Program PWSCF v.5.1.1 starts on 31Oct2015 at 5:47: 6 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./VCu3S4.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 110 32 9 6063 977 149 Max 112 33 10 6067 993 154 Sum 5321 1581 457 291107 47257 7249 bravais-lattice index = 14 lattice parameter (alat) = 10.1648 a.u. unit-cell volume = 1050.2704 (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)= 10.164836 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: 291107 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 47257 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 252, 84) NL pseudopotentials 0.52 Mb ( 126, 272) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.05 Mb ( 6067) G-vector shells 0.01 Mb ( 1146) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.29 Mb ( 252, 336) Each subspace H/S matrix 1.72 Mb ( 336, 336) Each matrix 0.70 Mb ( 272, 2, 84) 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 51.0 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 61.3 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 71.7 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 82.1 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.2 secs Computing kpt #: 6 total cpu time spent up to now is 100.7 secs Computing kpt #: 7 total cpu time spent up to now is 109.6 secs Computing kpt #: 8 total cpu time spent up to now is 116.8 secs Computing kpt #: 9 total cpu time spent up to now is 122.5 secs Computing kpt #: 10 total cpu time spent up to now is 128.9 secs Computing kpt #: 11 total cpu time spent up to now is 134.3 secs Computing kpt #: 12 total cpu time spent up to now is 139.5 secs Computing kpt #: 13 total cpu time spent up to now is 144.8 secs Computing kpt #: 14 total cpu time spent up to now is 149.8 secs Computing kpt #: 15 total cpu time spent up to now is 155.0 secs Computing kpt #: 16 total cpu time spent up to now is 160.1 secs Computing kpt #: 17 total cpu time spent up to now is 165.2 secs Computing kpt #: 18 total cpu time spent up to now is 170.4 secs Computing kpt #: 19 total cpu time spent up to now is 175.6 secs Computing kpt #: 20 total cpu time spent up to now is 180.8 secs Computing kpt #: 21 total cpu time spent up to now is 185.9 secs Computing kpt #: 22 total cpu time spent up to now is 190.9 secs Computing kpt #: 23 total cpu time spent up to now is 196.2 secs Computing kpt #: 24 total cpu time spent up to now is 201.2 secs Computing kpt #: 25 total cpu time spent up to now is 206.3 secs Computing kpt #: 26 total cpu time spent up to now is 211.5 secs Computing kpt #: 27 total cpu time spent up to now is 216.6 secs Computing kpt #: 28 total cpu time spent up to now is 221.6 secs Computing kpt #: 29 total cpu time spent up to now is 226.6 secs Computing kpt #: 30 total cpu time spent up to now is 231.6 secs Computing kpt #: 31 total cpu time spent up to now is 236.6 secs Computing kpt #: 32 total cpu time spent up to now is 241.6 secs Computing kpt #: 33 total cpu time spent up to now is 246.8 secs Computing kpt #: 34 total cpu time spent up to now is 252.0 secs Computing kpt #: 35 total cpu time spent up to now is 257.2 secs Computing kpt #: 36 total cpu time spent up to now is 262.4 secs Computing kpt #: 37 total cpu time spent up to now is 267.7 secs Computing kpt #: 38 total cpu time spent up to now is 273.1 secs Computing kpt #: 39 total cpu time spent up to now is 278.5 secs Computing kpt #: 40 total cpu time spent up to now is 284.0 secs Computing kpt #: 41 total cpu time spent up to now is 289.4 secs Computing kpt #: 42 total cpu time spent up to now is 295.0 secs Computing kpt #: 43 total cpu time spent up to now is 301.0 secs Computing kpt #: 44 total cpu time spent up to now is 307.0 secs Computing kpt #: 45 total cpu time spent up to now is 313.5 secs Computing kpt #: 46 total cpu time spent up to now is 320.2 secs Computing kpt #: 47 total cpu time spent up to now is 327.9 secs Computing kpt #: 48 total cpu time spent up to now is 335.6 secs Computing kpt #: 49 total cpu time spent up to now is 343.4 secs Computing kpt #: 50 total cpu time spent up to now is 351.0 secs Computing kpt #: 51 total cpu time spent up to now is 357.5 secs Computing kpt #: 52 total cpu time spent up to now is 363.7 secs Computing kpt #: 53 total cpu time spent up to now is 369.6 secs Computing kpt #: 54 total cpu time spent up to now is 375.4 secs Computing kpt #: 55 total cpu time spent up to now is 381.1 secs Computing kpt #: 56 total cpu time spent up to now is 386.8 secs Computing kpt #: 57 total cpu time spent up to now is 392.6 secs Computing kpt #: 58 total cpu time spent up to now is 398.3 secs Computing kpt #: 59 total cpu time spent up to now is 404.4 secs Computing kpt #: 60 total cpu time spent up to now is 411.4 secs Computing kpt #: 61 total cpu time spent up to now is 417.0 secs Computing kpt #: 62 total cpu time spent up to now is 422.3 secs Computing kpt #: 63 total cpu time spent up to now is 427.3 secs Computing kpt #: 64 total cpu time spent up to now is 432.8 secs Computing kpt #: 65 total cpu time spent up to now is 438.5 secs Computing kpt #: 66 total cpu time spent up to now is 444.3 secs Computing kpt #: 67 total cpu time spent up to now is 450.0 secs Computing kpt #: 68 total cpu time spent up to now is 455.8 secs Computing kpt #: 69 total cpu time spent up to now is 461.5 secs Computing kpt #: 70 total cpu time spent up to now is 467.1 secs Computing kpt #: 71 total cpu time spent up to now is 473.3 secs Computing kpt #: 72 total cpu time spent up to now is 479.6 secs Computing kpt #: 73 total cpu time spent up to now is 486.1 secs Computing kpt #: 74 total cpu time spent up to now is 495.2 secs Computing kpt #: 75 total cpu time spent up to now is 506.4 secs Computing kpt #: 76 total cpu time spent up to now is 514.9 secs Computing kpt #: 77 total cpu time spent up to now is 522.6 secs Computing kpt #: 78 total cpu time spent up to now is 531.0 secs Computing kpt #: 79 total cpu time spent up to now is 539.1 secs Computing kpt #: 80 total cpu time spent up to now is 547.8 secs Computing kpt #: 81 total cpu time spent up to now is 556.0 secs Computing kpt #: 82 total cpu time spent up to now is 563.5 secs Computing kpt #: 83 total cpu time spent up to now is 571.0 secs Computing kpt #: 84 total cpu time spent up to now is 578.5 secs Computing kpt #: 85 total cpu time spent up to now is 586.0 secs Computing kpt #: 86 total cpu time spent up to now is 593.6 secs Computing kpt #: 87 total cpu time spent up to now is 602.3 secs Computing kpt #: 88 total cpu time spent up to now is 611.0 secs Computing kpt #: 89 total cpu time spent up to now is 620.0 secs Computing kpt #: 90 total cpu time spent up to now is 628.9 secs Computing kpt #: 91 total cpu time spent up to now is 637.9 secs Computing kpt #: 92 total cpu time spent up to now is 646.7 secs Computing kpt #: 93 total cpu time spent up to now is 655.5 secs Computing kpt #: 94 total cpu time spent up to now is 665.0 secs Computing kpt #: 95 total cpu time spent up to now is 674.4 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 685.4 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 696.3 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 708.7 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 719.7 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 730.6 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 741.4 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 752.2 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 762.9 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 773.6 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 783.8 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 794.0 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 804.3 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 814.8 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 825.4 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 835.8 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 846.5 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 857.1 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 867.8 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 878.5 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 889.1 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 899.7 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 910.4 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 921.1 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 931.8 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 942.5 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 953.3 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 964.1 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 974.8 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 985.6 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 996.4 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1007.7 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1018.4 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1029.3 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1040.1 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1050.9 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1061.7 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1072.5 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1083.4 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1094.3 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1105.2 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1116.1 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1127.1 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1138.1 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1148.5 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1159.4 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1170.4 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1181.4 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1192.5 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1203.4 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1214.5 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1225.5 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1236.6 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1247.4 secs Computing kpt #: 149 total cpu time spent up to now is 1258.0 secs Computing kpt #: 150 total cpu time spent up to now is 1268.4 secs Computing kpt #: 151 total cpu time spent up to now is 1276.3 secs Computing kpt #: 152 total cpu time spent up to now is 1284.1 secs Computing kpt #: 153 total cpu time spent up to now is 1291.0 secs Computing kpt #: 154 total cpu time spent up to now is 1297.9 secs Computing kpt #: 155 total cpu time spent up to now is 1305.0 secs Computing kpt #: 156 total cpu time spent up to now is 1311.7 secs Computing kpt #: 157 total cpu time spent up to now is 1320.2 secs Computing kpt #: 158 total cpu time spent up to now is 1329.9 secs Computing kpt #: 159 total cpu time spent up to now is 1336.7 secs Computing kpt #: 160 total cpu time spent up to now is 1343.4 secs Computing kpt #: 161 total cpu time spent up to now is 1350.2 secs Computing kpt #: 162 total cpu time spent up to now is 1356.8 secs Computing kpt #: 163 total cpu time spent up to now is 1363.4 secs Computing kpt #: 164 total cpu time spent up to now is 1369.8 secs Computing kpt #: 165 total cpu time spent up to now is 1375.1 secs Computing kpt #: 166 total cpu time spent up to now is 1380.5 secs Computing kpt #: 167 total cpu time spent up to now is 1386.4 secs Computing kpt #: 168 total cpu time spent up to now is 1391.9 secs Computing kpt #: 169 total cpu time spent up to now is 1397.2 secs Computing kpt #: 170 total cpu time spent up to now is 1402.4 secs Computing kpt #: 171 total cpu time spent up to now is 1407.7 secs Computing kpt #: 172 total cpu time spent up to now is 1413.0 secs Computing kpt #: 173 total cpu time spent up to now is 1418.3 secs Computing kpt #: 174 total cpu time spent up to now is 1423.6 secs Computing kpt #: 175 total cpu time spent up to now is 1428.9 secs Computing kpt #: 176 total cpu time spent up to now is 1434.1 secs Computing kpt #: 177 total cpu time spent up to now is 1439.4 secs Computing kpt #: 178 total cpu time spent up to now is 1444.7 secs Computing kpt #: 179 total cpu time spent up to now is 1450.5 secs Computing kpt #: 180 total cpu time spent up to now is 1456.3 secs Computing kpt #: 181 total cpu time spent up to now is 1462.5 secs Computing kpt #: 182 total cpu time spent up to now is 1468.8 secs Computing kpt #: 183 total cpu time spent up to now is 1475.9 secs Computing kpt #: 184 total cpu time spent up to now is 1484.9 secs Computing kpt #: 185 total cpu time spent up to now is 1494.8 secs Computing kpt #: 186 total cpu time spent up to now is 1503.0 secs Computing kpt #: 187 total cpu time spent up to now is 1510.4 secs Computing kpt #: 188 total cpu time spent up to now is 1517.3 secs Computing kpt #: 189 total cpu time spent up to now is 1523.4 secs Computing kpt #: 190 total cpu time spent up to now is 1529.5 secs Computing kpt #: 191 total cpu time spent up to now is 1535.2 secs Computing kpt #: 192 total cpu time spent up to now is 1540.6 secs Computing kpt #: 193 total cpu time spent up to now is 1546.0 secs Computing kpt #: 194 total cpu time spent up to now is 1551.3 secs Computing kpt #: 195 total cpu time spent up to now is 1556.5 secs Computing kpt #: 196 total cpu time spent up to now is 1561.7 secs Computing kpt #: 197 total cpu time spent up to now is 1566.8 secs Computing kpt #: 198 total cpu time spent up to now is 1571.9 secs Computing kpt #: 199 total cpu time spent up to now is 1577.0 secs Computing kpt #: 200 total cpu time spent up to now is 1582.1 secs Computing kpt #: 201 total cpu time spent up to now is 1587.1 secs Computing kpt #: 202 total cpu time spent up to now is 1592.2 secs Computing kpt #: 203 total cpu time spent up to now is 1597.5 secs Computing kpt #: 204 total cpu time spent up to now is 1602.9 secs Computing kpt #: 205 total cpu time spent up to now is 1610.2 secs Computing kpt #: 206 total cpu time spent up to now is 1615.6 secs Computing kpt #: 207 total cpu time spent up to now is 1621.1 secs Computing kpt #: 208 total cpu time spent up to now is 1626.5 secs Computing kpt #: 209 total cpu time spent up to now is 1632.2 secs Computing kpt #: 210 total cpu time spent up to now is 1637.8 secs Computing kpt #: 211 total cpu time spent up to now is 1643.4 secs Computing kpt #: 212 total cpu time spent up to now is 1649.3 secs Computing kpt #: 213 total cpu time spent up to now is 1655.1 secs Computing kpt #: 214 total cpu time spent up to now is 1661.3 secs Computing kpt #: 215 total cpu time spent up to now is 1667.3 secs Computing kpt #: 216 total cpu time spent up to now is 1673.5 secs Computing kpt #: 217 total cpu time spent up to now is 1679.8 secs Computing kpt #: 218 total cpu time spent up to now is 1686.0 secs Computing kpt #: 219 total cpu time spent up to now is 1692.3 secs Computing kpt #: 220 total cpu time spent up to now is 1698.7 secs Computing kpt #: 221 total cpu time spent up to now is 1705.1 secs Computing kpt #: 222 total cpu time spent up to now is 1711.5 secs Computing kpt #: 223 total cpu time spent up to now is 1718.1 secs Computing kpt #: 224 total cpu time spent up to now is 1724.5 secs Computing kpt #: 225 total cpu time spent up to now is 1731.2 secs Computing kpt #: 226 total cpu time spent up to now is 1737.8 secs Computing kpt #: 227 total cpu time spent up to now is 1744.5 secs Computing kpt #: 228 total cpu time spent up to now is 1751.3 secs Computing kpt #: 229 total cpu time spent up to now is 1758.0 secs Computing kpt #: 230 total cpu time spent up to now is 1764.7 secs Computing kpt #: 231 total cpu time spent up to now is 1774.2 secs ethr = 1.43E-11, avg # of iterations = 66.8 total cpu time spent up to now is 1774.