 3.1434 3.2731 3.2750 3.4687 3.4862 3.5771 3.5961 3.8377 3.8500 3.8929 3.9650 3.9812 3.9888 4.0814 4.0851 4.1034 4.1550 4.1791 4.1953 4.6700 4.6947 4.7415 4.7829 4.8832 4.9006 4.9528 4.9601 5.5663 5.5672 5.7217 5.7298 5.7940 5.7941 7.5055 7.5079 7.5146 7.5149 7.9705 7.9726 8.1415 8.1419 8.1834 8.1853 9.4280 9.4289 11.3870 11.3895 k = 0.0952 0.0952-0.0000 ( 5932 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8655 -31.8655 -7.4948 -7.4947 -6.3502 -6.3493 -6.3440 -6.3430 -6.3205 -6.3200 0.4661 0.4675 0.4784 0.4796 1.2298 1.2299 1.9217 1.9273 1.9777 1.9911 2.0115 2.0135 2.5297 2.5357 2.5620 2.5715 2.5874 2.5992 3.1331 3.1400 3.1676 3.1680 3.2783 3.2799 3.4565 3.4746 3.5515 3.5700 3.8417 3.8504 3.9015 3.9678 3.9762 3.9910 4.0804 4.0891 4.1039 4.1584 4.1671 4.1868 4.6873 4.7034 4.7515 4.7940 4.8706 4.8904 4.9508 4.9533 5.5965 5.5967 5.7221 5.7296 5.7906 5.7910 7.5015 7.5036 7.5100 7.5102 7.9931 7.9944 8.1425 8.1428 8.1768 8.1785 9.3541 9.3548 11.3806 11.3832 k = 0.0833 0.0833-0.0000 ( 5930 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8655 -31.8655 -7.5039 -7.5039 -6.3439 -6.3431 -6.3386 -6.3376 -6.3204 -6.3199 0.4550 0.4562 0.4646 0.4657 1.2184 1.2184 1.9346 1.9396 1.9762 1.9880 2.0094 2.0111 2.5410 2.5462 2.5742 2.5811 2.5941 2.6026 3.1569 3.1616 3.1904 3.1923 3.2828 3.2841 3.4444 3.4626 3.5259 3.5438 3.8448 3.8508 3.9105 3.9701 3.9720 3.9918 4.0809 4.0926 4.1035 4.1549 4.1625 4.1806 4.7020 4.7112 4.7621 4.8044 4.8589 4.8783 4.9503 4.9506 5.6238 5.6240 5.7213 5.7280 5.7881 5.7886 7.4981 7.4999 7.5053 7.5059 8.0172 8.0179 8.1427 8.1429 8.1712 8.1727 9.2838 9.2843 11.3759 11.3786 k = 0.0714 0.0714-0.0000 ( 5930 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8655 -31.8655 -7.5120 -7.5120 -6.3383 -6.3377 -6.3337 -6.3329 -6.3203 -6.3199 0.4453 0.4463 0.4525 0.4534 1.2083 1.2084 1.9456 1.9500 1.9749 1.9850 2.0079 2.0093 2.5508 2.5547 2.5850 2.5899 2.6002 2.6057 3.1811 3.1836 3.2119 3.2151 3.2866 3.2875 3.4324 3.4504 3.5005 3.5176 3.8473 3.8511 3.9196 3.9687 3.9717 3.9912 4.0825 4.0956 4.1021 4.1445 4.1653 4.1765 4.7135 4.7177 4.7735 4.8136 4.8491 4.8664 4.9500 4.9504 5.6477 5.6482 5.7196 5.7254 5.7866 5.7871 7.4952 7.4967 7.5009 7.5017 8.0420 8.0423 8.1423 8.1424 8.1665 8.1679 9.2181 9.2185 11.3727 11.3752 k = 0.0595 0.0595-0.0000 ( 5936 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8655 -31.8655 -7.5188 -7.5188 -6.3337 -6.3333 -6.3295 -6.3287 -6.3203 -6.3199 0.4371 0.4379 0.4421 0.4429 1.1998 1.1998 1.9547 1.9583 1.9739 1.9822 2.0072 2.0082 2.5588 2.5615 2.5943 2.5977 2.6054 2.6085 3.2054 3.2058 3.2318 3.2363 3.2896 3.2904 3.4208 3.4381 3.4755 3.4915 3.8492 3.8514 3.9287 3.9664 3.9727 3.9893 4.0850 4.0980 4.1003 4.1346 4.1680 4.1742 4.7214 4.7228 4.7856 4.8214 4.8415 4.8557 4.9505 4.9510 5.6680 5.6687 5.7175 5.7222 5.7861 5.7865 7.4928 7.4940 7.4971 7.4979 8.0663 8.0663 8.1417 8.1417 8.1628 8.1640 9.1583 9.1585 11.3708 11.3739 k = 0.0476 0.0476-0.0000 ( 5953 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8655 -31.8655 -7.5244 -7.5244 -6.3299 -6.3297 -6.3259 -6.3253 -6.3202 -6.3198 0.4302 0.4309 0.4335 0.4342 1.1927 1.1927 1.9618 1.9646 1.9731 1.9797 2.0071 2.0077 2.5652 2.5667 2.6021 2.6044 2.6096 2.6109 3.2280 3.2294 3.2501 3.2556 3.2921 3.2927 3.4096 3.4257 3.4511 3.4659 3.8505 3.8517 3.9374 3.9651 3.9728 3.9865 4.0878 4.0985 4.0997 4.1255 4.1702 4.1733 4.7263 4.7264 4.7975 4.8276 4.8360 4.8470 4.9514 4.9517 5.6843 5.6851 5.7152 5.7189 5.7868 5.7870 7.4909 7.4919 7.4938 7.4945 8.0884 8.0884 8.1415 8.1415 8.1600 8.1610 9.1058 9.1059 11.3714 11.3722 k = 0.0357 0.0357-0.0000 ( 5975 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8655 -31.8655 -7.5288 -7.5288 -6.3272 -6.3271 -6.3231 -6.3226 -6.3200 -6.3196 0.4249 0.4254 0.4268 0.4273 1.1871 1.1871 1.9670 1.9690 1.9727 1.9776 2.0075 2.0078 2.5700 2.5707 2.6082 2.6097 2.6128 2.6131 3.2497 3.2528 3.2665 3.2725 3.2940 3.2945 3.3994 3.4135 3.4280 3.4410 3.8514 3.8520 3.9458 3.9646 3.9722 3.9829 4.0907 4.0974 4.1007 4.1174 4.1719 4.1732 4.7287 4.7289 4.8085 4.8317 4.8326 4.8404 4.9523 4.9525 5.6964 5.6971 5.7132 5.7159 5.7882 5.7883 7.4894 7.4902 7.4911 7.4918 8.1061 8.1062 8.1431 8.1431 8.1580 8.1587 9.0621 9.0622 11.3696 11.3712 k = 0.0238 0.0238-0.0000 ( 5983 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8654 -31.8654 -7.5319 -7.5319 -6.3254 -6.3254 -6.3209 -6.3206 -6.3196 -6.3194 0.4211 0.4215 0.4220 0.4223 1.1832 1.1832 1.9704 1.9717 1.9726 1.9758 2.0081 2.0082 2.5733 2.5735 2.6127 2.6136 2.6148 2.6151 3.2700 3.2740 3.2804 3.2859 3.2953 3.2958 3.3912 3.4023 3.4074 3.4180 3.8520 3.8522 3.9537 3.9650 3.9709 3.9785 4.0933 4.0975 4.1010 4.1104 4.1731 4.1735 4.7300 4.7301 4.8180 4.8307 4.8336 4.8358 4.9531 4.9531 5.7045 5.7050 5.7116 5.7133 5.7900 5.7900 7.4884 7.4889 7.4892 7.4897 8.1168 8.1169 8.1476 8.1477 8.1566 8.1571 9.0291 9.0291 11.3697 11.3702 k = 0.0119 0.0119-0.0000 ( 6011 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8654 -31.8654 -31.8654 -31.8654 -7.5338 -7.5338 -6.3245 -6.3245 -6.3196 -6.3194 -6.3193 -6.3192 0.4189 0.4191 0.4191 0.4193 1.1807 1.1807 1.9724 1.9729 1.9731 1.9744 2.0087 2.0087 2.5751 2.5751 2.6154 2.6159 2.6160 2.6163 3.2866 3.2901 3.2906 3.2942 3.2962 3.2967 3.3865 3.3923 3.3929 3.3988 3.8523 3.8523 3.9609 3.9660 3.9693 3.9734 4.0961 4.0985 4.1006 4.1044 4.1737 4.1737 4.7305 4.7305 4.8255 4.8301 4.8323 4.8336 4.9535 4.9535 5.7091 5.7094 5.7107 5.7116 5.7914 5.7914 7.4879 7.4881 7.4881 7.4884 8.1212 8.1212 8.1532 8.1533 8.1558 8.1561 9.0085 9.0085 11.3693 11.3699 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8654 -31.8654 -31.8654 -31.8654 -7.5344 -7.5344 -6.3242 -6.3242 -6.3191 -6.3191 -6.3191 -6.3191 0.4182 0.4182 0.4182 0.4182 1.1799 1.1799 1.9734 1.9734 1.9734 1.9734 2.0088 2.0088 2.5757 2.5757 2.6165 2.6165 2.6165 2.6165 3.2950 3.2950 3.2950 3.2950 3.2976 3.2976 3.3877 3.3877 3.3877 3.3877 3.8524 3.8524 3.9675 3.9675 3.9675 3.9675 4.0997 4.0997 4.0997 4.0997 4.1738 4.1738 4.7306 4.7306 4.8307 4.8307 4.8307 4.8307 4.9537 4.9537 5.7107 5.7107 5.7107 5.7107 5.7920 5.7920 7.4878 7.4878 7.4878 7.4878 8.1222 8.1222 8.1556 8.1556 8.1556 8.1556 9.0015 9.0015 11.3691 11.3697 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8654 -31.8654 -31.8654 -31.8654 -7.5344 -7.5344 -6.3242 -6.3242 -6.3191 -6.3191 -6.3191 -6.3191 0.4182 0.4182 0.4182 0.4182 1.1799 1.1799 1.9734 1.9734 1.9734 1.9734 2.0088 2.0088 2.5757 2.5757 2.6165 2.6165 2.6165 2.6165 3.2950 3.2950 3.2950 3.2950 3.2976 3.2976 3.3877 3.3877 3.3877 3.3877 3.8524 3.8524 3.9675 3.9675 3.9675 3.9675 4.0997 4.0997 4.0997 4.0997 4.1738 4.1738 4.7306 4.7306 4.8307 4.8307 4.8307 4.8307 4.9537 4.9537 5.7107 5.7107 5.7107 5.7107 5.7920 5.7920 7.4878 7.4878 7.4878 7.4878 8.1222 8.1222 8.1556 8.1556 8.1556 8.1556 9.0015 9.0015 11.3692 11.3698 k = 0.0098 0.0098 0.0098 ( 6019 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8654 -31.8654 -31.8654 -31.8654 -7.5338 -7.5338 -6.3245 -6.3245 -6.3196 -6.3194 -6.3194 -6.3193 0.4190 0.4191 0.4191 0.4192 1.1807 1.1807 1.9726 1.9729 1.9729 1.9745 2.0087 2.0087 2.5751 2.5751 2.6155 2.6160 2.6160 2.6161 3.2875 3.2909 3.2909 3.2928 3.2958 3.2958 3.3876 3.3925 3.3925 3.3982 3.8523 3.8523 3.9606 3.9677 3.9677 3.9736 4.0961 4.0995 4.0995 4.1046 4.1736 4.1736 4.7305 4.7305 4.8252 4.8314 4.8314 4.8336 4.9535 4.9535 5.7092 5.7092 5.7107 5.7117 5.7914 5.7914 7.4879 7.4881 7.4881 7.4883 8.1212 8.1212 8.1531 8.1531 8.1559 8.1561 9.0086 9.0086 11.3701 11.3708 k = 0.0196 0.0196 0.0196 ( 5983 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8655 -31.8655 -7.5319 -7.5319 -6.3253 -6.3253 -6.3206 -6.3201 -6.3201 -6.3201 0.4215 0.4218 0.4218 0.4221 1.1832 1.1832 1.9712 1.9712 1.9722 1.9759 2.0082 2.0082 2.5734 2.5734 2.6130 2.6141 2.6144 2.6144 3.2740 3.2793 3.2793 3.2814 3.2920 3.2920 3.3974 3.4048 3.4048 3.4151 3.8521 3.8521 3.9530 3.9681 3.9681 3.9787 4.0940 4.0988 4.0988 4.1107 4.1733 4.1733 4.7300 4.7300 4.8170 4.8336 4.8336 4.8338 4.9531 4.9531 5.7043 5.7043 5.7118 5.7137 5.7900 5.7900 7.4887 7.4891 7.4891 7.4895 8.1166 8.1166 8.1475 8.1475 8.1568 8.1573 9.0296 9.0296 11.3724 11.3734 k = 0.0294 0.0294 0.0294 ( 5971 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8655 -31.8655 -7.5287 -7.5287 -6.3267 -6.3267 -6.3222 -6.3215 -6.3213 -6.3213 0.4259 0.4262 0.4262 0.4267 1.1873 1.1873 1.9682 1.9682 1.9721 1.9776 2.0076 2.0076 2.5704 2.5704 2.6090 2.6106 2.6118 2.6118 3.2579 3.2636 3.2636 3.2647 3.2861 3.2861 3.4129 3.4210 3.4210 3.4351 3.8517 3.8517 3.9449 3.9688 3.9688 3.9825 4.0936 4.0977 4.0977 4.1177 4.1725 4.1725 4.7286 4.7286 4.8065 4.8315 4.8377 4.8377 4.9524 4.9524 5.6956 5.6956 5.7138 5.7167 5.7884 5.7884 7.4901 7.4907 7.4907 7.4913 8.1049 8.1049 8.1435 8.1435 8.1584 8.1592 9.0630 9.0630 11.3758 11.3772 k = 0.0392 0.0392 0.0392 ( 5953 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8655 -31.8655 -7.5242 -7.5242 -6.3286 -6.3286 -6.3245 -6.3234 -6.3230 -6.3230 0.4319 0.4324 0.4324 0.4330 1.1929 1.1929 1.9637 1.9637 1.9724 1.9797 2.0072 2.0072 2.5661 2.5661 2.6035 2.6056 2.6082 2.6082 3.2406 3.2455 3.2460 3.2460 3.2777 3.2777 3.4314 3.4391 3.4391 3.4565 3.8511 3.8511 3.9363 3.9697 3.9697 3.9850 4.0950 4.0962 4.0962 4.1255 4.1715 4.1715 4.7259 4.7259 4.7937 4.8268 4.8441 4.8441 4.9517 4.9517 5.6822 5.6822 5.7165 5.7204 5.7874 5.7874 7.4921 7.4930 7.4930 7.4937 8.0859 8.0859 8.1429 8.1429 8.1607 8.1617 9.1071 9.1071 11.3809 11.3813 k = 0.0490 0.0490 0.0490 ( 5941 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8655 -31.8655 -7.5185 -7.5185 -6.3312 -6.3312 -6.3273 -6.3260 -6.3251 -6.3251 0.4397 0.4403 0.4403 0.4411 1.2001 1.2001 1.9573 1.9573 1.9730 1.9821 2.0072 2.0072 2.5606 2.5606 2.5964 2.5991 2.6037 2.6037 3.2230 3.2254 3.2276 3.2276 3.2671 3.2671 3.4516 3.4582 3.4582 3.4788 3.8503 3.8503 3.9272 3.9707 3.9707 3.9861 4.0943 4.0943 4.0983 4.1341 4.1705 4.1705 4.7216 4.7216 4.7791 4.8200 4.8531 4.8531 4.9512 4.9512 5.6638 5.6638 5.7197 5.7249 5.7873 5.7873 7.4948 7.4959 7.4959 7.4967 8.0622 8.0622 8.1446 8.1446 8.1636 8.1648 9.1600 9.1600 11.3877 11.3882 k = 0.0588 0.0588 0.0588 ( 5938 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8655 -31.8655 -7.5116 -7.5116 -6.3343 -6.3343 -6.3307 -6.3292 -6.3277 -6.3277 0.4491 0.4498 0.4498 0.4508 1.2087 1.2087 1.9489 1.9489 1.9739 1.9847 2.0078 2.0078 2.5539 2.5539 2.5879 2.5910 2.5982 2.5982 3.2050 3.2053 3.2090 3.2090 3.2541 3.2541 3.4726 3.4778 3.4778 3.5013 3.8494 3.8494 3.9178 3.9718 3.9718 3.9859 4.0921 4.0921 4.1032 4.1432 4.1695 4.1695 4.7154 4.7154 4.7630 4.8115 4.8644 4.8644 4.9512 4.9512 5.6406 5.6406 5.7233 5.7297 5.7882 5.7882 7.4981 7.4994 7.4994 7.5003 8.0361 8.0361 8.1476 8.1476 8.1670 8.1683 9.2198 9.2198 11.3964 11.3966 k = 0.0686 0.0686 0.0686 ( 5938 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8655 -31.8655 -7.5034 -7.5034 -6.3380 -6.3380 -6.3347 -6.3329 -6.3306 -6.3306 0.4601 0.4608 0.4608 0.4621 1.2188 1.2188 1.9386 1.9386 1.9751 1.9877 2.0089 2.0089 2.5458 2.5458 2.5780 2.5815 2.5919 2.5919 3.1846 3.1878 3.1903 3.1903 3.2389 3.2389 3.4943 3.4975 3.4975 3.5240 3.8481 3.8481 3.9081 3.9728 3.9728 3.9847 4.0896 4.0896 4.1097 4.1529 4.1688 4.1688 4.7076 4.7076 4.7457 4.8016 4.8774 4.8774 4.9527 4.9527 5.6129 5.6129 5.7270 5.7348 5.7899 5.7899 7.5020 7.5035 7.5035 7.5046 8.0093 8.0093 8.1515 8.1515 8.1709 8.1724 9.2849 9.2849 11.4072 11.4073 k = 0.0784 0.0784 0.0784 ( 5926 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8655 -31.8655 -7.4940 -7.4940 -6.3423 -6.3423 -6.3392 -6.3371 -6.3339 -6.3339 0.4726 0.4734 0.4734 0.4749 1.2303 1.2303 1.9265 1.9265 1.9766 1.9909 2.0105 2.0105 2.5364 2.5364 2.5667 2.5705 2.5849 2.5849 3.1645 3.1706 3.1717 3.1717 3.2214 3.2214 3.5163 3.5172 3.5172 3.5466 3.8467 3.8467 3.8981 3.9737 3.9737 3.9825 4.0870 4.0870 4.1175 4.1631 4.1686 4.1686 4.6986 4.6986 4.7278 4.7908 4.8904 4.8904 4.9571 4.9571 5.5812 5.5812 5.7308 5.7400 5.7921 5.7921 7.5066 7.5083 7.5083 7.5095 7.9828 7.9828 8.1560 8.1560 8.1751 8.1767 9.3539 9.3539 11.4203 11.4203 k = 0.0882 0.0882 0.0882 ( 5932 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8655 -31.8655 -7.4835 -7.4835 -6.3471 -6.3471 -6.3442 -6.3419 -6.3376 -6.3376 0.4866 0.4874 0.4874 0.4891 1.2431 1.2431 1.9125 1.9125 1.9785 1.9945 2.0126 2.0126 2.5256 2.5256 2.5540 2.5580 2.5773 2.5773 3.1448 3.1535 3.1535 3.1538 3.2017 3.2017 3.5366 3.5366 3.5387 3.5690 3.8451 3.8451 3.8878 3.9742 3.9742 3.9797 4.0843 4.0843 4.1262 4.1689 4.1689 4.1737 4.6886 4.6886 4.7096 4.7793 4.9009 4.9009 4.9664 4.9664 5.5461 5.5461 5.7343 5.7450 5.7945 5.7945 7.5119 7.5137 7.5137 7.5149 7.9573 7.9573 8.1610 8.1610 8.1798 8.1814 9.4257 9.4257 11.4359 11.4360 k = 0.0980 0.0980 0.0980 ( 5932 PWs) bands (ev): -58.2584 -58.2584 -32.6901 -32.6901 -31.8655 -31.8655 -31.8655 -31.8655 -7.4717 -7.4717 -6.3524 -6.3524 -6.3497 -6.3472 -6.3416 -6.3416 0.5018 0.5027 0.5027 0.5047 1.2571 1.2571 1.8968 1.8968 1.9806 1.9982 2.0151 2.0151 2.5136 2.5136 2.5400 2.5442 2.5690 2.5690 3.1257 3.1357 3.1357 3.1373 3.1800 3.1800 3.5558 3.5558 3.5612 3.5911 3.8433 3.8433 3.8774 3.9743 3.9743 3.9765 4.0816 4.0816 4.1358 4.1700 4.1700 4.1845 4.6781 4.6781 4.6916 4.7677 4.9072 4.9072 4.9825 4.9825 5.5079 5.5079 5.7375 5.7497 5.7969 5.7969 7.5178 7.5197 7.5197 7.5211 7.9334 7.9334 8.1664 8.1664 8.1846 8.1863 9.4990 9.4990 11.4541 11.4541 k = 0.1078 0.1078 0.1078 ( 5938 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8655 -31.8655 -31.8655 -31.8655 -7.4589 -7.4589 -6.3582 -6.3582 -6.3556 -6.3529 -6.3459 -6.3459 0.5183 0.5192 0.5192 0.5214 1.2723 1.2723 1.8794 1.8794 1.9830 2.0022 2.0179 2.0179 2.5004 2.5004 2.5249 2.5291 2.5603 2.5603 3.1071 3.1183 3.1183 3.1213 3.1563 3.1563 3.5745 3.5745 3.5837 3.6127 3.8414 3.8414 3.8670 3.9731 3.9738 3.9738 4.0791 4.0791 4.1459 4.1719 4.1719 4.1956 4.6675 4.6675 4.6741 4.7561 4.9095 4.9095 5.0046 5.0046 5.4671 5.4671 5.7403 5.7539 5.7992 5.7992 7.5243 7.5263 7.5263 7.5278 7.9116 7.9116 8.1721 8.1721 8.1897 8.1914 9.5730 9.5730 11.4713 11.4727 k = 0.1176 0.1176 0.1176 ( 5944 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8656 -31.8656 -31.8656 -31.8656 -7.4449 -7.4449 -6.3644 -6.3644 -6.3620 -6.3591 -6.3505 -6.3505 0.5358 0.5368 0.5368 0.5393 1.2884 1.2884 1.8605 1.8605 1.9857 2.0064 2.0210 2.0210 2.4860 2.4860 2.5087 2.5129 2.5511 2.5511 3.0891 3.1014 3.1014 3.1058 3.1309 3.1309 3.5926 3.5926 3.6063 3.6338 3.8393 3.8393 3.8564 3.9696 3.9727 3.9727 4.0767 4.0767 4.1563 4.1748 4.1748 4.2068 4.6572 4.6572 4.6574 4.7450 4.9092 4.9092 5.0311 5.0311 5.4242 5.4242 5.7426 5.7577 5.8011 5.8011 7.5314 7.5335 7.5335 7.5350 7.8920 7.8920 8.1780 8.1780 8.1950 8.1966 9.6467 9.6467 11.4882 11.4901 k = 0.1275 0.1275 0.1275 ( 5938 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8656 -31.8656 -31.8656 -31.8656 -7.4299 -7.4299 -6.3710 -6.3710 -6.3687 -6.3657 -6.3555 -6.3555 0.5544 0.5553 0.5553 0.5581 1.3054 1.3054 1.8401 1.8401 1.9886 2.0107 2.0244 2.0244 2.4706 2.4706 2.4916 2.4956 2.5415 2.5415 3.0718 3.0848 3.0848 3.0907 3.1040 3.1040 3.6101 3.6101 3.6288 3.6541 3.8371 3.8371 3.8459 3.9663 3.9711 3.9711 4.0746 4.0746 4.1669 4.1788 4.1788 4.2180 4.6421 4.6476 4.6476 4.7348 4.9072 4.9072 5.0609 5.0609 5.3796 5.3796 5.7443 5.7608 5.8027 5.8027 7.5392 7.5412 7.5412 7.5429 7.8749 7.8749 8.1842 8.1842 8.2004 8.2019 9.7192 9.7192 11.5066 11.5085 k = 0.1373 0.1373 0.1373 ( 5944 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8656 -31.8656 -31.8656 -31.8656 -7.4139 -7.4139 -6.3780 -6.3780 -6.3758 -6.3726 -6.3607 -6.3607 0.5737 0.5747 0.5747 0.5778 1.3231 1.3231 1.8184 1.8184 1.9917 2.0152 2.0280 2.0280 2.4543 2.4543 2.4737 2.4774 2.5316 2.5316 3.0551 3.0673 3.0673 3.0761 3.0771 3.0771 3.6267 3.6267 3.6510 3.6736 3.8348 3.8348 3.8356 3.9632 3.9690 3.9690 4.0727 4.0727 4.1775 4.1838 4.1838 4.2292 4.6283 4.6387 4.6387 4.7254 4.9041 4.9041 5.0931 5.0931 5.3337 5.3337 5.7456 5.7634 5.8039 5.8039 7.5475 7.5495 7.5495 7.5513 7.8604 7.8604 8.1905 8.1905 8.2060 8.2073 9.7899 9.7899 11.5253 11.5265 k = 0.1471 0.1471 0.1471 ( 5941 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8656 -31.8656 -31.8656 -31.8656 -7.3969 -7.3969 -6.3854 -6.3854 -6.3833 -6.3799 -6.3662 -6.3662 0.5936 0.5947 0.5947 0.5981 1.3412 1.3412 1.7955 1.7955 1.9950 2.0199 2.0318 2.0318 2.4373 2.4373 2.4552 2.4585 2.5214 2.5214 3.0390 3.0424 3.0424 3.0568 3.0568 3.0619 3.6424 3.6424 3.6730 3.6921 3.8255 3.8326 3.8326 3.9606 3.9666 3.9666 4.0710 4.0710 4.1879 4.1898 4.1898 4.2403 4.6163 4.6308 4.6308 4.7173 4.9001 4.9001 5.1273 5.1273 5.2869 5.2869 5.7464 5.7654 5.8048 5.8048 7.5563 7.5582 7.5582 7.5601 7.8486 7.8486 8.1970 8.1970 8.2116 8.2128 9.8579 9.8579 11.5446 11.5454 k = 0.1569 0.1569 0.1569 ( 5935 PWs) bands (ev): -58.2584 -58.2584 -32.6902 -32.6902 -31.8656 -31.8656 -31.8656 -31.8656 -7.3789 -7.3789 -6.3930 -6.3930 -6.3910 -6.3875 -6.3719 -6.3719 0.6141 0.6151 0.6151 0.6189 1.3595 1.3595 1.7716 1.7716 1.9985 2.0246 2.0358 2.0358 2.4198 2.4198 2.4363 2.4391 2.5110 2.5110 3.0121 3.0121 3.0236 3.0414 3.0414 3.0480 3.6570 3.6570 3.6944 3.7095 3.8158 3.8303 3.8303 3.9586 3.9641 3.9641 4.0694 4.0694 4.1968 4.1968 4.1979 4.2510 4.6064 4.6241 4.6241 4.7106 4.8953 4.8953 5.1629 5.1629 5.2399 5.2399 5.7468 5.7669 5.8053 5.8053 7.5657 7.5674 7.5674 7.5695 7.8396 7.8396 8.2036 8.2036 8.2174 8.2183 9.9229 9.9229 11.5642 11.5649 k = 0.1667 0.1667 0.1667 ( 5953 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8657 -31.8657 -31.8657 -31.8657 -7.3601 -7.3601 -6.4010 -6.4010 -6.3990 -6.3954 -6.3779 -6.3779 0.6348 0.6358 0.6358 0.6400 1.3777 1.3777 1.7469 1.7469 2.0021 2.0293 2.0398 2.0398 2.4020 2.4020 2.4173 2.4195 2.5004 2.5004 2.9804 2.9804 3.0088 3.0272 3.0272 3.0346 3.6703 3.6703 3.7152 3.7255 3.8066 3.8281 3.8281 3.9573 3.9615 3.9615 4.0678 4.0678 4.2045 4.2045 4.2072 4.2614 4.5987 4.6186 4.6186 4.7053 4.8896 4.8896 5.1859 5.1859 5.2067 5.2067 5.7469 5.7679 5.8055 5.8055 7.5755 7.5770 7.5770 7.5792 7.8334 7.8334 8.2105 8.2105 8.2234 8.2239 9.9842 9.9842 11.5842 11.5852 k = 0.1765 0.1765 0.1765 ( 5941 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8657 -31.8657 -31.8657 -31.8657 -7.3404 -7.3404 -6.4091 -6.4091 -6.4072 -6.4035 -6.3840 -6.3840 0.6556 0.6567 0.6567 0.6613 1.3953 1.3953 1.7219 1.7219 2.0059 2.0340 2.0438 2.0438 2.3842 2.3842 2.3982 2.3998 2.4897 2.4897 2.9480 2.9480 2.9946 3.0137 3.0137 3.0215 3.6823 3.6823 3.7348 3.7402 3.7986 3.8262 3.8262 3.9570 3.9592 3.9592 4.0664 4.0664 4.2130 4.2130 4.2159 4.2713 4.5933 4.6144 4.6144 4.7016 4.8830 4.8830 5.1423 5.1423 5.2415 5.2415 5.7469 5.7687 5.8057 5.8057 7.5857 7.5869 7.5869 7.5893 7.8301 7.8301 8.2175 8.2175 8.2295 8.2297 10.0415 10.0415 11.6036 11.6042 k = 0.1863 0.1863 0.1863 ( 5947 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8657 -31.8657 -31.8657 -31.8657 -7.3199 -7.3199 -6.4175 -6.4175 -6.4156 -6.4118 -6.3903 -6.3903 0.6764 0.6774 0.6774 0.6824 1.4116 1.4116 1.6970 1.6970 2.0097 2.0387 2.0479 2.0479 2.3666 2.3666 2.3795 2.3804 2.4788 2.4788 2.9153 2.9153 2.9809 3.0008 3.0008 3.0087 3.6928 3.6928 3.7519 3.7533 3.7931 3.8246 3.8246 3.9572 3.9572 3.9577 4.0650 4.0650 4.2219 4.2219 4.2236 4.2807 4.5903 4.6114 4.6114 4.6995 4.8755 4.8755 5.0954 5.0954 5.2812 5.2812 5.7469 5.7693 5.8059 5.8059 7.5962 7.5971 7.5971 7.5996 7.8296 7.8296 8.2248 8.2248 8.2357 8.2359 10.0946 10.0946 11.6230 11.6239 k = 0.1961 0.1961 0.1961 ( 5932 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8657 -31.8657 -31.8657 -31.8657 -7.2987 -7.2987 -6.4260 -6.4260 -6.4242 -6.4203 -6.3968 -6.3968 0.6968 0.6978 0.6978 0.7033 1.4258 1.4258 1.6732 1.6732 2.0136 2.0432 2.0518 2.0518 2.3496 2.3496 2.3613 2.3616 2.4680 2.4680 2.8826 2.8826 2.9677 2.9884 2.9884 2.9962 3.7017 3.7017 3.7619 3.7649 3.7946 3.8235 3.8235 3.9556 3.9556 3.9595 4.0637 4.0637 4.2304 4.2313 4.2313 4.2895 4.5896 4.6096 4.6096 4.6990 4.8669 4.8669 5.0490 5.0490 5.3223 5.3223 5.7472 5.7700 5.8063 5.8063 7.6070 7.6076 7.6076 7.6102 7.8318 7.8318 8.2324 8.2324 8.2419 8.2425 10.1432 10.1432 11.6411 11.6424 k = 0.2059 0.2059 0.2059 ( 5935 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8657 -31.8657 -31.8657 -31.8657 -7.2768 -7.2768 -6.4347 -6.4347 -6.4329 -6.4289 -6.4034 -6.4034 0.7168 0.7178 0.7178 0.7237 1.4363 1.4363 1.6517 1.6517 2.0174 2.0476 2.0557 2.0557 2.3334 2.3334 2.3436 2.3440 2.4571 2.4571 2.8503 2.8503 2.9550 2.9765 2.9765 2.9839 3.7088 3.7088 3.7619 3.7749 3.8062 3.8230 3.8230 3.9544 3.9544 3.9624 4.0624 4.0624 4.2361 4.2407 4.2407 4.2975 4.5911 4.6088 4.6088 4.6999 4.8570 4.8570 5.0039 5.0039 5.3644 5.3644 5.7479 5.7709 5.8071 5.8071 7.6180 7.6182 7.6182 7.6209 7.8368 7.8368 8.2403 8.2403 8.2483 8.2495 10.1875 10.1875 11.6582 11.6598 k = 0.2157 0.2157 0.2157 ( 5926 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8658 -31.8658 -31.8658 -31.8658 -7.2544 -7.2544 -6.4434 -6.4434 -6.4416 -6.4376 -6.4101 -6.4101 0.7361 0.7370 0.7370 0.7434 1.4412 1.4412 1.6342 1.6342 2.0212 2.0517 2.0593 2.0593 2.3183 2.3183 2.3268 2.3277 2.4462 2.4462 2.8187 2.8187 2.9427 2.9650 2.9650 2.9720 3.7143 3.7143 3.7576 3.7837 3.8220 3.8232 3.8232 3.9538 3.9538 3.9664 4.0613 4.0613 4.2408 4.2502 4.2502 4.3048 4.5946 4.6088 4.6088 4.7022 4.8453 4.8453 4.9609 4.9609 5.4071 5.4071 5.7493 5.7723 5.8086 5.8086 7.6289 7.6289 7.6291 7.6317 7.8445 7.8445 8.2486 8.2486 8.2551 8.2569 10.2274 10.2274 11.6738 11.6752 k = 0.2255 0.2255 0.2255 ( 5938 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8658 -31.8658 -31.8658 -31.8658 -7.2313 -7.2313 -6.4522 -6.4522 -6.4504 -6.4464 -6.4169 -6.4169 0.7544 0.7553 0.7553 0.7622 1.4386 1.4386 1.6226 1.6226 2.0249 2.0556 2.0627 2.0627 2.3045 2.3045 2.3113 2.3128 2.4354 2.4354 2.7882 2.7882 2.9309 2.9538 2.9538 2.9602 3.7182 3.7182 3.7526 3.7911 3.8242 3.8242 3.8384 3.9535 3.9535 3.9712 4.0601 4.0601 4.2445 4.2595 4.2595 4.3114 4.5996 4.6090 4.6090 4.7055 4.8312 4.8312 4.9211 4.9211 5.4505 5.4505 5.7516 5.7745 5.8110 5.8110 7.6396 7.6396 7.6402 7.6425 7.8547 7.8547 8.2573 8.2573 8.2624 8.2647 10.2632 10.2632 11.6867 11.6881 k = 0.2353 0.2353 0.2353 ( 5935 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8658 -31.8658 -31.8658 -31.8658 -7.2078 -7.2078 -6.4610 -6.4610 -6.4592 -6.4551 -6.4238 -6.4238 0.7717 0.7725 0.7725 0.7798 1.4273 1.4273 1.6179 1.6179 2.0286 2.0592 2.0659 2.0659 2.2923 2.2923 2.2975 2.2993 2.4247 2.4247 2.7592 2.7592 2.9194 2.9431 2.9431 2.9487 3.7207 3.7207 3.7479 3.7977 3.8259 3.8259 3.8546 3.9535 3.9535 3.9767 4.0590 4.0590 4.2474 4.2684 4.2684 4.3172 4.6059 4.6091 4.6091 4.7097 4.8134 4.8134 4.8863 4.8863 5.4944 5.4944 5.7553 5.7778 5.8145 5.8145 7.6503 7.6503 7.6513 7.6532 7.8675 7.8675 8.2665 8.2665 8.2700 8.2730 10.2951 10.2951 11.6966 11.6972 k = 0.2451 0.2451 0.2451 ( 5941 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8658 -31.8658 -31.8658 -31.8658 -7.1839 -7.1839 -6.4698 -6.4698 -6.4680 -6.4639 -6.4308 -6.4308 0.7876 0.7883 0.7883 0.7962 1.4084 1.4084 1.6189 1.6189 2.0322 2.0625 2.0689 2.0689 2.2819 2.2819 2.2855 2.2876 2.4142 2.4142 2.7320 2.7320 2.9083 2.9327 2.9327 