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5887 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7371 -31.7371 -31.7371 -31.7371 -7.5381 -7.5381 -6.2904 -6.2904 -6.2847 -6.2847 -6.2847 -6.2847 0.3975 0.3975 0.3975 0.3975 1.2282 1.2282 1.9654 1.9654 1.9654 1.9654 1.9987 1.9987 2.5986 2.5986 2.6396 2.6396 2.6396 2.6396 3.3660 3.3660 3.3660 3.3660 3.3687 3.3687 3.4367 3.4367 3.4367 3.4367 3.8936 3.8936 4.0097 4.0097 4.0097 4.0097 4.1574 4.1574 4.1574 4.1574 4.2304 4.2304 4.8143 4.8143 4.9075 4.9075 4.9075 4.9075 5.0630 5.0630 5.7521 5.7521 5.7521 5.7521 5.8342 5.8342 7.6211 7.6211 7.6211 7.6211 8.3161 8.3161 8.3509 8.3509 8.3509 8.3509 9.1348 9.1348 11.5180 11.5180 k = 0.0000 0.0167-0.0000 ( 5887 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7371 -31.7371 -31.7371 -31.7371 -7.5374 -7.5374 -6.2907 -6.2907 -6.2852 -6.2852 -6.2846 -6.2846 0.3982 0.3982 0.3986 0.3986 1.2289 1.2289 1.9645 1.9645 1.9660 1.9660 1.9986 1.9986 2.5980 2.5980 2.6386 2.6386 2.6394 2.6394 3.3541 3.3541 3.3661 3.3661 3.3678 3.3678 3.4361 3.4361 3.4492 3.4492 3.8936 3.8936 4.0056 4.0056 4.0136 4.0136 4.1549 4.1549 4.1601 4.1601 4.2302 4.2302 4.8141 4.8141 4.9041 4.9041 4.9101 4.9101 5.0629 5.0629 5.7510 5.7510 5.7526 5.7526 5.8338 5.8338 7.6212 7.6212 7.6216 7.6216 8.3149 8.3149 8.3485 8.3485 8.3510 8.3510 9.1420 9.1420 11.5171 11.5173 k = 0.0000 0.0333-0.0000 ( 5903 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7371 -31.7371 -31.7371 -31.7371 -7.5356 -7.5356 -6.2920 -6.2920 -6.2864 -6.2864 -6.2846 -6.2846 0.4001 0.4001 0.4018 0.4018 1.2312 1.2312 1.9624 1.9624 1.9669 1.9669 1.9982 1.9982 2.5962 2.5962 2.6356 2.6356 2.6386 2.6386 3.3283 3.3283 3.3653 3.3653 3.3668 3.3668 3.4371 3.4371 3.4730 3.4730 3.8934 3.8934 4.0013 4.0013 4.0175 4.0175 4.1521 4.1521 4.1638 4.1638 4.2296 4.2296 4.8134 4.8134 4.8997 4.8997 4.9122 4.9122 5.0622 5.0622 5.7475 5.7475 5.7538 5.7538 5.8326 5.8326 7.6217 7.6217 7.6231 7.6231 8.3106 8.3106 8.3426 8.3426 8.3512 8.3512 9.1632 9.1632 11.5103 11.5103 k = 0.0000 0.0500-0.0000 ( 5903 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7371 -31.7371 -31.7371 -31.7371 -7.5325 -7.5325 -6.2952 -6.2952 -6.2873 -6.2873 -6.2846 -6.2846 0.4033 0.4033 0.4072 0.4072 1.2351 1.2351 1.9588 1.9588 1.9683 1.9683 1.9980 1.9980 2.5929 2.5929 2.6311 2.6311 2.6373 2.6373 3.2979 3.2979 3.3640 3.3640 3.3654 3.3654 3.4388 3.4388 3.5000 3.5000 3.8932 3.8932 3.9970 3.9970 4.0214 4.0214 4.1485 4.1485 4.1686 4.1686 4.2289 4.2289 4.8122 4.8122 4.8941 4.8941 4.9141 4.9141 5.0612 5.0612 5.7415 5.7415 5.7558 5.7558 5.8310 5.8310 7.6224 7.6224 7.6254 7.6254 8.3005 8.3005 8.3369 8.3369 8.3516 8.3516 9.1970 9.1970 11.4991 11.4991 k = 0.0000 0.0667-0.0000 ( 5891 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7371 -31.7371 -31.7371 -31.7371 -7.5282 -7.5282 -6.3005 -6.3005 -6.2877 -6.2877 -6.2845 -6.2845 0.4077 0.4077 0.4147 0.4147 1.2404 1.2404 1.9532 1.9532 1.9703 1.9703 1.9983 1.9983 2.5878 2.5878 2.6254 2.6254 2.6357 2.6357 3.2654 3.2654 3.3622 3.3622 3.3635 3.3635 3.4413 3.4413 3.5278 3.5278 3.8928 3.8928 3.9927 3.9927 4.0254 4.0254 4.1438 4.1438 4.1744 4.1744 4.2282 4.2282 4.8102 4.8102 4.8874 4.8874 4.9161 4.9161 5.0599 5.0599 5.7325 5.7325 5.7585 5.7585 5.8294 5.8294 7.6233 7.6233 7.6288 7.6288 8.2838 8.2838 8.3340 8.3340 8.3520 8.3520 9.2419 9.2419 11.4849 11.4849 k = 0.0000 0.0833-0.0000 ( 5883 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7372 -31.7372 -31.7371 -31.7371 -7.5227 -7.5227 -6.3077 -6.3077 -6.2878 -6.2878 -6.2844 -6.2844 0.4134 0.4134 0.4242 0.4242 1.2473 1.2473 1.9453 1.9453 1.9727 1.9727 1.9993 1.9993 2.5803 2.5803 2.6192 2.6192 2.6335 2.6335 3.2315 3.2315 3.3599 3.3599 3.3610 3.3610 3.4443 3.4443 3.5557 3.5557 3.8922 3.8922 3.9885 3.9885 4.0296 4.0296 4.1378 4.1378 4.1810 4.1810 4.2281 4.2281 4.8072 4.8072 4.8795 4.8795 4.9185 4.9185 5.0582 5.0582 5.7205 5.7205 5.7619 5.7619 5.8282 5.8282 7.6241 7.6241 7.6329 7.6329 8.2628 8.2628 8.3329 8.3329 8.3525 8.3525 9.2961 9.2961 11.4687 11.4687 k = 0.0000 0.1000-0.0000 ( 5891 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7372 -31.7372 -31.7371 -31.7371 -7.5160 -7.5160 -6.3166 -6.3166 -6.2877 -6.2877 -6.2843 -6.2843 0.4203 0.4203 0.4358 0.4358 1.2557 1.2557 1.9352 1.9352 1.9757 1.9757 2.0011 2.0011 2.5700 2.5700 2.6130 2.6130 2.6309 2.6309 3.1964 3.1964 3.3571 3.3571 3.3581 3.3581 3.4479 3.4479 3.5834 3.5834 3.8913 3.8913 3.9847 3.9847 4.0339 4.0339 4.1306 4.1306 4.1878 4.1878 4.2287 4.2287 4.8030 4.8030 4.8705 4.8705 4.9215 4.9215 5.0563 5.0563 5.7053 5.7053 5.7659 5.7659 5.8277 5.8277 7.6248 7.6248 7.6378 7.6378 8.2398 8.2398 8.3329 8.3329 8.3530 8.3530 9.3580 9.3580 11.4515 11.4515 k = 0.0000 0.1167-0.0000 ( 5883 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7372 -31.7372 -31.7371 -31.7371 -7.5081 -7.5081 -6.3270 -6.3270 -6.2876 -6.2876 -6.2842 -6.2842 0.4283 0.4283 0.4495 0.4495 1.2656 1.2656 1.9228 1.9228 1.9791 1.9791 2.0036 2.0036 2.5567 2.5567 2.6071 2.6071 2.6278 2.6278 3.1602 3.1602 3.3539 3.3539 3.3548 3.3548 3.4520 3.4520 3.6108 3.6108 3.8900 3.8900 3.9814 3.9814 4.0384 4.0384 4.1223 4.1223 4.1941 4.1941 4.2309 4.2309 4.7976 4.7976 4.8604 4.8604 4.9251 4.9251 5.0540 5.0540 5.6871 5.6871 5.7704 5.7704 5.8279 5.8279 7.6250 7.6250 7.6435 7.6435 8.2166 8.2166 8.3332 8.3332 8.3534 8.3534 9.4263 9.4263 11.4340 11.4340 k = 0.0000 0.1333-0.0000 ( 5879 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7372 -31.7372 -31.7371 -31.7371 -7.4991 -7.4991 -6.3389 -6.3389 -6.2875 -6.2875 -6.2840 -6.2840 0.4375 0.4375 0.4651 0.4651 1.2770 1.2770 1.9083 1.9083 1.9831 1.9831 2.0069 2.0069 2.5406 2.5406 2.6016 2.6016 2.6243 2.6243 3.1231 3.1231 3.3504 3.3504 3.3511 3.3511 3.4567 3.4567 3.6379 3.6379 3.8884 3.8884 3.9787 3.9787 4.0431 4.0431 4.1130 4.1130 4.1994 4.1994 4.2351 4.2351 4.7910 4.7910 4.8495 4.8495 4.9294 4.9294 5.0516 5.0516 5.6664 5.6664 5.7753 5.7753 5.8287 5.8287 7.6247 7.6247 7.6498 7.6498 8.1941 8.1941 8.3338 8.3338 8.3537 8.3537 9.4999 9.4999 11.4169 11.4169 k = 0.0000 0.1500-0.0000 ( 5883 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7372 -31.7372 -31.7371 -31.7371 -7.4891 -7.4891 -6.3522 -6.3522 -6.2873 -6.2873 -6.2839 -6.2839 0.4477 0.4477 0.4826 0.4826 1.2898 1.2898 1.8917 1.8917 1.9874 1.9874 2.0107 2.0107 2.5221 2.5221 2.5962 2.5962 2.6204 2.6204 3.0850 3.0850 3.3464 3.3464 3.3470 3.3470 3.4616 3.4616 3.6645 3.6645 3.8864 3.8864 3.9767 3.9767 4.0478 4.0478 4.1030 4.1030 4.2031 4.2031 4.2413 4.2413 4.7831 4.7831 4.8378 4.8378 4.9343 4.9343 5.0489 5.0489 5.6433 5.6433 5.7804 5.7804 5.8300 5.8300 7.6236 7.6236 7.6566 7.6566 8.1731 8.1731 8.3344 8.3344 8.3539 8.3539 9.5778 9.5778 11.4007 11.4007 k = 0.0000 0.1667-0.0000 ( 5879 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7373 -31.7373 -31.7371 -31.7371 -7.4779 -7.4779 -6.3668 -6.3668 -6.2870 -6.2870 -6.2837 -6.2837 0.4589 0.4589 0.5020 0.5020 1.3041 1.3041 1.8733 1.8733 1.9922 1.9922 2.0150 2.0150 2.5016 2.5016 2.5908 2.5908 2.6162 2.6162 3.0459 3.0459 3.3421 3.3421 3.3428 3.3428 3.4670 3.4670 3.6907 3.6907 3.8841 3.8841 3.9755 3.9755 4.0522 4.0522 4.0929 4.0929 4.2056 4.2056 4.2492 4.2492 4.7742 4.7742 4.8255 4.8255 4.9397 4.9397 5.0461 5.0461 5.6184 5.6184 5.7858 5.7858 5.8318 5.8318 7.6216 7.6216 7.6638 7.6638 8.1542 8.1542 8.3350 8.3350 8.3539 8.3539 9.6593 9.6593 11.3857 11.3857 k = 0.0000 0.1833-0.0000 ( 5887 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7373 -31.7373 -31.7371 -31.7371 -7.4657 -7.4657 -6.3826 -6.3826 -6.2868 -6.2868 -6.2836 -6.2836 0.4710 0.4710 0.5231 0.5231 1.3198 1.3198 1.8532 1.8532 1.9973 1.9973 2.0198 2.0198 2.4793 2.4793 2.5853 2.5853 2.6116 2.6116 3.0061 3.0061 3.3375 3.3375 3.3383 3.3383 3.4726 3.4726 3.7163 3.7163 3.8817 3.8817 3.9748 3.9748 4.0551 4.0551 4.0839 4.0839 4.2074 4.2074 4.2580 4.2580 4.7644 4.7644 4.8127 4.8127 4.9455 4.9455 5.0433 5.0433 5.5920 5.5920 5.7913 5.7913 5.8340 5.8340 7.6186 7.6186 7.6714 7.6714 8.1375 8.1375 8.3354 8.3354 8.3537 8.3537 9.7437 9.7437 11.3722 11.3722 k = 0.0000 0.2000-0.0000 ( 5871 PWs) bands (ev): -58.1133 -58.1133 -32.5602 -32.5602 -31.7373 -31.7373 -31.7371 -31.7371 -7.4526 -7.4526 -6.3996 -6.3996 -6.2865 -6.2865 -6.2834 -6.2834 0.4840 0.4840 0.5460 0.5460 1.3369 1.3369 1.8313 1.8313 2.0028 2.0028 2.0251 2.0251 2.4556 2.4556 2.5797 2.5797 2.6068 2.6068 2.9654 2.9654 3.3327 3.3327 3.3337 3.3337 3.4784 3.4784 3.7412 3.7412 3.8794 3.8794 3.9749 3.9749 4.0540 4.0540 4.0790 4.0790 4.2087 4.2087 4.2672 4.2672 4.7540 4.7540 4.7998 4.7998 4.9516 4.9516 5.0404 5.0404 5.5645 5.5645 5.7969 5.7969 5.8364 5.8364 7.6146 7.6146 7.6792 7.6792 8.1233 8.1233 8.3356 8.3356 8.3532 8.3532 9.8303 9.8303 11.3603 11.3603 k = 0.0000 0.2167-0.0000 ( 5906 PWs) bands (ev): -58.1133 -58.1133 -32.5602 -32.5602 -31.7373 -31.7373 -31.7371 -31.7371 -7.4386 -7.4386 -6.4176 -6.4176 -6.2862 -6.2862 -6.2832 -6.2832 0.4977 0.4977 0.5704 0.5704 1.3553 1.3553 1.8079 1.8079 2.0086 2.0086 2.0306 2.0306 2.4306 2.4306 2.5739 2.5739 2.6016 2.6016 2.9240 2.9240 3.3277 3.3277 3.3289 3.3289 3.4843 3.4843 3.7648 3.7648 3.8776 3.8776 3.9753 3.9753 4.0470 4.0470 4.0797 4.0797 4.2098 4.2098 4.2763 4.2763 4.7431 4.7431 4.7866 4.7866 4.9578 4.9578 5.0375 5.0375 5.5362 5.5362 5.8024 5.8024 5.8390 5.8390 7.6096 7.6096 7.6872 7.6872 8.1115 8.1115 8.3356 8.3356 8.3524 8.3524 9.9186 9.9186 11.3501 11.3501 k = 0.0000 0.2333-0.0000 ( 5898 PWs) bands (ev): -58.1133 -58.1133 -32.5602 -32.5602 -31.7374 -31.7374 -31.7371 -31.7371 -7.4238 -7.4238 -6.4365 -6.4365 -6.2859 -6.2859 -6.2831 -6.2831 0.5121 0.5121 0.5964 0.5964 1.3750 1.3750 1.7830 1.7830 2.0146 2.0146 2.0364 2.0364 2.4048 2.4048 2.5680 2.5680 2.5963 2.5963 2.8820 2.8820 3.3226 3.3226 3.3240 3.3240 3.4904 3.4904 3.7866 3.7866 3.8772 3.8772 3.9762 3.9762 4.0370 4.0370 4.0838 4.0838 4.2109 4.2109 4.2850 4.2850 4.7319 4.7319 4.7736 4.7736 4.9641 4.9641 5.0349 5.0349 5.5073 5.5073 5.8079 5.8079 5.8417 5.8417 7.6037 7.6037 7.6952 7.6952 8.1021 8.1021 8.3353 8.3353 8.3513 8.3513 10.0079 10.0079 11.3417 11.3417 k = 0.0000 0.2500-0.0000 ( 5918 PWs) bands (ev): -58.1133 -58.1133 -32.5602 -32.5602 -31.7374 -31.7374 -31.7371 -31.7371 -7.4082 -7.4082 -6.4562 -6.4562 -6.2857 -6.2857 -6.2829 -6.2829 0.5269 0.5269 0.6237 0.6237 1.3959 1.3959 1.7568 1.7568 2.0208 2.0208 2.0424 2.0424 2.3783 2.3783 2.5619 2.5619 2.5908 2.5908 2.8395 2.8395 3.3175 3.3175 3.3191 3.3191 3.4965 3.4965 3.8051 3.8051 3.8795 3.8795 3.9774 3.9774 4.0262 4.0262 4.0889 4.0889 4.2119 4.2119 4.2930 4.2930 4.7205 4.7205 4.7606 4.7606 4.9703 4.9703 5.0324 5.0324 5.4783 5.4783 5.8131 5.8131 5.8445 5.8445 7.5971 7.5971 7.7031 7.7031 8.0948 8.0948 8.3348 8.3348 8.3500 8.3500 10.0977 10.0977 11.3351 11.3351 k = 0.0000 0.2667-0.0000 ( 5898 PWs) bands (ev): -58.1133 -58.1133 -32.5602 -32.5602 -31.7374 -31.7374 -31.7371 -31.7371 -7.3920 -7.3920 -6.4765 -6.4765 -6.2853 -6.2853 -6.2827 -6.2827 0.5422 0.5422 0.6524 0.6524 1.4178 1.4178 1.7294 1.7294 2.0272 2.0272 2.0486 2.0486 2.3515 2.3515 2.5558 2.5558 2.5852 2.5852 2.7968 2.7968 3.3125 3.3125 3.3142 3.3142 3.5026 3.5026 3.8185 3.8185 3.8866 3.8866 3.9790 3.9790 4.0156 4.0156 4.0944 4.0944 4.2130 4.2130 4.3001 4.3001 4.7093 4.7093 4.7481 4.7481 4.9764 4.9764 5.0304 5.0304 5.4493 5.4493 5.8182 5.8182 5.8473 5.8473 7.5899 7.5899 7.7109 7.7109 8.0895 8.0895 8.3341 8.3341 8.3484 8.3484 10.1876 10.1876 11.3300 11.3300 k = 0.0000 0.2833-0.0000 ( 5890 PWs) bands (ev): -58.1133 -58.1133 -32.5602 -32.5602 -31.7375 -31.7375 -31.7371 -31.7371 -7.3752 -7.3752 -6.4973 -6.4973 -6.2850 -6.2850 -6.2825 -6.2825 0.5576 0.5576 0.6822 0.6822 1.4406 1.4406 1.7011 1.7011 2.0337 2.0337 2.0548 2.0548 2.3247 2.3247 2.5496 2.5496 2.5795 2.5795 2.7540 2.7540 3.3075 3.3075 3.3093 3.3093 3.5086 3.5086 3.8254 3.8254 3.8993 3.8993 3.9807 3.9807 4.0055 4.0055 4.1000 4.1000 4.2141 4.2141 4.3062 4.3062 4.6983 4.6983 4.7358 4.7358 4.9823 4.9823 5.0289 5.0289 5.4206 5.4206 5.8230 5.8230 5.8502 5.8502 7.5824 7.5824 7.7185 7.7185 8.0857 8.0857 8.3331 8.3331 8.3465 8.3465 10.2767 10.2767 11.3264 11.3264 k = 0.0000 0.3000-0.0000 ( 5890 PWs) bands (ev): -58.1133 -58.1133 -32.5602 -32.5602 -31.7375 -31.7375 -31.7371 -31.7371 -7.3581 -7.3581 -6.5184 -6.5184 -6.2847 -6.2847 -6.2824 -6.2824 0.5732 0.5732 0.7131 0.7131 1.4640 1.4640 1.6721 1.6721 2.0402 2.0402 2.0611 2.0611 2.2981 2.2981 2.5432 2.5432 2.5738 2.5738 2.7114 2.7114 3.3026 3.3026 3.3046 3.3046 3.5145 3.5145 3.8276 3.8276 3.9157 3.9157 3.9825 3.9825 3.9965 3.9965 4.1056 4.1056 4.2152 4.2152 4.3109 4.3109 4.6877 4.6877 4.7240 4.7240 4.9880 4.9880 5.0280 5.0280 5.3923 5.3923 5.8276 5.8276 5.8530 5.8530 7.5747 7.5747 7.7259 7.7259 8.0834 8.0834 8.3320 8.3320 8.3444 8.3444 10.3646 10.3646 11.3241 11.3241 k = 0.0000 0.3167-0.0000 ( 5902 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7375 -31.7375 -31.7371 -31.7371 -7.3406 -7.3406 -6.5396 -6.5396 -6.2844 -6.2844 -6.2822 -6.2822 0.5886 0.5886 0.7448 0.7448 1.4874 1.4874 1.6429 1.6429 2.0465 2.0465 2.0672 2.0672 2.2719 2.2719 2.5367 2.5367 2.5682 2.5682 2.6693 2.6693 3.2980 3.2980 3.2999 3.2999 3.5203 3.5203 3.8270 3.8270 3.9327 3.9327 3.9848 3.9848 3.9896 3.9896 4.1111 4.1111 4.2163 4.2163 4.3142 4.3142 4.6775 4.6775 4.7128 4.7128 4.9933 4.9933 5.0280 5.0280 5.3645 5.3645 5.8317 5.8317 5.8557 5.8557 7.5671 7.5671 7.7328 7.7328 8.0821 8.0821 8.3306 8.3306 8.3422 8.3422 10.4506 10.4506 11.3228 11.3228 k = 0.0000 0.3333-0.0000 ( 5906 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7376 -31.7376 -31.7371 -31.7371 -7.3231 -7.3231 -6.5608 -6.5608 -6.2842 -6.2842 -6.2821 -6.2821 0.6038 0.6038 0.7773 0.7773 1.5096 1.5096 1.6149 1.6149 2.0527 2.0527 2.0733 2.0733 2.2467 2.2467 2.5298 2.5298 2.5628 2.5628 2.6282 2.6282 3.2936 3.2936 3.2955 3.2955 3.5258 3.5258 3.8251 3.8251 3.9456 3.9456 3.9862 3.9862 3.9891 3.9891 4.1163 4.1163 4.2174 4.2174 4.3158 4.3158 4.6679 4.6679 4.7022 4.7022 4.9982 4.9982 5.0291 5.0291 5.3375 5.3375 5.8355 5.8355 5.8584 5.8584 7.5596 7.5596 7.7394 7.7394 8.0817 8.0817 8.3292 8.3292 8.3398 8.3398 10.5340 10.5340 11.3223 11.3223 k = 0.0000 0.3500-0.0000 ( 5914 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7376 -31.7376 -31.7371 -31.7371 -7.3057 -7.3057 -6.5816 -6.5816 -6.2839 -6.2839 -6.2820 -6.2820 0.6184 0.6184 0.8102 0.8102 1.5256 1.5256 1.5928 1.5928 2.0587 2.0587 2.0791 2.0791 2.2225 2.2225 2.5218 2.5218 2.5575 2.5575 2.5894 2.5894 3.2894 3.2894 3.2913 3.2913 3.5310 3.5310 3.8226 3.8226 3.9497 3.9497 3.9867 3.9867 3.9992 3.9992 4.1212 4.1212 4.2184 4.2184 4.3159 4.3159 4.6591 4.6591 4.6924 4.6924 5.0025 5.0025 5.0314 5.0314 5.3113 5.3113 5.8389 5.8389 5.8609 5.8609 7.5525 7.5525 7.7454 7.7454 8.0819 8.0819 8.3276 8.3276 8.3374 8.3374 10.6140 10.6140 11.3222 11.3222 k = 0.0000 0.3667-0.0000 ( 5906 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7376 -31.7376 -31.7371 -31.7371 -7.2887 -7.2887 -6.6018 -6.6018 -6.2836 -6.2836 -6.2819 -6.2819 0.6324 0.6324 0.8433 0.8433 1.5217 1.5217 1.5905 1.5905 2.0644 2.0644 2.0846 2.0846 2.1998 2.1998 2.5103 2.5103 2.5525 2.5525 2.5557 2.5557 3.2856 3.2856 3.2875 3.2875 3.5360 3.5360 3.8198 3.8198 3.9473 3.9473 3.9881 3.9881 4.0154 4.0154 4.1260 4.1260 4.2195 4.2195 4.3144 4.3144 4.6510 4.6510 4.6834 4.6834 5.0062 5.0062 5.0353 5.0353 5.2861 5.2861 5.8420 5.8420 5.8634 5.8634 7.5458 7.5458 7.7509 7.7509 8.0826 8.0826 8.3261 8.3261 8.3351 8.3351 10.6899 10.6899 11.3224 11.3224 k = 0.0000 0.3833-0.0000 ( 5886 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7376 -31.7376 -31.7371 -31.7371 -7.2723 -7.2723 -6.6211 -6.6211 -6.2834 -6.2834 -6.2818 -6.2818 0.6454 0.6454 0.8763 0.8763 1.4988 1.4988 1.6068 1.6068 2.0698 2.0698 2.0897 2.0897 2.1789 2.1789 2.4894 2.4894 2.5336 2.5336 2.5479 2.5479 3.2822 3.2822 3.2839 3.2839 3.5405 3.5405 3.8171 3.8171 3.9429 3.9429 3.9895 3.9895 4.0337 4.0337 4.1304 4.1304 4.2205 4.2205 4.3114 4.3114 4.6439 4.6439 4.6753 4.6753 5.0091 5.0091 5.0408 5.0408 5.2619 5.2619 5.8447 5.8447 5.8656 5.8656 7.5398 7.5398 7.7559 7.7559 8.0836 8.0836 8.3246 8.3246 8.3328 8.3328 10.7609 10.7609 11.3224 11.3224 k = 0.0000 0.4000-0.0000 ( 5902 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7376 -31.7376 -31.7371 -31.7371 -7.2568 -7.2568 -6.6391 -6.6391 -6.2831 -6.2831 -6.2817 -6.2817 0.6573 0.6573 0.9087 0.9087 1.4704 1.4704 1.6282 1.6282 2.0746 2.0746 2.0944 2.0944 2.1600 2.1600 2.4601 2.4601 2.5226 2.5226 2.5436 2.5436 3.2792 3.2792 3.2807 3.2807 3.5446 3.5446 3.8143 3.8143 3.9381 3.9381 3.9906 3.9906 4.0521 4.0521 4.1344 4.1344 4.2214 4.2214 4.3071 4.3071 4.6375 4.6375 4.6680 4.6680 5.0114 5.0114 5.0477 5.0477 5.2387 5.2387 5.8470 5.8470 5.8676 5.8676 7.5344 7.5344 7.7603 7.7603 8.0846 8.0846 8.3232 8.3232 8.3306 8.3306 10.8260 10.8260 11.3220 11.3220 k = 0.0000 0.4167-0.0000 ( 5902 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7377 -31.7377 -31.7371 -31.7371 -7.2427 -7.2427 -6.6554 -6.6554 -6.2829 -6.2829 -6.2816 -6.2816 0.6678 0.6678 0.9400 0.9400 1.4413 1.4413 1.6498 1.6498 2.0789 2.0789 2.0984 2.0984 2.1435 2.1435 2.4299 2.4299 2.5163 2.5163 2.5399 2.5399 3.2766 3.2766 3.2779 3.2779 3.5482 3.5482 3.8118 3.8118 3.9338 3.9338 3.9917 3.9917 4.0696 4.0696 4.1382 4.1382 4.2222 4.2222 4.3016 4.3016 4.6320 4.6320 4.6618 4.6618 5.0133 5.0133 5.0561 5.0561 5.2167 5.2167 5.8489 5.8489 5.8694 5.8694 7.5297 7.5297 7.7641 7.7641 8.0857 8.0857 8.3220 8.3220 8.3287 8.3287 10.8843 10.8843 11.3209 11.3209 k = 0.0000 0.4333-0.0000 ( 5902 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7377 -31.7377 -31.7371 -31.7371 -7.2303 -7.2303 -6.6696 -6.6696 -6.2828 -6.2828 -6.2816 -6.2816 0.6767 0.6767 0.9694 0.9694 1.4133 1.4133 1.6698 1.6698 2.0825 2.0825 2.1019 2.1019 2.1296 2.1296 2.4023 2.4023 2.5118 2.5118 2.5367 2.5367 3.2744 3.2744 3.2755 3.2755 3.5513 3.5513 3.8097 3.8097 3.9301 3.9301 3.9926 3.9926 4.0852 4.0852 4.1417 4.1417 4.2231 4.2231 4.2956 4.2956 4.6275 4.6275 4.6566 4.6566 5.0148 5.0148 5.0657 5.0657 5.1959 5.1959 5.8505 5.8505 5.8709 5.8709 7.5258 7.5258 7.7672 7.7672 8.0867 8.0867 8.3209 8.3209 8.3269 8.3269 10.9347 10.9347 11.3192 11.3192 k = 0.0000 0.4500-0.0000 ( 5910 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7377 -31.7377 -31.7371 -31.7371 -7.2200 -7.2200 -6.6813 -6.6813 -6.2826 -6.2826 -6.2816 -6.2816 0.6838 0.6838 0.9955 0.9955 1.3881 1.3881 1.6869 1.6869 2.0854 2.0854 2.1047 2.1047 2.1185 2.1185 2.3790 2.3790 2.5086 2.5086 2.5342 2.5342 3.2728 3.2728 3.2736 3.2736 3.5537 3.5537 3.8079 3.8079 3.9271 3.9271 3.9933 3.9933 4.0983 4.0983 4.1450 4.1450 4.2237 4.2237 4.2893 4.2893 4.6240 4.6240 4.6524 4.6524 5.0160 5.0160 5.0765 5.0765 5.1764 5.1764 5.8517 5.8517 5.8721 5.8721 7.5228 7.5228 7.7696 7.7696 8.0876 8.0876 8.3200 8.3200 8.3256 8.3256 10.9760 10.9760 11.3169 11.3169 k = 0.0000 0.4667-0.0000 ( 5910 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7377 -31.7377 -31.7371 -31.7371 -7.2124 -7.2124 -6.6900 -6.6900 -6.2825 -6.2825 -6.2815 -6.2815 0.6890 0.6890 1.0167 1.0167 1.3675 1.3675 1.7002 1.7002 2.0875 2.0875 2.1067 2.1067 2.1105 2.1105 2.3612 2.3612 2.5063 2.5063 2.5323 2.5323 3.2716 3.2716 3.2722 3.2722 3.5555 3.5555 3.8065 3.8065 3.9250 3.9250 3.9938 3.9938 4.1082 4.1082 4.1479 4.1479 4.2243 4.2243 4.2838 4.2838 4.6215 4.6215 4.6495 4.6495 5.0168 5.0168 5.0881 5.0881 5.1586 5.1586 5.8526 5.8526 5.8730 5.8730 7.5206 7.5206 7.7713 7.7713 8.0882 8.0882 8.3194 8.3194 8.3245 8.3245 11.0070 11.0070 11.3145 11.3145 k = 0.0000 0.4833-0.0000 ( 5910 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7377 -31.7377 -31.7371 -31.7371 -7.2076 -7.2076 -6.6954 -6.6954 -6.2824 -6.2824 -6.2815 -6.2815 0.6922 0.6922 1.0308 1.0308 1.3537 1.3537 1.7085 1.7085 2.0888 2.0888 2.1056 2.1056 2.1080 2.1080 2.3501 2.3501 2.5050 2.5050 2.5312 2.5312 3.2710 3.2710 3.2713 3.2713 3.5566 3.5566 3.8057 3.8057 3.9238 3.9238 3.9940 3.9940 4.1141 4.1141 4.1502 4.1502 4.2246 4.2246 4.2800 4.2800 4.6200 4.6200 4.6477 4.6477 5.0173 5.0173 5.0994 5.0994 5.1436 5.1436 5.8531 5.8531 5.8735 5.8735 7.5192 7.5192 7.7724 7.7724 8.0886 8.0886 8.3190 8.3190 8.3239 8.3239 11.0264 11.0264 11.3126 11.3126 k = 0.0000 0.5000-0.0000 ( 5910 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7377 -31.7377 -31.7371 -31.7371 -7.2060 -7.2060 -6.6972 -6.6972 -6.2824 -6.2824 -6.2815 -6.2815 0.6933 0.6933 1.0358 1.0358 1.3489 1.3489 1.7114 1.7114 2.0892 2.0892 2.1040 2.1040 2.1084 2.1084 2.3464 2.3464 2.5045 2.5045 2.5308 2.5308 3.2709 3.2709 3.2709 3.2709 3.5569 3.5569 3.8055 3.8055 3.9233 3.9233 3.9941 3.9941 4.1161 4.1161 4.1511 4.1511 4.2247 4.2247 4.2785 4.2785 4.6195 4.6195 4.6471 4.6471 5.0175 5.0175 5.1055 5.1055 5.1363 5.1363 5.8533 5.8533 5.8737 5.8737 7.5188 7.5188 7.7727 7.7727 8.0888 8.0888 8.3189 8.3189 8.3237 8.3237 11.0329 11.0329 11.3119 11.3119 k = 0.0000 0.5000-0.0000 ( 5910 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7377 -31.7377 -31.7371 -31.7371 -7.2060 -7.2060 -6.6972 -6.6972 -6.2824 -6.2824 -6.2815 -6.2815 0.6933 0.6933 1.0358 1.0358 1.3489 1.3489 1.7114 1.7114 2.0892 2.0892 2.1040 2.1040 2.1084 2.1084 2.3464 2.3464 2.5045 2.5045 2.5308 2.5308 3.2709 3.2709 3.2709 3.2709 3.5569 3.5569 3.8055 3.8055 3.9233 3.9233 3.9941 3.9941 4.1161 4.1161 4.1511 4.1511 4.2247 4.2247 4.2785 4.2785 4.6195 4.6195 4.6471 4.6471 5.0175 5.0175 5.1055 5.1055 5.1363 5.1363 5.8533 5.8533 5.8737 5.8737 7.5188 7.5188 7.7727 7.7727 8.0888 8.0888 8.3189 8.3189 8.3237 8.3237 11.0329 11.0329 11.3119 11.3119 k = 0.0167 0.5000-0.0000 ( 5910 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7377 -31.7377 -31.7371 -31.7371 -7.2055 -7.2054 -6.6970 -6.6970 -6.2829 -6.2828 -6.2819 -6.2818 0.6936 0.6942 1.0358 1.0360 1.3485 1.3490 1.7114 1.7119 2.0875 2.0903 2.1027 2.1044 2.1084 2.1086 2.3467 2.3469 2.5039 2.5043 2.5302 2.5306 3.2681 3.2684 3.2697 3.2701 3.5582 3.5583 3.8038 3.8072 3.9202 3.9265 3.9813 4.0080 4.1136 4.1166 4.1473 4.1562 4.2174 4.2355 4.2755 4.2824 4.6125 4.6221 4.6408 4.6521 5.0158 5.0260 5.1011 5.1103 5.1340 5.1375 5.8498 5.8554 5.8727 5.8732 7.5191 7.5205 7.7725 7.7732 8.0891 8.0902 8.3183 8.3191 8.3233 8.3242 11.0344 11.0346 11.3137 11.3158 k = 0.0333 0.5000-0.0000 ( 5890 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7377 -31.7377 -31.7371 -31.7371 -7.2039 -7.2038 -6.6964 -6.6964 -6.2845 -6.2843 -6.2827 -6.2826 0.6951 0.6962 1.0358 1.0363 1.3478 1.3488 1.7119 1.7130 2.0852 2.0909 2.1009 2.1037 2.1082 2.1092 2.3479 2.3483 2.5026 2.5031 2.5288 2.5298 3.2620 3.2622 3.2647 3.2658 3.5621 3.5622 3.8023 3.8089 3.9174 3.9294 3.9699 4.0226 4.1101 4.1154 4.1435 4.1637 4.2140 4.2486 4.2733 4.2875 4.5992 4.6225 4.6369 4.6532 5.0216 5.0394 5.0973 5.1158 5.1306 5.1382 5.8449 5.8562 5.8706 5.8713 7.5215 7.5243 7.7726 7.7739 8.0912 8.0934 8.3165 8.3175 8.3241 8.3264 11.0389 11.0394 11.3212 11.3253 k = 0.0500 0.5000-0.0000 ( 5890 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7377 -31.7377 -31.7371 -31.7371 -7.2013 -7.2011 -6.6953 -6.6953 -6.2874 -6.2871 -6.2837 -6.2836 0.6977 0.6994 1.0359 1.0366 1.3468 1.3483 1.7130 1.7146 2.0825 2.0908 2.0986 2.1019 2.1078 2.1100 2.3499 2.3506 2.5005 2.5010 2.5266 2.5285 3.2527 3.2527 3.2562 3.2583 3.5682 3.5683 3.8009 3.8104 3.9149 3.9314 3.9605 4.0375 4.1060 4.1132 4.1388 4.1735 4.2140 4.2614 4.2736 4.2942 4.5805 4.6210 4.6353 4.6503 5.0338 5.0543 5.0948 5.1214 5.1259 5.1406 5.8385 5.8556 5.8674 5.8683 7.5258 7.5300 7.7729 7.7749 8.0949 8.0983 8.3126 8.3137 8.3268 8.3307 11.0465 11.0473 11.3343 11.3405 k = 0.0667 0.5000-0.0000 ( 5892 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7377 -31.7377 -31.7371 -31.7371 -7.1976 -7.1974 -6.6938 -6.6938 -6.2914 -6.2911 -6.2851 -6.2850 0.7015 0.7038 1.0362 1.0371 1.3455 1.3474 1.7146 1.7167 2.0792 2.0897 2.0962 2.0993 2.1073 2.1109 2.3527 2.3537 2.4977 2.4978 2.5236 2.5266 3.2403 3.2404 3.2445 3.2478 3.5760 3.5762 3.8000 3.8117 3.9130 3.9315 3.9542 4.0524 4.1018 4.1107 4.1337 4.1852 4.2163 4.2644 4.2851 4.3031 4.5587 4.6163 4.6352 4.6456 5.0478 5.0670 5.0970 5.1200 5.1229 5.1513 5.8307 5.8529 5.8635 5.8649 7.5321 7.5376 7.7737 7.7762 8.1001 8.1045 8.3070 8.3083 8.3313 8.3365 11.0571 11.0581 11.3531 11.3613 k = 0.0833 0.5000-0.0000 ( 5896 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7377 -31.7377 -31.7372 -31.7372 -7.1929 -7.1926 -6.6919 -6.6918 -6.2966 -6.2962 -6.2869 -6.2868 0.7064 0.7092 1.0365 1.0376 1.3437 1.3462 1.7168 1.7194 2.0756 2.0876 2.0939 2.0961 2.1066 2.1117 2.3563 2.3575 2.4934 2.4942 2.5199 2.5245 3.2253 3.2255 3.2301 3.2347 3.5850 3.5854 3.7994 3.8128 3.9116 3.9289 3.9518 4.0666 4.0980 4.1085 4.1286 4.1982 4.2198 4.2625 4.3026 4.3142 4.5354 4.6070 4.6359 4.6418 5.0550 5.0751 5.1104 5.1136 5.1197 5.1720 5.8213 5.8475 5.8595 5.8622 7.5400 7.5470 7.7749 7.7779 8.1064 8.1118 8.3002 8.3018 8.3373 8.3436 11.0706 11.0719 11.3774 11.3875 k = 0.1000 0.5000-0.0000 ( 5892 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7377 -31.7377 -31.7372 -31.7372 -7.1871 -7.1869 -6.6895 -6.6895 -6.3028 -6.3024 -6.2890 -6.2889 0.7124 0.7158 1.0369 1.0383 1.3416 1.3445 1.7197 1.7228 2.0716 2.0842 2.0918 2.0923 2.1061 2.1126 2.3606 2.3622 2.4879 2.4898 2.5155 2.5221 3.2080 3.2082 3.2137 3.2194 3.5947 3.5953 3.7993 3.8138 3.9109 3.9246 3.9523 4.0778 4.0965 4.1070 4.1241 4.2121 4.2242 4.2602 4.3216 4.3277 4.5115 4.5930 4.6373 4.6399 5.0532 5.0787 5.1047 5.1141 5.1378 5.1996 5.8105 5.8394 5.8559 5.8607 7.5496 7.5579 7.7768 7.7803 8.1134 8.1198 8.2928 8.2947 8.3445 8.3519 11.0869 11.0884 11.4070 11.4190 k = 0.1167 0.5000-0.0000 ( 5886 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7377 -31.7377 -31.7372 -31.7372 -7.1804 -7.1801 -6.6868 -6.6868 -6.3102 -6.3097 -6.2915 -6.2914 0.7195 0.7233 1.0375 1.0390 1.3391 1.3424 1.7233 1.7269 2.0673 2.0798 2.0880 2.0897 2.1056 2.1133 2.3657 2.3675 2.4812 2.4847 2.5107 2.5196 3.1883 3.1893 3.1957 3.2023 3.6048 3.6054 3.7998 3.8148 3.9108 3.9203 3.9541 4.0811 4.1019 4.1062 4.1205 4.2254 4.2293 4.2588 4.3412 4.3433 4.4875 4.5762 4.6392 4.6393 5.0469 5.0789 5.0956 5.1068 5.1708 5.2310 5.7981 5.8292 5.8532 5.8602 7.5606 7.5701 7.7796 7.7834 8.1205 8.1278 8.2855 8.2877 8.3527 8.3612 11.1058 11.1075 11.4419 11.4556 k = 0.1333 0.5000-0.0000 ( 5892 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7377 -31.7377 -31.7372 -31.7372 -7.1727 -7.1723 -6.6837 -6.6837 -6.3186 -6.3180 -6.2943 -6.2942 0.7276 0.7319 1.0381 1.0397 1.3360 1.3398 1.7277 1.7318 2.0627 2.0746 2.0833 2.0875 2.1052 2.1140 2.3713 2.3734 2.4735 2.4785 2.5055 2.5170 3.1668 3.1689 3.1765 3.1838 3.6147 3.6155 3.8007 3.8160 3.9115 3.9166 3.9565 4.0787 4.1062 4.1097 4.1196 4.2347 4.2356 4.2617 4.3606 4.3612 4.4639 4.5578 4.6393 4.6417 5.0382 5.0762 5.0857 5.0983 5.2070 5.2643 5.7845 5.8172 5.8521 5.8611 7.5726 7.5834 7.7832 7.7874 8.1267 8.1346 8.2793 8.2817 8.3618 8.3712 11.1272 11.1290 11.4818 11.4971 k = 0.1500 0.5000-0.0000 ( 5896 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7377 -31.7377 -31.7372 -31.7372 -7.1640 -7.1636 -6.6802 -6.6802 -6.3280 -6.3274 -6.2975 -6.2974 0.7367 0.7415 1.0387 1.0406 1.3324 1.3365 1.7329 1.7374 2.0578 2.0689 2.0783 2.0853 2.1049 2.1147 2.3775 2.3797 2.4648 2.4714 2.5002 2.5142 3.1439 3.1474 3.1561 3.1639 3.6243 3.6251 3.8021 3.8175 3.9128 3.9138 3.9593 4.0754 4.1069 4.1101 4.1265 4.2363 4.2431 4.2722 4.3792 4.3810 4.4412 4.5386 4.6397 4.6448 5.0279 5.0710 5.0748 5.0890 5.2444 5.2979 5.7697 5.8038 5.8533 5.8636 7.5855 7.5975 7.7881 7.7925 8.1309 8.1391 8.2756 8.2780 8.3716 8.3818 11.1508 11.1527 11.5265 11.5431 k = 0.1667 0.5000-0.0000 ( 5900 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7377 -31.7377 -31.7372 -31.7372 -7.1544 -7.1540 -6.6764 -6.6764 -6.3384 -6.3377 -6.3009 -6.3009 0.7468 0.7519 1.0394 1.0414 1.3281 1.3326 1.7390 1.7439 2.0528 2.0627 2.0732 2.0829 2.1048 2.1153 2.3841 2.3864 2.4552 2.4631 2.4949 2.5114 3.1199 3.1250 3.1349 3.1431 3.6333 3.6340 3.8040 3.8195 3.9118 3.9146 3.9625 4.0722 4.1074 4.1084 4.1355 4.2332 4.2523 4.2872 4.3988 4.3991 4.4210 4.5191 4.6403 4.6485 5.0164 5.0631 5.0631 5.0794 5.2817 5.3306 5.7539 5.7892 5.8575 5.8685 7.5989 7.6119 7.7944 7.7991 8.1319 8.1399 8.2757 8.2776 8.3820 8.3928 11.1764 11.1784 11.5756 11.5934 k = 0.1833 0.5000-0.0000 ( 5896 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7378 -31.7378 -31.7372 -31.7372 -7.1440 -7.1435 -6.6722 -6.6722 -6.3496 -6.3489 -6.3047 -6.3046 0.7577 0.7633 1.0402 1.0423 1.3231 1.3280 1.7461 1.7514 2.0476 2.0561 2.0681 2.0807 2.1048 2.1159 2.3910 2.3929 2.4453 2.4540 2.4898 2.5086 3.0953 3.1020 3.1128 3.1215 3.6417 3.6420 3.8063 3.8222 3.9106 3.9170 3.9660 4.0692 4.1045 4.1104 4.1438 4.2283 4.2630 4.3036 4.3949 4.4191 4.4239 4.4998 4.6410 4.6527 5.0037 5.0507 5.0526 5.0694 5.3178 5.3614 5.7373 5.7735 5.8655 5.8762 7.6124 7.6263 7.8023 7.8073 8.1290 8.1362 8.2805 8.2815 8.3926 8.4040 11.2038 11.2058 11.6287 11.6473 k = 0.2000 0.5000-0.0000 ( 5894 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7378 -31.7378 -31.7373 -31.7373 -7.1327 -7.1322 -6.6678 -6.6678 -6.3618 -6.3611 -6.3088 -6.3087 0.7696 0.7754 1.0410 1.0432 1.3174 1.3226 1.7542 1.7599 2.0422 2.0492 2.0633 2.0785 2.1050 2.1165 2.3977 2.3983 2.4358 2.4443 2.4850 2.5059 3.0703 3.0787 3.0901 3.0992 3.6490 3.6493 3.8089 3.8256 3.9100 3.9198 3.9701 4.0664 4.1020 4.1130 4.1512 4.2224 4.2751 4.3205 4.3764 4.4396 4.4420 4.4811 4.6419 4.6575 4.9900 5.0375 5.0400 5.0588 5.3517 5.3894 5.7201 5.7570 5.8778 5.8874 7.6257 7.6403 7.8120 7.8174 8.1222 8.1284 8.2896 8.2896 8.4034 8.4153 11.2325 11.2345 11.6851 11.7042 k = 0.2167 0.5000-0.0000 ( 5898 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7378 -31.7378 -31.7373 -31.7373 -7.1206 -7.1201 -6.6631 -6.6631 -6.3748 -6.3740 -6.3131 -6.3130 0.7822 0.7883 1.0418 1.0441 1.3109 1.3163 1.7634 1.7695 2.0365 2.0421 2.0589 2.0767 2.1052 2.1170 2.3997 2.4029 2.4297 2.4354 2.4804 2.5033 3.0452 3.0552 3.0669 3.0763 3.6550 3.6560 3.8119 3.8297 3.9097 3.9226 3.9746 4.0634 4.1004 4.1159 4.1577 4.2157 4.2883 4.3369 4.3590 4.4574 4.4602 4.4657 4.6428 4.6629 4.9755 5.0236 5.0258 5.0473 5.3826 5.4139 5.7026 5.7399 5.8947 5.9024 7.6385 7.6534 7.8237 7.8295 8.1123 8.1174 8.3012 8.3023 8.4142 8.4265 11.2624 11.2642 11.7440 11.7629 k = 0.2333 0.5000-0.0000 ( 5902 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7378 -31.7378 -31.7373 -31.7373 -7.1079 -7.1073 -6.6582 -6.6581 -6.3885 -6.3877 -6.3176 -6.3175 0.7955 0.8019 1.0427 1.0450 1.3036 1.3090 1.7737 1.7801 2.0304 2.0348 2.0553 2.0752 2.1055 2.1175 2.3936 2.4028 2.4302 2.4310 2.4762 2.5012 3.0201 3.0317 3.0433 3.0531 3.6601 3.6620 3.8151 3.8343 3.9098 3.9254 3.9796 4.0599 4.1002 4.1191 4.1636 4.2083 4.3021 4.3398 4.3568 4.4443 4.4778 4.4820 4.6439 4.6688 4.9601 5.0091 5.0103 5.0346 5.4099 5.4346 5.6849 5.7224 5.9164 5.9216 7.6504 7.6655 7.8374 7.8438 8.1001 8.1042 8.3154 8.3173 8.4249 8.4374 11.2929 11.2946 11.8038 11.8213 k = 0.2500 0.5000-0.0000 ( 5900 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7378 -31.7378 -31.7373 -31.7373 -7.0944 -7.0938 -6.6530 -6.6530 -6.4029 -6.4020 -6.3224 -6.3223 0.8096 0.8161 1.0435 1.0459 1.2953 1.3009 1.7852 1.7919 2.0241 2.0274 2.0524 2.0741 2.1059 2.1180 2.3819 2.3944 2.4340 2.4352 2.4724 2.4996 2.9953 3.0085 3.0195 3.0295 3.6644 3.6673 3.8185 3.8394 3.9100 3.9280 3.9852 4.0556 4.1015 4.1224 4.1692 4.2004 4.3162 4.3263 4.3727 4.4283 4.4945 4.5023 4.6451 4.6751 4.9440 4.9939 4.9942 5.0208 5.4334 5.4517 5.6673 5.7047 5.9423 5.9447 7.6613 7.6763 7.8530 7.8601 8.0866 8.0898 8.3314 8.3339 8.4352 8.4479 11.3239 11.3253 11.8613 11.8755 k = 0.2667 0.5000-0.0000 ( 5906 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7378 -31.7378 -31.7373 -31.7373 -7.0804 -7.0798 -6.6477 -6.6477 -6.4178 -6.4169 -6.3272 -6.3271 0.8243 0.8309 1.0444 1.0468 1.2861 1.2917 1.7979 1.8049 2.0176 2.0201 2.0505 2.0735 2.1064 2.1184 2.3678 2.3814 2.4405 2.4413 2.4696 2.4991 2.9709 2.9855 2.9957 3.0059 3.6680 3.6719 3.8222 3.8448 3.9103 3.9301 3.9911 4.0506 4.1042 4.1254 4.1745 4.1921 4.3140 4.3296 4.3893 4.4141 4.5103 4.5222 4.6464 4.6816 4.9273 4.9766 4.9788 5.0059 5.4529 5.4652 5.6501 5.6869 5.9715 5.9717 7.6712 7.6857 7.8704 7.8783 8.0725 8.0749 8.3484 8.3514 8.4451 8.4578 11.3548 11.3559 11.9101 11.9181 k = 0.2833 0.5000-0.0000 ( 5902 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7378 -31.7378 -31.7373 -31.7373 -7.0658 -7.0652 -6.6424 -6.6423 -6.4333 -6.4324 -6.3322 -6.3321 0.8395 0.8462 1.0452 1.0476 1.2760 1.2815 1.8119 1.8190 2.0110 2.0128 2.0495 2.0734 2.1070 2.1188 2.3523 2.3663 2.4469 2.4469 2.4686 2.5000 2.9469 2.9630 2.9720 2.9822 3.6711 3.6760 3.8262 3.8504 3.9106 3.9318 3.9975 4.0452 4.1080 4.1278 4.1798 4.1841 4.3038 4.3406 4.4036 4.4059 4.5251 4.5415 4.6479 4.6881 4.9100 4.9585 4.9632 4.9901 5.4688 5.4758 5.6334 5.6693 6.0013 6.0039 7.6800 7.6939 7.8891 7.8979 8.0583 8.0598 8.3660 8.3692 8.4545 8.4671 11.3852 11.3861 11.9377 11.9381 k = 0.3000 0.5000-0.0000 ( 5914 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7379 -31.7379 -31.7374 -31.7374 -7.0509 -7.0503 -6.6369 -6.6369 -6.4491 -6.4482 -6.3373 -6.3372 0.8554 0.8620 1.0460 1.0484 1.2650 1.2703 1.8270 1.8343 2.0043 2.0056 2.0493 2.0738 2.1076 2.1191 2.3357 2.3499 2.4505 2.4510 2.4714 2.5029 2.9235 2.9410 2.9487 2.9588 3.6738 3.6796 3.8304 3.8559 3.9108 3.9329 4.0040 4.0396 4.1122 4.1285 4.1772 4.1854 4.2957 4.3455 4.4004 4.4223 4.5391 4.5600 4.6495 4.6944 4.8923 4.9399 4.9475 4.9736 5.4815 5.4840 5.6174 5.6520 6.0332 6.0376 7.6878 7.7010 7.9089 7.9184 8.0445 8.0452 8.3837 8.3871 8.4633 8.4757 11.4149 11.4154 11.9295 11.9352 k = 0.3167 0.5000-0.0000 ( 5916 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7379 -31.7379 -31.7374 -31.7374 -7.0357 -7.0350 -6.6315 -6.6315 -6.4652 -6.4643 -6.3424 -6.3423 0.8717 0.8782 1.0468 1.0491 1.2531 1.2581 1.8433 1.8508 1.9978 1.9987 2.0500 2.0746 2.1083 2.1194 2.3183 2.3326 2.4506 2.4534 2.4785 2.5079 2.9008 2.9197 2.9260 2.9358 3.6762 3.6827 3.8348 3.8614 3.9110 3.9334 4.0106 4.0341 4.1162 4.1263 4.1730 4.1913 4.2896 4.3422 4.4069 4.4386 4.5522 4.5776 4.6512 4.7001 4.8743 4.9207 4.9319 4.9568 5.4903 5.4915 5.6024 5.6352 6.0664 6.0721 7.6947 7.7070 7.9290 7.9395 8.0313 8.0316 8.4011 8.4045 8.4714 8.4835 11.4434 11.4434 11.9018 11.9086 k = 0.3333 0.5000-0.0000 ( 5898 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7379 -31.7379 -31.7374 -31.7374 -7.0203 -7.0196 -6.6261 -6.6261 -6.4814 -6.4805 -6.3474 -6.3473 0.8884 0.8948 1.0476 1.0498 1.2404 1.2450 1.8608 1.8684 1.9914 1.9921 2.0515 2.0759 2.1091 2.1196 2.3002 2.3143 2.4492 2.4542 2.4877 2.5148 2.8789 2.8990 2.9042 2.9134 3.6785 3.6854 3.8395 3.8668 3.9110 3.9333 4.0173 4.0290 4.1196 4.1204 4.1726 4.1978 4.2851 4.3337 4.4197 4.4548 4.5648 4.5943 4.6530 4.7049 4.8562 4.9014 4.9167 4.9399 5.4951 5.4993 5.5886 5.6192 6.0997 6.1063 7.7009 7.7123 7.9486 7.9604 8.0186 8.0202 8.4181 8.4213 8.4787 8.4903 11.4700 11.4703 11.8649 11.8709 k = 0.3500 0.5000-0.0000 ( 5910 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7379 -31.7379 -31.7374 -31.7374 -7.0049 -7.0042 -6.6208 -6.6208 -6.4976 -6.4966 -6.3523 -6.3523 0.9055 0.9117 1.0483 1.0504 1.2268 1.2310 1.8794 1.8870 1.9854 1.9859 2.0537 2.0774 2.1099 2.1198 2.2814 2.2953 2.4474 2.4538 2.4978 2.5230 2.8580 2.8791 2.8833 2.8919 3.6805 3.6877 3.8444 3.8718 3.9110 3.9327 4.0239 4.0242 4.1116 4.1218 4.1752 4.2048 4.2821 4.3236 4.4355 4.4708 4.5769 4.6098 4.6546 4.7082 4.8380 4.8818 4.9019 4.9231 5.4988 5.5053 5.5760 5.6039 6.1325 6.1394 7.7063 7.7167 7.9661 7.9795 8.0083 8.0118 8.4342 8.4372 8.4853 8.4963 11.4947 11.4954 11.8249 11.8298 k = 0.3667 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7379 -31.7379 -31.7374 -31.7374 -6.9897 -6.9890 -6.6158 -6.6158 -6.5134 -6.5125 -6.3571 -6.3570 0.9230 0.9288 1.0490 1.0510 1.2125 1.2162 1.8989 1.9064 1.9798 1.9802 2.0564 2.0791 2.1108 2.1199 2.2619 2.2755 2.4456 2.4527 2.5082 2.5319 2.8382 2.8601 2.8638 2.8714 3.6825 3.6897 3.8495 3.8766 3.9107 3.9316 4.0202 4.0304 4.1014 4.1226 4.1798 4.2122 4.2802 4.3134 4.4529 4.4867 4.5885 4.6241 4.6562 4.7096 4.8201 4.8626 4.8879 4.9069 5.5015 5.5098 5.5649 5.5897 6.1639 6.1708 7.7111 7.7204 7.9762 7.9876 8.0094 8.0113 8.4492 8.4520 8.4911 8.5013 11.5173 11.5184 11.7850 11.7888 k = 0.3833 0.5000-0.0000 ( 5916 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7379 -31.7379 -31.7374 -31.7374 -6.9749 -6.9743 -6.6111 -6.6110 -6.5288 -6.5279 -6.3616 -6.3615 0.9407 0.9462 1.0496 1.0514 1.1975 1.2007 1.9193 1.9267 1.9747 1.9751 2.0595 2.0808 2.1118 2.1200 2.2419 2.2552 2.4440 2.4512 2.5188 2.5410 2.8199 2.8423 2.8457 2.8521 3.6844 3.6914 3.8548 3.8809 3.9103 3.9301 4.0169 4.0366 4.0907 4.1219 4.1856 4.2199 4.2790 4.3035 4.4712 4.5025 4.5999 4.6369 4.6576 4.7086 4.8025 4.8440 4.8749 4.8915 5.5035 5.5132 5.5554 5.5766 6.1931 6.1998 7.7153 7.7236 7.9753 7.9812 8.0220 8.0249 8.4630 8.4654 8.4961 8.5054 11.5377 11.5391 11.7470 11.7499 k = 0.4000 0.5000-0.0000 ( 5920 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7374 -31.7374 -6.9608 -6.9602 -6.6067 -6.6066 -6.5434 -6.5425 -6.3657 -6.3657 0.9587 0.9637 1.0502 1.0518 1.1820 1.1845 1.9403 1.9473 1.9703 1.9709 2.0629 2.0824 2.1129 2.1199 2.2214 2.2343 2.4427 2.4495 2.5292 2.5499 2.8034 2.8258 2.8292 2.8343 3.6862 3.6927 3.8601 3.8848 3.9098 3.9281 4.0146 4.0424 4.0805 4.1198 4.1922 4.2274 4.2784 4.2943 4.4902 4.5182 4.6111 4.6465 4.6602 4.7046 4.7857 4.8263 4.8632 4.8774 5.5048 5.5157 5.5477 5.5648 6.2197 6.2258 7.7190 7.7261 7.9699 7.9734 8.0371 8.0416 8.4754 8.4772 8.5005 8.5086 11.5557 11.5572 11.7122 11.7143 k = 0.4167 0.5000-0.0000 ( 5904 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7374 -31.7374 -6.9478 -6.9472 -6.6029 -6.6028 -6.5568 -6.5560 -6.3694 -6.3694 0.9767 0.9812 1.0507 1.0522 1.1660 1.1679 1.9603 1.9629 1.9680 1.9729 2.0664 2.0839 2.1140 2.1198 2.2004 2.2131 2.4417 2.4478 2.5393 2.5582 2.7890 2.8110 2.8146 2.8180 3.6879 3.6938 3.8655 3.8882 3.9092 3.9259 4.0133 4.0469 4.0719 4.1164 4.1993 4.2343 4.2780 4.2861 4.5096 4.5339 4.6220 4.6491 4.6673 4.6976 4.7701 4.8099 4.8532 4.8650 5.5057 5.5172 5.5417 5.5545 6.2432 6.2485 7.7222 7.7282 7.9642 7.9665 8.0519 8.0567 8.4861 8.4873 8.5044 8.5111 11.5711 11.5727 11.6815 11.6830 k = 0.4333 0.5000-0.0000 ( 5900 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7374 -31.7374 -6.9362 -6.9357 -6.5997 -6.5995 -6.5686 -6.5679 -6.3726 -6.3726 0.9948 0.9987 1.0512 1.0525 1.1498 1.1510 1.9618 1.9619 1.9852 1.9925 2.0698 2.0849 2.1151 2.1195 2.1793 2.1916 2.4410 2.4462 2.5489 2.5654 2.7773 2.7979 2.8021 2.8038 3.6895 3.6945 3.8707 3.8908 3.9088 3.9235 4.0132 4.0476 4.0678 4.1120 4.2065 4.2399 4.2776 4.2789 4.5295 4.5493 4.6321 4.6463 4.6769 4.6878 4.7561 4.7947 4.8450 4.8545 5.5062 5.5179 5.5374 5.5458 6.2630 6.2674 7.7249 7.7297 7.9592 7.9607 8.0652 8.0696 8.4950 8.4954 8.5078 8.5128 11.5839 11.5854 11.6556 11.6566 k = 0.4500 0.5000-0.0000 ( 5900 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7374 -31.7374 -6.9264 -6.9260 -6.5973 -6.5971 -6.5783 -6.5776 -6.3752 -6.3752 1.0125 1.0157 1.0517 1.0528 1.1335 1.1340 1.9594 1.9595 2.0071 2.0138 2.0730 2.0856 2.1161 2.1189 2.1582 2.1703 2.4406 2.4447 2.5575 2.5711 2.7686 2.7863 2.7919 2.7922 3.6910 3.6949 3.8757 3.8923 3.9087 3.9209 4.0141 4.0429 4.0701 4.1068 4.2139 4.2434 4.2737 4.2770 4.5495 4.5645 4.6400 4.6403 4.6772 4.6857 4.7445 4.7806 4.8389 4.8461 5.5068 5.5175 5.5345 5.5392 6.2789 6.2823 7.7271 7.7308 7.9552 7.9562 8.0763 8.0799 8.5014 8.5020 8.5109 8.5140 11.5940 11.5953 11.6350 11.6356 k = 0.4667 0.5000-0.0000 ( 5892 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7374 -31.7374 -6.9190 -6.9187 -6.5960 -6.5958 -6.5851 -6.5846 -6.3771 -6.3771 1.0293 1.0316 1.0522 1.0533 1.1176 1.1177 1.9576 1.9577 2.0286 2.0342 2.0758 2.0858 2.1168 2.1178 2.1384 2.1500 2.4406 2.4434 2.5650 2.5747 2.7632 2.7764 2.7841 2.7843 3.6922 3.6949 3.8805 3.8923 3.9095 3.9182 4.0162 4.0362 4.0754 4.1009 4.2212 4.2435 4.2712 4.2760 4.5695 4.5793 4.6320 4.6398 4.6722 4.6912 4.7375 4.7674 4.8350 4.8399 5.5076 5.5159 5.5327 5.5349 6.2906 6.2929 7.7289 7.7313 7.9523 7.9530 8.0847 8.0872 8.5054 8.5066 8.5137 8.5149 11.6012 11.6022 11.6201 11.6204 k = 0.4833 0.5000-0.0000 ( 5896 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7374 -31.7374 -6.9143 -6.9141 -6.5961 -6.5960 -6.5884 -6.5880 -6.3783 -6.3783 1.0430 1.0439 1.0536 1.0549 1.1034 1.1038 1.9565 1.9566 2.0476 2.0511 2.0782 2.0851 2.1146 2.1152 2.1251 2.1332 2.4409 2.4423 2.5708 2.5758 2.7615 2.7684 2.7793 2.7795 3.6933 3.6946 3.8847 3.8909 3.9110 3.9156 4.0196 4.0297 4.0816 4.0946 4.2282 4.2402 4.2714 4.2746 4.5888 4.5931 4.6219 4.6283 4.6768 4.6906 4.7378 4.7553 4.8333 4.8358 5.5090 5.5135 5.5319 5.5326 6.2979 6.2991 7.7302 7.7314 7.9507 7.9510 8.0901 8.0914 8.5078 8.5088 8.5155 8.5158 11.6051 11.6058 11.6115 11.6115 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7374 -31.7374 -6.9126 -6.9126 -6.5966 -6.5966 -6.5889 -6.5889 -6.3787 -6.3787 1.0478 1.0478 1.0567 1.0567 1.0970 1.0970 1.9562 1.9562 2.0577 2.0577 2.0816 2.0816 2.1112 2.1112 2.1248 2.1248 2.4414 2.4414 2.5745 2.5745 2.7633 2.7633 2.7778 2.7778 3.6941 3.6941 3.8882 3.8882 3.9131 3.9131 4.0241 4.0241 4.0881 4.0881 4.2347 4.2347 4.2729 4.2729 4.6020 4.6020 4.6155 4.6155 4.6845 4.6845 4.7447 4.7447 4.8335 4.8335 5.5110 5.5110 5.5318 5.5318 6.3007 6.3007 7.7311 7.7311 7.9502 7.9502 8.0924 8.0924 8.5090 8.5090 8.5162 8.5162 11.6056 11.6056 11.6097 11.6097 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7374 -31.7374 -6.9126 -6.9126 -6.5966 -6.5966 -6.5889 -6.5889 -6.3787 -6.3787 1.0478 1.0478 1.0567 1.0567 1.0970 1.0970 1.9562 1.9562 2.0577 2.0577 2.0816 2.0816 2.1112 2.1112 2.1248 2.1248 2.4414 2.4414 2.5745 2.5745 2.7633 2.7633 2.7778 2.7778 3.6941 3.6941 3.8882 3.8882 3.9131 3.9131 4.0241 4.0241 4.0881 4.0881 4.2347 4.2347 4.2729 4.2729 4.6020 4.6020 4.6155 4.6155 4.6845 4.6845 4.7447 4.7447 4.8335 4.8335 5.5110 5.5110 5.5318 5.5318 6.3007 6.3007 7.7311 7.7311 7.9502 7.9502 8.0924 8.0924 8.5090 8.5090 8.5162 8.5162 11.6056 11.6056 11.6097 11.6097 k = 0.4881 0.4881-0.0000 ( 5896 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7374 -31.7374 -6.9143 -6.9142 -6.5960 -6.5959 -6.5885 -6.5882 -6.3783 -6.3783 1.0436 1.0439 1.0531 1.0544 1.1036 1.1041 1.9565 1.9565 2.0478 2.0507 2.0770 2.0860 2.1150 2.1152 2.1267 2.1317 2.4408 2.4423 2.5708 2.5758 2.7615 2.7682 2.7793 2.7799 3.6933 3.6946 3.8846 3.8910 3.9110 3.9156 4.0195 4.0298 4.0815 4.0946 4.2281 4.2403 4.2712 4.2748 4.5898 4.5915 4.6228 4.6279 4.6766 4.6906 4.7377 4.7554 4.8333 4.8358 5.5090 5.5136 5.5319 5.5326 6.2979 6.2990 7.7302 7.7314 7.9507 7.9510 8.0901 8.0914 8.5075 8.5089 8.5155 8.5159 11.6030 11.6033 11.6137 11.6141 k = 0.4762 0.4762-0.0000 ( 5886 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7374 -31.7374 -6.9192 -6.9189 -6.5943 -6.5940 -6.5867 -6.5861 -6.3771 -6.3771 1.0313 1.0329 1.0494 1.0503 1.1188 1.1190 1.9575 1.9577 2.0287 2.0333 2.0713 2.0876 2.1185 2.1245 2.1401 2.1434 2.4406 2.4435 2.5654 2.5747 2.7629 2.7735 2.7842 2.7874 3.6922 3.6949 3.8802 3.8929 3.9091 3.9183 4.0161 4.0364 4.0756 4.1008 4.2207 4.2444 4.2692 4.2777 4.5708 4.5765 4.6346 4.6389 4.6716 4.6911 4.7377 4.7679 4.8350 4.8400 5.5074 5.5166 5.5331 5.5342 6.2904 6.2928 7.7289 7.7313 7.9524 7.9530 8.0846 8.0871 8.5033 8.5068 8.5145 8.5159 11.5910 11.5915 11.6304 11.6313 k = 0.4643 0.4643-0.0000 ( 5894 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7374 -31.7374 -6.9270 -6.9266 -6.5916 -6.5913 -6.5836 -6.5827 -6.3751 -6.3751 1.0163 1.0188 1.0450 1.0456 1.1370 1.1373 1.9586 1.9597 2.0064 2.0128 2.0652 2.0857 2.1245 2.1338 2.1563 2.1582 2.4405 2.4450 2.5594 2.5717 2.7663 2.7778 2.7932 2.8008 3.6909 3.6949 3.8752 3.8941 3.9076 3.9208 4.0136 4.0431 4.0711 4.1061 4.2126 4.2462 4.2668 4.2823 4.5508 4.5607 4.6392 4.6449 4.6753 4.6852 4.7453 4.7819 4.8386 4.8459 5.5065 5.5198 5.5352 5.5366 6.2786 6.2820 7.7271 7.7308 7.9552 7.9562 8.0761 8.0797 8.4956 8.5010 8.5146 8.5169 11.5712 11.5719 11.6585 11.6596 k = 0.4524 0.4524-0.0000 ( 5910 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7374 -31.7374 -6.9375 -6.9370 -6.5883 -6.5879 -6.5791 -6.5779 -6.3725 -6.3724 1.0006 1.0037 1.0391 1.0396 1.1567 1.1575 1.9579 1.9616 1.9835 1.9932 2.0594 2.0820 2.1330 2.1426 2.1723 2.1735 2.4408 2.4468 2.5540 2.5681 2.7704 2.7823 2.8066 2.8180 3.6895 3.6945 3.8699 3.8947 3.9061 3.9230 4.0119 4.0476 4.0703 4.1104 4.2038 4.2455 4.2640 4.2893 4.5306 4.5444 4.6313 4.6526 4.6767 4.6849 4.7578 4.7973 4.8439 4.8534 5.5061 5.5233 5.5383 5.5397 6.2626 6.2671 7.7249 7.7298 7.9592 7.9607 8.0651 8.0695 8.4849 8.4919 8.5156 8.5185 11.5445 11.5454 11.6971 11.6982 k = 0.4405 0.4405-0.0000 ( 5912 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7374 -31.7374 -6.9504 -6.9499 -6.5844 -6.5839 -6.5733 -6.5719 -6.3692 -6.3691 0.9847 0.9883 1.0317 1.0322 1.1778 1.1792 1.9483 1.9527 1.9714 1.9823 2.0541 2.0778 2.1429 2.1515 2.1869 2.1878 2.4413 2.4491 2.5503 2.5649 2.7751 2.7875 2.8235 2.8376 3.6880 3.6939 3.8644 3.8951 3.9048 3.9248 4.0111 4.0476 4.0755 4.1134 4.1946 4.2424 4.2610 4.2984 4.5105 4.5280 4.6209 4.6536 4.6715 4.6946 4.7731 4.8140 4.8510 4.8624 5.5062 5.5270 5.5422 5.5434 6.2429 6.2484 7.7223 7.7284 7.9640 7.9663 8.0519 8.0568 8.4717 8.4801 8.5171 8.5203 11.5117 11.5127 11.7451 11.7460 k = 0.4286 0.4286-0.0000 ( 5920 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7379 -31.7379 -31.7374 -31.7374 -6.9654 -6.9649 -6.5800 -6.5793 -6.5665 -6.5648 -6.3653 -6.3652 0.9686 0.9726 1.0227 1.0231 1.2000 1.2020 1.9277 1.9287 1.9748 1.9825 2.0492 2.0736 2.1537 2.1605 2.1996 2.2002 2.4422 2.4519 2.5489 2.5632 2.7805 2.7935 2.8431 2.8588 3.6864 3.6930 3.8588 3.8952 3.9034 3.9261 4.0108 4.0449 4.0844 4.1151 4.1850 4.2376 4.2581 4.3094 4.4908 4.5115 4.6098 4.6448 4.6737 4.7026 4.7901 4.8321 4.8597 4.8725 5.5067 5.5312 5.5465 5.5476 6.2199 6.2262 7.7193 7.7265 7.9694 7.9728 8.0373 8.0421 8.4562 8.4660 8.5188 8.5223 11.4734 11.4746 11.8011 11.8015 k = 0.4167 0.4167-0.0000 ( 5914 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7379 -31.7379 -31.7374 -31.7374 -6.9822 -6.9816 -6.5748 -6.5741 -6.5588 -6.5571 -6.3610 -6.3608 0.9523 0.9567 1.0121 1.0126 1.2234 1.2259 1.9026 1.9031 1.9808 1.9872 2.0448 2.0695 2.1653 2.1699 2.2102 2.2105 2.4436 2.4551 2.5506 2.5638 2.7865 2.8003 2.8645 2.8812 3.6849 3.6918 3.8534 3.8952 3.9019 3.9271 4.0111 4.0417 4.0940 4.1156 4.1752 4.2311 4.2557 4.3217 4.4719 4.4952 4.5984 4.6326 4.6775 4.7086 4.8085 4.8511 4.8699 4.8837 5.5074 5.5359 5.5509 5.5524 6.1942 6.2012 7.7161 7.7244 7.9744 7.9801 8.0227 8.0260 8.4389 8.4500 8.5205 8.5243 11.4305 11.4317 11.8630 11.8636 k = 0.4048 0.4048-0.0000 ( 5928 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7379 -31.7379 -31.7374 -31.7374 -7.0005 -6.9999 -6.5691 -6.5682 -6.5506 -6.5487 -6.3563 -6.3561 0.9357 0.9404 1.0000 1.0005 1.2478 1.2508 1.8759 1.8770 1.9881 1.9938 2.0409 2.0656 2.1774 2.1795 2.2183 2.2185 2.4453 2.4588 2.5557 2.5673 2.7933 2.8078 2.8873 2.9045 3.6834 3.6904 3.8479 3.8951 3.9002 3.9276 4.0118 4.0388 4.1028 4.1149 4.1652 4.2232 4.2545 4.3344 4.4543 4.4789 4.5871 4.6194 4.6808 4.7125 4.8277 4.8697 4.8825 4.8956 5.5080 5.5413 5.5550 5.5576 6.1664 6.1739 7.7125 7.7219 7.9756 7.9866 8.0103 8.0116 8.4201 8.4324 8.5220 8.5260 11.3835 11.3847 11.9283 11.9302 k = 0.3929 0.3929-0.0000 ( 5926 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7379 -31.7379 -31.7374 -31.7374 -7.0200 -7.0194 -6.5627 -6.5616 -6.5419 -6.5399 -6.3514 -6.3511 0.9187 0.9237 0.9864 0.9870 1.2731 1.2766 1.8489 1.8503 1.9966 2.0016 2.0375 2.0619 2.1894 2.1901 2.2239 2.2245 2.4476 2.4631 2.5644 2.5739 2.8008 2.8161 2.9110 2.9282 3.6821 3.6888 3.8425 3.8950 3.8985 3.9278 4.0128 4.0363 4.1093 4.1134 4.1553 4.2140 4.2552 4.3462 4.4394 4.4630 4.5760 4.6057 4.6835 4.7147 4.8474 4.8854 4.8997 4.9085 5.5082 5.5473 5.5584 5.5633 6.1373 6.1450 7.7088 7.7192 7.9674 7.9822 8.0053 8.0100 8.4003 8.4136 8.5232 8.5274 11.3329 11.3340 11.9945 11.9982 k = 0.3810 0.3810-0.0000 ( 5924 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7379 -31.7379 -31.7374 -31.7374 -7.0404 -7.0399 -6.5557 -6.5545 -6.5328 -6.5308 -6.3463 -6.3460 0.9013 0.9064 0.9715 0.9721 1.2993 1.3033 1.8217 1.8232 2.0060 2.0099 2.0349 2.0585 2.1996 2.2032 2.2278 2.2288 2.4503 2.4679 2.5765 2.5838 2.8090 2.8251 2.9353 2.9523 3.6810 3.6870 3.8371 3.8948 3.8966 3.9278 4.0141 4.0343 4.1113 4.1126 4.1458 4.2037 4.2585 4.3543 4.4296 4.4475 4.5651 4.5918 4.6855 4.7154 4.8670 4.8982 4.9208 4.9224 5.5075 5.5530 5.5616 5.5694 6.1075 6.1154 7.7049 7.7163 7.9517 7.9652 8.0131 8.0159 8.3797 8.3940 8.5240 8.5283 11.2790 11.2800 12.0577 12.0635 k = 0.3690 0.3690-0.0000 ( 5932 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7379 -31.7379 -31.7374 -31.7374 -7.0617 -7.0612 -6.5480 -6.5468 -6.5234 -6.5214 -6.3411 -6.3408 0.8834 0.8887 0.9551 0.9558 1.3264 1.3308 1.7944 1.7958 2.0162 2.0176 2.0338 2.0552 2.2096 2.2159 2.2310 2.2323 2.4535 2.4731 2.5919 2.5968 2.8179 2.8346 2.9598 2.9766 3.6801 3.6850 3.8316 3.8945 3.8947 3.9277 4.0156 4.0327 4.1088 4.1119 4.1367 4.1922 4.2648 4.3547 4.4288 4.4326 4.5543 4.5777 4.6871 4.7149 4.8858 4.9102 4.9378 4.9436 5.5052 5.5556 5.5668 5.5762 6.0780 6.0857 7.7010 7.7132 7.9333 7.9458 8.0235 8.0249 8.3590 8.3740 8.5242 8.5287 11.2222 11.2231 12.1132 12.1209 k = 0.3571 0.3571-0.0000 ( 5926 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7378 -31.7378 -31.7374 -31.7374 -7.0836 -7.0831 -6.5398 -6.5384 -6.5138 -6.5117 -6.3360 -6.3356 0.8650 0.8703 0.9375 0.9383 1.3541 1.3590 1.7671 1.7684 2.0216 2.0269 2.0370 2.0521 2.2184 2.2256 2.2353 2.2386 2.4573 2.4788 2.6101 2.6127 2.8274 2.8447 2.9846 3.0008 3.6794 3.6829 3.8262 3.8923 3.8945 3.9275 4.0171 4.0315 4.1061 4.1073 4.1284 4.1799 4.2735 4.3469 4.4188 4.4373 4.5436 4.5635 4.6884 4.7136 4.9030 4.9217 4.9553 4.9675 5.5007 5.5537 5.5751 5.5838 6.0495 6.0569 7.6972 7.7101 7.9141 7.9258 8.0347 8.0350 8.3385 8.3539 8.5238 8.5284 11.1628 11.1634 12.1237 12.1339 k = 0.3452 0.3452-0.0000 ( 5914 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7378 -31.7378 -31.7374 -31.7374 -7.1060 -7.1055 -6.5311 -6.5296 -6.5040 -6.5019 -6.3309 -6.3305 0.8460 0.8513 0.9187 0.9195 1.3825 1.3877 1.7399 1.7410 2.0213 2.0376 2.0447 2.0491 2.2243 2.2296 2.2432 2.2509 2.4616 2.4850 2.6307 2.6311 2.8376 2.8554 3.0093 3.0249 3.6789 3.6805 3.8207 3.8901 3.8942 3.9274 4.0186 4.0306 4.0993 4.1033 4.1206 4.1668 4.2835 4.3344 4.4069 4.4512 4.5330 4.5493 4.6897 4.7119 4.9180 4.9327 4.9754 4.9921 5.4934 5.5480 5.5851 5.5923 6.0229 6.0298 7.6934 7.7070 7.8947 7.9059 8.0454 8.0461 8.3187 8.3343 8.5227 8.5273 11.1008 11.1012 12.0751 12.0856 k = 0.3333 0.3333-0.0000 ( 5932 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7378 -31.7378 -31.7373 -31.7373 -7.1286 -7.1282 -6.5219 -6.5203 -6.4941 -6.4919 -6.3260 -6.3256 0.8264 0.8317 0.8987 0.8997 1.4113 1.4168 1.7129 1.7137 2.0194 2.0460 2.0481 2.0534 2.2282 2.2320 2.2544 2.2659 2.4663 2.4916 2.6518 2.6535 2.8483 2.8665 3.0339 3.0487 3.6779 3.6785 3.8152 3.8878 3.8938 3.9274 4.0197 4.0298 4.0887 4.1005 4.1135 4.1533 4.2925 4.3199 4.3979 4.4671 4.5222 4.5356 4.6911 4.7098 4.9307 4.9431 4.9979 5.0173 5.4827 5.5384 5.5961 5.6017 5.9987 6.0052 7.6898 7.7040 7.8754 7.8861 8.0556 8.0574 8.3001 8.3156 8.5208 8.5255 11.0366 11.0366 12.0268 12.0372 k = 0.3214 0.3214-0.0000 ( 5910 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7377 -31.7377 -31.7373 -31.7373 -7.1515 -7.1511 -6.5122 -6.5105 -6.4840 -6.4818 -6.3214 -6.3209 0.8063 0.8115 0.8778 0.8788 1.4405 1.4462 1.6862 1.6867 2.0172 2.0432 2.0573 2.0613 2.2328 2.2354 2.2675 2.2820 2.4717 2.4985 2.6745 2.6781 2.8595 2.8782 3.0582 3.0722 3.6751 3.6781 3.8100 3.8855 3.8932 3.9279 4.0203 4.0290 4.0760 4.0977 4.1077 4.1400 4.2983 4.3049 4.3942 4.4817 4.5112 4.5241 4.6928 4.7079 4.9415 4.9529 5.0226 5.0434 5.4683 5.5248 5.6081 5.6121 5.9775 5.9835 7.6866 7.7011 7.8566 7.8668 8.0650 8.0681 8.2835 8.2983 8.5181 8.5228 10.9699 10.9702 11.9795 11.9896 k = 0.3095 0.3095-0.0000 ( 5914 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7377 -31.7377 -31.7373 -31.7373 -7.1744 -7.1740 -6.5020 -6.5003 -6.4738 -6.4716 -6.3170 -6.3165 0.7858 0.7908 0.8560 0.8571 1.4697 1.4755 1.6600 1.6600 2.0148 2.0403 2.0649 2.0677 2.2393 2.2409 2.2817 2.2987 2.4774 2.5057 2.6988 2.7041 2.8713 2.8903 3.0819 3.0952 3.6720 3.6774 3.8052 3.8831 3.8924 3.9289 4.0198 4.0280 4.0614 4.0943 4.1031 4.1279 4.2899 4.2984 4.3972 4.4869 4.4998 4.5221 4.6950 4.7063 4.9508 4.9620 5.0489 5.0700 5.4501 5.5072 5.6208 5.6234 5.9595 5.9651 7.6836 7.6984 7.8382 7.8479 8.0730 8.0777 8.2694 8.2830 8.5145 8.5192 10.9011 10.9017 11.9337 11.9433 k = 0.2976 0.2976-0.0000 ( 5912 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7377 -31.7377 -31.7373 -31.7373 -7.1972 -7.1969 -6.4916 -6.4898 -6.4635 -6.4614 -6.3128 -6.3123 0.7648 0.7697 0.8334 0.8346 1.4988 1.5043 1.6340 1.6347 2.0123 2.0373 2.0704 2.0720 2.2484 2.2492 2.2967 2.3161 2.4835 2.5131 2.7246 2.7315 2.8836 2.9028 3.1052 3.1177 3.6686 3.6762 3.8012 3.8806 3.8913 3.9304 4.0176 4.0268 4.0453 4.0900 4.1001 4.1182 4.2753 4.2929 4.4064 4.4780 4.4881 4.5341 4.6978 4.7054 4.9589 4.9703 5.0766 5.0974 5.4285 5.4857 5.6342 5.6354 5.9446 5.9499 7.6810 7.6959 7.8204 7.8296 8.0788 8.0854 8.2586 8.2705 8.5101 8.5148 10.8304 10.8314 11.8897 11.8987 k = 0.2857 0.2857-0.0000 ( 5912 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7377 -31.7377 -31.7373 -31.7373 -7.2199 -7.2196 -6.4808 -6.4789 -6.4531 -6.4510 -6.3090 -6.3085 0.7435 0.7482 0.8101 0.8113 1.5268 1.5312 1.6094 1.6116 2.0097 2.0343 2.0733 2.0740 2.2603 2.2605 2.3126 2.3338 2.4900 2.5207 2.7517 2.7600 2.8965 2.9158 3.1278 3.1394 3.6648 3.6742 3.7982 3.8780 3.8899 3.9326 4.0128 4.0243 4.0291 4.0848 4.0986 4.1120 4.2611 4.2837 4.4195 4.4637 4.4763 4.5509 4.7013 4.7052 4.9660 4.9779 5.1056 5.1255 5.4038 5.4607 5.6479 5.6480 5.9325 5.9377 7.6788 7.6936 7.8033 7.8120 8.0820 8.0908 8.2518 8.2615 8.5048 8.5094 10.7579 10.7593 11.8476 11.8559 k = 0.2738 0.2738-0.0000 ( 5906 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7376 -31.7376 -31.7373 -31.7373 -7.2423 -7.2421 -6.4698 -6.4679 -6.4428 -6.4407 -6.3056 -6.3050 0.7219 0.7264 0.7863 0.7876 1.5492 1.5494 1.5907 1.5975 2.0071 2.0313 2.0739 2.0739 2.2748 2.2750 2.3290 2.3520 2.4968 2.5284 2.7799 2.7893 2.9099 2.9293 3.1496 3.1604 3.6605 3.6711 3.7967 3.8751 3.8883 3.9356 4.0047 4.0090 4.0248 4.0800 4.0985 4.1087 4.2477 4.2724 4.4324 4.4479 4.4667 4.5685 4.7056 4.7061 4.9724 4.9849 5.1357 5.1544 5.3767 5.4330 5.6610 5.6619 5.9229 5.9281 7.6771 7.6916 7.7870 7.7951 8.0822 8.0932 8.2492 8.2565 8.4988 8.5033 10.6838 10.6855 11.8078 11.8153 k = 0.2619 0.2619-0.0000 ( 5902 