2.9374 3.7221 3.7221 3.7438 3.8035 3.8282 3.8282 3.8702 3.9538 3.9538 3.9825 4.0580 4.0580 4.2496 4.2770 4.2770 4.3224 4.6081 4.6081 4.6129 4.7144 4.7912 4.7912 4.8581 4.8581 5.5385 5.5385 5.7604 5.7823 5.8194 5.8194 7.6610 7.6610 7.6623 7.6638 7.8826 7.8826 8.2761 8.2761 8.2782 8.2818 10.3232 10.3232 11.7021 11.7031 k = 0.2549 0.2549 0.2549 ( 5935 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8659 -31.8659 -31.8659 -31.8659 -7.1597 -7.1597 -6.4786 -6.4786 -6.4767 -6.4727 -6.4378 -6.4378 0.8021 0.8027 0.8027 0.8110 1.3837 1.3837 1.6235 1.6235 2.0359 2.0657 2.0717 2.0717 2.2734 2.2734 2.2754 2.2776 2.4038 2.4038 2.7071 2.7071 2.8976 2.9227 2.9227 2.9264 3.7226 3.7226 3.7405 3.8089 3.8310 3.8310 3.8851 3.9544 3.9544 3.9887 4.0571 4.0571 4.2512 4.2851 4.2851 4.3268 4.6048 4.6048 4.6203 4.7193 4.7660 4.7660 4.8361 4.8361 5.5829 5.5829 5.7673 5.7885 5.8260 5.8260 7.6715 7.6715 7.6731 7.6742 7.9000 7.9000 8.2862 8.2862 8.2869 8.2911 10.3480 10.3480 11.7025 11.7030 k = 0.2647 0.2647 0.2647 ( 5929 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8659 -31.8659 -31.8659 -31.8659 -7.1352 -7.1352 -6.4873 -6.4873 -6.4854 -6.4813 -6.4448 -6.4448 0.8150 0.8155 0.8155 0.8242 1.3551 1.3551 1.6297 1.6297 2.0396 2.0687 2.0744 2.0744 2.2668 2.2668 2.2673 2.2696 2.3937 2.3937 2.6848 2.6848 2.8872 2.9129 2.9129 2.9155 3.7224 3.7224 3.7381 3.8141 3.8341 3.8341 3.8991 3.9550 3.9550 3.9947 4.0563 4.0563 4.2525 4.2927 4.2927 4.3307 4.5975 4.5975 4.6275 4.7240 4.7417 4.7417 4.8178 4.8178 5.6272 5.6272 5.7763 5.7965 5.8346 5.8346 7.6819 7.6819 7.6837 7.6844 7.9195 7.9195 8.2961 8.2967 8.2967 8.3010 10.3696 10.3696 11.6965 11.6968 k = 0.2745 0.2745 0.2745 ( 5923 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8659 -31.8659 -31.8659 -31.8659 -7.1105 -7.1105 -6.4958 -6.4958 -6.4939 -6.4899 -6.4519 -6.4519 0.8262 0.8265 0.8265 0.8357 1.3242 1.3242 1.6358 1.6358 2.0434 2.0717 2.0772 2.0772 2.2611 2.2620 2.2620 2.2634 2.3839 2.3839 2.6654 2.6654 2.8772 2.9035 2.9035 2.9050 3.7219 3.7219 3.7366 3.8192 3.8375 3.8375 3.9124 3.9557 3.9557 4.0007 4.0555 4.0555 4.2534 4.2997 4.2997 4.3340 4.5848 4.5848 4.6342 4.7219 4.7219 4.7281 4.8013 4.8013 5.6714 5.6714 5.7876 5.8067 5.8454 5.8454 7.6920 7.6920 7.6940 7.6944 7.9411 7.9411 8.3058 8.3077 8.3077 8.3114 10.3884 10.3884 11.6830 11.6844 k = 0.2843 0.2843 0.2843 ( 5929 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8659 -31.8659 -31.8659 -31.8659 -7.0857 -7.0857 -6.5042 -6.5042 -6.5022 -6.4983 -6.4589 -6.4589 0.8356 0.8358 0.8358 0.8453 1.2918 1.2918 1.6409 1.6409 2.0475 2.0750 2.0803 2.0803 2.2567 2.2589 2.2589 2.2589 2.3743 2.3743 2.6492 2.6492 2.8676 2.8944 2.8944 2.8946 3.7212 3.7212 3.7360 3.8245 3.8410 3.8410 3.9248 3.9563 3.9563 4.0062 4.0546 4.0546 4.2541 4.3062 4.3062 4.3369 4.5664 4.5664 4.6399 4.7077 4.7077 4.7312 4.7855 4.7855 5.7152 5.7152 5.8013 5.8192 5.8586 5.8586 7.7019 7.7019 7.7040 7.7041 7.9645 7.9645 8.3160 8.3192 8.3192 8.3222 10.4047 10.4047 11.6612 11.6618 k = 0.2941 0.2941 0.2941 ( 5932 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8660 -31.8660 -31.8660 -31.8660 -7.0609 -7.0609 -6.5125 -6.5125 -6.5104 -6.5065 -6.4660 -6.4660 0.8432 0.8432 0.8432 0.8530 1.2585 1.2585 1.6444 1.6444 2.0520 2.0787 2.0838 2.0838 2.2539 2.2562 2.2573 2.2573 2.3652 2.3652 2.6365 2.6365 2.8583 2.8846 2.8856 2.8856 3.7204 3.7204 3.7364 3.8301 3.8446 3.8446 3.9364 3.9567 3.9567 4.0114 4.0538 4.0538 4.2548 4.3121 4.3121 4.3393 4.5436 4.5436 4.6444 4.6981 4.6981 4.7332 4.7700 4.7700 5.7585 5.7585 5.8176 5.8342 5.8745 5.8745 7.7115 7.7115 7.7134 7.7139 7.9895 7.9895 8.3267 8.3309 8.3309 8.3335 10.4186 10.4186 11.6300 11.6303 k = 0.3039 0.3039 0.3039 ( 5932 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8660 -31.8660 -31.8660 -31.8660 -7.0361 -7.0361 -6.5205 -6.5205 -6.5184 -6.5146 -6.4731 -6.4731 0.8488 0.8488 0.8490 0.8589 1.2248 1.2248 1.6457 1.6457 2.0570 2.0830 2.0880 2.0880 2.2525 2.2549 2.2569 2.2569 2.3564 2.3564 2.6272 2.6272 2.8494 2.8748 2.8772 2.8772 3.7196 3.7196 3.7377 3.8359 3.8484 3.8484 3.9472 3.9570 3.9570 4.0160 4.0529 4.0529 4.2555 4.3175 4.3175 4.3413 4.5184 4.5184 4.6474 4.6911 4.6911 4.7336 4.7546 4.7546 5.8008 5.8008 5.8365 5.8518 5.8933 5.8933 7.7209 7.7209 7.7226 7.7233 8.0160 8.0160 8.3378 8.3430 8.3430 8.3451 10.4305 10.4305 11.5893 11.5901 k = 0.3137 0.3137 0.3137 ( 5926 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8660 -31.8660 -31.8660 -31.8660 -7.0115 -7.0115 -6.5283 -6.5283 -6.5261 -6.5224 -6.4801 -6.4801 0.8526 0.8526 0.8530 0.8629 1.1910 1.1910 1.6449 1.6449 2.0626 2.0880 2.0928 2.0928 2.2522 2.2550 2.2576 2.2576 2.3481 2.3481 2.6215 2.6215 2.8409 2.8653 2.8690 2.8690 3.7189 3.7189 3.7401 3.8422 3.8521 3.8521 3.9570 3.9570 3.9573 4.0201 4.0519 4.0519 4.2563 4.3224 4.3224 4.3431 4.4929 4.4929 4.6487 4.6850 4.6850 4.7324 4.7393 4.7393 5.8419 5.8419 5.8580 5.8720 5.9152 5.9152 7.7301 7.7301 7.7315 7.7325 8.0439 8.0439 8.3491 8.3552 8.3552 8.3569 10.4407 10.4407 11.5400 11.5416 k = 0.3235 0.3235 0.3235 ( 5926 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8660 -31.8660 -31.8660 -31.8660 -6.9872 -6.9872 -6.5359 -6.5359 -6.5336 -6.5300 -6.4871 -6.4871 0.8547 0.8547 0.8554 0.8652 1.1575 1.1575 1.6417 1.6417 2.0689 2.0939 2.0986 2.0986 2.2528 2.2561 2.2590 2.2590 2.3402 2.3402 2.6193 2.6193 2.8328 2.8562 2.8612 2.8612 3.7184 3.7184 3.7434 3.8489 3.8559 3.8559 3.9567 3.9567 3.9666 4.0236 4.0506 4.0506 4.2573 4.3268 4.3268 4.3446 4.4682 4.4682 4.6484 4.6783 4.6783 4.7245 4.7245 4.7294 5.8813 5.8813 5.8821 5.8947 5.9405 5.9405 7.7391 7.7391 7.7403 7.7415 8.0728 8.0728 8.3606 8.3675 8.3675 8.3689 10.4492 10.4492 11.4823 11.4839 k = 0.3333 0.3333 0.3333 ( 5926 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8661 -31.8661 -31.8661 -31.8661 -6.9631 -6.9631 -6.5432 -6.5432 -6.5408 -6.5374 -6.4942 -6.4942 0.8553 0.8553 0.8562 0.8658 1.1245 1.1245 1.6363 1.6363 2.0758 2.1007 2.1051 2.1051 2.2540 2.2581 2.2610 2.2610 2.3330 2.3330 2.6204 2.6204 2.8252 2.8474 2.8538 2.8538 3.7179 3.7179 3.7476 3.8559 3.8597 3.8597 3.9561 3.9561 3.9751 4.0263 4.0492 4.0492 4.2586 4.3306 4.3306 4.3459 4.4452 4.4452 4.6462 4.6700 4.6700 4.7105 4.7105 4.7246 5.9085 5.9186 5.9186 5.9198 5.9691 5.9691 7.7479 7.7479 7.7489 7.7503 8.1026 8.1026 8.3722 8.3797 8.3797 8.3808 10.4564 10.4564 11.4180 11.4196 k = 0.3431 0.3431 0.3431 ( 5938 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8661 -31.8661 -31.8661 -31.8661 -6.9394 -6.9394 -6.5501 -6.5501 -6.5477 -6.5444 -6.5012 -6.5012 0.8544 0.8544 0.8557 0.8650 1.0922 1.0922 1.6290 1.6290 2.0834 2.1083 2.1126 2.1126 2.2556 2.2608 2.2631 2.2631 2.3263 2.3263 2.6244 2.6244 2.8180 2.8390 2.8467 2.8467 3.7174 3.7174 3.7528 3.8633 3.8635 3.8635 3.9550 3.9550 3.9829 4.0284 4.0474 4.0474 4.2602 4.3339 4.3339 4.3471 4.4247 4.4247 4.6424 4.6595 4.6595 4.6975 4.6975 4.7178 5.9369 5.9471 5.9539 5.9539 6.0007 6.0007 7.7567 7.7567 7.7574 7.7589 8.1330 8.1330 8.3836 8.3916 8.3916 8.3925 10.4624 10.4624 11.3480 11.3489 k = 0.3529 0.3529 0.3529 ( 5926 PWs) bands (ev): -58.2584 -58.2584 -32.6907 -32.6907 -31.8661 -31.8661 -31.8661 -31.8661 -6.9162 -6.9162 -6.5568 -6.5568 -6.5543 -6.5511 -6.5082 -6.5082 0.8523 0.8523 0.8539 0.8630 1.0608 1.0608 1.6199 1.6199 2.0917 2.1168 2.1207 2.1207 2.2574 2.2640 2.2653 2.2653 2.3205 2.3205 2.6311 2.6311 2.8113 2.8310 2.8401 2.8401 3.7170 3.7170 3.7588 3.8674 3.8674 3.8710 3.9535 3.9535 3.9901 4.0298 4.0454 4.0454 4.2624 4.3363 4.3363 4.3483 4.4071 4.4071 4.6369 4.6466 4.6466 4.6855 4.6855 4.7093 5.9672 5.9761 5.9879 5.9879 6.0343 6.0343 7.7654 7.7654 7.7659 7.7675 8.1638 8.1638 8.3948 8.4032 8.4032 8.4039 10.4674 10.4674 11.2740 11.2740 k = 0.3627 0.3627 0.3627 ( 5920 PWs) bands (ev): -58.2584 -58.2584 -32.6907 -32.6907 -31.8661 -31.8661 -31.8661 -31.8661 -6.8935 -6.8935 -6.5631 -6.5631 -6.5605 -6.5575 -6.5152 -6.5152 0.8492 0.8492 0.8512 0.8598 1.0304 1.0304 1.6095 1.6095 2.1006 2.1261 2.1296 2.1296 2.2593 2.2671 2.2671 2.2674 2.3155 2.3155 2.6400 2.6400 2.8051 2.8234 2.8338 2.8338 3.7167 3.7167 3.7657 3.8713 3.8713 3.8790 3.9515 3.9515 3.9966 4.0306 4.0431 4.0431 4.2650 4.3376 4.3376 4.3494 4.3934 4.3934 4.6300 4.6319 4.6319 4.6740 4.6740 4.6991 5.9988 6.0066 6.0211 6.0211 6.0685 6.0685 7.7741 7.7741 7.7744 7.7761 8.1947 8.1947 8.4056 8.4143 8.4143 8.4148 10.4716 10.4716 11.1968 11.1975 k = 0.3725 0.3725 0.3725 ( 5926 PWs) bands (ev): -58.2584 -58.2584 -32.6907 -32.6907 -31.8661 -31.8661 -31.8661 -31.8661 -6.8714 -6.8714 -6.5691 -6.5691 -6.5664 -6.5635 -6.5223 -6.5223 0.8453 0.8453 0.8476 0.8558 1.0014 1.0014 1.5981 1.5981 2.1099 2.1360 2.1390 2.1390 2.2611 2.2683 2.2683 2.2709 2.3115 2.3115 2.6507 2.6507 2.7993 2.8163 2.8280 2.8280 3.7162 3.7162 3.7734 3.8751 3.8751 3.8870 3.9489 3.9489 4.0024 4.0306 4.0406 4.0406 4.2681 4.3372 4.3372 4.3505 4.3842 4.3842 4.6158 4.6158 4.6218 4.6626 4.6626 4.6874 6.0314 6.0382 6.0539 6.0539 6.1026 6.1026 7.7829 7.7829 7.7830 7.7846 8.2254 8.2254 8.4158 8.4246 8.4246 8.4250 10.4750 10.4750 11.1185 11.1198 k = 0.3824 0.3824 0.3824 ( 5929 PWs) bands (ev): -58.2584 -58.2584 -32.6907 -32.6907 -31.8662 -31.8662 -31.8662 -31.8662 -6.8500 -6.8500 -6.5747 -6.5747 -6.5719 -6.5692 -6.5293 -6.5293 0.8407 0.8407 0.8433 0.8511 0.9738 0.9738 1.5861 1.5861 2.1196 2.1463 2.1487 2.1487 2.2626 2.2688 2.2688 2.2743 2.3085 2.3085 2.6628 2.6628 2.7940 2.8096 2.8226 2.8226 3.7157 3.7157 3.7818 3.8789 3.8789 3.8950 3.9458 3.9458 4.0076 4.0300 4.0381 4.0381 4.2719 4.3351 4.3351 4.3517 4.3795 4.3795 4.5991 4.5991 4.6126 4.6508 4.6508 4.6743 6.0644 6.0703 6.0864 6.0864 6.1358 6.1358 7.7917 7.7918 7.7918 7.7933 8.2556 8.2556 8.4253 8.4341 8.4341 8.4343 10.4779 10.4779 11.0405 11.0424 k = 0.3922 0.3922 0.3922 ( 5926 PWs) bands (ev): -58.2583 -58.2583 -32.6907 -32.6907 -31.8662 -31.8662 -31.8662 -31.8662 -6.8294 -6.8294 -6.5799 -6.5799 -6.5770 -6.5745 -6.5365 -6.5365 0.8357 0.8357 0.8387 0.8459 0.9478 0.9478 1.5737 1.5737 2.1295 2.1570 2.1587 2.1587 2.2638 2.2685 2.2685 2.2774 2.3066 2.3066 2.6757 2.6757 2.7893 2.8035 2.8177 2.8177 3.7149 3.7149 3.7910 3.8827 3.8827 3.9029 3.9422 3.9422 4.0122 4.0289 4.0355 4.0355 4.2763 4.3321 4.3321 4.3529 4.3787 4.3787 4.5821 4.5821 4.6024 4.6385 4.6385 4.6601 6.0975 6.1025 6.1185 6.1185 6.1677 6.1677 7.8005 7.8007 7.8007 7.8020 8.2851 8.2851 8.4339 8.4427 8.4427 8.4428 10.4803 10.4803 10.9641 10.9665 k = 0.4020 0.4020 0.4020 ( 5938 PWs) bands (ev): -58.2584 -58.2584 -32.6907 -32.6907 -31.8662 -31.8662 -31.8662 -31.8662 -6.8095 -6.8095 -6.5847 -6.5847 -6.5817 -6.5794 -6.5436 -6.5436 0.8305 0.8305 0.8338 0.8405 0.9235 0.9235 1.5614 1.5614 2.1396 2.1678 2.1687 2.1687 2.2646 2.2675 2.2675 2.2801 2.3054 2.3054 2.6891 2.6891 2.7851 2.7978 2.8133 2.8133 3.7140 3.7140 3.8006 3.8863 3.8863 3.9103 3.9382 3.9382 4.0162 4.0273 4.0331 4.0331 4.2814 4.3294 4.3294 4.3542 4.3804 4.3804 4.5649 4.5649 4.5917 4.6257 4.6257 4.6450 6.1300 6.1343 6.1496 6.1496 6.1979 6.1979 7.8094 7.8097 7.8097 7.8108 8.3135 8.3135 8.4416 8.4501 8.4502 8.4502 10.4823 10.4823 10.8904 10.8932 k = 0.4118 0.4118 0.4118 ( 5950 PWs) bands (ev): -58.2584 -58.2584 -32.6908 -32.6908 -31.8662 -31.8662 -31.8662 -31.8662 -6.7906 -6.7906 -6.5891 -6.5891 -6.5859 -6.5839 -6.5509 -6.5509 0.8252 0.8252 0.8289 0.8350 0.9011 0.9011 1.5494 1.5494 2.1497 2.1785 2.1785 2.1786 2.2648 2.2661 2.2661 2.2824 2.3048 2.3048 2.7026 2.7026 2.7814 2.7927 2.8094 2.8094 3.7128 3.7128 3.8109 3.8899 3.8899 3.9171 3.9339 3.9339 4.0195 4.0254 4.0309 4.0309 4.2872 4.3278 4.3278 4.3556 