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7376 -31.7376 -31.7373 -31.7373 -7.2644 -7.2642 -6.4585 -6.4566 -6.4324 -6.4304 -6.3024 -6.3018 0.7002 0.7045 0.7620 0.7634 1.5426 1.5454 1.5984 1.6086 2.0044 2.0282 2.0721 2.0724 2.2917 2.2920 2.3461 2.3705 2.5039 2.5361 2.8090 2.8194 2.9238 2.9432 3.1705 3.1805 3.6558 3.6667 3.7970 3.8718 3.8863 3.9393 3.9903 3.9933 4.0231 4.0768 4.0997 4.1072 4.2353 4.2601 4.4315 4.4349 4.4684 4.5861 4.7080 4.7108 4.9782 4.9911 5.1667 5.1838 5.3479 5.4031 5.6741 5.6760 5.9152 5.9203 7.6757 7.6899 7.7714 7.7790 8.0799 8.0927 8.2505 8.2556 8.4919 8.4963 10.6081 10.6102 11.7703 11.7769 k = 0.2500 0.2500-0.0000 ( 5914 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7376 -31.7376 -31.7373 -31.7373 -7.2861 -7.2858 -6.4472 -6.4453 -6.4221 -6.4201 -6.2996 -6.2990 0.6785 0.6826 0.7375 0.7390 1.5223 1.5244 1.6235 1.6332 2.0016 2.0251 2.0688 2.0693 2.3106 2.3108 2.3636 2.3892 2.5112 2.5438 2.8388 2.8501 2.9382 2.9575 3.1905 3.1997 3.6504 3.6608 3.7992 3.8675 3.8837 3.9434 3.9713 3.9797 4.0217 4.0752 4.1018 4.1066 4.2239 4.2474 4.4147 4.4244 4.4832 4.6033 4.7110 4.7170 4.9834 4.9967 5.1985 5.2136 5.3183 5.3718 5.6872 5.6899 5.9089 5.9140 7.6747 7.6882 7.7566 7.7637 8.0759 8.0898 8.2551 8.2583 8.4843 8.4886 10.5311 10.5335 11.7353 11.7410 k = 0.2381 0.2381-0.0000 ( 5894 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7375 -31.7375 -31.7373 -31.7373 -7.3072 -7.3070 -6.4357 -6.4338 -6.4118 -6.4099 -6.2971 -6.2965 0.6569 0.6607 0.7129 0.7144 1.4997 1.5013 1.6509 1.6603 1.9989 2.0219 2.0645 2.0650 2.3309 2.3310 2.3816 2.4080 2.5187 2.5514 2.8693 2.8813 2.9534 2.9723 3.2094 3.2178 3.6446 3.6536 3.8031 3.8621 3.8804 3.9451 3.9559 3.9653 4.0205 4.0748 4.1050 4.1066 4.2141 4.2347 4.3977 4.4101 4.5021 4.6198 4.7152 4.7243 4.9884 5.0018 5.2310 5.2416 5.2906 5.3398 5.7000 5.7035 5.9036 5.9085 7.6740 7.6867 7.7427 7.7493 8.0711 8.0855 8.2620 8.2638 8.4762 8.4803 10.4529 10.4555 11.7029 11.7077 k = 0.2262 0.2262-0.0000 ( 5890 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7375 -31.7375 -31.7372 -31.7372 -7.3277 -7.3276 -6.4243 -6.4224 -6.4017 -6.3998 -6.2950 -6.2943 0.6355 0.6391 0.6882 0.6898 1.4768 1.4780 1.6783 1.6875 1.9961 2.0187 2.0595 2.0598 2.3518 2.3523 2.3999 2.4268 2.5263 2.5589 2.9001 2.9127 2.9691 2.9877 3.2272 3.2349 3.6380 3.6451 3.8087 3.8546 3.8752 3.9320 3.9515 3.9572 4.0195 4.0746 4.1068 4.1087 4.2059 4.2222 4.3807 4.3944 4.5222 4.6357 4.7205 4.7326 4.9929 5.0063 5.2457 5.2631 5.2873 5.3087 5.7124 5.7166 5.8988 5.9035 7.6735 7.6851 7.7295 7.7357 8.0667 8.0808 8.2703 8.2711 8.4674 8.4714 10.3737 10.3763 11.6731 11.6770 k = 0.2143 0.2143-0.0000 ( 5886 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7375 -31.7375 -31.7372 -31.7372 -7.3476 -7.3475 -6.4129 -6.4110 -6.3917 -6.3899 -6.2931 -6.2925 0.6144 0.6177 0.6638 0.6653 1.4543 1.4552 1.7053 1.7143 1.9934 2.0155 2.0541 2.0541 2.3731 2.3743 2.4183 2.4454 2.5340 2.5662 2.9312 2.9442 2.9857 3.0036 3.2438 3.2508 3.6308 3.6356 3.8153 3.8445 3.8664 3.9177 3.9396 3.9634 4.0189 4.0740 4.1075 4.1130 4.1996 4.2101 4.3639 4.3782 4.5430 4.6509 4.7268 4.7419 4.9972 5.0102 5.2195 5.2691 5.3043 5.3155 5.7241 5.7289 5.8942 5.8987 7.6729 7.6834 7.7172 7.7229 8.0633 8.0767 8.2793 8.2794 8.4583 8.4621 10.2935 10.2962 11.6460 11.6490 k = 0.2024 0.2024-0.0000 ( 5888 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7374 -31.7374 -31.7372 -31.7372 -7.3668 -7.3667 -6.4016 -6.3998 -6.3820 -6.3802 -6.2915 -6.2909 0.5937 0.5969 0.6396 0.6411 1.4323 1.4330 1.7315 1.7404 1.9907 2.0122 2.0480 2.0484 2.3945 2.3963 2.4367 2.4637 2.5417 2.5732 2.9622 2.9756 3.0030 3.0201 3.2593 3.2655 3.6231 3.6252 3.8206 3.8333 3.8523 3.9077 3.9304 3.9705 4.0187 4.0723 4.1088 4.1177 4.1954 4.1986 4.3471 4.3617 4.5642 4.6655 4.7341 4.7522 5.0011 5.0135 5.1902 5.2394 5.3367 5.3480 5.7349 5.7403 5.8896 5.8937 7.6722 7.6814 7.7058 7.7110 8.0618 8.0741 8.2881 8.2884 8.4489 8.4525 10.2125 10.2153 11.6215 11.6237 k = 0.1905 0.1905-0.0000 ( 5878 PWs) bands (ev): -58.1133 -58.1133 -32.5602 -32.5602 -31.7374 -31.7374 -31.7372 -31.7372 -7.3852 -7.3851 -6.3905 -6.3887 -6.3724 -6.3707 -6.2902 -6.2896 0.5737 0.5765 0.6158 0.6174 1.4111 1.4117 1.7569 1.7656 1.9880 2.0090 2.0419 2.0426 2.4157 2.4183 2.4551 2.4816 2.5495 2.5800 2.9929 3.0068 3.0215 3.0371 3.2735 3.2791 3.6141 3.6147 3.8103 3.8336 3.8352 3.9020 3.9244 3.9779 4.0190 4.0691 4.1109 4.1225 4.1878 4.1932 4.3308 4.3453 4.5859 4.6796 4.7422 4.7634 5.0049 5.0162 5.1614 5.2082 5.3717 5.3816 5.7447 5.7506 5.8848 5.8884 7.6712 7.6789 7.6952 7.6999 8.0626 8.0735 8.2967 8.2972 8.4392 8.4426 10.1311 10.1338 11.5998 11.6012 k = 0.1786 0.1786-0.0000 ( 5880 PWs) bands (ev): -58.1133 -58.1133 -32.5602 -32.5602 -31.7374 -31.7374 -31.7372 -31.7372 -7.4027 -7.4027 -6.3797 -6.3780 -6.3632 -6.3615 -6.2891 -6.2885 0.5542 0.5569 0.5926 0.5942 1.3906 1.3911 1.7812 1.7897 1.9854 2.0057 2.0357 2.0368 2.4364 2.4398 2.4734 2.4988 2.5572 2.5864 3.0224 3.0377 3.0417 3.0548 3.2865 3.2915 3.6026 3.6057 3.7910 3.8119 3.8436 3.8988 3.9211 3.9852 4.0199 4.0644 4.1140 4.1273 4.1778 4.1927 4.3147 4.3291 4.6079 4.6931 4.7510 4.7753 5.0082 5.0179 5.1340 5.1779 5.4073 5.4157 5.7532 5.7597 5.8797 5.8827 7.6697 7.6758 7.6855 7.6896 8.0662 8.0756 8.3048 8.3055 8.4296 8.4327 10.0493 10.0519 11.5807 11.5814 k = 0.1667 0.1667-0.0000 ( 5886 PWs) bands (ev): -58.1133 -58.1133 -32.5602 -32.5602 -31.7373 -31.7373 -31.7372 -31.7372 -7.4194 -7.4193 -6.3692 -6.3675 -6.3543 -6.3527 -6.2883 -6.2877 0.5356 0.5380 0.5702 0.5717 1.3711 1.3715 1.8044 1.8126 1.9828 2.0025 2.0297 2.0312 2.4564 2.4606 2.4913 2.5153 2.5648 2.5925 3.0493 3.0650 3.0678 3.0733 3.2984 3.3028 3.5907 3.5962 3.7691 3.7883 3.8524 3.8969 3.9200 3.9921 4.0214 4.0586 4.1177 4.1319 4.1691 4.1937 4.2992 4.3134 4.6303 4.7064 4.7605 4.7878 5.0110 5.0182 5.1088 5.1489 5.4430 5.4501 5.7605 5.7674 5.8743 5.8766 7.6676 7.6719 7.6769 7.6802 8.0727 8.0806 8.3122 8.3130 8.4200 8.4229 9.9675 9.9698 11.5643 11.5643 k = 0.1548 0.1548-0.0000 ( 5888 PWs) bands (ev): -58.1133 -58.1133 -32.5602 -32.5602 -31.7373 -31.7373 -31.7372 -31.7372 -7.4351 -7.4351 -6.3591 -6.3575 -6.3457 -6.3442 -6.2876 -6.2870 0.5178 0.5200 0.5486 0.5500 1.3526 1.3529 1.8264 1.8343 1.9804 1.9993 2.0239 2.0258 2.4755 2.4805 2.5088 2.5310 2.5725 2.5983 3.0729 3.0918 3.0919 3.0979 3.3091 3.3129 3.5785 3.5862 3.7456 3.7637 3.8608 3.8958 3.9211 3.9982 4.0238 4.0521 4.1221 4.1358 4.1620 4.1958 4.2842 4.2984 4.6528 4.7193 4.7704 4.8007 5.0129 5.0160 5.0873 5.1219 5.4786 5.4844 5.7663 5.7735 5.8686 5.8702 7.6648 7.6664 7.6702 7.6717 8.0825 8.0888 8.3187 8.3195 8.4106 8.4133 9.8858 9.8880 11.5499 11.5505 k = 0.1429 0.1429-0.0000 ( 5898 PWs) bands (ev): -58.1133 -58.1133 -32.5602 -32.5602 -31.7373 -31.7373 -31.7372 -31.7372 -7.4499 -7.4498 -6.3494 -6.3480 -6.3376 -6.3361 -6.2871 -6.2865 0.5010 0.5030 0.5280 0.5294 1.3351 1.3353 1.8470 1.8546 1.9781 1.9961 2.0185 2.0207 2.4935 2.4993 2.5258 2.5457 2.5801 2.6036 3.0952 3.1116 3.1202 3.1266 3.3187 3.3219 3.5661 3.5757 3.7209 3.7382 3.8682 3.8950 3.9241 4.0031 4.0268 4.0453 4.1267 4.1381 4.1575 4.1987 4.2697 4.2842 4.6755 4.7320 4.7807 4.8139 5.0097 5.0131 5.0711 5.0977 5.5137 5.5183 5.7706 5.7781 5.8627 5.8637 7.6596 7.6610 7.6642 7.6649 8.0955 8.1003 8.3243 8.3250 8.4015 8.4040 9.8047 9.8066 11.5381 11.5392 k = 0.1310 0.1310-0.0000 ( 5888 PWs) bands (ev): -58.1133 -58.1133 -32.5602 -32.5602 -31.7373 -31.7373 -31.7372 -31.7372 -7.4636 -7.4635 -6.3403 -6.3389 -6.3299 -6.3285 -6.2867 -6.2862 0.4852 0.4870 0.5085 0.5098 1.3187 1.3189 1.8663 1.8735 1.9759 1.9929 2.0136 2.0159 2.5104 2.5168 2.5420 2.5593 2.5877 2.6086 3.1176 3.1319 3.1485 3.1545 3.3272 3.3300 3.5536 3.5648 3.6955 3.7123 3.8745 3.8946 3.9289 4.0069 4.0302 4.0385 4.1315 4.1382 4.1562 4.2022 4.2559 4.2712 4.6980 4.7445 4.7912 4.8271 4.9983 5.0104 5.0617 5.0779 5.5480 5.5515 5.7734 5.7809 5.8568 5.8571 7.6531 7.6557 7.6586 7.6598 8.1116 8.1152 8.3287 8.3294 8.3929 8.3952 9.7245 9.7262 11.5287 11.5303 k = 0.1190 0.1190-0.0000 ( 5900 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7372 -31.7372 -31.7372 -31.7372 -7.4762 -7.4762 -6.3317 -6.3305 -6.3227 -6.3214 -6.2865 -6.2860 0.4705 0.4721 0.4902 0.4915 1.3036 1.3037 1.8840 1.8907 1.9738 1.9896 2.0092 2.0116 2.5259 2.5327 2.5575 2.5718 2.5952 2.6132 3.1405 3.1529 3.1762 3.1813 3.3348 3.3371 3.5411 3.5535 3.6696 3.6858 3.8794 3.8942 3.9351 4.0096 4.0320 4.0331 4.1362 4.1371 4.1572 4.2059 4.2428 4.2595 4.7201 4.7565 4.8018 4.8402 4.9833 5.0029 5.0574 5.0645 5.5811 5.5837 5.7746 5.7819 5.8508 5.8510 7.6472 7.6497 7.6539 7.6545 8.1307 8.1332 8.3321 8.3327 8.3849 8.3870 9.6457 9.6471 11.5217 11.5237 k = 0.1071 0.1071-0.0000 ( 5900 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7372 -31.7372 -31.7371 -31.7371 -7.4878 -7.4877 -6.3238 -6.3227 -6.3161 -6.3149 -6.2863 -6.2858 0.4570 0.4584 0.4733 0.4745 1.2897 1.2898 1.9001 1.9063 1.9718 1.9864 2.0054 2.0078 2.5401 2.5468 2.5720 2.5834 2.6027 2.6175 3.1640 3.1745 3.2031 3.2071 3.3414 3.3433 3.5285 3.5419 3.6433 3.6590 3.8833 3.8940 3.9424 4.0118 4.0260 4.0351 4.1363 4.1407 4.1587 4.2098 4.2304 4.2496 4.7412 4.7679 4.8127 4.8530 4.9674 4.9904 5.0561 5.0579 5.6124 5.6143 5.7743 5.7813 5.8451 5.8455 7.6419 7.6442 7.6492 7.6493 8.1525 8.1541 8.3344 8.3349 8.3777 8.3796 9.5689 9.5700 11.5167 11.5190 k = 0.0952 0.0952-0.0000 ( 5902 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7372 -31.7372 -31.7371 -31.7371 -7.4982 -7.4982 -6.3166 -6.3157 -6.3099 -6.3088 -6.2862 -6.2857 0.4448 0.4460 0.4579 0.4590 1.2770 1.2771 1.9146 1.9202 1.9701 1.9831 2.0023 2.0045 2.5528 2.5590 2.5853 2.5940 2.6099 2.6214 3.1882 3.1967 3.2289 3.2316 3.3472 3.3487 3.5158 3.5299 3.6168 3.6319 3.8862 3.8938 3.9504 4.0135 4.0207 4.0357 4.1366 4.1449 4.1597 4.2135 4.2188 4.2416 4.7607 4.7786 4.8237 4.8653 4.9522 4.9752 5.0557 5.0562 5.6418 5.6429 5.7728 5.7791 5.8401 5.8407 7.6372 7.6393 7.6441 7.6445 8.1765 8.1774 8.3358 8.3361 8.3712 8.3730 9.4947 9.4955 11.5137 11.5162 k = 0.0833 0.0833-0.0000 ( 5904 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7372 -31.7372 -31.7371 -31.7371 -7.5074 -7.5074 -6.3102 -6.3095 -6.3044 -6.3034 -6.2861 -6.2857 0.4338 0.4349 0.4441 0.4451 1.2658 1.2658 1.9272 1.9323 1.9685 1.9800 2.0000 2.0018 2.5640 2.5692 2.5974 2.6038 2.6167 2.6249 3.2129 3.2195 3.2536 3.2550 3.3521 3.3533 3.5032 3.5175 3.5902 3.6047 3.8885 3.8936 3.9587 4.0147 4.0162 4.0351 4.1381 4.1487 4.1598 4.2076 4.2174 4.2357 4.7778 4.7882 4.8351 4.8766 4.9387 4.9600 5.0558 5.0569 5.6684 5.6691 5.7701 5.7757 5.8361 5.8366 7.6332 7.6350 7.6392 7.6398 8.2021 8.2025 8.3362 8.3364 8.3657 8.3673 9.4239 9.4245 11.5124 11.5149 k = 0.0714 0.0714-0.0000 ( 5903 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7372 -31.7372 -31.7371 -31.7371 -7.5155 -7.5155 -6.3046 -6.3040 -6.2995 -6.2986 -6.2861 -6.2856 0.4243 0.4252 0.4319 0.4328 1.2559 1.2560 1.9381 1.9424 1.9672 1.9770 1.9984 1.9998 2.5736 2.5775 2.6081 2.6127 2.6228 2.6281 3.2381 3.2427 3.2770 3.2770 3.3563 3.3571 3.4906 3.5048 3.5637 3.5774 3.8902 3.8935 3.9670 4.0126 4.0154 4.0333 4.1405 4.1519 4.1590 4.1976 4.2207 4.2319 4.7916 4.7964 4.8472 4.8868 4.9276 4.9460 5.0569 5.0580 5.6920 5.6922 5.7668 5.7714 5.8331 5.8336 7.6298 7.6313 7.6346 7.6354 8.2284 8.2286 8.3360 8.3361 8.3612 8.3626 9.3574 9.3578 11.5123 11.5148 k = 0.0595 0.0595-0.0000 ( 5897 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7371 -31.7371 -31.7371 -31.7371 -7.5223 -7.5223 -6.2999 -6.2995 -6.2952 -6.2944 -6.2860 -6.2856 0.4161 0.4169 0.4215 0.4222 1.2475 1.2475 1.9470 1.9506 1.9661 1.9742 1.9975 1.9985 2.5816 2.5842 2.6174 2.6206 2.6281 2.6311 3.2636 3.2662 3.2976 3.2991 3.3597 3.3604 3.4781 3.4919 3.5373 3.5501 3.8915 3.8935 3.9751 4.0100 4.0157 4.0308 4.1433 4.1545 4.1577 4.1884 4.2237 4.2299 4.8015 4.8031 4.8598 4.8956 4.9190 4.9340 5.0584 5.0592 5.7117 5.7118 5.7631 5.7668 5.8314 5.8317 7.6270 7.6282 7.6306 7.6314 8.2544 8.2545 8.3355 8.3356 8.3577 8.3589 9.2966 9.2968 11.5133 11.5156 k = 0.0476 0.0476-0.0000 ( 5901 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7371 -31.7371 -31.7371 -31.7371 -7.5280 -7.5280 -6.2962 -6.2960 -6.2916 -6.2909 -6.2858 -6.2854 0.4094 0.4100 0.4129 0.4135 1.2406 1.2406 1.9540 1.9568 1.9653 1.9717 1.9972 1.9979 2.5880 2.5895 2.6252 2.6273 2.6324 2.6337 3.2892 3.2900 3.3168 3.3195 3.3625 3.3630 3.4657 3.4788 3.5113 3.5231 3.8924 3.8934 3.9830 4.0083 4.0153 4.0275 4.1464 4.1564 4.1564 4.1800 4.2261 4.2292 4.8079 4.8081 4.8724 4.9026 4.9129 4.9244 5.0599 5.0603 5.7273 5.7276 5.7595 5.7623 5.8309 5.8311 7.6247 7.6257 7.6272 7.6279 8.2784 8.2785 8.3355 8.3356 8.3550 8.3560 9.2428 9.2429 11.5154 11.5172 k = 0.0357 0.0357-0.0000 ( 5901 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7371 -31.7371 -31.7371 -31.7371 -7.5324 -7.5324 -6.2935 -6.2933 -6.2887 -6.2882 -6.2856 -6.2852 0.4042 0.4046 0.4061 0.4066 1.2352 1.2352 1.9591 1.9611 1.9648 1.9696 1.9976 1.9979 2.5928 2.5935 2.6313 2.6327 2.6357 2.6360 3.3135 3.3145 3.3342 3.3379 3.3645 3.3650 3.4540 3.4657 3.4861 3.4965 3.8930 3.8934 3.9904 4.0075 4.0143 4.0238 4.1493 4.1555 4.1577 4.1727 4.2280 4.2292 4.8114 4.8115 4.8841 4.9075 4.9092 4.9173 5.0612 5.0614 5.7388 5.7391 5.7564 5.7583 5.8315 5.8316 7.6230 7.6237 7.6245 7.6251 8.2979 8.2980 8.3373 8.3373 8.3531 8.3538 9.1978 9.1979 11.5169 11.5188 k = 0.0238 0.0238-0.0000 ( 5917 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7371 -31.7371 -31.7371 -31.7371 -7.5355 -7.5355 -6.2917 -6.2916 -6.2865 -6.2862 -6.2852 -6.2849 0.4004 0.4007 0.4013 0.4016 1.2313 1.2313 1.9625 1.9638 1.9647 1.9678 1.9981 1.9982 2.5961 2.5963 2.6357 2.6366 2.6378 2.6380 3.3362 3.3386 3.3493 3.3534 3.3660 3.3664 3.4437 3.4531 3.4626 3.4711 3.8933 3.8935 3.9974 4.0076 4.0129 4.0196 4.1519 4.1555 4.1582 4.1664 4.2293 4.2296 4.8132 4.8133 4.8942 4.9074 4.9099 4.9126 5.0621 5.0622 5.7464 5.7467 5.7539 5.7551 5.8327 5.8327 7.6218 7.6223 7.6225 7.6230 8.3099 8.3100 8.3421 8.3422 8.3518 8.3523 9.1637 9.1637 11.5184 11.5205 k = 0.0119 0.0119-0.0000 ( 5887 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7371 -31.7371 -31.7371 -31.7371 -7.5374 -7.5374 -6.2907 -6.2907 -6.2852 -6.2850 -6.2849 -6.2847 0.3982 0.3984 0.3984 0.3986 1.2290 1.2290 1.9645 1.9649 1.9651 1.9664 1.9986 1.9986 2.5980 2.5980 2.6385 2.6389 2.6391 2.6393 3.3559 3.3586 3.3610 3.3640 3.3670 3.3675 3.4369 3.4426 3.4437 3.4492 3.8935 3.8936 4.0038 4.0084 4.0113 4.0149 4.1544 4.1563 4.1581 4.1614 4.2302 4.2302 4.8141 4.8141 4.9021 4.9069 4.9091 4.9103 5.0628 5.0629 5.7507 5.7509 5.7525 5.7531 5.8338 5.8338 7.6212 7.6214 7.6214 7.6216 8.3149 8.3149 8.3482 8.3483 8.3511 8.3513 9.1422 9.1422 11.5183 11.5189 k = 0.0000 0.0000 0.0000 ( 5887 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7371 -31.7371 -31.7371 -31.7371 -7.5381 -7.5381 -6.2904 -6.2904 -6.2847 -6.2847 -6.2847 -6.2847 0.3975 0.3975 0.3975 0.3975 1.2282 1.2282 1.9654 1.9654 1.9654 1.9654 1.9987 1.9987 2.5986 2.5986 2.6396 2.6396 2.6396 2.6396 3.3660 3.3660 3.3660 3.3660 3.3687 3.3687 3.4367 3.4367 3.4367 3.4367 3.8936 3.8936 4.0097 4.0097 4.0097 4.0097 4.1574 4.1574 4.1574 4.1574 4.2304 4.2304 4.8143 4.8143 4.9075 4.9075 4.9075 4.9075 5.0630 5.0630 5.7521 5.7521 5.7521 5.7521 5.8342 5.8342 7.6211 7.6211 7.6211 7.6211 8.3161 8.3161 8.3509 8.3509 8.3509 8.3509 9.1348 9.1348 11.5180 11.5180 k = 0.0000 0.0000 0.0000 ( 5887 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7371 -31.7371 -31.7371 -31.7371 -7.5381 -7.5381 -6.2904 -6.2904 -6.2847 -6.2847 -6.2847 -6.2847 0.3975 0.3975 0.3975 0.3975 1.2282 1.2282 1.9654 1.9654 1.9654 1.9654 1.9987 1.9987 2.5986 2.5986 2.6396 2.6396 2.6396 2.6396 3.3660 3.3660 3.3660 3.3660 3.3687 3.3687 3.4367 3.4367 3.4367 3.4367 3.8936 3.8936 4.0097 4.0097 4.0097 4.0097 4.1574 4.1574 4.1574 4.1574 4.2304 4.2304 4.8143 4.8143 4.9075 4.9075 4.9075 4.9075 5.0630 5.0630 5.7521 5.7521 5.7521 5.7521 5.8342 5.8342 7.6211 7.6211 7.6211 7.6211 8.3161 8.3161 8.3509 8.3509 8.3509 8.3509 9.1348 9.1348 11.5180 11.5180 k = 0.0098 0.0098 0.0098 ( 5887 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7371 -31.7371 -31.7371 -31.7371 -7.5374 -7.5374 -6.2907 -6.2907 -6.2851 -6.2849 -6.2849 -6.2848 0.3983 0.3984 0.3984 0.3985 1.2290 1.2290 1.9647 1.9649 1.9649 1.9664 1.9986 1.9986 2.5980 2.5980 2.6386 2.6390 2.6390 2.6391 3.3572 3.3607 3.3607 3.3616 3.3665 3.3665 3.4389 3.4431 3.4431 3.4482 3.8936 3.8936 4.0036 4.0099 4.0099 4.0151 4.1544 4.1571 4.1571 4.1615 4.2302 4.2302 4.8141 4.8141 4.9018 4.9082 4.9082 4.9103 5.0628 5.0628 5.7507 5.7507 5.7525 5.7531 5.8338 5.8338 7.6212 7.6214 7.6214 7.6216 8.3149 8.3149 8.3482 8.3482 8.3511 8.3514 9.1423 9.1423 11.5187 11.5215 k = 0.0196 0.0196 0.0196 ( 5917 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7371 -31.7371 -31.7371 -31.7371 -7.5355 -7.5355 -6.2916 -6.2916 -6.2862 -6.2857 -6.2857 -6.2856 0.4008 0.4011 0.4011 0.4013 1.2313 1.2313 1.9633 1.9633 1.9643 1.9678 1.9981 1.9981 2.5961 2.5961 2.6360 2.6371 2.6374 2.6374 3.3416 3.3461 3.3461 3.3463 3.3626 3.3626 3.4523 3.4580 3.4580 3.4668 3.8934 3.8934 3.9968 4.0104 4.0104 4.0198 4.1526 4.1564 4.1564 4.1667 4.2294 4.2294 4.8132 4.8132 4.8931 4.9101 4.9104 4.9104 5.0622 5.0622 5.7462 5.7462 5.7541 5.7555 5.8327 5.8327 7.6220 7.6224 7.6224 7.6228 8.3096 8.3096 8.3420 8.3420 8.3520 8.3526 9.1641 9.1641 11.5204 11.5207 k = 0.0294 0.0294 0.0294 ( 5905 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7371 -31.7371 -31.7371 -31.7371 -7.5323 -7.5323 -6.2930 -6.2930 -6.2879 -6.2870 -6.2869 -6.2869 0.4052 0.4055 0.4055 0.4059 1.2353 1.2353 1.9604 1.9604 1.9643 1.9696 1.9976 1.9976 2.5931 2.5931 2.6321 2.6336 2.6347 2.6347 