4.3837 4.3837 4.5478 4.5478 4.5807 4.6125 4.6125 4.6293 6.1615 6.1651 6.1793 6.1793 6.2263 6.2263 7.8184 7.8187 7.8187 7.8196 8.3404 8.3404 8.4482 8.4563 8.4566 8.4566 10.4840 10.4840 10.8204 10.8234 k = 0.4216 0.4216 0.4216 ( 5944 PWs) bands (ev): -58.2584 -58.2584 -32.6908 -32.6908 -31.8662 -31.8662 -31.8662 -31.8662 -6.7725 -6.7725 -6.5931 -6.5931 -6.5898 -6.5879 -6.5582 -6.5582 0.8200 0.8200 0.8241 0.8296 0.8808 0.8808 1.5380 1.5380 2.1598 2.1880 2.1880 2.1893 2.2646 2.2646 2.2646 2.2840 2.3044 2.3044 2.7156 2.7156 2.7782 2.7881 2.8061 2.8061 3.7115 3.7115 3.8216 3.8933 3.8933 3.9230 3.9295 3.9295 4.0223 4.0234 4.0291 4.0291 4.2937 4.3277 4.3277 4.3572 4.3882 4.3882 4.5310 4.5310 4.5697 4.5991 4.5991 4.6133 6.1914 6.1944 6.2072 6.2072 6.2527 6.2527 7.8273 7.8276 7.8276 7.8284 8.3657 8.3657 8.4537 8.4613 8.4618 8.4618 10.4854 10.4854 10.7552 10.7583 k = 0.4314 0.4314 0.4314 ( 5932 PWs) bands (ev): -58.2583 -58.2583 -32.6908 -32.6908 -31.8662 -31.8662 -31.8662 -31.8662 -6.7555 -6.7555 -6.5966 -6.5966 -6.5931 -6.5915 -6.5656 -6.5656 0.8150 0.8150 0.8196 0.8244 0.8626 0.8626 1.5275 1.5275 2.1698 2.1969 2.1969 2.1997 2.2634 2.2634 2.2638 2.2849 2.3039 2.3039 2.7279 2.7279 2.7755 2.7840 2.8034 2.8034 3.7100 3.7100 3.8326 3.8964 3.8964 3.9252 3.9252 3.9276 4.0216 4.0244 4.0276 4.0276 4.3010 4.3290 4.3290 4.3587 4.3934 4.3934 4.5147 4.5147 4.5589 4.5856 4.5856 4.5973 6.2193 6.2217 6.2328 6.2328 6.2769 6.2769 7.8360 7.8364 7.8364 7.8370 8.3889 8.3889 8.4582 8.4651 8.4659 8.4659 10.4867 10.4867 10.6956 10.6987 k = 0.4412 0.4412 0.4412 ( 5935 PWs) bands (ev): -58.2584 -58.2584 -32.6908 -32.6908 -31.8662 -31.8662 -31.8662 -31.8662 -6.7397 -6.7397 -6.5997 -6.5997 -6.5961 -6.5947 -6.5730 -6.5730 0.8103 0.8103 0.8154 0.8195 0.8467 0.8467 1.5179 1.5179 2.1795 2.2050 2.2050 2.2095 2.2625 2.2626 2.2626 2.2850 2.3031 2.3031 2.7391 2.7391 2.7732 2.7804 2.8013 2.8013 3.7084 3.7084 3.8438 3.8993 3.8993 3.9211 3.9211 3.9306 4.0201 4.0260 4.0264 4.0264 4.3087 4.3317 4.3317 4.3601 4.3992 4.3992 4.4991 4.4991 4.5487 4.5722 4.5722 4.5817 6.2446 6.2465 6.2556 6.2556 6.2987 6.2987 7.8444 7.8447 7.8447 7.8452 8.4097 8.4097 8.4617 8.4679 8.4689 8.4689 10.4877 10.4877 10.6423 10.6452 k = 0.4510 0.4510 0.4510 ( 5941 PWs) bands (ev): -58.2584 -58.2584 -32.6908 -32.6908 -31.8663 -31.8663 -31.8663 -31.8663 -6.7250 -6.7250 -6.6024 -6.6024 -6.5986 -6.5974 -6.5803 -6.5803 0.8061 0.8061 0.8118 0.8152 0.8331 0.8331 1.5096 1.5096 2.1888 2.2120 2.2120 2.2183 2.2609 2.2624 2.2624 2.2842 2.3020 2.3020 2.7487 2.7487 2.7714 2.7774 2.8000 2.8000 3.7068 3.7068 3.8551 3.9018 3.9018 3.9175 3.9175 3.9316 4.0192 4.0255 4.0255 4.0269 4.3169 4.3354 4.3354 4.3612 4.4054 4.4054 4.4844 4.4844 4.5393 4.5593 4.5593 4.5667 6.2668 6.2684 6.2753 6.2753 6.3178 6.3178 7.8521 7.8524 7.8524 7.8527 8.4278 8.4278 8.4643 8.4696 8.4711 8.4711 10.4886 10.4886 10.5961 10.5987 k = 0.4608 0.4608 0.4608 ( 5938 PWs) bands (ev): -58.2584 -58.2584 -32.6908 -32.6908 -31.8663 -31.8663 -31.8663 -31.8663 -6.7118 -6.7118 -6.6047 -6.6047 -6.6006 -6.5996 -6.5874 -6.5874 0.8023 0.8023 0.8087 0.8115 0.8221 0.8221 1.5026 1.5026 2.1977 2.2176 2.2176 2.2259 2.2593 2.2631 2.2631 2.2826 2.3005 2.3005 2.7565 2.7565 2.7701 2.7748 2.7993 2.7993 3.7053 3.7053 3.8663 3.9040 3.9040 3.9143 3.9143 3.9305 4.0191 4.0249 4.0249 4.0273 4.3253 4.3400 4.3400 4.3619 4.4117 4.4117 4.4710 4.4710 4.5312 4.5473 4.5473 4.5530 6.2857 6.2868 6.2916 6.2916 6.3341 6.3341 7.8589 7.8592 7.8592 7.8594 8.4431 8.4431 8.4662 8.4706 8.4724 8.4724 10.4893 10.4893 10.5575 10.5598 k = 0.4706 0.4706 0.4706 ( 5929 PWs) bands (ev): -58.2583 -58.2583 -32.6908 -32.6908 -31.8663 -31.8663 -31.8663 -31.8663 -6.7003 -6.7003 -6.6065 -6.6065 -6.6021 -6.6014 -6.5940 -6.5940 0.7991 0.7991 0.8063 0.8084 0.8137 0.8137 1.4970 1.4970 2.2060 2.2218 2.2218 2.2311 2.2588 2.2645 2.2645 2.2802 2.2988 2.2988 2.7623 2.7623 2.7692 2.7727 2.7993 2.7993 3.7040 3.7040 3.8773 3.9056 3.9056 3.9118 3.9118 3.9273 4.0198 4.0245 4.0245 4.0272 4.3336 4.3449 4.3449 4.3618 4.4178 4.4178 4.4594 4.4594 4.5248 4.5365 4.5365 4.5410 6.3007 6.3016 6.3044 6.3044 6.3472 6.3472 7.8647 7.8648 7.8648 7.8650 8.4551 8.4551 8.4675 8.4709 8.4733 8.4733 10.4897 10.4897 10.5271 10.5288 k = 0.4804 0.4804 0.4804 ( 5923 PWs) bands (ev): -58.2583 -58.2583 -32.6908 -32.6908 -31.8663 -31.8663 -31.8663 -31.8663 -6.6911 -6.6911 -6.6082 -6.6082 -6.6032 -6.6027 -6.5994 -6.5994 0.7964 0.7964 0.8047 0.8061 0.8080 0.8080 1.4930 1.4930 2.2137 2.2245 2.2245 2.2328 2.2603 2.2663 2.2663 2.2769 2.2971 2.2971 2.7662 2.7662 2.7688 2.7710 2.7997 2.7997 3.7029 3.7029 3.8880 3.9068 3.9068 3.9101 3.9101 3.9222 4.0210 4.0242 4.0242 4.0265 4.3414 4.3494 4.3494 4.3606 4.4230 4.4230 4.4501 4.4501 4.5205 4.5278 4.5278 4.5311 6.3117 6.3123 6.3135 6.3135 6.3568 6.3568 7.8690 7.8691 7.8691 7.8692 8.4636 8.4636 8.4685 8.4707 8.4739 8.4739 10.4897 10.4897 10.5051 10.5064 k = 0.4902 0.4902 0.4902 ( 5904 PWs) bands (ev): -58.2583 -58.2583 -32.6908 -32.6908 -31.8663 -31.8663 -31.8663 -31.8663 -6.6850 -6.6850 -6.6095 -6.6095 -6.6038 -6.6035 -6.6028 -6.6028 0.7945 0.7945 0.8038 0.8045 0.8048 0.8048 1.4905 1.4905 2.2207 2.2260 2.2260 2.2309 2.2639 2.2678 2.2678 2.2729 2.2958 2.2958 2.7684 2.7684 2.7687 2.7699 2.8002 2.8002 3.7023 3.7023 3.8981 3.9073 3.9073 3.9094 3.9094 3.9154 4.0225 4.0241 4.0241 4.0255 4.3483 4.3527 4.3527 4.3581 4.4265 4.4265 4.4442 4.4442 4.5188 4.5220 4.5220 4.5240 6.3185 6.3188 6.3190 6.3190 6.3626 6.3626 7.8717 7.8718 7.8718 7.8718 8.4684 8.4684 8.4692 8.4703 8.4746 8.4746 10.4888 10.4888 10.4920 10.4926 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.2583 -58.2583 -32.6908 -32.6908 -31.8663 -31.8663 -31.8663 -31.8663 -6.6828 -6.6828 -6.6102 -6.6102 -6.6039 -6.6039 -6.6039 -6.6039 0.7938 0.7938 0.8038 0.8038 0.8038 0.8038 1.4897 1.4897 2.2265 2.2265 2.2265 2.2265 2.2684 2.2684 2.2684 2.2684 2.2953 2.2953 2.7691 2.7691 2.7691 2.7691 2.8004 2.8004 3.7021 3.7021 3.9073 3.9073 3.9073 3.9073 3.9093 3.9093 4.0241 4.0241 4.0241 4.0241 4.3540 4.3540 4.3540 4.3540 4.4277 4.4277 4.4422 4.4422 4.5199 4.5199 4.5199 4.5199 6.3208 6.3208 6.3208 6.3208 6.3646 6.3646 7.8727 7.8727 7.8727 7.8727 8.4698 8.4698 8.4698 8.4698 8.4750 8.4750 10.4878 10.4878 10.4878 10.4878 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.2583 -58.2583 -32.6908 -32.6908 -31.8663 -31.8663 -31.8663 -31.8663 -6.6828 -6.6828 -6.6102 -6.6102 -6.6039 -6.6039 -6.6039 -6.6039 0.7938 0.7938 0.8038 0.8038 0.8038 0.8038 1.4897 1.4897 2.2265 2.2265 2.2265 2.2265 2.2684 2.2684 2.2684 2.2684 2.2953 2.2953 2.7691 2.7691 2.7691 2.7691 2.8004 2.8004 3.7021 3.7021 3.9073 3.9073 3.9073 3.9073 3.9093 3.9093 4.0241 4.0241 4.0241 4.0241 4.3540 4.3540 4.3540 4.3540 4.4277 4.4277 4.4422 4.4422 4.5199 4.5199 4.5199 4.5199 6.3208 6.3208 6.3208 6.3208 6.3646 6.3646 7.8727 7.8727 7.8727 7.8727 8.4698 8.4698 8.4698 8.4698 8.4750 8.4750 10.4878 10.4878 10.4878 10.4878 k = 0.4881 0.5000 0.4881 ( 5904 PWs) bands (ev): -58.2583 -58.2583 -32.6908 -32.6908 -31.8663 -31.8663 -31.8663 -31.8663 -6.6850 -6.6849 -6.6096 -6.6096 -6.6038 -6.6036 -6.6028 -6.6027 0.7945 0.7945 0.8039 0.8045 0.8046 0.8048 1.4905 1.4905 2.2209 2.2247 2.2273 2.2307 2.2640 2.2667 2.2690 2.2727 2.2958 2.2958 2.7683 2.7686 2.7687 2.7698 2.8002 2.8002 3.7023 3.7023 3.8985 3.9052 3.9085 3.9092 3.9103 3.9151 4.0226 4.0237 4.0245 4.0254 4.3483 4.3517 4.3538 4.3580 4.4264 4.4268 4.4439 4.4444 4.5188 4.5214 4.5223 4.5241 6.3183 6.3185 6.3192 6.3193 6.3627 6.3627 7.8712 7.8713 7.8723 7.8723 8.4682 8.4688 8.4692 8.4703 8.4745 8.4747 10.4891 10.4894 10.4915 10.4921 k = 0.4762 0.5000 0.4762 ( 5926 PWs) bands (ev): -58.2583 -58.2583 -32.6908 -32.6908 -31.8663 -31.8663 -31.8663 -31.8663 -6.6909 -6.6909 -6.6086 -6.6084 -6.6034 -6.6029 -6.5991 -6.5989 0.7964 0.7964 0.8050 0.8062 0.8074 0.8078 1.4929 1.4929 2.2142 2.2221 2.2267 2.2329 2.2599 2.2647 2.2682 2.2764 2.2970 2.2974 2.7662 2.7669 2.7685 2.7707 2.7996 2.7997 3.7029 3.7029 3.8888 3.9035 3.9078 3.9088 3.9132 3.9219 4.0211 4.0234 4.0249 4.0265 4.3406 4.3484 4.3509 4.3610 4.4232 4.4248 4.4477 4.4505 4.5203 4.5270 4.5275 4.5320 6.3109 6.3114 6.3144 6.3147 6.3569 6.3570 7.8670 7.8672 7.8711 7.8713 8.4632 8.4648 8.4685 8.4703 8.4735 8.4743 10.4923 10.4932 10.5012 10.5016 k = 0.4643 0.5000 0.4643 ( 5934 PWs) bands (ev): -58.2583 -58.2583 -32.6908 -32.6908 -31.8663 -31.8663 -31.8663 -31.8663 -6.6998 -6.6998 -6.6079 -6.6077 -6.6021 -6.6014 -6.5933 -6.5930 0.7990 0.7991 0.8072 0.8090 0.8123 0.8130 1.4969 1.4969 2.2066 2.2188 2.2241 2.2331 2.2556 2.2638 2.2663 2.2795 2.2988 2.2998 2.7627 2.7637 2.7686 2.7718 2.7991 2.7992 3.7039 3.7040 3.8786 3.9024 3.9066 3.9082 3.9164 3.9276 4.0198 4.0232 4.0253 4.0274 4.3312 4.3446 4.3458 4.3627 4.4198 4.4228 4.4528 4.4594 4.5245 4.5351 4.5359 4.5429 6.2987 6.2994 6.3064 6.3069 6.3477 6.3480 7.8604 7.8607 7.8693 7.8695 8.4545 8.4572 8.4674 8.4698 8.4729 8.4739 10.4965 10.4981 10.5151 10.5152 k = 0.4524 0.5000 0.4524 ( 5938 PWs) bands (ev): -58.2584 -58.2584 -32.6908 -32.6908 -31.8663 -31.8663 -31.8663 -31.8663 -6.7108 -6.7107 -6.6078 -6.6076 -6.5999 -6.5991 -6.5862 -6.5858 0.8019 0.8022 0.8109 0.8130 0.8195 0.8204 1.5024 1.5024 2.1984 2.2149 2.2190 2.2320 2.2504 2.2635 2.2651 2.2820 2.3007 2.3026 2.7575 2.7590 2.7688 2.7730 2.7989 2.7992 3.7051 3.7054 3.8680 3.9016 3.9051 3.9075 3.9194 3.9324 4.0190 4.0231 4.0255 4.0281 4.3210 4.3395 4.3406 4.3627 4.4177 4.4215 4.4583 4.4696 4.5313 4.5451 4.5469 4.5558 6.2816 6.2828 6.2952 6.2959 6.3355 6.3361 7.8516 7.8520 7.8667 7.8670 8.4426 8.4463 8.4660 8.4684 8.4724 8.4732 10.5020 10.5043 10.5336 10.5341 k = 0.4405 0.5000 0.4405 ( 5936 PWs) bands (ev): -58.2584 -58.2584 -32.6908 -32.6908 -31.8663 -31.8663 -31.8662 -31.8662 -6.7232 -6.7231 -6.6080 -6.6078 -6.5968 -6.5959 -6.5785 -6.5779 0.8048 0.8056 0.8162 0.8183 0.8289 0.8301 1.5093 1.5094 2.1895 2.2103 2.2116 2.2303 2.2442 2.2600 2.2677 2.2840 2.3028 2.3055 2.7506 2.7526 2.7689 2.7741 2.7996 2.7999 3.7065 3.7071 3.8572 3.9010 3.9031 3.9070 3.9214 3.9370 4.0189 4.0232 4.0255 4.0288 4.3104 4.3329 4.3366 4.3609 4.4177 4.4214 4.4638 4.4803 4.5407 4.5576 4.5591 4.5697 6.2600 6.2616 6.2807 6.2817 6.3206 6.3217 7.8411 7.8418 7.8635 7.8637 8.4276 8.4322 8.4641 8.4665 8.4715 8.4719 10.5092 10.5121 10.5572 10.5579 k = 0.4286 0.5000 0.4286 ( 5928 PWs) bands (ev): -58.2583 -58.2583 -32.6908 -32.6908 -31.8663 -31.8663 -31.8662 -31.8662 -6.7367 -6.7366 -6.6086 -6.6084 -6.5930 -6.5919 -6.5704 -6.5698 0.8077 0.8091 0.8228 0.8249 0.8405 0.8420 1.5176 1.5178 2.1802 2.2028 2.2052 2.2277 2.2375 2.2559 2.2710 2.2857 2.3049 2.3082 2.7419 2.7443 2.7691 2.7751 2.8015 2.8016 3.7080 3.7088 3.8464 3.9000 3.9009 3.9071 3.9217 3.9420 4.0193 4.0234 4.0251 4.0296 4.3001 4.3263 4.3326 4.3577 4.4198 4.4227 4.4694 4.4912 4.5522 4.5721 4.5725 4.5841 6.2341 6.2361 6.2631 6.2643 6.3036 6.3051 7.8294 7.8304 7.8595 7.8598 8.4099 8.4153 8.4613 8.4638 8.4697 8.4699 10.5182 10.5216 10.5858 10.5867 k = 0.4167 0.5000 0.4167 ( 5940 PWs) bands (ev): -58.2584 -58.2584 -32.6908 -32.6908 -31.8663 -31.8663 -31.8662 -31.8662 -6.7512 -6.7510 -6.6095 -6.6093 -6.5883 -6.5872 -6.5621 -6.5614 0.8108 0.8128 0.8305 0.8326 0.8542 0.8558 1.5271 1.5274 2.1703 2.1930 2.1996 2.2237 2.2309 2.2512 2.2746 2.2872 2.3069 2.3108 2.7315 2.7342 2.7693 2.7760 2.8044 2.8045 3.7093 3.7103 3.8358 3.8981 3.8984 3.9081 3.9202 3.9476 4.0201 4.0239 4.0243 4.0305 4.2903 4.3201 4.3291 4.3538 4.4231 4.4250 4.4752 4.5021 4.5649 4.5855 4.5894 4.5985 6.2046 6.2070 