3.3235 3.3267 3.3279 3.3279 3.3565 3.3565 3.4708 3.4766 3.4766 3.4886 3.8932 3.8932 3.9896 4.0113 4.0113 4.0236 4.1522 4.1553 4.1553 4.1728 4.2285 4.2285 4.8112 4.8112 4.8819 4.9073 4.9147 4.9147 5.0613 5.0613 5.7378 5.7378 5.7570 5.7590 5.8317 5.8317 7.6235 7.6242 7.6242 7.6247 8.2967 8.2967 8.3377 8.3377 8.3536 8.3544 9.1988 9.1988 11.5231 11.5232 k = 0.0392 0.0392 0.0392 ( 5899 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7371 -31.7371 -31.7371 -31.7371 -7.5278 -7.5278 -6.2950 -6.2950 -6.2902 -6.2891 -6.2886 -6.2886 0.4112 0.4116 0.4116 0.4122 1.2408 1.2408 1.9559 1.9559 1.9646 1.9717 1.9973 1.9973 2.5889 2.5889 2.6266 2.6286 2.6310 2.6310 3.3047 3.3055 3.3085 3.3085 3.3480 3.3480 3.4914 3.4966 3.4966 3.5114 3.8929 3.8929 3.9819 4.0125 4.0125 4.0264 4.1533 4.1537 4.1537 4.1797 4.2273 4.2273 4.8075 4.8075 4.8683 4.9018 4.9216 4.9216 5.0602 5.0602 5.7250 5.7250 5.7607 5.7637 5.8315 5.8315 7.6257 7.6266 7.6266 7.6273 8.2758 8.2758 8.3370 8.3370 8.3558 8.3568 9.2442 9.2442 11.5266 11.5267 k = 0.0490 0.0490 0.0490 ( 5899 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7371 -31.7371 -31.7371 -31.7371 -7.5221 -7.5221 -6.2976 -6.2976 -6.2930 -6.2917 -6.2907 -6.2907 0.4190 0.4194 0.4194 0.4202 1.2478 1.2478 1.9497 1.9497 1.9653 1.9740 1.9975 1.9975 2.5834 2.5834 2.6197 2.6221 2.6263 2.6263 3.2839 3.2857 3.2886 3.2886 3.3371 3.3371 3.5131 3.5171 3.5171 3.5348 3.8926 3.8926 3.9738 4.0140 4.0140 4.0282 4.1517 4.1517 4.1559 4.1874 4.2260 4.2260 4.8018 4.8018 4.8527 4.8941 4.9316 4.9316 5.0590 5.0590 5.7074 5.7074 5.7653 5.7692 5.8325 5.8325 7.6286 7.6298 7.6298 7.6305 8.2502 8.2502 8.3386 8.3386 8.3585 8.3597 9.2982 9.2982 11.5314 11.5314 k = 0.0588 0.0588 0.0588 ( 5899 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7371 -31.7371 -31.7371 -31.7371 -7.5151 -7.5151 -6.3007 -6.3007 -6.2965 -6.2949 -6.2933 -6.2933 0.4283 0.4289 0.4289 0.4298 1.2563 1.2563 1.9415 1.9415 1.9662 1.9767 1.9981 1.9981 2.5766 2.5766 2.6113 2.6142 2.6207 2.6207 3.2623 3.2668 3.2687 3.2687 3.3239 3.3239 3.5353 3.5378 3.5378 3.5583 3.8920 3.8920 3.9652 4.0156 4.0156 4.0290 4.1493 4.1493 4.1599 4.1958 4.2248 4.2248 4.7940 4.7940 4.8355 4.8846 4.9445 4.9445 5.0580 5.0580 5.6850 5.6850 5.7704 5.7754 5.8347 5.8347 7.6322 7.6336 7.6336 7.6344 8.2224 8.2224 8.3414 8.3414 8.3617 8.3632 9.3590 9.3590 11.5377 11.5377 k = 0.0686 0.0686 0.0686 ( 5893 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7372 -31.7372 -31.7372 -31.7372 -7.5068 -7.5068 -6.3045 -6.3045 -6.3005 -6.2987 -6.2963 -6.2963 0.4393 0.4399 0.4399 0.4411 1.2663 1.2663 1.9315 1.9315 1.9676 1.9797 1.9994 1.9994 2.5686 2.5686 2.6015 2.6047 2.6142 2.6142 3.2410 3.2483 3.2489 3.2489 3.3083 3.3083 3.5580 3.5586 3.5586 3.5819 3.8914 3.8914 3.9564 4.0173 4.0173 4.0290 4.1466 4.1466 4.1652 4.2047 4.2239 4.2239 4.7845 4.7845 4.8171 4.8736 4.9599 4.9599 5.0576 5.0576 5.6582 5.6582 5.7757 5.7820 5.8379 5.8379 7.6365 7.6381 7.6381 7.6390 8.1940 8.1940 8.3451 8.3451 8.3654 8.3670 9.4249 9.4249 11.5458 11.5458 k = 0.0784 0.0784 0.0784 ( 5893 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7372 -31.7372 -31.7372 -31.7372 -7.4974 -7.4974 -6.3088 -6.3088 -6.3051 -6.3030 -6.2996 -6.2996 0.4518 0.4525 0.4525 0.4538 1.2775 1.2775 1.9197 1.9197 1.9692 1.9830 2.0011 2.0011 2.5593 2.5593 2.5903 2.5939 2.6069 2.6069 3.2201 3.2295 3.2295 3.2301 3.2905 3.2905 3.5791 3.5791 3.5809 3.6053 3.8906 3.8906 3.9472 4.0189 4.0189 4.0281 4.1437 4.1437 4.1717 4.2142 4.2233 4.2233 4.7735 4.7735 4.7980 4.8616 4.9768 4.9768 5.0585 5.0585 5.6275 5.6275 5.7812 5.7887 5.8417 5.8417 7.6415 7.6434 7.6434 7.6443 8.1660 8.1660 8.3494 8.3494 8.3695 8.3713 9.4944 9.4944 11.5561 11.5561 k = 0.0882 0.0882 0.0882 ( 5893 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7372 -31.7372 -31.7372 -31.7372 -7.4868 -7.4868 -6.3136 -6.3136 -6.3101 -6.3078 -6.3033 -6.3033 0.4657 0.4664 0.4664 0.4680 1.2901 1.2901 1.9061 1.9061 1.9711 1.9865 2.0033 2.0033 2.5487 2.5487 2.5779 2.5816 2.5990 2.5990 3.1996 3.2104 3.2104 3.2124 3.2705 3.2705 3.5993 3.5993 3.6039 3.6284 3.8897 3.8897 3.9377 4.0203 4.0203 4.0266 4.1406 4.1406 4.1791 4.2232 4.2232 4.2240 4.7617 4.7617 4.7786 4.8490 4.9931 4.9931 5.0626 5.0626 5.5933 5.5933 5.7865 5.7954 5.8458 5.8458 7.6472 7.6493 7.6493 7.6503 8.1392 8.1392 8.3542 8.3542 8.3740 8.3758 9.5663 9.5663 11.5690 11.5690 k = 0.0980 0.0980 0.0980 ( 5899 PWs) bands (ev): -58.1133 -58.1133 -32.5601 -32.5601 -31.7372 -31.7372 -31.7372 -31.7372 -7.4750 -7.4750 -6.3190 -6.3190 -6.3157 -6.3132 -6.3073 -6.3073 0.4809 0.4817 0.4817 0.4835 1.3039 1.3039 1.8908 1.8908 1.9734 1.9903 2.0059 2.0059 2.5368 2.5368 2.5641 2.5679 2.5904 2.5904 3.1798 3.1918 3.1918 3.1951 3.2484 3.2484 3.6191 3.6191 3.6271 3.6510 3.8887 3.8887 3.9280 4.0213 4.0213 4.0247 4.1376 4.1376 4.1874 4.2238 4.2238 4.2342 4.7494 4.7494 4.7594 4.8361 5.0056 5.0056 5.0728 5.0728 5.5562 5.5562 5.7916 5.8019 5.8500 5.8500 7.6537 7.6558 7.6558 7.6569 8.1142 8.1142 8.3594 8.3594 8.3786 8.3805 9.6395 9.6395 11.5846 11.5846 k = 0.1078 0.1078 0.1078 ( 5881 PWs) bands (ev): -58.1133 -58.1133 -32.5602 -32.5602 -31.7372 -31.7372 -31.7372 -31.7372 -7.4621 -7.4621 -6.3249 -6.3249 -6.3217 -6.3190 -6.3117 -6.3117 0.4974 0.4982 0.4982 0.5003 1.3187 1.3187 1.8739 1.8739 1.9759 1.9944 2.0089 2.0089 2.5238 2.5238 2.5492 2.5531 2.5813 2.5813 3.1606 3.1738 3.1738 3.1783 3.2243 3.2243 3.6384 3.6384 3.6502 3.6732 3.8876 3.8876 3.9181 4.0219 4.0219 4.0225 4.1347 4.1347 4.1964 4.2253 4.2253 4.2447 4.7372 4.7372 4.7407 4.8234 5.0121 5.0121 5.0911 5.0911 5.5166 5.5166 5.7963 5.8080 5.8541 5.8541 7.6608 7.6631 7.6631 7.6642 8.0913 8.0913 8.3649 8.3649 8.3835 8.3854 9.7131 9.7131 11.6028 11.6028 k = 0.1176 0.1176 0.1176 ( 5881 PWs) bands (ev): -58.1133 -58.1133 -32.5602 -32.5602 -31.7372 -31.7372 -31.7372 -31.7372 -7.4480 -7.4480 -6.3312 -6.3312 -6.3282 -6.3252 -6.3163 -6.3163 0.5150 0.5157 0.5157 0.5181 1.3346 1.3346 1.8556 1.8556 1.9787 1.9987 2.0121 2.0121 2.5096 2.5096 2.5333 2.5370 2.5718 2.5718 3.1421 3.1562 3.1562 3.1620 3.1984 3.1984 3.6570 3.6570 3.6732 3.6948 3.8863 3.8863 3.9081 4.0200 4.0219 4.0219 4.1320 4.1320 4.2057 4.2276 4.2276 4.2553 4.7230 4.7252 4.7252 4.8113 5.0134 5.0134 5.1161 5.1161 5.4749 5.4749 5.8005 5.8136 5.8579 5.8579 7.6685 7.6710 7.6710 7.6722 8.0708 8.0708 8.3706 8.3706 8.3886 8.3904 9.7861 9.7861 11.6206 11.6207 k = 0.1275 0.1275 0.1275 ( 5878 PWs) bands (ev): -58.1133 -58.1133 -32.5602 -32.5602 -31.7373 -31.7373 -31.7373 -31.7373 -7.4329 -7.4329 -6.3379 -6.3379 -6.3351 -6.3319 -6.3213 -6.3213 0.5335 0.5343 0.5343 0.5370 1.3512 1.3512 1.8359 1.8359 1.9818 2.0031 2.0157 2.0157 2.4944 2.4944 2.5164 2.5200 2.5618 2.5618 3.1242 3.1392 3.1392 3.1461 3.1708 3.1708 3.6749 3.6749 3.6961 3.7155 3.8849 3.8849 3.8981 4.0176 4.0213 4.0213 4.1296 4.1296 4.2151 4.2308 4.2308 4.2659 4.7066 4.7139 4.7139 4.7999 5.0118 5.0118 5.1457 5.1457 5.4315 5.4315 5.8042 5.8187 5.8614 5.8614 7.6770 7.6794 7.6794 7.6807 8.0530 8.0530 8.3765 8.3765 8.3938 8.3956 9.8577 9.8577 11.6373 11.6375 k = 0.1373 0.1373 0.1373 ( 5878 PWs) bands (ev): -58.1133 -58.1133 -32.5602 -32.5602 -31.7373 -31.7373 -31.7373 -31.7373 -7.4168 -7.4168 -6.3450 -6.3450 -6.3423 -6.3390 -6.3266 -6.3266 0.5528 0.5536 0.5536 0.5566 1.3684 1.3684 1.8150 1.8150 1.9850 2.0077 2.0195 2.0195 2.4784 2.4784 2.4988 2.5020 2.5514 2.5514 3.1070 3.1226 3.1226 3.1308 3.1419 3.1419 3.6918 3.6918 3.7187 3.7354 3.8835 3.8835 3.8880 4.0154 4.0201 4.0201 4.1274 4.1274 4.2246 4.2351 4.2351 4.2764 4.6918 4.7036 4.7036 4.7896 5.0083 5.0083 5.1782 5.1782 5.3869 5.3869 5.8075 5.8232 5.8646 5.8646 7.6860 7.6885 7.6885 7.6899 8.0378 8.0378 8.3826 8.3826 8.3991 8.4008 9.9272 9.9272 11.6543 11.6543 k = 0.1471 0.1471 0.1471 ( 5881 PWs) bands (ev): -58.1133 -58.1133 -32.5602 -32.5602 -31.7373 -31.7373 -31.7373 -31.7373 -7.3997 -7.3997 -6.3525 -6.3525 -6.3498 -6.3464 -6.3321 -6.3321 0.5729 0.5736 0.5736 0.5770 1.3861 1.3861 1.7929 1.7929 1.9886 2.0125 2.0235 2.0235 2.4616 2.4616 2.4805 2.4833 2.5408 2.5408 3.0905 3.1052 3.1052 3.1132 3.1132 3.1158 3.7077 3.7077 3.7409 3.7541 3.8781 3.8820 3.8820 4.0135 4.0184 4.0184 4.1255 4.1255 4.2338 4.2403 4.2403 4.2867 4.6789 4.6943 4.6943 4.7806 5.0033 5.0033 5.2130 5.2130 5.3416 5.3416 5.8103 5.8272 5.8674 5.8674 7.6957 7.6981 7.6981 7.6996 8.0255 8.0255 8.3888 8.3888 8.4045 8.4060 9.9940 9.9940 11.6718 11.6723 k = 0.1569 0.1569 0.1569 ( 5881 PWs) bands (ev): -58.1133 -58.1133 -32.5602 -32.5602 -31.7373 -31.7373 -31.7373 -31.7373 -7.3816 -7.3816 -6.3603 -6.3603 -6.3577 -6.3541 -6.3379 -6.3379 0.5934 0.5942 0.5942 0.5979 1.4038 1.4038 1.7700 1.7700 1.9923 2.0173 2.0276 2.0276 2.4442 2.4442 2.4618 2.4641 2.5299 2.5299 3.0746 3.0782 3.0782 3.0935 3.0935 3.1014 3.7225 3.7225 3.7627 3.7717 3.8684 3.8805 3.8805 4.0121 4.0164 4.0164 4.1239 4.1239 4.2425 4.2464 4.2464 4.2968 4.6681 4.6863 4.6863 4.7730 4.9973 4.9973 5.2482 5.2482 5.2971 5.2971 5.8127 5.8306 5.8699 5.8699 7.7059 7.7082 7.7082 7.7098 8.0161 8.0161 8.3952 8.3952 8.4100 8.4114 10.0573 10.0573 11.6898 11.6909 k = 0.1667 0.1667 0.1667 ( 5893 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7373 -31.7373 -31.7373 -31.7373 -7.3626 -7.3626 -6.3683 -6.3683 -6.3658 -6.3621 -6.3439 -6.3439 0.6143 0.6150 0.6150 0.6191 1.4212 1.4212 1.7466 1.7466 1.9961 2.0222 2.0318 2.0318 2.4266 2.4266 2.4429 2.4446 2.5188 2.5188 3.0463 3.0463 3.0593 3.0785 3.0785 3.0872 3.7359 3.7359 3.7837 3.7878 3.8592 3.8790 3.8790 4.0114 4.0143 4.0143 4.1224 4.1224 4.2506 4.2533 4.2533 4.3064 4.6597 4.6796 4.6796 4.7670 4.9902 4.9902 5.2447 5.2447 5.2928 5.2928 5.8149 5.8337 5.8722 5.8722 7.7166 7.7188 7.7188 7.7204 8.0097 8.0097 8.4018 8.4018 8.4157 8.4168 10.1169 10.1169 11.7080 11.7085 k = 0.1765 0.1765 0.1765 ( 5881 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7374 -31.7374 -31.7374 -31.7374 -7.3428 -7.3428 -6.3766 -6.3766 -6.3742 -6.3703 -6.3501 -6.3501 0.6353 0.6360 0.6360 0.6405 1.4376 1.4376 1.7233 1.7233 2.0001 2.0272 2.0362 2.0362 2.4089 2.4089 2.4239 2.4250 2.5076 2.5076 3.0136 3.0136 3.0447 3.0644 3.0644 3.0735 3.7479 3.7479 3.8024 3.8036 3.8510 3.8778 3.8778 4.0117 4.0122 4.0122 4.1211 4.1211 4.2580 4.2609 4.2609 4.3155 4.6537 4.6744 4.6744 4.7627 4.9819 4.9819 5.2004 5.2004 5.3310 5.3310 5.8170 5.8365 5.8745 5.8745 7.7277 7.7298 7.7298 7.7315 8.0062 8.0062 8.4087 8.4087 8.4216 8.4224 10.1723 10.1723 11.7264 11.7279 k = 0.1863 0.1863 0.1863 ( 5887 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7374 -31.7374 -31.7374 -31.7374 -7.3221 -7.3221 -6.3851 -6.3851 -6.3827 -6.3788 -6.3564 -6.3564 0.6563 0.6570 0.6570 0.6619 1.4523 1.4523 1.7006 1.7006 2.0041 2.0321 2.0405 2.0405 2.3913 2.3913 2.4052 2.4057 2.4963 2.4963 2.9804 2.9804 3.0305 3.0509 3.0509 3.0601 3.7583 3.7583 3.8154 3.8200 3.8460 3.8768 3.8768 4.0103 4.0103 4.0129 4.1199 4.1199 4.2644 4.2690 4.2690 4.3240 4.6501 4.6704 4.6704 4.7599 4.9724 4.9724 5.1551 5.1551 5.3719 5.3719 5.8192 5.8392 5.8768 5.8768 7.7393 7.7410 7.7410 7.7429 8.0055 8.0055 8.4157 8.4157 8.4277 8.4282 10.2233 10.2233 11.7445 11.7476 k = 0.1961 0.1961 0.1961 ( 5887 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7374 -31.7374 -31.7374 -31.7374 -7.3008 -7.3008 -6.3938 -6.3938 -6.3914 -6.3874 -6.3630 -6.3630 0.6771 0.6777 0.6777 0.6831 1.4639 1.4639 1.6799 1.6799 2.0083 2.0369 2.0448 2.0448 2.3742 2.3742 2.3867 2.3870 2.4849 2.4849 2.9473 2.9473 3.0170 3.0380 3.0380 3.0471 3.7670 3.7670 3.8245 3.8268 3.8529 3.8763 3.8763 4.0088 4.0088 4.0152 4.1187 4.1187 4.2698 4.2773 4.2773 4.3319 4.6488 4.6677 4.6677 4.7588 4.9612 4.9612 5.1108 5.1108 5.4142 5.4142 5.8216 5.8421 5.8794 5.8794 7.7511 7.7526 7.7526 7.7546 8.0078 8.0078 8.4230 8.4230 8.4341 8.4341 10.2699 10.2699 11.7621 11.7627 k = 0.2059 0.2059 0.2059 ( 5890 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7374 -31.7374 -31.7374 -31.7374 -7.2787 -7.2787 -6.4025 -6.4025 -6.4002 -6.3961 -6.3697 -6.3697 0.6975 0.6980 0.6980 0.7039 1.4706 1.4706 1.6628 1.6628 2.0125 2.0416 2.0491 2.0491 2.3577 2.3577 2.3685 2.3694 2.4735 2.4735 2.9145 2.9145 3.0039 3.0256 3.0256 3.0343 3.7738 3.7738 3.8197 3.8365 3.8688 3.8764 3.8764 4.0077 4.0077 4.0186 4.1176 4.1176 4.2741 4.2858 4.2858 4.3390 4.6497 4.6660 4.6660 4.7592 4.9480 4.9480 5.0685 5.0685 5.4574 5.4574 5.8246 5.8453 5.8824 5.8824 7.7632 7.7644 7.7644 7.7665 8.0129 8.0129 8.4307 8.4307 8.4404 8.4408 10.3122 10.3122 11.7784 11.7794 k = 0.2157 0.2157 0.2157 ( 5899 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7375 -31.7375 -31.7375 -31.7375 -7.2560 -7.2560 -6.4114 -6.4114 -6.4091 -6.4049 -6.3765 -6.3765 0.7172 0.7177 0.7177 0.7240 1.4701 1.4701 1.6515 1.6515 2.0167 2.0462 2.0532 2.0532 2.3422 2.3422 2.3513 2.3528 2.4622 2.4622 2.8824 2.8824 2.9912 3.0136 3.0136 3.0218 3.7789 3.7789 3.8135 3.8448 3.8771 3.8771 3.8861 4.0069 4.0069 4.0230 4.1166 4.1166 4.2774 4.2943 4.2943 4.3453 4.6524 4.6650 4.6650 4.7608 4.9318 4.9318 5.0295 5.0295 5.5014 5.5014 5.8284 5.8490 5.8862 5.8862 7.7754 7.7763 7.7763 7.7785 8.0207 8.0207 8.4387 8.4387 8.4470 8.4479 10.3501 10.3501 11.7933 11.7936 k = 0.2255 0.2255 0.2255 ( 5893 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7375 -31.7375 -31.7375 -31.7375 -7.2328 -7.2328 -6.4203 -6.4203 -6.4180 -6.4138 -6.3834 -6.3834 0.7362 0.7366 0.7366 0.7434 1.4611 1.4611 1.6472 1.6472 2.0209 2.0506 2.0572 2.0572 2.3278 2.3278 2.3353 2.3374 2.4509 2.4509 2.8513 2.8513 2.9790 3.0020 3.0020 3.0097 3.7823 3.7823 3.8074 3.8518 3.8786 3.8786 3.9031 4.0066 4.0066 4.0283 4.1157 4.1157 4.2799 4.3026 4.3026 4.3510 4.6567 4.6643 4.6643 4.7635 4.9114 4.9114 4.9954 4.9954 5.5460 5.5460 5.8332 5.8536 5.8910 5.8910 7.7877 7.7883 7.7883 7.7905 8.0313 8.0313 8.4471 8.4471 8.4540 8.4554 10.3840 10.3840 11.8060 11.8069 k = 0.2353 0.2353 0.2353 ( 5881 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7375 -31.7375 -31.7375 -31.7375 -7.2091 -7.2091 -6.4293 -6.4293 -6.4270 -6.4228 -6.3904 -6.3904 0.7541 0.7544 0.7544 0.7617 1.4442 1.4442 1.6491 1.6491 2.0251 2.0548 2.0611 2.0611 2.3149 2.3149 2.3207 2.3233 2.4398 2.4398 2.8216 2.8216 2.9673 2.9909 2.9909 2.9977 3.7842 3.7842 3.8021 3.8578 3.8808 3.8808 3.9195 4.0067 4.0067 4.0342 4.1148 4.1148 4.2816 4.3106 4.3106 4.3559 4.6621 4.6634 4.6634 4.7669 4.8863 4.8863 4.9673 4.9673 5.5912 5.5912 5.8394 5.8594 5.8970 5.8970 7.8000 7.8003 7.8003 7.8025 8.0444 8.0444 8.4560 8.4560 8.4614 8.4634 10.4141 10.4141 11.8157 11.8164 k = 0.2451 0.2451 0.2451 ( 5887 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7375 -31.7375 -31.7375 -31.7375 -7.1849 -7.1849 -6.4382 -6.4382 -6.4359 -6.4317 -6.3975 -6.3975 0.7708 0.7711 0.7711 0.7788 1.4210 1.4210 1.6553 1.6553 2.0294 2.0589 2.0649 2.0649 2.3035 2.3035 2.3078 2.3107 2.4288 2.4288 2.7937 2.7937 2.9559 2.9801 2.9801 2.9861 3.7850 3.7850 3.7973 3.8631 3.8835 3.8835 3.9350 4.0070 4.0070 4.0404 4.1140 4.1140 4.2826 4.3182 4.3182 4.3601 4.6613 4.6613 4.6681 4.7707 4.8578 4.8578 4.9445 4.9445 5.6367 5.6367 5.8471 5.8665 5.9045 5.9045 7.8122 7.8122 7.8123 7.8144 8.0599 8.0599 8.4654 8.4654 8.4693 8.4719 10.4407 10.4407 11.8213 11.8217 k = 0.2549 0.2549 0.2549 ( 5890 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7376 -31.7376 -31.7376 -31.7376 -7.1605 -7.1605 -6.4471 -6.4471 -6.4447 -6.4405 -6.4046 -6.4046 0.7862 0.7864 0.7864 0.7946 1.3937 1.3937 1.6637 1.6637 2.0336 2.0627 2.0685 2.0685 2.2939 2.2939 2.2966 2.2998 2.4180 2.4180 2.7680 2.7680 2.9449 2.9697 2.9697 2.9746 3.7847 3.7847 3.7935 3.8679 3.8866 3.8866 3.9498 4.0074 4.0074 4.0467 4.1132 4.1132 4.2832 4.3254 4.3254 4.3636 4.6569 4.6569 4.6743 4.7746 4.8291 4.8291 4.9250 4.9250 5.6823 5.6823 5.8567 5.8754 5.9137 5.9137 7.8240 7.8240 7.8243 7.8262 8.0778 8.0778 8.4752 8.4752 8.4777 8.4810 10.4641 10.4641 11.8221 11.8244 k = 0.2647 0.2647 0.2647 ( 5887 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7376 -31.7376 -31.7376 -31.7376 -7.1357 -7.1357 -6.4559 -6.4559 -6.4535 -6.4493 -6.4118 -6.4118 0.8001 0.8001 0.8002 0.8088 1.3637 1.3637 1.6727 1.6727 2.0379 2.0665 2.0721 2.0721 2.2859 2.2859 2.2872 2.2907 2.4074 2.4074 2.7448 2.7448 2.9343 2.9596 2.9596 2.9635 3.7839 3.7839 3.7905 3.8725 3.8900 3.8900 3.9636 4.0081 4.0081 4.0531 4.1125 4.1125 4.2835 4.3320 4.3320 4.3666 4.6488 4.6488 4.6803 4.7781 4.8031 4.8031 4.9072 4.9072 5.7280 5.7280 5.8683 5.8861 5.9250 5.9250 7.8356 7.8356 7.8362 7.8377 8.0979 8.0979 8.4855 8.4855 8.4867 8.4906 10.4846 10.4846 11.8166 11.8172 k = 0.2745 0.2745 0.2745 ( 5887 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7376 -31.7376 -31.7376 -31.7376 -7.1108 -7.1108 -6.4646 -6.4646 -6.4622 -6.4580 -6.4190 -6.4190 0.8123 0.8123 0.8125 0.8214 1.3318 1.3318 1.6810 1.6810 2.0424 2.0703 2.0758 2.0758 2.2797 2.2797 2.2797 2.2832 2.3971 2.3971 2.7244 2.7244 2.9241 2.9499 2.9499 2.9526 3.7828 3.7828 3.7884 3.8771 3.8936 3.8936 3.9767 4.0087 4.0087 4.0592 4.1118 4.1118 4.2835 4.3382 4.3382 4.3692 4.6358 4.6358 4.6856 4.7810 4.7819 4.7819 4.8900 4.8900 5.7735 5.7735 5.8823 5.8991 5.9385 5.9385 7.8470 7.8470 7.8479 7.8490 8.1201 8.1201 8.4962 8.4964 8.4964 8.5007 10.5024 10.5024 11.8040 11.8046 k = 0.2843 0.2843 0.2843 ( 5875 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7377 -31.7377 -31.7377 -31.7377 -7.0857 -7.0857 -6.4731 -6.4731 -6.4706 -6.4666 -6.4263 -6.4263 0.8227 0.8227 0.8231 0.8323 1.2990 1.2990 1.6881 1.6881 2.0471 2.0743 2.0797 2.0797 2.2739 2.2752 2.2752 2.2775 2.3872 2.3872 2.7072 2.7072 2.9143 2.9405 2.9405 2.9420 3.7814 3.7814 3.7873 3.8818 3.8973 3.8973 3.9889 4.0093 4.0093 4.0649 4.1112 4.1112 4.2836 4.3439 4.3439 4.3713 4.6176 4.6176 4.6899 4.7663 4.7663 4.7828 4.8730 4.8730 5.8186 5.8186 5.8987 5.9144 5.9545 5.9545 7.8581 