6.2426 6.2440 6.2845 6.2863 7.8169 7.8182 7.8549 7.8551 8.3897 8.3957 8.4577 8.4602 8.4669 8.4670 10.5290 10.5329 10.6192 10.6202 k = 0.4048 0.5000 0.4048 ( 5944 PWs) bands (ev): -58.2584 -58.2584 -32.6908 -32.6908 -31.8662 -31.8662 -31.8662 -31.8662 -6.7664 -6.7661 -6.6106 -6.6105 -6.5830 -6.5817 -6.5537 -6.5530 0.8141 0.8167 0.8393 0.8414 0.8697 0.8715 1.5377 1.5381 2.1602 2.1826 2.1934 2.2169 2.2259 2.2461 2.2781 2.2884 2.3090 2.3132 2.7194 2.7224 2.7697 2.7771 2.8083 2.8086 3.7103 3.7113 3.8258 3.8950 3.8964 3.9097 3.9175 3.9537 4.0209 4.0232 4.0250 4.0315 4.2813 4.3145 4.3262 4.3498 4.4271 4.4281 4.4818 4.5132 4.5780 4.5996 4.6073 4.6132 6.1720 6.1747 6.2195 6.2210 6.2634 6.2656 7.8040 7.8057 7.8496 7.8497 8.3673 8.3739 8.4529 8.4557 8.4629 8.4630 10.5418 10.5461 10.6571 10.6582 k = 0.3929 0.5000 0.3929 ( 5956 PWs) bands (ev): -58.2584 -58.2584 -32.6908 -32.6908 -31.8662 -31.8662 -31.8662 -31.8662 -6.7823 -6.7819 -6.6121 -6.6120 -6.5770 -6.5757 -6.5453 -6.5445 0.8176 0.8207 0.8490 0.8512 0.8870 0.8888 1.5493 1.5498 2.1498 2.1717 2.1867 2.2080 2.2220 2.2406 2.2814 2.2894 2.3114 2.3156 2.7058 2.7091 2.7705 2.7785 2.8130 2.8136 3.7108 3.7114 3.8168 3.8913 3.8940 3.9119 3.9143 3.9601 4.0213 4.0220 4.0267 4.0325 4.2731 4.3098 4.3243 4.3463 4.4313 4.4314 4.4895 4.5245 4.5904 4.6147 4.6226 4.6310 6.1371 6.1398 6.1941 6.1957 6.2405 6.2428 7.7910 7.7931 7.8436 7.8437 8.3430 8.3501 8.4470 8.4500 8.4576 8.4578 10.5565 10.5612 10.6994 10.7006 k = 0.3810 0.5000 0.3810 ( 5948 PWs) bands (ev): -58.2584 -58.2584 -32.6907 -32.6907 -31.8662 -31.8662 -31.8662 -31.8662 -6.7986 -6.7983 -6.6139 -6.6138 -6.5704 -6.5690 -6.5368 -6.5360 0.8211 0.8247 0.8594 0.8617 0.9058 0.9077 1.5616 1.5623 2.1392 2.1606 2.1796 2.1982 2.2181 2.2348 2.2844 2.2903 2.3141 2.3182 2.6910 2.6944 2.7719 2.7804 2.8187 2.8194 3.7102 3.7107 3.8092 3.8869 3.8915 3.9112 3.9145 3.9665 4.0207 4.0216 4.0288 4.0336 4.2661 4.3061 4.3236 4.3436 4.4345 4.4354 4.4985 4.5363 4.6013 4.6310 4.6346 4.6523 6.1004 6.1032 6.1668 6.1684 6.2158 6.2180 7.7782 7.7807 7.8368 7.8371 8.3173 8.3246 8.4399 8.4431 8.4510 8.4513 10.5730 10.5780 10.7459 10.7471 k = 0.3690 0.5000 0.3690 ( 5940 PWs) bands (ev): -58.2584 -58.2584 -32.6907 -32.6907 -31.8662 -31.8662 -31.8661 -31.8661 -6.8154 -6.8150 -6.6160 -6.6160 -6.5632 -6.5617 -6.5283 -6.5274 0.8246 0.8288 0.8706 0.8730 0.9261 0.9280 1.5744 1.5754 2.1286 2.1494 2.1722 2.1879 2.2141 2.2287 2.2871 2.2912 2.3175 2.3210 2.6751 2.6785 2.7741 2.7831 2.8251 2.8259 3.7073 3.7097 3.8033 3.8818 3.8888 3.9090 3.9173 3.9728 4.0194 4.0218 4.0311 4.0347 4.2603 4.3035 4.3241 4.3418 4.4374 4.4390 4.5087 4.5485 4.6102 4.6447 4.6487 4.6749 6.0627 6.0653 6.1380 6.1396 6.1893 6.1913 7.7658 7.7688 7.8292 7.8299 8.2905 8.2978 8.4315 8.4349 8.4432 8.4435 10.5913 10.5966 10.7962 10.7974 k = 0.3571 0.5000 0.3571 ( 5936 PWs) bands (ev): -58.2584 -58.2584 -32.6907 -32.6907 -31.8662 -31.8662 -31.8661 -31.8661 -6.8326 -6.8322 -6.6185 -6.6185 -6.5555 -6.5538 -6.5197 -6.5187 0.8281 0.8327 0.8823 0.8847 0.9476 0.9494 1.5876 1.5889 2.1179 2.1381 2.1644 2.1771 2.2098 2.2224 2.2896 2.2922 2.3215 2.3242 2.6581 2.6615 2.7770 2.7866 2.8321 2.8330 3.7026 3.7078 3.7991 3.8761 3.8860 3.9078 3.9201 3.9785 4.0182 4.0219 4.0334 4.0359 4.2557 4.3020 4.3259 4.3409 4.4400 4.4420 4.5200 4.5612 4.6171 4.6528 4.6673 4.6985 6.0246 6.0268 6.1082 6.1096 6.1611 6.1626 7.7538 7.7573 7.8209 7.8220 8.2629 8.2701 8.4218 8.4253 8.4340 8.4345 10.6113 10.6168 10.8501 10.8512 k = 0.3452 0.5000 0.3452 ( 5936 PWs) bands (ev): -58.2584 -58.2584 -32.6907 -32.6907 -31.8662 -31.8662 -31.8661 -31.8661 -6.8501 -6.8496 -6.6214 -6.6214 -6.5472 -6.5455 -6.5110 -6.5099 0.8314 0.8365 0.8944 0.8970 0.9701 0.9718 1.6008 1.6025 2.1074 2.1269 2.1564 2.1662 2.2053 2.2160 2.2919 2.2935 2.3261 2.3278 2.6403 2.6436 2.7810 2.7909 2.8399 2.8407 3.6962 3.7048 3.7966 3.8699 3.8832 3.9078 3.9228 3.9836 4.0173 4.0219 4.0355 4.0371 4.2524 4.3017 4.3290 4.3411 4.4424 4.4443 4.5322 4.5744 4.6219 4.6590 4.6866 4.7226 5.9866 5.9881 6.0776 6.0787 6.1314 6.1322 7.7425 7.7465 7.8117 7.8135 8.2351 8.2420 8.4109 8.4143 8.4235 8.4244 10.6327 10.6384 10.9073 10.9085 k = 0.3333 0.5000 0.3333 ( 5944 PWs) bands (ev): -58.2584 -58.2584 -32.6907 -32.6907 -31.8662 -31.8662 -31.8661 -31.8661 -6.8678 -6.8673 -6.6246 -6.6246 -6.5385 -6.5366 -6.5022 -6.5011 0.8344 0.8399 0.9067 0.9095 0.9934 0.9950 1.6138 1.6160 2.0969 2.1159 2.1482 2.1551 2.2007 2.2096 2.2943 2.2952 2.3314 2.3318 2.6218 2.6250 2.7861 2.7963 2.8482 2.8489 3.6885 3.7006 3.7953 3.8635 3.8803 3.9091 3.9250 3.9879 4.0167 4.0219 4.0374 4.0385 4.2505 4.3027 4.3332 4.3424 4.4446 4.4459 4.5448 4.5880 4.6248 4.6629 4.7064 4.7472 5.9492 5.9497 6.0466 6.0473 6.1000 6.1005 7.7318 7.7363 7.8016 7.8041 8.2075 8.2137 8.3987 8.4019 8.4119 8.4132 10.6553 10.6611 10.9676 10.9687 k = 0.3214 0.5000 0.3214 ( 5936 PWs) bands (ev): -58.2584 -58.2584 -32.6907 -32.6907 -31.8662 -31.8662 -31.8660 -31.8660 -6.8857 -6.8851 -6.6282 -6.6282 -6.5293 -6.5274 -6.4933 -6.4922 0.8370 0.8429 0.9193 0.9221 1.0173 1.0187 1.6264 1.6291 2.0868 2.1051 2.1401 2.1441 2.1959 2.2031 2.2972 2.2976 2.3364 2.3373 2.6029 2.6058 2.7923 2.8026 2.8571 2.8576 3.6798 3.6955 3.7949 3.8572 3.8775 3.9115 3.9267 3.9912 4.0167 4.0218 4.0393 4.0402 4.2499 4.3048 4.3384 4.3448 4.4466 4.4468 4.5572 4.6020 4.6263 4.6646 4.7266 4.7721 5.9119 5.9128 6.0156 6.0157 6.0665 6.0687 7.7218 7.7267 7.7904 7.7939 8.1804 8.1857 8.3853 8.3880 8.3991 8.4012 10.6789 10.6847 11.0306 11.0318 k = 0.3095 0.5000 0.3095 ( 5932 PWs) bands (ev): -58.2584 -58.2584 -32.6907 -32.6907 -31.8662 -31.8662 -31.8660 -31.8660 -6.9036 -6.9030 -6.6322 -6.6321 -6.5197 -6.5177 -6.4843 -6.4831 0.8391 0.8454 0.9318 0.9348 1.0417 1.0428 1.6383 1.6416 2.0769 2.0947 2.1319 2.1334 2.1910 2.1967 2.3006 2.3010 2.3414 2.3436 2.5837 2.5862 2.7997 2.8100 2.8665 2.8667 3.6707 3.6893 3.7949 3.8510 3.8746 3.9151 3.9274 3.9936 4.0171 4.0215 4.0410 4.0422 4.2505 4.3079 4.3442 4.3484 4.4466 4.4493 4.5683 4.6162 4.6276 4.6642 4.7470 4.7972 5.8748 5.8773 5.9840 5.9851 6.0319 6.0365 7.7126 7.7179 7.7781 7.7827 8.1545 8.1586 8.3707 8.3729 8.3855 8.3884 10.7031 10.7090 11.0962 11.0973 k = 0.2976 0.5000 0.2976 ( 5932 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8662 -31.8662 -31.8660 -31.8660 -6.9215 -6.9210 -6.6364 -6.6364 -6.5098 -6.5077 -6.4752 -6.4741 0.8406 0.8473 0.9443 0.9473 1.0662 1.0670 1.6493 1.6532 2.0675 2.0847 2.1230 2.1239 2.1860 2.1903 2.3049 2.3054 2.3470 2.3505 2.5643 2.5664 2.8084 2.8185 2.8763 2.8764 3.6613 3.6824 3.7951 3.8449 3.8718 3.9196 3.9271 3.9949 4.0179 4.0209 4.0427 4.0449 4.2524 4.3118 4.3501 4.3532 4.4456 4.4521 4.5759 4.6298 4.6308 4.6624 4.7674 4.8223 5.8382 5.8429 5.9526 5.9552 5.9967 6.0044 7.7040 7.7097 7.7645 7.7704 8.1300 8.1326 8.3549 8.3565 8.3713 8.3750 10.7277 10.7335 11.1638 11.1650 k = 0.2857 0.5000 0.2857 ( 5944 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8662 -31.8662 -31.8660 -31.8660 -6.9394 -6.9388 -6.6409 -6.6409 -6.4995 -6.4975 -6.4661 -6.4649 0.8414 0.8484 0.9565 0.9596 1.0907 1.0911 1.6593 1.6638 2.0586 2.0753 2.1131 2.1162 2.1810 2.1841 2.3102 2.3110 2.3530 2.3577 2.5450 2.5465 2.8184 2.8280 2.8864 2.8868 3.6520 3.6749 3.7952 3.8391 3.8690 3.9251 3.9256 3.9952 4.0189 4.0198 4.0445 4.0484 4.2554 4.3162 4.3555 4.3591 4.4436 4.4555 4.5772 4.6389 4.6394 4.6627 4.7877 4.8472 5.8017 5.8093 5.9219 5.9262 5.9613 5.9731 7.6960 7.7022 7.7495 7.7569 8.1074 8.1084 8.3380 8.3391 8.3566 8.3612 10.7524 10.7581 11.2333 11.2346 k = 0.2738 0.5000 0.2738 ( 5942 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8661 -31.8661 -31.8659 -31.8659 -6.9571 -6.9565 -6.6457 -6.6457 -6.4891 -6.4870 -6.4569 -6.4557 0.8414 0.8487 0.9682 0.9715 1.1149 1.1150 1.6681 1.6733 2.0504 2.0666 2.1038 2.1089 2.1760 2.1779 2.3164 2.3179 2.3596 2.3652 2.5259 2.5267 2.8298 2.8387 2.8969 2.8978 3.6430 3.6669 3.7951 3.8335 3.8663 3.9231 3.9313 3.9945 4.0185 4.0200 4.0465 4.0530 4.2594 4.3211 4.3600 4.3664 4.4408 4.4594 4.5721 4.6380 4.6523 4.6723 4.8078 4.8719 5.7650 5.7760 5.8922 5.8985 5.9267 5.9433 7.6888 7.6953 7.7331 7.7420 8.0861 8.0870 8.3200 8.3206 8.3417 8.3470 10.7768 10.7823 11.3043 11.3057 k = 0.2619 0.5000 0.2619 ( 5954 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8661 -31.8661 -31.8659 -31.8659 -6.9746 -6.9740 -6.6507 -6.6507 -6.4785 -6.4763 -6.4478 -6.4465 0.8406 0.8481 0.9795 0.9828 1.1383 1.1387 1.6757 1.6815 2.0429 2.0586 2.0951 2.1019 2.1709 2.1720 2.3237 2.3259 2.3667 2.3731 2.5072 2.5073 2.8425 2.8506 2.9079 2.9093 3.6343 3.6587 3.7946 3.8281 3.8637 3.9194 3.9380 3.9927 4.0169 4.0209 4.0486 4.0585 4.2643 4.3261 4.3629 4.3746 4.4370 4.4639 4.5625 4.6291 4.6697 4.6878 4.8277 4.8962 5.7274 5.7421 5.8640 5.8718 5.8942 5.9155 7.6821 7.6890 7.7152 7.7257 8.0663 8.0691 8.3011 8.3014 8.3267 8.3326 10.8006 10.8060 11.3765 11.3780 k = 0.2500 0.5000 0.2500 ( 5940 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8661 -31.8661 -31.8659 -31.8659 -6.9919 -6.9913 -6.6558 -6.6558 -6.4677 -6.4655 -6.4386 -6.4374 0.8389 0.8466 0.9902 0.9936 1.1609 1.1618 1.6819 1.6884 2.0362 2.0516 2.0874 2.0956 2.1660 2.1662 2.3317 2.3350 2.3742 2.3813 2.4882 2.4893 2.8566 2.8637 2.9193 2.9213 3.6263 3.6504 3.7937 3.8230 3.8613 3.9150 3.9453 3.9898 4.0154 4.0217 4.0509 4.0650 4.2700 4.3312 4.3641 4.3838 4.4324 4.4685 4.5505 4.6170 4.6900 4.7055 4.8472 4.9201 5.6883 5.7070 5.8377 5.8453 5.8657 5.8903 7.6760 7.6832 7.6960 7.7079 8.0490 8.0538 8.2814 8.2815 8.3118 8.3182 10.8237 10.8287 11.4493 11.4511 k = 0.2381 0.5000 0.2381 ( 5950 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8661 -31.8661 -31.8658 -31.8658 -7.0088 -7.0082 -6.6611 -6.6611 -6.4569 -6.4547 -6.4294 -6.4282 0.8363 0.8441 1.0002 1.0036 1.1826 1.1840 1.6870 1.6940 2.0305 2.0455 2.0804 2.0899 2.1607 2.1611 2.3404 2.3449 2.3823 2.3897 2.4697 2.4721 2.8720 2.8779 2.9313 2.9338 3.6187 3.6421 3.7923 3.8180 3.8590 3.9097 3.9528 3.9858 4.0141 4.0223 4.0535 4.0721 4.2762 4.3361 4.3634 4.3932 4.4274 4.4720 4.5376 4.6027 4.7124 4.7242 4.8662 4.9433 5.6473 5.6701 5.8136 5.8186 5.8427 5.8679 7.6704 7.6747 7.6787 7.6889 8.0343 8.0410 8.2613 8.2613 8.2970 8.3038 10.8456 10.8503 11.5225 11.5245 k = 0.2262 0.5000 0.2262 ( 5950 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8661 -31.8661 -31.8658 -31.8658 -7.0253 -7.0247 -6.6665 -6.6665 -6.4460 -6.4439 -6.4204 -6.4192 0.8328 0.8406 1.0094 1.0127 1.2032 1.2051 1.6908 1.6983 2.0258 2.0405 2.0744 2.0849 2.1553 2.1563 2.3493 2.3554 2.3909 2.3982 2.4520 2.4562 2.8887 2.8933 2.9437 2.9469 3.6118 3.6339 3.7902 3.8132 3.8570 3.9041 3.9603 3.9808 4.0130 4.0228 4.0563 4.0798 4.2827 4.3408 4.3610 4.4012 4.4237 4.4727 4.5263 4.5870 4.7366 4.7440 4.8847 4.9657 5.6044 5.6308 5.7918 5.7927 5.8245 5.8486 7.6537 7.6638 7.6701 7.6735 8.0222 8.0306 8.2410 8.2410 8.2825 8.2896 10.8662 10.8705 11.5956 11.5979 k = 0.2143 0.5000 0.2143 ( 5954 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8661 -31.8661 -31.8658 -31.8658 -7.0414 -7.0408 -6.6719 -6.6719 -6.4352 -6.4331 -6.4115 -6.4103 0.8284 0.8362 1.0177 1.0211 1.2226 1.2249 1.6935 1.7013 2.0223 2.0368 2.0693 2.0805 2.1502 2.1517 2.3579 2.3662 2.3999 2.4068 2.4352 2.4421 2.9067 2.9099 2.9567 2.9606 3.6055 3.6259 3.7875 3.8086 3.8553 3.8981 3.9676 3.9750 4.0123 4.0232 4.0591 4.0875 4.2891 4.3450 4.3569 4.4027 4.4261 4.4679 4.5200 4.5701 4.7622 4.7645 4.9025 4.9872 5.5598 5.5895 5.7689 5.7724 5.8102 5.8324 7.6316 7.6461 7.6621 7.6692 8.0125 8.0224 8.2207 8.2209 8.2684 8.2756 10.8852 10.8891 11.6681 11.6708 k = 0.2024 0.5000 0.2024 ( 5950 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8661 -31.8661 -31.8657 -31.8657 -7.0569 -7.0564 -6.6773 -6.6773 -6.4246 -6.4225 -6.4027 -6.4015 0.8231 0.8309 1.0252 1.0285 1.2406 1.2434 1.6953 1.7033 2.0200 2.0343 2.0652 2.0769 2.1454 2.1471 2.3652 2.3771 2.4091 2.4147 2.4194 2.4311 2.9259 2.9276 2.9703 2.9749 3.5998 3.6181 3.7840 3.8042 3.8539 3.8921 3.9674 3.9759 4.0119 4.0237 4.0621 4.0952 4.2947 4.3485 4.3513 4.3973 4.4354 4.4574 4.5196 4.5529 4.7856 4.7888 4.9195 5.0075 5.5138 5.5463 5.7477 5.7555 5.7990 5.8191 7.6090 7.6243 7.6579 7.6653 8.0049 8.0161 8.2009 8.2012 8.2546 8.2619 10.9025 10.9060 11.7395 11.7425 k = 0.1905 0.5000 0.1905 ( 5952 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8661 -31.8661 -31.8657 -31.8657 -7.0719 -7.0713 -6.6827 -6.6827 -6.4141 -6.4120 -6.3941 -6.3930 0.8171 0.8248 1.0318 1.0350 1.2571 1.2603 1.6961 1.7042 2.0191 2.0331 2.0619 2.0739 2.1408 2.1428 2.3694 2.3872 2.4046 2.4178 2.4193 2.4290 2.9461 2.9463 2.9844 2.9898 3.5946 3.6104 3.7799 3.7998 3.8528 3.8864 3.9604 3.9827 4.0120 4.0241 4.0652 4.1025 4.2987 4.3444 4.3506 4.3898 4.4446 4.4469 4.5228 4.5359 4.8070 4.8159 4.9358 5.0263 5.4668 5.5017 5.7295 5.7411 5.7904 5.8085 7.5864 7.6020 7.6544 7.6619 7.9990 8.0112 8.1818 8.1824 8.2413 8.2487 10.9180 10.9209 11.8093 11.8122 k = 0.1786 0.5000 0.1786 ( 5948 PWs) bands (ev): -58.2584 -58.2584 -32.6905 -32.6905 -31.8661 -31.8661 -31.8657 -31.8657 -7.0862 -7.0857 -6.6880 -6.6880 -6.4038 -6.4018 -6.3858 -6.3847 0.8105 0.8179 1.0375 1.0406 1.2721 1.2757 1.6961 1.7043 2.0194 2.0334 2.0595 2.0716 2.1364 2.1386 2.3686 2.3880 2.4006 2.4175 2.4291 2.4361 2.9659 2.9672 2.9991 3.0053 3.5897 3.6030 3.7752 3.7957 3.8521 3.8810 3.9528 3.9892 4.0126 4.0247 4.0681 4.1092 4.3000 4.3359 4.3502 4.3821 4.4332 4.4590 4.5201 4.5278 4.8286 4.8430 4.9511 5.0434 5.4192 5.4562 5.7144 5.7294 5.7841 5.8002 7.5639 7.5796 7.6513 7.6588 7.9942 8.0073 8.1640 8.1649 8.2286 8.2359 10.9314 10.9337 11.8750 11.8766 k = 0.1667 0.5000 0.1667 ( 5930 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8661 -31.8661 -31.8657 -31.8657 -7.0999 -7.0994 -6.6932 -6.6931 -6.3939 -6.3920 -6.3777 -6.3767 0.8033 0.8105 1.0423 1.0453 1.2856 1.2894 1.6955 1.7035 2.0212 2.0350 2.0579 2.0698 2.1324 2.1345 2.3630 2.3761 2.4096 2.4212 2.4389 2.4446 2.9863 2.9889 3.0143 3.0215 3.5852 3.5957 3.7700 3.7917 3.8517 3.8764 3.9451 3.9950 4.0139 4.0253 4.0707 4.1151 4.2976 4.3255 4.3464 4.3753 4.4260 4.4707 4.5073 4.5336 4.8501 4.8695 4.9655 5.0585 5.3715 5.4104 5.7025 5.7207 5.7796 5.7938 7.5420 7.5574 7.6486 7.6560 7.9900 8.0036 8.1480 8.1491 8.2166 8.2237 10.9426 10.9444 11.8444 11.8611 k = 0.1548 0.5000 0.1548 ( 5946 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8660 -31.8660 -31.8656 -31.8656 -7.1128 -7.1123 -6.6981 -6.6981 -6.3843 -6.3825 -6.3700 -6.3690 0.7957 0.8026 1.0462 1.0491 1.2974 1.3015 1.6943 1.7020 2.0242 2.0378 2.0570 2.0686 2.1285 2.1307 2.3551 2.3644 2.4191 2.4273 2.4485 2.4532 3.0073 3.0111 3.0301 3.0382 3.5805 3.5884 3.7645 3.7877 3.8515 3.8725 3.9373 3.9998 4.0160 4.0260 4.0728 4.1197 4.2916 4.3124 4.3388 4.3687 4.4246 4.4789 4.5014 4.5398 4.8711 4.8948 4.9787 5.0713 5.3239 5.3644 5.6940 5.7150 5.7766 5.7891 7.5207 7.5358 7.6463 7.6536 7.9857 7.9995 8.1344 8.1356 8.2052 8.2121 10.9517 10.9530 11.7719 11.7871 k = 0.1429 0.5000 0.1429 ( 5938 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8660 -31.8660 -31.8656 -31.8656 -7.1249 -7.1245 -6.7029 -6.7029 -6.3751 -6.3734 -6.3627 -6.3618 0.7878 0.7944 1.0495 1.0522 1.3078 1.3120 1.6926 1.6999 2.0284 2.0418 2.0568 2.0678 2.1251 2.1271 2.3465 2.3536 2.4283 2.4345 2.4578 2.4615 3.0287 3.0334 3.0464 3.0555 3.5758 3.5812 3.7592 3.7839 3.8515 3.8697 3.9298 4.0034 4.0193 4.0269 4.0740 4.1230 4.2826 4.2970 4.3290 4.3604 4.4288 4.4799 4.5075 4.5464 4.8915 4.9185 4.9908 5.0815 5.2770 5.3190 5.6889 5.7124 5.7749 5.7856 7.5003 7.5148 7.6444 7.6514 7.9808 7.9944 8.1238 8.1249 8.1945 8.2012 10.9585 10.9592 11.6992 11.7143 k = 0.1310 0.5000 0.1310 ( 5942 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8660 -31.8660 -31.8656 -31.8656 -7.1363 -7.1358 -6.7075 -6.7074 -6.3664 -6.3648 -6.3558 -6.3549 0.7798 0.7860 1.0520 1.0545 1.3168 1.3209 1.6905 1.6973 2.0337 2.0466 2.0573 2.0675 2.1219 2.1237 2.3381 2.3437 2.4369 2.4417 2.4665 2.4695 3.0502 3.0555 3.0631 3.0733 3.5706 3.5738 3.7542 3.7802 3.8514 3.8682 3.9225 4.0062 4.0234 4.0279 4.0740 4.1247 4.2709 4.2812 4.3180 4.3493 4.4371 4.4799 4.5195 4.5531 4.9110 4.9400 5.0015 5.0889 5.2312 5.2743 5.6873 5.7128 5.7741 5.7832 7.4811 7.4948 7.6427 7.6494 7.9748 7.9878 8.1165 8.1173 8.1846 8.1910 10.9631 10.9632 11.6286 11.6435 k = 0.1190 0.5000 0.1190 ( 5948 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8660 -31.8660 -31.8656 -31.8656 -7.1468 -7.1464 -6.7117 -6.7117 -6.3583 -6.3568 -6.3493 -6.3485 0.7719 0.7777 1.0539 1.0562 1.3243 1.3284 1.6882 1.6944 2.0398 2.0515 2.0589 2.0674 2.1190 2.1205 2.3300 2.3347 2.4450 2.4488 2.4745 2.4770 3.0716 3.0771 3.0802 3.0915 3.5648 3.5662 3.7500 3.7767 3.8513 3.8681 3.9157 4.0084 4.0279 4.0292 4.0725 4.1247 4.2557 4.2677 4.3067 4.3352 4.4484 4.4829 4.5329 4.5599 4.9293 4.9591 5.0109 5.0932 5.1872 5.2307 5.6890 5.7162 5.7741 5.7816 7.4630 7.4759 7.6413 7.6477 7.9676 7.9796 8.1125 8.1128 8.1756 8.1815 10.9648 10.9652 11.5613 11.5759 k = 0.1071 0.5000 0.1071 ( 5944 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8660 -31.8660 -31.8655 -31.8655 -7.1563 -7.1560 -6.7157 -6.7156 -6.3508 -6.3493 -6.3433 -6.3425 0.7643 0.7695 1.0553 1.0574 1.3307 1.3346 1.6858 1.6914 2.0466 2.0553 2.0627 2.0676 2.1165 2.1176 2.3226 2.3266 2.4525 2.4554 2.4818 2.4839 3.0926 3.0975 3.0980 3.1098 3.5581 3.5584 3.7468 3.7734 3.8511 3.8694 3.9095 4.0103 4.0307 4.0323 4.0696 4.1230 4.2383 4.2568 4.2953 4.3193 4.4618 4.4891 4.5468 4.5667 4.9463 4.9756 5.0188 5.0935 5.1463 5.1888 5.6938 5.7220 5.7748 5.7806 7.4464 7.4582 7.6402 7.6461 7.9593 7.9701 8.1112 8.1114 8.1674 8.1728 10.9641 10.9650 11.4982 11.5125 k = 0.0952 0.5000 0.0952 ( 5948 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8660 -31.8660 -31.8655 -31.8655 -7.1650 -7.1647 -6.7193 -6.7192 -6.3438 -6.3426 -6.3378 -6.3371 0.7570 0.7617 1.0562 1.0581 1.3360 1.3396 1.6833 1.6883 2.0537 2.0575 2.0679 2.0684 2.1143 2.1150 2.3157 2.3193 2.4594 2.4614 2.4883 2.4902 3.1126 3.1150 3.1178 3.1280 3.5502 3.5507 3.7448 3.7703 3.8513 3.8718 3.9039 4.0118 4.0325 4.0360 4.0657 4.1195 4.2208 4.2480 4.2839 4.3026 4.4767 4.4975 4.5605 4.5732 4.9618 4.9893 5.0252 5.0847 5.1143 5.1489 5.7011 5.7298 5.7759 5.7800 7.4312 7.4419 7.6393 7.6448 7.9503 7.9599 8.1118 8.1124 8.1600 8.1649 10.9612 10.9625 11.4406 11.4543 k = 0.0833 0.5000 0.0833 ( 5956 PWs) bands (ev): -58.2584 -58.2584 -32.6904 -32.6904 -31.8660 -31.8660 -31.8655 -31.8655 -7.1727 -7.1724 -6.7225 -6.7225 -6.3376 -6.3365 -6.3329 -6.3323 0.7502 0.7544 1.0568 1.0585 1.3403 1.3436 1.6809 1.6852 2.0592 2.0608 2.0685 2.0748 2.1125 2.1128 2.3095 2.3127 2.4655 2.4669 2.4941 2.4957 3.1310 3.1329 3.1366 3.1455 3.5418 3.5424 3.7440 3.7674 3.8519 3.8752 3.8988 4.0124 4.0346 4.0379 4.0624 4.1145 4.2039 4.2410 4.2716 4.2868 4.4926 4.5076 4.5737 4.5793 4.9755 5.0001 5.0302 5.0577 5.1015 5.1116 5.7103 5.7388 5.7775 5.7797 7.4176 7.4272 7.6387 7.6435 7.9413 7.9496 8.1140 8.1148 8.1536 8.1578 10.9562 10.9577 11.3894 11.4023 k = 0.0714 0.5000 0.0714 ( 5950 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8660 -31.8660 -31.8655 -31.8655 -7.1794 -7.1792 -6.7254 -6.7254 -6.3321 -6.3311 -6.3286 -6.3281 0.7440 0.7477 1.0571 1.0586 1.3437 1.3467 1.6786 1.6822 2.0609 2.0668 2.0700 2.0810 2.1110 2.1112 2.3040 2.3068 2.4709 2.4717 2.4991 2.5006 3.1478 3.1504 3.1540 3.1618 3.5334 3.5337 3.7442 3.7648 3.8532 3.8797 3.8943 4.0104 4.0371 4.0375 4.0620 4.1082 4.1884 4.2360 4.2568 4.2744 4.5091 4.5187 4.5846 4.5861 4.9865 5.0076 5.0270 5.0334 5.0786 5.0952 5.7208 5.7483 5.7793 5.7797 7.4057 7.4141 7.6382 7.6425 7.9326 7.9397 8.1172 8.1181 8.1481 8.1516 10.9494 10.9510 11.3454 11.3570 k = 0.0595 0.5000 0.0595 ( 5934 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8660 -31.8660 -31.8655 -31.8655 -7.1852 -7.1849 -6.7278 -6.7278 -6.3274 -6.3266 -6.3248 -6.3244 0.7387 0.7417 1.0573 1.0585 1.3465 1.3490 1.6765 1.6796 2.0624 2.0685 2.0752 2.0864 2.1098 2.1105 2.2992 2.3017 2.4755 2.4759 2.5033 2.5047 3.1634 3.1664 3.1698 3.1763 3.5249 3.5250 3.7453 3.7625 3.8553 3.8854 3.8902 4.0038 4.0373 4.0401 4.0643 4.1008 4.1749 4.2329 4.2399 4.2651 4.5260 4.5303 4.5890 4.5970 4.9856 5.0088 5.0090 5.0334 5.0552 5.0891 5.7315 5.7572 5.7801 5.7813 7.3956 7.4026 7.6379 7.6415 7.9248 7.9306 8.1209 8.1216 8.1435 8.1463 10.9413 10.9428 11.3089 11.3190 k = 0.0476 0.5000 0.0476 ( 5938 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8660 -31.8660 -31.8655 -31.8655 -7.1899 -7.1897 -6.7299 -6.7299 -6.3235 -6.3228 -6.3217 -6.3214 0.7342 0.7366 1.0573 1.0583 1.3486 1.3507 1.6748 1.6772 2.0639 2.0690 2.0807 2.0904 2.1095 2.1102 2.2951 2.2973 2.4793 2.4793 2.5068 2.5080 3.1776 3.1804 3.1837 3.1886 3.5165 3.5170 3.7468 3.7605 3.8580 3.8865 3.8923 3.9926 4.0393 4.0437 4.0672 4.0929 4.1642 4.2227 4.2314 4.2576 4.5418 4.5427 4.5921 4.6057 4.9655 4.9961 5.0132 5.0313 5.0487 5.0827 5.7418 5.7645 5.7812 5.7835 7.3874 7.3930 7.6377 7.6407 7.9180 7.9227 8.1245 8.1248 8.1400 8.1418 10.9327 10.9340 11.2800 11.2884 k = 0.0357 0.5000 0.0357 ( 5922 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8660 -31.8660 -31.8655 -31.8655 -7.1935 -7.1934 -6.7315 -6.7315 -6.3204 -6.3199 -6.3193 -6.3190 0.7307 0.7325 1.0573 1.0581 1.3502 1.3518 1.6734 1.6752 2.0653 2.0691 2.0853 2.0928 2.1101 2.1106 2.2920 2.2937 2.4821 2.4822 2.5096 2.5105 3.1898 3.1920 3.1951 3.1982 3.5091 3.5099 3.7486 3.7586 3.8613 3.8830 3.9006 3.9789 4.0431 4.0478 4.0692 4.0846 4.1574 4.2062 4.2315 4.2514 4.5528 4.5584 4.5940 4.6115 4.9469 4.9752 5.0200 5.0322 5.0494 5.0761 5.7507 5.7688 5.7835 5.7858 7.3810 7.3853 7.6377 7.6399 7.9126 7.9161 8.1274 8.1277 8.1375 8.1383 10.9246 10.9256 11.2586 11.2650 k = 0.0238 0.5000 0.0238 ( 5926 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8660 -31.8660 -31.8655 -31.8655 -7.1962 -7.1961 -6.7326 -6.7326 -6.3182 -6.3178 -6.3175 -6.3173 0.7282 0.7294 1.0573 1.0578 1.3514 1.3525 1.6725 1.6737 2.0664 2.0690 2.0886 2.0936 2.1111 2.1113 2.2897 2.2909 2.4841 2.4843 2.5116 2.5122 3.1995 3.2009 3.2035 3.2050 3.5034 3.5041 3.7504 3.7569 3.8649 3.8795 3.9106 3.9641 4.0482 4.0524 4.0691 4.0765 4.1554 4.1908 4.2326 4.2461 4.5627 4.5714 4.5954 4.6135 4.9343 4.9556 5.0258 5.0335 5.0516 5.0696 5.7580 5.7701 5.7866 5.7880 7.3767 7.3796 7.6378 7.6393 7.9088 7.9112 8.1291 8.1301 8.1359 8.1361 10.9179 10.9186 11.2441 11.2485 k = 0.0119 0.5000 0.0119 ( 5926 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8660 -31.8660 -31.8655 -31.8655 -7.1977 -7.1977 -6.7333 -6.7333 -6.3169 -6.3167 -6.3163 -6.3163 0.7268 0.7274 1.0574 1.0576 1.3522 1.3527 1.6721 1.6727 2.0674 2.0687 2.0909 2.0933 2.1121 2.1121 2.2885 2.2891 2.4854 2.4855 2.5129 2.5132 3.2059 3.2068 3.2083 3.2086 3.4998 3.5003 3.7521 3.7553 3.8686 3.8759 3.9221 3.9493 4.0541 4.0573 4.0668 4.0686 4.1586 4.1773 4.2348 4.2416 4.5710 4.5781 4.5991 4.6115 4.9291 4.9405 5.0301 5.0339 5.0547 5.0638 5.7634 5.7693 5.7891 5.7896 7.3743 7.3758 7.6380 7.6388 7.9067 7.9079 8.1300 8.1310 8.1349 8.1355 10.9135 10.9139 11.2361 11.2383 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -58.2584 -58.2584 -32.6903 -32.6903 -31.8660 -31.8660 -31.8655 -31.8655 -7.1982 -7.1982 -6.7335 -6.7335 -6.3164 -6.3164 -6.3159 -6.3159 0.7266 0.7266 1.0574 1.0574 1.3526 1.3526 1.6721 1.6721 2.0682 2.0682 2.0924 2.0924 2.1123 2.1123 2.2882 2.2882 2.4858 2.4858 2.5134 2.5134 3.2089 3.2089 3.2095 3.2095 3.4987 3.4987 3.7537 3.7537 3.8723 3.8723 3.9351 3.9351 4.0601 4.0601 4.0633 4.0633 4.1662 4.1662 4.2378 4.2378 4.5768 4.5768 4.6059 4.6059 4.9313 4.9313 5.0328 5.0328 5.0587 5.0587 5.7671 5.7671 5.7900 5.7900 7.3740 7.3740 7.6383 7.6383 7.9064 7.9064 8.1306 8.1306 8.1352 8.1352 10.9121 10.9121 11.2342 11.2342 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8663 -31.8663 -31.8657 -31.8657 -6.9066 -6.9066 -6.6261 -6.6261 -6.6191 -6.6191 -6.4200 -6.4200 1.0607 1.0607 1.0692 1.0692 1.0972 1.0972 1.9360 1.9360 2.0317 2.0317 2.0788 2.0788 2.0872 2.0872 2.1127 2.1127 2.4329 2.4329 2.5047 2.5047 2.7260 2.7260 2.7379 2.7379 3.6472 3.6472 3.8367 3.8367 3.8567 3.8567 3.9737 3.9737 4.0388 4.0388 4.1649 4.1649 4.1887 4.1887 4.5603 4.5603 4.5698 4.5698 4.6411 4.6411 4.7088 4.7088 4.7328 4.7328 5.4236 5.4236 5.4422 5.4422 6.1713 6.1713 7.5939 7.5939 7.7763 7.7763 7.9258 7.9258 8.3172 8.3172 8.3249 8.3249 11.5097 11.5097 11.5134 11.5134 k = 0.5000 0.5000 0.0167 ( 5936 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8663 -31.8663 -31.8657 -31.8657 -6.9062 -6.9062 -6.6260 -6.6260 -6.6191 -6.6191 -6.4203 -6.4203 1.0598 1.0598 1.0683 1.0683 1.0963 1.0963 1.9319 1.9319 2.0345 2.0345 2.0791 2.0791 2.0878 2.0878 2.1131 2.1131 2.4327 2.4327 2.5060 2.5060 2.7261 2.7261 2.7381 2.7381 3.6476 3.6476 3.8369 3.8369 3.8564 3.8564 3.9738 3.9738 4.0389 4.0389 4.1638 4.1638 4.1882 4.1882 4.5592 4.5592 4.5697 4.5697 4.6411 4.6411 4.7077 4.7077 4.7336 4.7336 5.4254 5.4254 5.4452 5.4452 6.1718 6.1718 7.5927 7.5927 7.7794 7.7794 7.9257 7.9257 8.3178 8.3178 8.3255 8.3255 11.5070 11.5070 11.5106 11.5106 k = 0.5000 0.5000 0.0333 ( 5960 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8663 -31.8663 -31.8657 -31.8657 -6.9051 -6.9051 -6.6259 -6.6259 -6.6189 -6.6189 -6.4211 -6.4211 1.0573 1.0573 1.0658 1.0658 1.0937 1.0937 1.9210 1.9210 2.0418 2.0418 2.0802 2.0802 2.0894 2.0894 2.1142 2.1142 2.4318 2.4318 2.5099 2.5099 2.7264 2.7264 2.7385 2.7385 3.6489 3.6489 3.8375 3.8375 3.8553 3.8553 3.9742 3.9742 4.0390 4.0390 4.1606 4.1606 4.1866 4.1866 4.5561 4.5561 4.5690 4.5690 4.6411 4.6411 4.7047 4.7047 4.7356 4.7356 5.4311 5.4311 5.4542 5.4542 6.1731 6.1731 7.5895 7.5895 7.7885 7.7885 7.9254 7.9254 8.3195 8.3195 8.3271 8.3271 11.4989 11.4989 11.5024 11.5024 k = 0.5000 0.5000 0.0500 ( 5948 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8663 -31.8663 -31.8657 -31.8657 -6.9032 -6.9032 -6.6257 -6.6257 -6.6187 -6.6187 -6.4225 -6.4225 1.0532 1.0532 1.0617 1.0617 1.0894 1.0894 1.9055 1.9055 2.0514 2.0514 2.0822 2.0822 2.0921 2.0921 2.1162 2.1162 2.4306 2.4306 2.5163 2.5163 2.7270 2.7270 2.7393 2.7393 3.6510 3.6510 3.8386 3.8386 3.8537 3.8537 3.9751 3.9751 4.0394 4.0394 4.1555 4.1555 4.1840 4.1840 4.5518 4.5518 4.5675 4.5675 4.6409 4.6409 4.7006 4.7006 4.7383 4.7383 5.4412 5.4412 5.4684 5.4684 6.1753 6.1753 7.5851 7.5851 7.8027 7.8027 7.9250 7.9250 8.3223 8.3223 8.3298 8.3298 11.4854 11.4854 11.4888 11.4888 k = 0.5000 0.5000 0.0667 ( 5956 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8663 -31.8663 -31.8658 -31.8658 -6.9007 -6.9007 -6.6253 -6.6253 -6.6184 -6.6184 -6.4243 -6.4243 1.0476 1.0476 1.0560 1.0560 1.0835 1.0835 1.8872 1.8872 2.0615 2.0615 2.0850 2.0850 2.0958 2.0958 2.1189 2.1189 2.4289 2.4289 2.5249 2.5249 2.7277 2.7277 2.7404 2.7404 3.6539 3.6539 3.8402 3.8402 3.8514 3.8514 3.9761 3.9761 4.0399 4.0399 4.1488 4.1488 4.1806 4.1806 4.5464 4.5464 4.5650 4.5650 4.6401 4.6401 4.6957 4.6957 4.7412 4.7412 5.4559 5.4559 5.4874 5.4874 6.1784 6.1784 7.5804 7.5804 7.8211 7.8211 7.9244 7.9244 8.3261 8.3261 8.3336 8.3336 11.4666 11.4666 11.4697 11.4697 k = 0.5000 0.5000 0.0833 ( 5956 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8663 -31.8663 -31.8658 -31.8658 -6.8974 -6.8974 -6.6249 -6.6249 -6.6181 -6.6181 -6.4267 -6.4267 1.0404 1.0404 1.0489 1.0489 1.0760 1.0760 1.8671 1.8671 2.0711 2.0711 2.0889 2.0889 2.1004 2.1004 2.1224 2.1224 2.4266 2.4266 2.5355 2.5355 2.7288 2.7288 2.7417 2.7417 3.6576 3.6576 3.8421 3.8421 3.8486 3.8486 3.9773 3.9773 4.0404 4.0404 4.1407 4.1407 4.1767 4.1767 4.5404 4.5404 4.5615 4.5615 4.6385 4.6385 4.6901 4.6901 4.7438 4.7438 5.4752 5.4752 5.5106 5.5106 6.1824 6.1824 7.5760 7.5760 7.8428 7.8428 7.9239 7.9239 8.3310 8.3310 8.3383 8.3383 11.4425 11.4425 11.4454 11.4454 k = 0.5000 0.5000 0.1000 ( 5960 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8663 -31.8663 -31.8658 -31.8658 -6.8933 -6.8933 -6.6244 -6.6244 -6.6176 -6.6176 -6.4297 -6.4297 1.0320 1.0320 1.0404 1.0404 1.0670 1.0670 1.8459 1.8459 2.0794 2.0794 2.0944 2.0944 2.1058 2.1058 2.1266 2.1266 2.4239 2.4239 2.5477 2.5477 2.7300 2.7300 2.7434 2.7434 3.6620 3.6620 3.8443 3.8443 3.8454 3.8454 3.9786 3.9786 4.0408 4.0408 4.1315 4.1315 4.1725 4.1725 4.5336 4.5336 4.5572 4.5572 4.6356 4.6356 4.6841 4.6841 4.7461 4.7461 5.4990 5.4990 5.5377 5.5377 6.1871 6.1871 7.5728 7.5728 7.8667 7.8667 7.9238 7.9238 8.3367 8.3367 8.3440 8.3440 11.4134 11.4134 11.4160 11.4160 k = 0.5000 0.5000 0.1167 ( 5956 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8663 -31.8663 -31.8658 -31.8658 -6.8886 -6.8886 -6.6238 -6.6238 -6.6171 -6.6171 -6.4331 -6.4331 1.0223 1.0223 1.0307 1.0307 1.0566 1.0566 1.8241 1.8241 2.0861 2.0861 2.1016 2.1016 2.1120 2.1120 2.1317 2.1317 2.4207 2.4207 2.5612 2.5612 2.7314 2.7314 2.7453 2.7453 3.6671 3.6671 3.8417 3.8417 3.8471 3.8471 3.9799 3.9799 4.0412 4.0412 4.1216 4.1216 4.1685 4.1685 4.5264 4.5264 4.5522 4.5522 4.6315 4.6315 4.6776 4.6776 4.7477 4.7477 5.5269 5.5269 5.5683 5.5683 6.1925 6.1925 7.5710 7.5710 7.8905 7.8905 7.9258 7.9258 8.3433 8.3433 8.3504 8.3504 11.3795 11.3795 11.3818 11.3818 k = 0.5000 0.5000 0.1333 ( 5956 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8663 -31.8663 -31.8658 -31.8658 -6.8833 -6.8833 -6.6232 -6.6232 -6.6166 -6.6166 -6.4371 -6.4371 1.0116 1.0116 1.0199 1.0199 1.0451 1.0451 1.8018 1.8018 2.0916 2.0916 2.1100 2.1100 2.1188 2.1188 2.1374 2.1374 2.4170 2.4170 2.5757 2.5757 2.7330 2.7330 2.7474 2.7474 3.6728 3.6728 3.8377 3.8377 3.8501 3.8501 3.9813 3.9813 4.0412 4.0412 4.1111 4.1111 4.1651 4.1651 4.5187 4.5187 4.5465 4.5465 4.6258 4.6258 4.6708 4.6708 4.7486 4.7486 5.5588 5.5588 5.6021 5.6021 6.1986 6.1986 7.5710 7.5710 7.9066 7.9066 7.9374 7.9374 8.3507 8.3507 8.3576 8.3576 11.3412 11.3412 11.3431 11.3431 k = 0.5000 0.5000 0.1500 ( 5964 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8663 -31.8663 -31.8658 -31.8658 -6.8772 -6.8772 -6.6225 -6.6225 -6.6159 -6.6159 -6.4416 -6.4416 0.9999 0.9999 1.0082 1.0082 1.0324 1.0324 1.7795 1.7795 2.0966 2.0966 2.1187 2.1187 2.1260 2.1260 2.1440 2.1440 2.4130 2.4130 2.5907 2.5907 2.7348 2.7348 2.7498 2.7498 3.6790 3.6790 3.8335 3.8335 3.8534 3.8534 3.9824 3.9824 4.0409 4.0409 4.1003 4.1003 4.1627 4.1627 4.5106 4.5106 4.5404 4.5404 4.6186 4.6186 4.6637 4.6637 4.7485 4.7485 5.5942 5.5942 5.6388 5.6388 6.2053 6.2053 7.5731 7.5731 7.9103 7.9103 7.9627 7.9627 8.3586 8.3586 8.3653 8.3653 11.2988 11.2988 11.3004 11.3004 k = 0.5000 0.5000 0.1667 ( 5948 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8663 -31.8663 -31.8659 -31.8659 -6.8705 -6.8705 -6.6217 -6.6217 -6.6153 -6.6153 -6.4466 -6.4466 0.9875 0.9875 0.9957 0.9957 1.0188 1.0188 1.7571 1.7571 2.1017 2.1017 2.1276 2.1276 2.1336 2.1336 2.1512 2.1512 2.4085 2.4085 2.6061 2.6061 2.7367 2.7367 2.7523 2.7523 3.6855 3.6855 3.8293 3.8293 3.8569 3.8569 3.9835 3.9835 4.0402 4.0402 4.0896 4.0896 4.1616 4.1616 4.5020 4.5020 4.5341 4.5341 4.6101 4.6101 4.6564 4.6564 4.7474 4.7474 5.6326 5.6326 5.6779 5.6779 6.2126 6.2126 7.5773 7.5773 7.9100 7.9100 7.9933 7.9933 8.3670 8.3670 8.3735 8.3735 11.2529 11.2529 11.2542 11.2542 k = 0.5000 0.5000 0.1833 ( 5956 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8663 -31.8663 -31.8659 -31.8659 -6.8633 -6.8633 -6.6209 -6.6209 -6.6146 -6.6146 -6.4521 -6.4521 0.9745 0.9745 0.9826 0.9826 1.0045 1.0045 1.7350 1.7350 2.1068 2.1068 2.1364 2.1364 2.1414 2.1414 2.1590 2.1590 2.4037 2.4037 2.6214 2.6214 2.7387 2.7387 2.7550 2.7550 3.6922 3.6922 3.8252 3.8252 3.8607 3.8607 3.9844 3.9844 4.0389 4.0389 4.0790 4.0790 4.1619 4.1619 4.4930 4.4930 4.5274 4.5274 4.6003 4.6003 4.6487 4.6487 4.7450 4.7450 5.6736 5.6736 5.7190 5.7190 6.2203 6.2203 7.5837 7.5837 7.9084 7.9084 8.0258 8.0258 8.3757 8.3757 8.3821 8.3821 11.2039 11.2039 11.2052 11.2052 k = 0.5000 0.5000 0.2000 ( 5956 PWs) bands (ev): -58.2584 -58.2584 -32.6906 -32.6906 -31.8663 -31.8663 -31.8659 -31.8659 -6.8554 -6.8554 -6.6200 -6.6200 -6.6138 -6.6138 -6.4581 -6.4581 0.9611 0.9611 0.9691 0.9691 0.9896 0.9896 1.7133 1.7133 2.1122 2.1122 2.1452 2.1452 2.1492 2.1492 2.1673 2.1673 2.3985 2.3985 2.6366 2.6366 2.7408 2.7408 2.7579 2.7579 3.6988 3.6988 3.8215 3.8215 3.8646 3.8646 3.9850 3.9850 4.0370 4.0370 4.0690 4.0690 4.1639 4.1639 4.4836 4.4836 4.5206 4.5206 4.5894 4.5894 4.6407 4.6407 4.7413 4.7413 5.7168 5.7168 5.7619 5.7619 6.2284 6.2284 7.5924 7.5924 7.9065 7.9065 8.0594 8.0594 8.3847 8.3847 8.3908 8.3908 11.1525 11.1525 11.1540 11.1540 k = 0.5000 0.5000 0.2167 ( 5960 PWs) bands (ev): -58.2584 -58.2584 -32.6907 -32.6907 -31.8663 -31.8663 -31.8659 -31.8659 -6.8470 -6.8470 -6.6191 -6.6191 -6.6130 -6.6130 -6.4646 -6.4646 0.9474 0.9474 0.9553 0.9553 0.9744 0.9744 1.6921 1.6921 2.1177 2.1177 2.1540 2.1540 2.1571 2.1571 2.1760 2.1760 2.3929 2.3929 2.6513 2.6513 2.7430 2.7430 2.7608 2.7608 3.7051 3.7051 3.8184 3.8184 3.8686 3.8686 3.9852 3.9852 4.0344 4.0344 4.0599 4.0599 4.1674 4.1674 4.4738 4.4738 4.5139 4.5139 4.5775 4.5775 4.6325 4.6325 4.7362 4.7362 5.7616 5.7616 5.8060 5.8060 6.2367 6.2367 7.6033 7.6033 7.9042 7.9042 8.0937 8.0937 8.3937 8.3937 8.3996 8.3996 11.0994 11.0994 11.1012 11.1012 k = 0.5000 0.5000 0.2333 ( 5952 PWs) bands (ev): -58.2584 -58.2584 -32.6907 -32.6907 -31.8663 -31.8663 -31.8660 -31.8660 -6.8381 -6.8381 -6.6182 -6.6182 -6.6122 -6.6122 -6.4716 -6.4716 0.9336 0.9336 0.9414 0.9414 0.9589 0.9589 1.6714 1.6714 2.1235 2.1235 2.1627 2.1627 2.1650 2.1650 2.1850 2.1850 2.3870 2.3870 2.6654 2.6654 2.7452 2.7452 2.7639 2.7639 3.7107 3.7107 3.8164 3.8164 3.8726 3.8726 3.9849 3.9849 4.0311 4.0311 4.0524 4.0524 4.1725 4.1725 4.4639 4.4639 4.5073 4.5073 4.5651 4.5651 4.6240 4.6240 4.7297 4.7297 5.8076 5.8076 5.8511 5.8511 6.2453 6.2453 7.6163 7.6163 7.9018 7.9018 8.1282 8.1282 8.4026 8.4026 8.4083 8.4083 11.0453 11.0453 11.0474 11.0474 k = 0.5000 0.5000 0.2500 ( 5952 PWs) bands (ev): -58.2584 -58.2584 -32.6907 -32.6907 -31.8663 -31.8663 -31.8660 -31.8660 -6.8287 -6.8287 -6.6172 -6.6172 -6.6114 -6.6114 -6.4790 -6.4790 0.9198 0.9198 0.9275 0.9275 0.9434 0.9434 1.6515 1.6515 2.1295 2.1295 2.1713 2.1713 2.1728 2.1728 2.1942 2.1942 2.3808 2.3808 2.6788 2.6788 2.7475 2.7475 2.7670 2.7670 3.7153 3.7153 3.8156 3.8156 3.8767 3.8767 3.9839 3.9839 4.0270 4.0270 4.0466 4.0466 4.1790 4.1790 4.4537 4.4537 4.5008 4.5008 4.5521 4.5521 4.6154 4.6154 4.7217 4.7217 5.8543 5.8543 5.8966 5.8966 6.2540 6.2540 7.6313 7.6313 7.8993 7.8993 8.1626 8.1626 8.4113 8.4113 8.4168 8.4168 10.9908 10.9908 10.9933 10.9933 k = 0.5000 0.5000 0.2667 ( 5948 PWs) bands (ev): -58.2584 -58.2584 -32.6907 -32.6907 -31.8663 -31.8663 -31.8660 -31.8660 -6.8188 -6.8188 -6.6163 -6.6163 -6.6107 -6.6107 -6.4869 -6.4869 0.9062 0.9062 0.9138 0.9138 0.9281 0.9281 1.6323 1.6323 2.1357 2.1357 2.1798 2.1798 2.1806 2.1806 2.2033 2.2033 2.3743 2.3743 2.6913 2.6913 2.7498 2.7498 2.7701 2.7701 3.7186 3.7186 3.8163 3.8163 3.8807 3.8807 3.9820 3.9820 4.0228 4.0228 4.0424 4.0424 4.1869 4.1869 4.4435 4.4435 4.4946 4.4946 4.5388 4.5388 4.6066 4.6066 4.7121 4.7121 5.9013 5.9013 5.9422 5.9422 6.2627 6.2627 7.6482 7.6482 7.8967 7.8967 8.1967 8.1967 8.4196 8.4196 8.4250 8.4250 10.9367 10.9367 10.9396 10.9396 k = 0.5000 0.5000 0.2833 ( 5940 PWs) bands (ev): -58.2584 -58.2584 -32.6907 -32.6907 -31.8663 -31.8663 -31.8661 -31.8661 -6.8086 -6.8086 -6.6154 -6.6154 -6.6099 -6.6099 -6.4952 -6.4952 0.8928 0.8928 0.9004 0.9004 0.9131 0.9131 1.6141 1.6141 2.1422 2.1422 2.1876 2.1876 2.1887 2.1887 2.2123 2.2123 2.3677 2.3677 2.7029 2.7029 2.7521 2.7521 2.7733 2.7733 3.7205 3.7205 3.8188 3.8188 3.8845 3.8845 3.9789 3.9789 4.0192 4.0192 4.0394 4.0394 4.1961 4.1961 4.4334 4.4334 4.4887 4.4887 4.5254 4.5254 4.5977 4.5977 4.7011 4.7011 5.9480 5.9480 5.9875 5.9875 6.2714 6.2714 7.6667 7.6667 7.8941 7.8941 8.2300 8.2300 8.4275 8.4275 8.4327 8.4327 10.8834 10.8834 10.8867 10.8867 k = 0.5000 0.5000 0.3000 ( 5952 PWs) bands (ev): -58.2584 -58.2584 -32.6907 -32.6907 -31.8663 -31.8663 -31.8661 -31.8661 -6.7980 -6.7980 -6.6144 -6.6144 -6.6091 -6.6091 -6.5039 -6.5039 0.8799 0.8799 0.8875 0.8875 0.8986 0.8986 1.5968 1.5968 2.1488 2.1488 2.1947 2.1947 2.1971 2.1971 2.2211 2.2211 2.3607 2.3607 2.7135 2.7135 2.7543 2.7543 2.7764 2.7764 3.7210 3.7210 3.8229 3.8229 3.8882 3.8882 3.9748 3.9748 4.0166 4.0166 4.0372 4.0372 4.2064 4.2064 4.4235 4.4235 4.4831 4.4831 4.5121 4.5121 4.5887 4.5887 4.6887 4.6887 5.9939 5.9939 6.0318 6.0318 6.2799 6.2799 7.6865 7.6865 7.8915 7.8915 8.2623 8.2623 8.4348 8.4348 8.4398 8.4398 10.8317 10.8317 10.8353 10.8353 k = 0.5000 0.5000 0.3167 ( 5960 PWs) bands (ev): -58.2584 -58.2584 -32.6907 -32.6907 -31.8663 -31.8663 -31.8661 -31.8661 -6.7871 -6.7871 -6.6136 -6.6136 -6.6084 -6.6084 -6.5129 -6.5129 0.8676 0.8676 0.8751 0.8751 0.8847 0.8847 1.5805 1.5805 2.1556 2.1556 2.2014 2.2014 2.2053 2.2053 2.2296 2.2296 2.3536 2.3536 2.7231 2.7231 2.7564 2.7564 2.7795 2.7795 3.7202 3.7202 3.8284 3.8284 3.8916 3.8916 3.9697 3.9697 4.0151 4.0151 4.0354 4.0354 4.2179 4.2179 4.4138 4.4138 4.4779 4.4779 4.4991 4.4991 4.5799 4.5799 4.6750 4.6750 6.0387 6.0387 6.0750 6.0750 6.2883 6.2883 7.7072 7.7072 7.8889 7.8889 8.2932 8.2932 8.4414 8.4414 8.4462 8.4462 10.7820 10.7820 10.7860 10.7860 k = 0.5000 0.5000 0.3333 ( 5972 PWs) bands (ev): -58.2584 -58.2584 -32.6907 -32.6907 -31.8663 -31.8663 -31.8661 -31.8661 -6.7759 -6.7759 -6.6127 -6.6127 -6.6077 -6.6077 -6.5223 -6.5223 0.8559 0.8559 0.8635 0.8635 0.8716 0.8716 1.5654 1.5654 2.1625 2.1625 2.2076 2.2076 2.2132 2.2132 2.2376 2.2376 2.3464 2.3464 2.7317 2.7317 2.7585 2.7585 2.7825 2.7825 3.7186 3.7186 3.8349 3.8349 3.8947 3.8947 3.9642 3.9642 4.0145 4.0145 4.0340 4.0340 4.2303 4.2303 4.4047 4.4047 4.4732 4.4732 4.4865 4.4865 4.5712 4.5712 4.6601 4.6601 6.0817 6.0817 6.1163 6.1163 6.2963 6.2963 7.7286 7.7286 7.8864 7.8864 8.3224 8.3224 8.4473 8.4473 8.4520 8.4520 10.7349 10.7349 10.7392 10.7392 k = 0.5000 0.5000 0.3500 ( 5956 PWs) bands (ev): -58.2584 -58.2584 -32.6908 -32.6908 -31.8663 -31.8663 -31.8662 -31.8662 -6.7646 -6.7646 -6.6119 -6.6119 -6.6070 -6.6070 -6.5320 -6.5320 0.8449 0.8449 0.8526 0.8526 0.8594 0.8594 1.5515 1.5515 2.1696 2.1696 2.2133 2.2133 2.2208 2.2208 2.2451 2.2451 2.3392 2.3392 2.7392 2.7392 2.7605 2.7605 2.7854 2.7854 3.7165 3.7165 3.8421 3.8421 3.8975 3.8975 3.9584 3.9584 4.0147 4.0147 4.0328 4.0328 4.2437 4.2437 4.3961 4.3961 4.4688 4.4688 4.4746 4.4746 4.5629 4.5629 4.6441 4.6441 6.1227 6.1227 6.1554 6.1554 6.3041 6.3041 7.7501 7.7501 7.8841 7.8841 8.3495 8.3495 8.4524 8.4524 8.4570 8.4570 10.6908 10.6908 10.6954 10.6954 k = 0.5000 0.5000 0.3667 ( 5948 PWs) bands (ev): -58.2584 -58.2584 -32.6908 -32.6908 -31.8663 -31.8663 -31.8662 -31.8662 -6.7531 -6.7531 -6.6112 -6.6112 -6.6064 -6.6064 -6.5419 -6.5419 0.8348 0.8348 0.8426 0.8426 0.8483 0.8483 1.5389 1.5389 2.1768 2.1768 2.2184 2.2184 2.2280 2.2280 2.2520 2.2520 2.3321 2.3321 2.7458 2.7458 2.7623 2.7623 2.7882 2.7882 3.7142 3.7142 3.8498 3.8498 3.9001 3.9001 3.9526 3.9526 4.0153 4.0153 4.0317 4.0317 4.2579 4.2579 4.3883 4.3883 4.4630 4.4630 4.4655 4.4655 4.5548 4.5548 4.6274 4.6274 6.1609 6.1609 6.1917 6.1917 6.3116 6.3116 7.7714 7.7714 7.8819 7.8819 8.3744 8.3744 8.4568 8.4568 8.4612 8.4612 10.6502 10.6502 10.6551 10.6551 k = 0.5000 0.5000 0.3833 ( 5940 PWs) bands (ev): -58.2584 -58.2584 -32.6908 -32.6908 -31.8663 -31.8663 -31.8662 -31.8662 -6.7417 -6.7417 -6.6105 -6.6105 -6.6058 -6.6058 -6.5519 -6.5519 0.8256 0.8256 0.8337 0.8337 0.8383 0.8383 1.5276 1.5276 2.1839 2.1839 2.2228 2.2228 2.2348 2.2348 2.2582 2.2582 2.3249 2.3249 2.7515 2.7515 2.7639 2.7639 2.7908 2.7908 3.7117 3.7117 3.8576 3.8576 3.9023 3.9023 3.9469 3.9469 4.0162 4.0162 4.0307 4.0307 4.2726 4.2726 4.3812 4.3812 4.4531 4.4531 4.4618 4.4618 4.5473 4.5473 4.6101 4.6101 6.1960 6.1960 6.2246 6.2246 6.3189 6.3189 7.7920 7.7920 7.8798 7.8798 8.3967 8.3967 8.4604 8.4604 8.4647 8.4647 10.6135 10.6135 10.6185 10.6185 k = 0.5000 0.5000 0.4000 ( 5948 PWs) bands (ev): -58.2584 -58.2584 -32.6908 -32.6908 -31.8663 -31.8663 -31.8662 -31.8662 -6.7303 -6.7303 -6.6100 -6.6100 -6.6053 -6.6053 -6.5620 -6.5620 0.8175 0.8175 0.8257 0.8257 0.8294 0.8294 1.5177 1.5177 2.1910 2.1910 2.2264 2.2264 2.2410 2.2410 2.2635 2.2635 2.3180 2.3180 2.7562 2.7562 2.7654 2.7654 2.7932 2.7932 3.7094 3.7094 3.8653 3.8653 3.9041 3.9041 3.9412 3.9412 4.0172 4.0172 4.0298 4.0298 4.2877 4.2877 4.3749 4.3749 4.4441 4.4441 4.4587 4.4587 4.5403 4.5403 4.5926 4.5926 6.2276 6.2276 6.2534 6.2534 6.3260 6.3260 7.8112 7.8112 7.8780 7.8780 8.4163 8.4163 8.4634 8.4634 8.4675 8.4675 10.5810 10.5810 10.5860 10.5860 k = 0.5000 0.5000 0.4167 ( 5940 PWs) bands (ev): -58.2584 -58.2584 -32.6908 -32.6908 -31.8663 -31.8663 -31.8662 -31.8662 -6.7192 -6.7192 -6.6095 -6.6095 -6.6049 -6.6049 -6.5720 -6.5720 0.8104 0.8104 0.8190 0.8190 0.8218 0.8218 1.5092 1.5092 2.1981 2.1981 2.2292 2.2292 2.2468 2.2468 2.2678 2.2678 2.3116 2.3116 2.7601 2.7601 2.7667 2.7667 2.7953 2.7953 3.7072 3.7072 3.8730 3.8730 3.9057 3.9057 3.9356 3.9356 4.0184 4.0184 4.0288 4.0288 4.3028 4.3028 4.3696 4.3696 4.4367 4.4367 4.4559 4.4559 4.5341 4.5341 4.5753 4.5753 6.2551 6.2551 6.2774 6.2774 6.3334 6.3334 7.8286 7.8286 7.8764 7.8764 8.4330 8.4330 8.4656 8.4656 8.4697 8.4697 10.5530 10.5530 10.5577 10.5577 k = 0.5000 0.5000 0.4333 ( 5940 PWs) bands (ev): -58.2584 -58.2584 -32.6908 -32.6908 -31.8663 -31.8663 -31.8662 -31.8662 -6.7085 -6.7085 -6.6091 -6.6091 -6.6046 -6.6046 -6.5817 -6.5817 0.8045 0.8045 0.8134 0.8134 0.8155 0.8155 1.5023 1.5023 2.2048 2.2048 2.2310 2.2310 2.2520 2.2520 2.2710 2.2710 2.3057 2.3057 2.7631 2.7631 2.7677 2.7677 2.7971 2.7971 3.7054 3.7054 3.8804 3.8804 3.9070 3.9070 3.9301 3.9301 4.0195 4.0195 4.0279 4.0279 4.3173 4.3173 4.3652 4.3652 4.4310 4.4310 4.4532 4.4532 4.5287 4.5287 4.5589 4.5589 6.2783 6.2783 6.2957 6.2957 6.3413 6.3413 7.8437 7.8437 7.8751 7.8751 8.4466 8.4466 8.4673 8.4673 8.4713 8.4713 10.5297 10.5297 10.5339 10.5339 k = 0.5000 0.5000 0.4500 ( 5940 PWs) bands (ev): -58.2584 -58.2584 -32.6908 -32.6908 -31.8663 -31.8663 -31.8663 -31.8663 -6.6988 -6.6988 -6.6089 -6.6089 -6.6043 -6.6043 -6.5905 -6.5905 0.7999 0.7999 0.8090 0.8090 0.8106 0.8106 1.4968 1.4968 2.2113 2.2113 2.2317 2.2317 2.2567 2.2567 2.2728 2.2728 2.3009 2.3009 2.7655 2.7655 2.7685 2.7685 2.7985 2.7985 3.7039 3.7039 3.8876 3.8876 3.9079 3.9079 3.9246 3.9246 4.0207 4.0207 4.0270 4.0270 4.3305 4.3305 4.3617 4.3617 4.4274 4.4274 4.4503 4.4503 4.5243 4.5243 4.5441 4.5441 6.2966 6.2966 6.3082 6.3082 6.3498 6.3498 7.8560 7.8560 7.8740 7.8740 8.4571 8.4571 8.4685 8.4685 8.4726 8.4726 10.5115 10.5115 10.5145 10.5145 k = 0.5000 0.5000 0.4667 ( 5920 PWs) bands (ev): -58.2583 -58.2583 -32.6908 -32.6908 -31.8663 -31.8663 -31.8663 -31.8663 -6.6906 -6.6906 -6.6090 -6.6090 -6.6041 -6.6041 -6.5978 -6.5978 0.7965 0.7965 0.8060 0.8060 0.8070 0.8070 1.4929 1.4929 2.2172 2.2172 2.2313 2.2313 2.2610 2.2610 2.2728 2.2728 2.2976 2.2976 2.7673 2.7673 2.7691 2.7691 2.7995 2.7995 3.7029 3.7029 3.8945 3.8945 3.9087 3.9087 3.9190 3.9190 4.0219 4.0219 4.0261 4.0261 4.3415 4.3415 4.3590 4.3590 4.4261 4.4261 4.4471 4.4471 4.5212 4.5212 4.5320 4.5320 6.3100 6.3100 6.3157 6.3157 6.3574 6.3574 7.8652 7.8652 7.8733 7.8733 8.4644 8.4644 8.4694 8.4694 8.4736 8.4736 10.4983 10.4983 10.5000 10.5000 k = 0.5000 0.5000 0.4833 ( 5904 PWs) bands (ev): -58.2583 -58.2583 -32.6908 -32.6908 -31.8663 -31.8663 -31.8663 -31.8663 -6.6849 -6.6849 -6.6096 -6.6096 -6.6039 -6.6039 -6.6025 -6.6025 0.7945 0.7945 0.8042 0.8042 0.8047 0.8047 1.4905 1.4905 2.2224 2.2224 2.2295 2.2295 2.2650 2.2650 2.2712 2.2712 2.2958 2.2958 2.7684 2.7684 2.7693 2.7693 2.8002 2.8002 3.7023 3.7023 3.9011 3.9011 3.9091 3.9091 3.9133 3.9133 4.0230 4.0230 4.0251 4.0251 4.3493 4.3493 4.3567 4.3567 4.4268 4.4268 4.4439 4.4439 4.5195 4.5195 4.5237 4.5237 6.3181 6.3181 6.3196 6.3196 6.3627 6.3627 7.8708 7.8708 7.8728 7.8728 8.4685 8.4685 8.4698 8.4698 8.4746 8.4746 10.4904 10.4904 10.4909 10.4909 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.2583 -58.2583 -32.6908 -32.6908 -31.8663 -31.8663 -31.8663 -31.8663 -6.6828 -6.6828 -6.6102 -6.6102 -6.6039 -6.6039 -6.6039 -6.6039 0.7938 0.7938 0.8038 0.8038 0.8038 0.8038 1.4897 1.4897 2.2265 2.2265 2.2265 2.2265 2.2684 2.2684 2.2684 2.2684 2.2953 2.2953 2.7691 2.7691 2.7691 2.7691 2.8004 2.8004 3.7021 3.7021 3.9073 3.9073 3.9073 3.9073 3.9093 3.9093 4.0241 4.0241 4.0241 4.0241 4.3540 4.3540 4.3540 4.3540 4.4277 4.4277 4.4422 4.4422 4.5199 4.5199 4.5199 4.5199 6.3208 6.3208 6.3208 6.3208 6.3646 6.3646 7.8727 7.8727 7.8727 7.8727 8.4698 8.4698 8.4698 8.4698 8.4750 8.4750 10.4878 10.4878 10.4878 10.4878 Writing output data file VCu3S4.save init_run : 4.96s CPU 13.37s WALL ( 1 calls) electrons : 1746.41s CPU 1763.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.47s CPU 1.53s WALL ( 1 calls) Called by electrons: c_bands : 1746.37s CPU 1762.81s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.61s WALL ( 1 calls) v_h : 0.02s CPU 0.03s WALL ( 1 calls) v_xc : 0.08s CPU 0.45s WALL ( 1 calls) newd : 1.62s CPU 1.71s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.22s WALL ( 231 calls) cegterg : 1686.10s CPU 1699.87s WALL ( 851 calls) Called by sum_band: Called by *egterg: h_psi : 535.79s CPU 547.61s WALL ( 16731 calls) s_psi : 103.57s CPU 104.09s WALL ( 16731 calls) g_psi : 1.26s CPU 1.28s WALL ( 15649 calls) cdiaghg : 795.81s CPU 793.48s WALL ( 15880 calls) cegterg:over : 139.85s CPU 135.03s WALL ( 15649 calls) cegterg:upda : 38.24s CPU 41.84s WALL ( 15649 calls) cegterg:last : 26.21s CPU 26.68s WALL ( 1775 calls) Called by h_psi: h_psi:vloc : 343.97s CPU 352.23s WALL ( 16731 calls) h_psi:vnl : 191.24s CPU 194.04s WALL ( 16731 calls) add_vuspsi : 77.04s CPU 83.01s WALL ( 16731 calls) General routines calbec : 114.11s CPU 110.89s WALL ( 16731 calls) fft : 0.61s CPU 1.38s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 298.78s CPU 304.05s WALL ( 1738776 calls) interpolate : 0.22s CPU 0.30s WALL ( 4 calls) davcio : 0.02s CPU 1.40s WALL ( 462 calls) Parallel routines fft_scatter : 203.47s CPU 200.58s WALL ( 1738799 calls) PWSCF : 30m17.75s CPU 32m16.90s WALL This run was terminated on: 9:17: 3 31Oct2015 =------------------------------------------------------------------------------= JOB DONE. 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