7.8581 7.8592 7.8600 8.1441 8.1441 8.5062 8.5076 8.5076 8.5113 10.5180 10.5180 11.7831 11.7840 k = 0.2941 0.2941 0.2941 ( 5881 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7377 -31.7377 -31.7377 -31.7377 -7.0606 -7.0606 -6.4815 -6.4815 -6.4789 -6.4749 -6.4336 -6.4336 0.8314 0.8314 0.8320 0.8413 1.2654 1.2654 1.6933 1.6933 2.0522 2.0786 2.0839 2.0839 2.2696 2.2722 2.2722 2.2734 2.3776 2.3776 2.6933 2.6933 2.9049 2.9314 2.9314 2.9317 3.7799 3.7799 3.7871 3.8867 3.9010 3.9010 4.0002 4.0097 4.0097 4.0701 4.1104 4.1104 4.2837 4.3491 4.3491 4.3731 4.5953 4.5953 4.6928 4.7551 4.7551 4.7833 4.8559 4.8559 5.8631 5.8631 5.9176 5.9321 5.9731 5.9731 7.8690 7.8690 7.8703 7.8708 8.1698 8.1698 8.5167 8.5192 8.5192 8.5224 10.5315 10.5315 11.7535 11.7537 k = 0.3039 0.3039 0.3039 ( 5881 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7377 -31.7377 -31.7377 -31.7377 -7.0355 -7.0355 -6.4897 -6.4897 -6.4870 -6.4831 -6.4408 -6.4408 0.8384 0.8384 0.8392 0.8486 1.2317 1.2317 1.6965 1.6965 2.0577 2.0834 2.0886 2.0886 2.2668 2.2704 2.2704 2.2708 2.3684 2.3684 2.6828 2.6828 2.8959 2.9217 2.9227 2.9227 3.7785 3.7785 3.7879 3.8920 3.9047 3.9047 4.0099 4.0099 4.0108 4.0747 4.1095 4.1095 4.2839 4.3539 4.3539 4.3746 4.5709 4.5709 4.6943 4.7467 4.7467 4.7823 4.8386 4.8386 5.9066 5.9066 5.9391 5.9524 5.9947 5.9947 7.8797 7.8797 7.8810 7.8812 8.1970 8.1970 8.5276 8.5311 8.5311 8.5338 10.5432 10.5432 11.7144 11.7153 k = 0.3137 0.3137 0.3137 ( 5878 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7377 -31.7377 -31.7377 -31.7377 -7.0106 -7.0106 -6.4976 -6.4976 -6.4949 -6.4911 -6.4481 -6.4481 0.8436 0.8436 0.8446 0.8541 1.1980 1.1980 1.6973 1.6973 2.0637 2.0888 2.0939 2.0939 2.2652 2.2695 2.2698 2.2698 2.3597 2.3597 2.6759 2.6759 2.8873 2.9120 2.9144 2.9144 3.7772 3.7772 3.7897 3.8977 3.9084 3.9084 4.0099 4.0099 4.0205 4.0786 4.1085 4.1085 4.2845 4.3583 4.3583 4.3759 4.5459 4.5459 4.6941 4.7396 4.7396 4.7796 4.8212 4.8212 5.9489 5.9489 5.9630 5.9752 6.0193 6.0193 7.8900 7.8900 7.8914 7.8915 8.2256 8.2256 8.5388 8.5433 8.5433 8.5456 10.5533 10.5533 11.6666 11.6669 k = 0.3235 0.3235 0.3235 ( 5878 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7378 -31.7378 -31.7378 -31.7378 -6.9859 -6.9859 -6.5053 -6.5053 -6.5025 -6.4988 -6.4554 -6.4554 0.8472 0.8472 0.8485 0.8579 1.1645 1.1645 1.6957 1.6957 2.0702 2.0949 2.0999 2.0999 2.2645 2.2693 2.2700 2.2700 2.3515 2.3515 2.6725 2.6725 2.8791 2.9027 2.9064 2.9064 3.7760 3.7760 3.7924 3.9038 3.9122 3.9122 4.0095 4.0095 4.0295 4.0818 4.1073 4.1073 4.2854 4.3623 4.3623 4.3771 4.5216 4.5216 4.6921 4.7326 4.7326 4.7750 4.8036 4.8036 5.9894 5.9894 5.9894 6.0004 6.0472 6.0472 7.9002 7.9002 7.9014 7.9017 8.2552 8.2552 8.5502 8.5555 8.5555 8.5574 10.5621 10.5621 11.6106 11.6109 k = 0.3333 0.3333 0.3333 ( 5866 PWs) bands (ev): -58.1132 -58.1132 -32.5607 -32.5607 -31.7378 -31.7378 -31.7378 -31.7378 -6.9615 -6.9615 -6.5127 -6.5127 -6.5098 -6.5062 -6.4627 -6.4627 0.8492 0.8492 0.8508 0.8601 1.1317 1.1317 1.6920 1.6920 2.0774 2.1018 2.1066 2.1066 2.2645 2.2700 2.2709 2.2709 2.3438 2.3438 2.6724 2.6724 2.8714 2.8938 2.8988 2.8988 3.7750 3.7750 3.7961 3.9103 3.9160 3.9160 4.0088 4.0088 4.0378 4.0843 4.1058 4.1058 4.2868 4.3659 4.3659 4.3781 4.4989 4.4989 4.6885 4.7250 4.7250 4.7687 4.7859 4.7859 6.0180 6.0278 6.0280 6.0280 6.0783 6.0783 7.9102 7.9102 7.9112 7.9117 8.2857 8.2857 8.5617 8.5677 8.5677 8.5693 10.5697 10.5697 11.5471 11.5473 k = 0.3431 0.3431 0.3431 ( 5878 PWs) bands (ev): -58.1133 -58.1133 -32.5607 -32.5607 -31.7378 -31.7378 -31.7378 -31.7378 -6.9374 -6.9374 -6.5198 -6.5198 -6.5168 -6.5134 -6.4700 -6.4700 0.8498 0.8498 0.8517 0.8608 1.0995 1.0995 1.6862 1.6862 2.0852 2.1095 2.1140 2.1140 2.2651 2.2715 2.2720 2.2720 2.3368 2.3368 2.6753 2.6753 2.8641 2.8852 2.8916 2.8916 3.7740 3.7740 3.8007 3.9171 3.9197 3.9197 4.0075 4.0075 4.0453 4.0859 4.1040 4.1040 4.2887 4.3690 4.3690 4.3791 4.4784 4.4784 4.6832 4.7163 4.7163 4.7604 4.7683 4.7683 6.0484 6.0572 6.0647 6.0647 6.1119 6.1119 7.9201 7.9201 7.9209 7.9214 8.3168 8.3168 8.5731 8.5797 8.5797 8.5810 10.5764 10.5764 11.4773 11.4778 k = 0.3529 0.3529 0.3529 ( 5884 PWs) bands (ev): -58.1133 -58.1133 -32.5607 -32.5607 -31.7378 -31.7378 -31.7378 -31.7378 -6.9138 -6.9138 -6.5265 -6.5265 -6.5235 -6.5202 -6.4774 -6.4774 0.8492 0.8492 0.8514 0.8602 1.0682 1.0682 1.6786 1.6786 2.0935 2.1179 2.1222 2.1222 2.2660 2.2732 2.2732 2.2735 2.3305 2.3305 2.6810 2.6810 2.8573 2.8771 2.8847 2.8847 3.7731 3.7731 3.8062 3.9234 3.9234 3.9243 4.0057 4.0057 4.0521 4.0867 4.1019 4.1019 4.2912 4.3717 4.3717 4.3802 4.4608 4.4608 4.6763 4.7062 4.7062 4.7505 4.7508 4.7508 6.0805 6.0882 6.1001 6.1001 6.1472 6.1472 7.9299 7.9299 7.9305 7.9311 8.3483 8.3483 8.5843 8.5913 8.5913 8.5924 10.5821 10.5821 11.4031 11.4044 k = 0.3627 0.3627 0.3627 ( 5881 PWs) bands (ev): -58.1132 -58.1132 -32.5607 -32.5607 -31.7379 -31.7379 -31.7379 -31.7378 -6.8907 -6.8907 -6.5330 -6.5330 -6.5298 -6.5267 -6.4847 -6.4847 0.8474 0.8474 0.8500 0.8584 1.0380 1.0380 1.6696 1.6696 2.1025 2.1270 2.1309 2.1309 2.2670 2.2743 2.2743 2.2758 2.3250 2.3250 2.6890 2.6890 2.8511 2.8695 2.8784 2.8784 3.7722 3.7722 3.8125 3.9271 3.9271 3.9317 4.0034 4.0034 4.0583 4.0869 4.0995 4.0995 4.2943 4.3738 4.3738 4.3813 4.4463 4.4463 4.6680 4.6947 4.6947 4.7337 4.7337 4.7389 6.1138 6.1206 6.1349 6.1349 6.1830 6.1830 7.9396 7.9396 7.9401 7.9408 8.3798 8.3798 8.5951 8.6024 8.6024 8.6033 10.5873 10.5873 11.3263 11.3283 k = 0.3725 0.3725 0.3725 ( 5893 PWs) bands (ev): -58.1133 -58.1133 -32.5607 -32.5607 -31.7379 -31.7379 -31.7379 -31.7379 -6.8682 -6.8682 -6.5390 -6.5390 -6.5358 -6.5328 -6.4921 -6.4921 0.8448 0.8448 0.8477 0.8558 1.0091 1.0091 1.6595 1.6595 2.1118 2.1368 2.1402 2.1402 2.2680 2.2749 2.2749 2.2782 2.3205 2.3205 2.6989 2.6989 2.8453 2.8623 2.8724 2.8724 3.7712 3.7712 3.8197 3.9307 3.9307 3.9392 4.0005 4.0005 4.0637 4.0862 4.0969 4.0969 4.2982 4.3751 4.3751 4.3826 4.4355 4.4355 4.6585 4.6816 4.6816 4.7170 4.7170 4.7258 6.1479 6.1538 6.1692 6.1692 6.2184 6.2184 7.9493 7.9493 7.9497 7.9504 8.4112 8.4112 8.6053 8.6129 8.6129 8.6136 10.5918 10.5918 11.2483 11.2510 k = 0.3824 0.3824 0.3824 ( 5899 PWs) bands (ev): -58.1133 -58.1133 -32.5608 -32.5608 -31.7379 -31.7379 -31.7379 -31.7379 -6.8464 -6.8464 -6.5447 -6.5447 -6.5413 -6.5386 -6.4995 -6.4995 0.8415 0.8415 0.8447 0.8523 0.9816 0.9816 1.6486 1.6486 2.1215 2.1470 2.1498 2.1498 2.2688 2.2749 2.2749 2.2807 2.3170 2.3170 2.7102 2.7102 2.8400 2.8556 2.8669 2.8669 3.7702 3.7702 3.8276 3.9344 3.9344 3.9467 3.9970 3.9970 4.0686 4.0850 4.0942 4.0942 4.3028 4.3756 4.3756 4.3840 4.4286 4.4286 4.6479 4.6672 4.6672 4.7007 4.7007 4.7114 6.1823 6.1874 6.2032 6.2032 6.2528 6.2528 7.9591 7.9591 7.9593 7.9600 8.4420 8.4420 8.6148 8.6225 8.6225 8.6231 10.5959 10.5959 11.1705 11.1738 k = 0.3922 0.3922 0.3922 ( 5899 PWs) bands (ev): -58.1133 -58.1133 -32.5608 -32.5608 -31.7379 -31.7379 -31.7379 -31.7379 -6.8254 -6.8254 -6.5500 -6.5500 -6.5465 -6.5439 -6.5070 -6.5070 0.8376 0.8376 0.8412 0.8484 0.9557 0.9557 1.6374 1.6374 2.1315 2.1576 2.1597 2.1597 2.2693 2.2742 2.2742 2.2829 2.3144 2.3144 2.7226 2.7226 2.8352 2.8494 2.8619 2.8619 3.7690 3.7690 3.8363 3.9379 3.9379 3.9540 3.9931 3.9931 4.0727 4.0833 4.0915 4.0915 4.3081 4.3754 4.3754 4.3856 4.4253 4.4253 4.6366 4.6518 4.6518 4.6848 4.6848 4.6960 6.2165 6.2209 6.2365 6.2365 6.2858 6.2858 7.9689 7.9689 7.9690 7.9696 8.4720 8.4720 8.6235 8.6312 8.6312 8.6316 10.5996 10.5996 11.0943 11.0980 k = 0.4020 0.4020 0.4020 ( 5905 PWs) bands (ev): -58.1133 -58.1133 -32.5608 -32.5608 -31.7379 -31.7379 -31.7379 -31.7379 -6.8051 -6.8051 -6.5549 -6.5549 -6.5512 -6.5489 -6.5145 -6.5145 0.8335 0.8335 0.8375 0.8440 0.9315 0.9315 1.6260 1.6260 2.1417 2.1684 2.1696 2.1696 2.2694 2.2729 2.2729 2.2848 2.3127 2.3127 2.7356 2.7356 2.8310 2.8437 2.8575 2.8575 3.7676 3.7676 3.8456 3.9413 3.9413 3.9609 3.9887 3.9887 4.0763 4.0811 4.0890 4.0890 4.3143 4.3749 4.3749 4.3874 4.4251 4.4251 4.6247 4.6357 4.6357 4.6690 4.6690 4.6796 6.2501 6.2538 6.2687 6.2687 6.3172 6.3172 7.9788 7.9788 7.9788 7.9793 8.5009 8.5009 8.6313 8.6388 8.6388 8.6391 10.6031 10.6031 11.0207 11.0247 k = 0.4118 0.4118 0.4118 ( 5896 PWs) bands (ev): -58.1132 -58.1132 -32.5608 -32.5608 -31.7379 -31.7379 -31.7379 -31.7379 -6.7858 -6.7858 -6.5594 -6.5594 -6.5556 -6.5534 -6.5221 -6.5221 0.8291 0.8291 0.8335 0.8395 0.9093 0.9093 1.6149 1.6149 2.1520 2.1792 2.1795 2.1795 2.2691 2.2713 2.2713 2.2862 2.3116 2.3116 2.7487 2.7487 2.8273 2.8386 2.8535 2.8535 3.7661 3.7661 3.8555 3.9446 3.9446 3.9671 3.9840 3.9840 4.0788 4.0792 4.0867 4.0867 4.3212 4.3749 4.3749 4.3895 4.4273 4.4273 4.6125 4.6195 4.6195 4.6534 4.6534 4.6627 6.2825 6.2856 6.2995 6.2995 6.3466 6.3466 7.9886 7.9886 7.9886 7.9890 8.5283 8.5283 8.6379 8.6453 8.6453 8.6454 10.6062 10.6062 10.9509 10.9551 k = 0.4216 0.4216 0.4216 ( 5893 PWs) bands (ev): -58.1132 -58.1132 -32.5608 -32.5608 -31.7380 -31.7380 -31.7380 -31.7380 -6.7675 -6.7675 -6.5634 -6.5634 -6.5595 -6.5575 -6.5297 -6.5297 0.8248 0.8248 0.8296 0.8350 0.8890 0.8890 1.6043 1.6043 2.1622 2.1891 2.1891 2.1900 2.2682 2.2694 2.2694 2.2871 2.3107 2.3107 2.7615 2.7615 2.8241 2.8340 2.8501 2.8501 3.7644 3.7644 3.8658 3.9476 3.9476 3.9724 3.9794 3.9794 4.0764 4.0815 4.0848 4.0848 4.3289 4.3757 4.3757 4.3918 4.4313 4.4313 4.6002 4.6033 4.6033 4.6377 4.6377 4.6454 6.3132 6.3157 6.3283 6.3283 6.3739 6.3739 7.9982 7.9982 7.9982 7.9986 8.5539 8.5539 8.6435 8.6505 8.6507 8.6507 10.6092 10.6092 10.8858 10.8900 k = 0.4314 0.4314 0.4314 ( 5905 PWs) bands (ev): -58.1133 -58.1133 -32.5608 -32.5608 -31.7380 -31.7380 -31.7380 -31.7380 -6.7502 -6.7502 -6.5670 -6.5670 -6.5629 -6.5612 -6.5373 -6.5373 0.8205 0.8205 0.8258 0.8306 0.8709 0.8709 1.5943 1.5943 2.1722 2.1982 2.1982 2.2005 2.2667 2.2676 2.2676 2.2872 2.3098 2.3098 2.7736 2.7736 2.8213 2.8299 2.8473 2.8473 3.7625 3.7625 3.8765 3.9502 3.9502 3.9750 3.9750 3.9762 4.0744 4.0831 4.0832 4.0832 4.3373 4.3773 4.3773 4.3943 4.4366 4.4366 4.5876 4.5876 4.5882 4.6222 4.6222 4.6280 6.3416 6.3437 6.3546 6.3546 6.3988 6.3988 8.0076 8.0076 8.0076 8.0079 8.5774 8.5774 8.6481 8.6545 8.6548 8.6548 10.6119 10.6119 10.8262 10.8303 k = 0.4412 0.4412 0.4412 ( 5905 PWs) bands (ev): -58.1133 -58.1133 -32.5608 -32.5608 -31.7380 -31.7380 -31.7380 -31.7380 -6.7341 -6.7341 -6.5702 -6.5702 -6.5659 -6.5644 -6.5448 -6.5448 0.8165 0.8165 0.8223 0.8264 0.8550 0.8550 1.5854 1.5854 2.1821 2.2066 2.2066 2.2107 2.2646 2.2661 2.2661 2.2866 2.3087 2.3087 2.7847 2.7847 2.8191 2.8263 2.8451 2.8451 3.7605 3.7605 3.8875 3.9523 3.9523 3.9711 3.9711 3.9784 4.0729 4.0819 4.0819 4.0842 4.3464 4.3799 4.3799 4.3968 4.4430 4.4430 4.5726 4.5726 4.5767 4.6068 4.6068 4.6109 6.3675 6.3691 6.3780 6.3780 6.4213 6.4213 8.0165 8.0166 8.0166 8.0167 8.5985 8.5985 8.6516 8.6573 8.6579 8.6579 10.6143 10.6143 10.7730 10.7768 k = 0.4510 0.4510 0.4510 ( 5905 PWs) bands (ev): -58.1133 -58.1133 -32.5608 -32.5608 -31.7380 -31.7380 -31.7380 -31.7380 -6.7194 -6.7194 -6.5729 -6.5729 -6.5684 -6.5672 -6.5521 -6.5521 0.8128 0.8128 0.8192 0.8227 0.8415 0.8415 1.5775 1.5775 2.1916 2.2141 2.2141 2.2203 2.2621 2.2650 2.2650 2.2852 2.3075 2.3075 2.7943 2.7943 2.8173 2.8232 2.8436 2.8436 3.7586 3.7586 3.8986 3.9535 3.9535 3.9683 3.9683 3.9786 4.0723 4.0809 4.0809 4.0846 4.3558 4.3833 4.3833 4.3992 4.4503 4.4503 4.5586 4.5586 4.5661 4.5919 4.5919 4.5945 6.3902 6.3915 6.3983 6.3983 6.4410 6.4410 8.0248 8.0248 8.0248 8.0249 8.6168 8.6168 8.6542 8.6591 8.6601 8.6601 10.6164 10.6164 10.7269 10.7302 k = 0.4608 0.4608 0.4608 ( 5899 PWs) bands (ev): -58.1132 -58.1132 -32.5608 -32.5608 -31.7380 -31.7380 -31.7380 -31.7380 -6.7063 -6.7063 -6.5753 -6.5753 -6.5704 -6.5695 -6.5590 -6.5590 0.8095 0.8095 0.8167 0.8194 0.8306 0.8306 1.5709 1.5709 2.2008 2.2205 2.2205 2.2289 2.2592 2.2645 2.2645 2.2830 2.3061 2.3061 2.8022 2.8022 2.8160 2.8207 2.8428 2.8428 3.7567 3.7567 3.9098 3.9537 3.9537 3.9668 3.9668 3.9767 4.0726 4.0802 4.0802 4.0845 4.3655 4.3870 4.3870 4.4012 4.4583 4.4583 4.5460 4.5460 4.5567 4.5777 4.5777 4.5793 6.4094 6.4104 6.4150 6.4150 6.4578 6.4578 8.0321 8.0321 8.0321 8.0321 8.6322 8.6322 8.6560 8.6601 8.6615 8.6615 10.6182 10.6182 10.6883 10.6912 k = 0.4706 0.4706 0.4706 ( 5896 PWs) bands (ev): -58.1132 -58.1132 -32.5609 -32.5609 -31.7380 -31.7380 -31.7380 -31.7380 -6.6952 -6.6952 -6.5773 -6.5773 -6.5720 -6.5713 -6.5652 -6.5652 0.8065 0.8065 0.8146 0.8167 0.8223 0.8223 1.5656 1.5656 2.2095 2.2254 2.2254 2.2358 2.2568 2.2646 2.2646 2.2799 2.3046 2.3046 2.8081 2.8081 2.8151 2.8185 2.8426 2.8426 3.7552 3.7552 3.9208 3.9530 3.9530 3.9664 3.9664 3.9727 4.0736 4.0798 4.0798 4.0838 4.3749 4.3908 4.3908 4.4025 4.4666 4.4666 4.5351 4.5351 4.5491 4.5646 4.5646 4.5659 6.4247 6.4254 6.4281 6.4281 6.4712 6.4712 8.0381 8.0381 8.0381 8.0381 8.6444 8.6444 8.6573 8.6604 8.6623 8.6623 10.6196 10.6196 10.6580 10.6602 k = 0.4804 0.4804 0.4804 ( 5904 PWs) bands (ev): -58.1133 -58.1133 -32.5609 -32.5609 -31.7380 -31.7380 -31.7380 -31.7380 -6.6865 -6.6865 -6.5790 -6.5790 -6.5731 -6.5726 -6.5700 -6.5700 0.8040 0.8040 0.8133 0.8146 0.8167 0.8167 1.5618 1.5618 2.2176 2.2289 2.2289 2.2388 2.2569 2.2652 2.2652 2.2760 2.3032 2.3032 2.8120 2.8120 2.8146 2.8169 2.8429 2.8429 3.7539 3.7539 3.9314 3.9521 3.9521 3.9665 3.9665 3.9669 4.0753 4.0794 4.0794 4.0827 4.3837 4.3940 4.3940 4.4025 4.4747 4.4747 4.5263 4.5263 4.5438 4.5533 4.5533 4.5548 6.4359 6.4363 6.4375 6.4375 6.4810 6.4810 8.0426 8.0427 8.0427 8.0427 8.6531 8.6531 8.6582 8.6603 8.6628 8.6628 10.6203 10.6203 10.6361 10.6376 k = 0.4902 0.4902 0.4902 ( 5904 PWs) bands (ev): -58.1133 -58.1133 -32.5609 -32.5609 -31.7380 -31.7380 -31.7380 -31.7380 -6.6809 -6.6809 -6.5804 -6.5804 -6.5737 -6.5735 -6.5729 -6.5729 0.8022 0.8022 0.8125 0.8132 0.8135 0.8135 1.5594 1.5594 2.2250 2.2309 2.2309 2.2366 2.2608 2.2658 2.2658 2.2713 2.3021 2.3021 2.8142 2.8142 2.8145 2.8157 2.8434 2.8434 3.7531 3.7531 3.9416 3.9513 3.9513 3.9596 3.9667 3.9667 4.0772 4.0793 4.0793 4.0811 4.3913 4.3963 4.3963 4.4009 4.4813 4.4813 4.5204 4.5204 4.5413 4.5452 4.5452 4.5467 6.4427 6.4429 6.4432 6.4432 6.4870 6.4870 8.0455 8.0455 8.0455 8.0455 8.6581 8.6581 8.6589 8.6600 8.6634 8.6634 10.6198 10.6198 10.6230 10.6238 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.1133 -58.1133 -32.5609 -32.5609 -31.7380 -31.7380 -31.7380 -31.7380 -6.6789 -6.6789 -6.5810 -6.5810 -6.5738 -6.5738 -6.5738 -6.5738 0.8016 0.8016 0.8125 0.8125 0.8125 0.8125 1.5587 1.5587 2.2315 2.2315 2.2315 2.2315 2.2661 2.2661 2.2661 2.2661 2.3017 2.3017 2.8149 2.8149 2.8149 2.8149 2.8436 2.8436 3.7529 3.7529 3.9511 3.9511 3.9511 3.9511 3.9668 3.9668 4.0792 4.0792 4.0792 4.0792 4.3971 4.3971 4.3971 4.3971 4.4841 4.4841 4.5181 4.5181 4.5422 4.5422 4.5422 4.5422 6.4451 6.4451 6.4451 6.4451 6.4890 6.4890 8.0464 8.0464 8.0464 8.0464 8.6595 8.6595 8.6595 8.6595 8.6639 8.6639 10.6189 10.6189 10.6189 10.6189 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.1133 -58.1133 -32.5609 -32.5609 -31.7380 -31.7380 -31.7380 -31.7380 -6.6789 -6.6789 -6.5810 -6.5810 -6.5738 -6.5738 -6.5738 -6.5738 0.8016 0.8016 0.8125 0.8125 0.8125 0.8125 1.5587 1.5587 2.2315 2.2315 2.2315 2.2315 2.2661 2.2661 2.2661 2.2661 2.3017 2.3017 2.8149 2.8149 2.8149 2.8149 2.8436 2.8436 3.7529 3.7529 3.9511 3.9511 3.9511 3.9511 3.9668 3.9668 4.0792 4.0792 4.0792 4.0792 4.3971 4.3971 4.3971 4.3971 4.4841 4.4841 4.5181 4.5181 4.5422 4.5422 4.5422 4.5422 6.4451 6.4451 6.4451 6.4451 6.4890 6.4890 8.0464 8.0464 8.0464 8.0464 8.6595 8.6595 8.6595 8.6595 8.6639 8.6639 10.6189 10.6189 10.6189 10.6189 k = 0.4881 0.5000 0.4881 ( 5904 PWs) bands (ev): -58.1133 -58.1133 -32.5609 -32.5609 -31.7380 -31.7380 -31.7380 -31.7380 -6.6808 -6.6808 -6.5804 -6.5804 -6.5738 -6.5736 -6.5729 -6.5728 0.8022 0.8022 0.8126 0.8133 0.8134 0.8136 1.5594 1.5594 2.2252 2.2294 2.2323 2.2364 2.2609 2.2645 2.2671 2.2711 2.3021 2.3021 2.8141 2.8144 2.8145 2.8156 2.8434 2.8434 3.7531 3.7531 3.9420 3.9490 3.9536 3.9593 3.9667 3.9668 4.0773 4.0788 4.0798 4.0810 4.3914 4.3952 4.3974 4.4008 4.4812 4.4817 4.5196 4.5208 4.5414 4.5448 4.5452 4.5470 6.4425 6.4427 6.4434 6.4435 6.4870 6.4870 8.0449 8.0450 8.0460 8.0460 8.6579 8.6584 8.6589 8.6599 8.6633 8.6635 10.6202 10.6205 10.6226 10.6232 k = 0.4762 0.5000 0.4762 ( 5904 PWs) bands (ev): -58.1133 -58.1133 -32.5609 -32.5609 -31.7380 -31.7380 -31.7380 -31.7380 -6.6863 -6.6863 -6.5794 -6.5792 -6.5733 -6.5728 -6.5697 -6.5695 0.8040 0.8040 0.8135 0.8148 0.8161 0.8165 1.5617 1.5617 2.2180 2.2264 2.2312 2.2394 2.2561 2.2634 2.2673 2.2756 2.3031 2.3034 2.8121 2.8127 2.8144 2.8165 2.8429 2.8429 3.7539 3.7539 3.9323 3.9474 3.9562 3.9661 3.9664 3.9671 4.0754 4.0784 4.0804 4.0826 4.3834 4.3925 4.3953 4.4032 4.4747 4.4769 4.5215 4.5280 4.5447 4.5511 4.5537 4.5565 6.4350 6.4353 6.4385 6.4388 6.4812 6.4813 8.0406 8.0406 8.0448 8.0448 8.6526 8.6543 8.6582 8.6600 8.6625 8.6632 10.6229 10.6240 10.6320 10.6325 k = 0.4643 0.5000 0.4643 ( 5898 PWs) bands (ev): -58.1132 -58.1132 -32.5609 -32.5609 -31.7380 -31.7380 -31.7380 -31.7380 -6.6948 -6.6947 -6.5786 -6.5783 -6.5721 -6.5714 -6.5645 -6.5641 0.8065 0.8065 0.8155 0.8173 0.8209 0.8216 1.5655 1.5655 2.2100 2.2226 2.2275 2.2401 2.2516 2.2640 2.2665 2.2795 2.3046 2.3053 2.8086 2.8096 2.8144 2.8176 2.8424 2.8425 3.7551 3.7552 3.9221 3.9465 3.9584 3.9658 3.9667 3.9731 4.0738 4.0781 4.0810 4.0839 4.3735 4.3892 4.3913 4.4041 4.4678 4.4725 4.5223 4.5374 4.5519 4.5600 4.5666 4.5691 6.4224 6.4231 6.4304 6.4308 6.4718 6.4721 8.0336 8.0337 8.0428 8.0428 8.6438 8.6465 8.6573 8.6594 8.6619 8.6629 10.6265 10.6284 10.6457 10.6457 k = 0.4524 0.5000 0.4524 ( 5908 PWs) bands (ev): -58.1133 -58.1133 -32.5608 -32.5608 -31.7380 -31.7380 -31.7380 -31.7380 -6.7054 -6.7054 -6.5783 -6.5780 -6.5700 -6.5691 -6.5577 -6.5573 0.8091 0.8094 0.8189 0.8210 0.8280 0.8289 1.5707 1.5707 2.2013 2.2181 2.2211 2.2392 2.2466 2.2648 2.2666 2.2827 2.3064 2.3077 2.8035 2.8048 2.8144 2.8187 2.8425 2.8426 3.7565 3.7569 3.9115 3.9459 3.9590 3.9649 3.9676 3.9788 4.0726 4.0780 4.0816 4.0850 4.3625 4.3854 4.3860 4.4033 4.4629 4.4697 4.5229 4.5469 4.5622 4.5723 4.5815 4.5837 6.4049 6.4059 6.4189 6.4196 6.4592 6.4599 8.0244 8.0246 8.0400 8.0400 8.6316 8.6352 8.6560 8.6583 8.6614 8.6623 10.6313 10.6340 10.6638 10.6641 k = 0.4405 0.5000 0.4405 ( 5908 PWs) bands (ev): -58.1133 -58.1133 -32.5608 -32.5608 -31.7380 -31.7380 -31.7380 -31.7380 -6.7178 -6.7177 -6.5784 -6.5782 -6.5669 -6.5659 -6.5501 -6.5495 0.8116 0.8124 0.8237 0.8258 0.8373 0.8385 1.5772 1.5773 2.1921 2.2128 2.2131 2.2374 2.2410 2.2623 2.2702 2.2855 2.3084 2.3104 2.7966 2.7983 2.8144 2.8196 2.8435 2.8435 3.7582 3.7588 3.9008 3.9458 3.9583 3.9641 3.9687 3.9843 4.0722 4.0779 4.0820 4.0859 4.3511 4.3801 4.3813 4.4004 4.4607 4.4691 4.5238 4.5561 4.5744 4.5880 4.5976 4.5992 6.3826 6.3841 6.4042 6.4051 6.4440 6.4452 8.0133 8.0137 8.0363 8.0364 8.6164 8.6208 8.6540 8.6565 8.6604 8.6611 10.6376 10.6409 10.6869 10.6875 k = 0.4286 0.5000 0.4286 ( 5908 PWs) bands (ev): -58.1133 -58.1133 -32.5608 -32.5608 -31.7380 -31.7380 -31.7380 -31.7380 -6.7315 -6.7313 -6.5789 -6.5787 -6.5630 -6.5618 -6.5419 -6.5413 0.8140 0.8154 0.8298 0.8319 0.8488 0.8502 1.5851 1.5852 2.1824 2.2034 2.2076 2.2334 2.2363 2.2591 2.2743 2.2880 2.3106 2.3132 2.7879 2.7900 2.8143 2.8203 2.8455 2.8457 3.7600 3.7608 3.8903 3.9459 3.9566 3.9633 3.9689 3.9902 4.0725 4.0779 4.0822 4.0868 4.3398 4.3741 4.3771 4.3958 4.4612 4.4703 4.5255 4.5653 4.5876 4.6061 4.6145 4.6151 6.3559 6.3578 6.3863 6.3874 6.4265 6.4281 8.0010 8.0016 8.0319 8.0321 8.5983 8.6035 8.6513 8.6540 8.6585 8.6591 10.6456 10.6495 10.7149 10.7157 k = 0.4167 0.5000 0.4167 ( 5912 PWs) bands (ev): -58.1133 -58.1133 -32.5608 -32.5608 -31.7380 -31.7380 -31.7379 -31.7379 -6.7462 -6.7460 -6.5797 -6.5795 -6.5583 -6.5570 -6.5335 -6.5327 0.8164 0.8184 0.8370 0.8391 0.8623 0.8639 1.5940 1.5943 2.1723 2.1932 2.2017 2.2263 2.2333 2.2551 2.2784 2.2902 2.3129 2.3159 2.7776 2.7800 2.8143 2.8209 2.8486 2.8492 3.7616 3.7625 3.8802 3.9460 3.9543 3.9630 3.9678 3.9966 4.0735 4.0781 4.0819 4.0879 4.3289 4.3684 4.3732 4.3905 4.4635 4.4730 4.5285 4.5749 4.6010 4.6256 4.6313 4.6320 6.3254 6.3277 6.3655 6.3667 6.4069 6.4089 7.9877 7.9886 8.0267 8.0270 8.5777 8.5835 8.6477 8.6507 8.6555 8.6562 10.6553 10.6597 10.7477 10.7486 k = 0.4048 0.5000 0.4048 ( 5908 PWs) bands (ev): -58.1133 -58.1133 -32.5608 -32.5608 -31.7380 -31.7380 -31.7379 -31.7379 -6.7618 -6.7615 -6.5807 -6.5806 -6.5529 -6.5516 -6.5248 -6.5240 0.8189 0.8215 0.8451 0.8473 0.8777 0.8794 1.6040 1.6044 2.1619 2.1825 2.1954 2.2183 2.2301 2.2507 2.2824 2.2921 2.3154 2.3187 2.7656 2.7683 2.8145 2.8216 2.8528 2.8537 3.7629 3.7637 3.8709 3.9457 3.9514 3.9633 3.9656 4.0035 4.0748 4.0788 4.0814 4.0890 4.3187 4.3631 4.3698 4.3852 4.4669 4.4767 4.5329 4.5852 4.6141 4.6435 4.6498 4.6502 6.2917 6.2942 6.3419 6.3433 6.3853 6.3877 7.9740 7.9752 8.0208 8.0213 8.5548 8.5611 8.6429 8.6463 8.6513 8.6522 10.6669 10.6718 10.7851 10.7861 k = 0.3929 0.5000 0.3929 ( 5892 PWs) bands (ev): -58.1132 -58.1132 -32.5608 -32.5608 -31.7380 -31.7380 -31.7379 -31.7379 -6.7781 -6.7778 -6.5821 -6.5820 -6.5468 -6.5454 -6.5161 -6.5152 0.8215 0.8245 0.8541 0.8564 0.8948 0.8966 1.6148 1.6153 2.1512 2.1714 2.1888 2.2098 2.2266 2.2457 2.2863 2.2940 2.3182 2.3215 2.7523 2.7552 2.8150 2.8228 2.8579 2.8592 3.7637 3.7637 3.8630 3.9449 3.9478 3.9632 3.9645 4.0107 4.0760 4.0803 4.0807 4.0902 4.3096 4.3585 4.3673 4.3806 4.4709 4.4807 4.5391 4.5962 4.6265 4.6583 4.6690 4.6718 6.2555 6.2581 6.3160 6.3175 6.3618 6.3643 7.9601 7.9617 8.0140 8.0147 8.5301 8.5368 8.6370 8.6409 8.6458 8.6470 10.6804 10.6857 10.8269 10.8279 k = 0.3810 0.5000 0.3810 ( 5892 PWs) bands (ev): -58.1132 -58.1132 -32.5608 -32.5608 -31.7380 -31.7380 -31.7379 -31.7379 -6.7949 -6.7946 -6.5838 -6.5836 -6.5401 -6.5386 -6.5072 -6.5063 0.8240 0.8275 0.8638 0.8661 0.9135 0.9153 1.6262 1.6270 2.1404 2.1601 2.1819 2.2007 2.2227 2.2403 2.2898 2.2957 2.3214 2.3245 2.7376 2.7407 2.8162 2.8246 2.8639 2.8654 3.7621 3.7639 3.8566 3.9432 3.9434 3.9611 3.9664 4.0179 4.0765 4.0797 4.0826 4.0915 4.3015 4.3546 4.3657 4.3769 4.4748 4.4846 4.5471 4.6080 4.6377 4.6712 4.6884 4.6951 6.2174 6.2200 6.2882 6.2897 6.3364 6.3389 7.9463 7.9484 8.0065 8.0075 8.5038 8.5107 8.6297 8.6341 8.6390 8.6405 10.6957 10.7014 10.8728 10.8739 k = 0.3690 0.5000 0.3690 ( 5892 PWs) bands (ev): -58.1132 -58.1132 -32.5608 -32.5608 -31.7380 -31.7380 -31.7379 -31.7379 -6.8123 -6.8119 -6.5858 -6.5857 -6.5328 -6.5312 -6.4983 -6.4973 0.8264 0.8304 0.8741 0.8765 0.9335 0.9354 1.6381 1.6391 2.1295 2.1487 2.1749 2.1913 2.2184 2.2346 2.2930 2.2973 2.3252 2.3277 2.7219 2.7251 2.8182 2.8271 2.8706 2.8723 3.7587 3.7631 3.8522 3.9378 3.9415 3.9600 3.9690 4.0249 4.0769 4.0786 4.0853 4.0928 4.2947 4.3516 4.3652 4.3744 4.4786 4.4882 4.5569 4.6205 4.6474 4.6826 4.7083 4.7192 6.1782 6.1805 6.2588 6.2602 6.3091 6.3114 7.9329 7.9354 7.9981 7.9996 8.4764 8.4833 8.6211 8.6260 8.6310 8.6326 10.7128 10.7189 10.9227 10.9238 k = 0.3571 0.5000 0.3571 ( 5888 PWs) bands (ev): -58.1132 -58.1132 -32.5608 -32.5608 -31.7379 -31.7379 -31.7378 -31.7378 -6.8300 -6.8296 -6.5881 -6.5880 -6.5250 -6.5232 -6.4893 -6.4882 0.8285 0.8331 0.8849 0.8874 0.9547 0.9566 1.6502 1.6515 2.1186 2.1373 2.1676 2.1817 2.2139 2.2287 2.2961 2.2992 2.3296 2.3313 2.7052 2.7084 2.8211 2.8304 2.8780 2.8798 3.7533 3.7613 3.8497 3.9319 3.9392 3.9599 3.9719 4.0314 4.0771 4.0777 4.0881 4.0941 4.2892 4.3495 4.3659 4.3732 4.4820 4.4916 4.5682 4.6337 4.6554 4.6922 4.7287 4.7439 6.1383 6.1402 6.2281 6.2294 6.2801 6.2820 7.9199 7.9229 7.9889 7.9909 8.4484 8.4551 8.6113 8.6165 8.6217 8.6234 10.7315 10.7379 10.9763 10.9773 k = 0.3452 0.5000 0.3452 ( 5892 PWs) bands (ev): -58.1133 -58.1133 -32.5607 -32.5607 -31.7379 -31.7379 -31.7378 -31.7378 -6.8481 -6.8476 -6.5908 -6.5907 -6.5166 -6.5148 -6.4803 -6.4791 0.8305 0.8354 0.8960 0.8986 0.9770 0.9787 1.6623 1.6640 2.1078 2.1260 2.1603 2.1720 2.2092 2.2225 2.2992 2.3013 2.3347 2.3353 2.6876 2.6909 2.8250 2.8348 2.8861 2.8879 3.7463 3.7584 3.8488 3.9256 3.9367 3.9609 3.9749 4.0371 4.0768 4.0773 4.0908 4.0955 4.2851 4.3486 4.3678 4.3732 4.4848 4.4947 4.5807 4.6476 4.6617 4.6999 4.7495 4.7691 6.0985 6.0996 6.1966 6.1977 6.2496 6.2508 7.9075 7.9110 7.9787 7.9814 8.4201 8.4263 8.6003 8.6055 8.6112 8.6127 10.7517 10.7583 11.0333 11.0344 k = 0.3333 0.5000 0.3333 ( 5888 PWs) bands (ev): -58.1133 -58.1133 -32.5607 -32.5607 -31.7379 -31.7379 -31.7378 -31.7378 -6.8664 -6.8659 -6.5938 -6.5937 -6.5077 -6.5058 -6.4711 -6.4699 0.8320 0.8374 0.9073 0.9101 1.0000 1.0016 1.6740 1.6762 2.0972 2.1149 2.1530 2.1623 2.2043 2.2163 2.3026 2.3040 2.3398 2.3404 2.6695 2.6726 2.8301 2.8401 2.8948 2.8965 3.7380 3.7543 3.8491 3.9193 3.9342 3.9631 3.9778 4.0419 4.0762 4.0774 4.0935 4.0970 4.2825 4.3487 4.3708 4.3745 4.4871 4.4977 4.5938 4.6619 4.6664 4.7055 4.7706 4.7946 6.0591 6.0592 6.1647 6.1653 6.2177 6.2179 7.8957 7.8996 7.9676 7.9711 8.3919 8.3975 8.5881 8.5932 8.5997 8.6008 10.7732 10.7799 11.0935 11.0946 k = 0.3214 0.5000 0.3214 ( 5884 PWs) bands (ev): -58.1133 -58.1133 -32.5607 -32.5607 -31.7379 -31.7379 -31.7378 -31.7378 -6.8848 -6.8843 -6.5972 -6.5971 -6.4984 -6.4964 -6.4619 -6.4607 0.8330 0.8388 0.9188 0.9216 1.0237 1.0251 1.6853 1.6879 2.0869 2.1040 2.1458 2.1528 2.1992 2.2099 2.3064 2.3074 2.3448 2.3466 2.6509 2.6539 2.8364 2.8466 2.9040 2.9057 3.7291 3.7492 3.8500 3.9131 3.9315 3.9664 3.9801 4.0456 4.0760 4.0774 4.0959 4.0987 4.2814 4.3499 4.3747 4.3771 4.4886 4.5009 4.6068 4.6700 4.6765 4.7093 4.7919 4.8202 6.0193 6.0206 6.1326 6.1326 6.1835 6.1849 7.8846 7.8889 7.9553 7.9598 8.3645 8.3691 8.5749 8.5794 8.5873 8.5876 10.7956 10.8025 11.1567 11.1578 k = 0.3095 0.5000 0.3095 ( 5888 PWs) bands (ev): -58.1133 -58.1133 -32.5607 -32.5607 -31.7379 -31.7379 -31.7377 -31.7377 -6.9033 -6.9028 -6.6008 -6.6008 -6.4887 -6.4866 -6.4526 -6.4514 0.8335 0.8397 0.9302 0.9331 1.0477 1.0489 1.6958 1.6990 2.0769 2.0936 2.1388 2.1436 2.1941 2.2036 2.3109 2.3117 2.3503 2.3533 2.6320 2.6348 2.8440 2.8542 2.9138 2.9153 3.7198 3.7432 3.8511 3.9070 3.9288 3.9709 3.9817 4.0482 4.0762 4.0772 4.0982 4.1008 4.2817 4.3519 4.3792 4.3810 4.4894 4.5043 4.6182 4.6737 4.6903 4.7121 4.8132 4.8459 5.9800 5.9831 6.0997 6.1007 6.1480 6.1516 7.8741 7.8789 7.9418 7.9475 8.3382 8.3416 8.5606 8.5642 8.5733 8.5741 10.8188 10.8257 11.2224 11.2236 k = 0.2976 0.5000 0.2976 ( 5896 PWs) bands (ev): -58.1133 -58.1133 -32.5607 -32.5607 -31.7379 -31.7379 -31.7377 -31.7377 -6.9218 -6.9212 -6.6048 -6.6048 -6.4786 -6.4765 -6.4433 -6.4420 0.8333 0.8398 0.9414 0.9445 1.0718 1.0728 1.7054 1.7092 2.0673 2.0836 2.1320 2.1347 2.1888 2.1972 2.3162 2.3170 2.3563 2.3604 2.6129 2.6155 2.8530 2.8630 2.9241 2.9254 3.7104 3.7363 3.8523 3.9011 3.9261 3.9763 3.9822 4.0497 4.0766 4.0767 4.1003 4.1035 4.2835 4.3548 4.3839 4.3863 4.4893 4.5079 4.6256 4.6802 4.6982 4.7188 4.8344 4.8715 5.9412 5.9465 6.0671 6.0693 6.1118 6.1183 7.8642 7.8694 7.9270 7.9340 8.3134 8.3155 8.5451 8.5477 8.5584 8.5604 10.8425 10.8493 11.2905 11.2917 k = 0.2857 0.5000 0.2857 ( 5896 PWs) bands (ev): -58.1133 -58.1133 -32.5607 -32.5607 -31.7379 -31.7379 -31.7377 -31.7377 -6.9402 -6.9396 -6.6090 -6.6090 -6.4682 -6.4661 -6.4339 -6.4326 0.8323 0.8391 0.9523 0.9555 1.0960 1.0965 1.7139 1.7183 2.0584 2.0743 2.1256 2.1264 2.1836 2.1910 2.3226 2.3235 2.3628 2.3680 2.5939 2.5962 2.8634 2.8730 2.9350 2.9359 3.7013 3.7289 3.8532 3.8954 3.9235 3.9816 3.9827 4.0501 4.0757 4.0774 4.1024 4.1070 4.2865 4.3584 4.3884 4.3927 4.4884 4.5120 4.6267 4.6916 4.6970 4.7330 4.8555 4.8969 5.9029 5.9109 6.0350 6.0388 6.0754 6.0855 7.8550 7.8606 7.9107 7.9191 8.2907 8.2910 8.5285 8.5301 8.5431 8.5463 10.8662 10.8730 11.3606 11.3620 k = 0.2738 0.5000 0.2738 ( 5894 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7379 -31.7379 -31.7376 -31.7376 -6.9585 -6.9579 -6.6135 -6.6135 -6.4576 -6.4554 -6.4245 -6.4232 0.8306 0.8376 0.9629 0.9661 1.1198 1.1200 1.7212 1.7263 2.0501 2.0656 2.1187 2.1196 2.1783 2.1849 2.3300 2.3311 2.3698 2.3759 2.5751 2.5770 2.8752 2.8843 2.9464 2.9469 3.6925 3.7212 3.8537 3.8900 3.9210 3.9798 3.9898 4.0493 4.0745 4.0782 4.1045 4.1115 4.2908 4.3625 4.3922 4.4003 4.4866 4.5164 4.6221 4.6910 4.7079 4.7504 4.8764 4.9221 5.8644 5.8757 6.0038 6.0094 6.0395 6.0540 7.8465 7.8524 7.8930 7.9028 8.2688 8.2702 8.5107 8.5114 8.5276 8.5320 10.8899 10.8964 11.4324 11.4340 k = 0.2619 0.5000 0.2619 ( 5902 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7379 -31.7379 -31.7376 -31.7376 -6.9765 -6.9759 -6.6182 -6.6182 -6.4468 -6.4446 -6.4151 -6.4138 0.8280 0.8352 0.9729 0.9761 1.1429 1.1431 1.7274 1.7330 2.0425 2.0577 2.1117 2.1141 2.1731 2.1790 2.3383 2.3398 2.3773 2.3842 2.5567 2.5582 2.8884 2.8968 2.9582 2.9585 3.6842 3.7131 3.8537 3.8847 3.9186 3.9768 3.9976 4.0474 4.0730 4.0790 4.1066 4.1171 4.2962 4.3669 4.3951 4.4088 4.4841 4.5209 4.6135 4.6819 4.7276 4.7692 4.8969 4.9467 5.8253 5.8403 5.9739 5.9811 6.0052 6.0243 7.8385 7.8448 7.8738 7.8850 8.2489 8.2521 8.4918 8.4920 8.5123 8.5174 10.9130 10.9193 11.5055 11.5073 k = 0.2500 0.5000 0.2500 ( 5904 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7379 -31.7378 -31.7376 -31.7376 -6.9943 -6.9937 -6.6231 -6.6231 -6.4359 -6.4337 -6.4058 -6.4044 0.8245 0.8319 0.9822 0.9855 1.1651 1.1658 1.7322 1.7385 2.0358 2.0507 2.1055 2.1092 2.1679 2.1732 2.3476 2.3494 2.3854 2.3928 2.5388 2.5398 2.9031 2.9105 2.9705 2.9707 3.6766 3.7050 3.8531 3.8796 3.9163 3.9729 4.0059 4.0443 4.0716 4.0796 4.1088 4.1237 4.3024 4.3717 4.3966 4.4178 4.4809 4.5251 4.6024 4.6704 4.7499 4.7891 4.9170 4.9708 5.7851 5.8041 5.9458 5.9536 5.9741 5.9970 7.8311 7.8377 7.8533 7.8659 8.2317 8.2367 8.4719 8.4720 8.4971 8.5029 10.9354 10.9415 11.5795 11.5818 k = 0.2381 0.5000 0.2381 ( 5904 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7378 -31.7378 -31.7375 -31.7375 -7.0117 -7.0111 -6.6281 -6.6281 -6.4249 -6.4227 -6.3965 -6.3952 0.8201 0.8276 0.9909 0.9942 1.1863 1.1875 1.7359 1.7427 2.0301 2.0448 2.1001 2.1049 2.1629 2.1676 2.3575 2.3596 2.3940 2.4016 2.5216 2.5221 2.9192 2.9256 2.9830 2.9837 3.6696 3.6970 3.8519 3.8747 3.9143 3.9681 4.0145 4.0400 4.0704 4.0801 4.1110 4.1311 4.3093 4.3766 4.3968 4.4267 4.4775 4.5281 4.5903 4.6569 4.7743 4.8100 4.9365 4.9943 5.7434 5.7662 5.9197 5.9262 5.9477 5.9725 7.8241 7.8303 7.8323 7.8454 8.2172 8.2239 8.4514 8.4518 8.4823 8.4884 10.9569 10.9626 11.6540 11.6568 k = 0.2262 0.5000 0.2262 ( 5902 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7378 -31.7378 -31.7375 -31.7375 -7.0286 -7.0281 -6.6332 -6.6332 -6.4139 -6.4117 -6.3873 -6.3860 0.8148 0.8224 0.9989 1.0021 1.2065 1.2081 1.7385 1.7457 2.0256 2.0401 2.0955 2.1011 2.1579 2.1623 2.3678 2.3702 2.4031 2.4107 2.5052 2.5053 2.9366 2.9418 2.9960 2.9973 3.6632 3.6891 3.8499 3.8699 3.9126 3.9627 4.0233 4.0346 4.0695 4.0805 4.1133 4.1392 4.3167 4.3816 4.3954 4.4343 4.4750 4.5282 4.5797 4.6418 4.8004 4.8317 4.9553 5.0168 5.6999 5.7264 5.8960 5.8992 5.9265 5.9509 7.8088 7.8170 7.8246 7.8251 8.2052 8.2135 8.4309 8.4312 8.4677 8.4742 10.9771 10.9824 11.7286 11.7321 k = 0.2143 0.5000 0.2143 ( 5898 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7378 -31.7378 -31.7375 -31.7375 -7.0451 -7.0446 -6.6383 -6.6383 -6.4029 -6.4008 -6.3782 -6.3769 0.8088 0.8163 1.0060 1.0092 1.2253 1.2274 1.7401 1.7476 2.0222 2.0365 2.0918 2.0980 2.1531 2.1572 2.3783 2.3809 2.4126 2.4198 2.4894 2.4900 2.9554 2.9593 3.0096 3.0114 3.6575 3.6814 3.8472 3.8653 3.9111 3.9569 4.0283 4.0322 4.0689 4.0809 4.1158 4.1475 4.3241 4.3865 4.3926 4.4380 4.4759 4.5228 4.5735 4.6255 4.8278 4.8540 4.9734 5.0383 5.6548 5.6846 5.8739 5.8748 5.9094 5.9324 7.7855 7.8001 7.8132 7.8194 8.1956 8.2052 8.4105 8.4108 8.4536 8.4602 10.9959 11.0008 11.8025 11.8070 k = 0.2024 0.5000 0.2024 ( 5908 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7378 -31.7378 -31.7374 -31.7374 -7.0611 -7.0605 -6.6435 -6.6435 -6.3921 -6.3900 -6.3693 -6.3681 0.8019 0.8093 1.0123 1.0155 1.2428 1.2453 1.7408 1.7485 2.0200 2.0343 2.0889 2.0955 2.1484 2.1523 2.3884 2.3914 2.4222 2.4289 2.4748 2.4762 2.9754 2.9780 3.0238 3.0261 3.6525 3.6740 3.8436 3.8608 3.9100 3.9509 4.0212 4.0411 4.0685 4.0812 4.1184 4.1559 4.3310 4.3885 4.3911 4.4363 4.4816 4.5118 4.5726 4.6085 4.8561 4.8768 4.9907 5.0586 5.6082 5.6408 5.8511 5.8560 5.8959 5.9169 7.7619 7.7773 7.8075 7.8142 8.1880 8.1988 8.3906 8.3907 8.4399 8.4467 11.0130 11.0175 11.8750 11.8810 k = 0.1905 0.5000 0.1905 ( 5916 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7378 -31.7378 -31.7374 -31.7374 -7.0765 -7.0759 -6.6486 -6.6486 -6.3815 -6.3794 -6.3606 -6.3594 0.7944 0.8017 1.0177 1.0208 1.2588 1.2617 1.7407 1.7484 2.0192 2.0334 2.0868 2.0936 2.1439 2.1477 2.3978 2.4012 2.4315 2.4374 2.4622 2.4646 2.9964 2.9977 3.0385 3.0415 3.6480 3.6667 3.8392 3.8564 3.9091 3.9451 4.0136 4.0497 4.0683 4.0816 4.1209 4.1641 4.3366 4.3833 4.3948 4.4306 4.4910 4.4980 4.5752 4.5913 4.8849 4.8999 5.0069 5.0774 5.5606 5.5957 5.8312 5.8399 5.8852 5.9042 7.7383 7.7539 7.8026 7.8094 8.1821 8.1939 8.3714 8.3715 8.4268 8.4335 11.0285 11.0324 11.9431 11.9523 k = 0.1786 0.5000 0.1786 ( 5916 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7378 -31.7378 -31.7374 -31.7374 -7.0912 -7.0907 -6.6536 -6.6536 -6.3711 -6.3690 -6.3522 -6.3510 0.7864 0.7934 1.0224 1.0254 1.2733 1.2765 1.7399 1.7476 2.0197 2.0339 2.0854 2.0922 2.1395 2.1433 2.4052 2.4095 2.4382 2.4435 2.4545 2.4582 3.0183 3.0183 3.0538 3.0575 3.6439 3.6596 3.8341 3.8520 3.9087 3.9397 4.0057 4.0581 4.0684 4.0822 4.1235 4.1719 4.3397 4.3771 4.3969 4.4234 4.4849 4.5020 4.5748 4.5794 4.9135 4.9229 5.0222 5.0944 5.5123 5.5495 5.8144 5.8265 5.8771 5.8941 7.7150 7.7306 7.7981 7.8050 8.1773 8.1898 8.3535 8.3538 8.4143 8.4210 11.0420 11.0454 11.9838 11.9918 k = 0.1667 0.5000 0.1667 ( 5888 PWs) bands (ev): -58.1133 -58.1133 -32.5605 -32.5605 -31.7378 -31.7378 -31.7373 -31.7373 -7.1052 -7.1047 -6.6585 -6.6585 -6.3609 -6.3590 -6.3441 -6.3429 0.7779 0.7847 1.0262 1.0291 1.2862 1.2897 1.7385 1.7460 2.0215 2.0357 2.0847 2.0913 2.1354 2.1393 2.4086 2.4137 2.4387 2.4442 2.4579 2.4617 3.0397 3.0410 3.0697 3.0742 3.6402 3.6528 3.8285 3.8479 3.9085 3.9349 3.9976 4.0660 4.0691 4.0829 4.1260 4.1791 4.3391 4.3698 4.3954 4.4169 4.4751 4.5135 4.5604 4.5845 4.9416 4.9458 5.0364 5.1095 5.4639 5.5029 5.8008 5.8161 5.8710 5.8861 7.6922 7.7075 7.7942 7.8009 8.1730 8.1861 8.3373 8.3379 8.4024 8.4090 11.0536 11.0564 11.9277 11.9356 k = 0.1548 0.5000 0.1548 ( 5902 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7378 -31.7378 -31.7373 -31.7373 -7.1184 -7.1180 -6.6633 -6.6633 -6.3512 -6.3493 -6.3363 -6.3352 0.7691 0.7756 1.0293 1.0320 1.2975 1.3013 1.7367 1.7439 2.0246 2.0388 2.0845 2.0907 2.1314 2.1355 2.4063 2.4104 2.4417 2.4465 2.4663 2.4694 3.0617 3.0640 3.0861 3.0914 3.6365 3.6458 3.8224 3.8437 3.9084 3.9309 3.9895 4.0690 4.0742 4.0836 4.1280 4.1853 4.3345 4.3601 4.3887 4.4122 4.4708 4.5232 4.5509 4.5899 4.9680 4.9683 5.0494 5.1223 5.4155 5.4562 5.7907 5.8088 5.8667 5.8800 7.6702 7.6851 7.7906 7.7971 8.1687 8.1819 8.3236 8.3243 8.3913 8.3976 11.0632 11.0654 11.8537 11.8648 k = 0.1429 0.5000 0.1429 ( 5896 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7378 -31.7378 -31.7373 -31.7373 -7.1309 -7.1304 -6.6679 -6.6678 -6.3419 -6.3401 -6.3289 -6.3279 0.7602 0.7663 1.0317 1.0343 1.3074 1.3113 1.7344 1.7412 2.0288 2.0430 2.0849 2.0906 2.1277 2.1320 2.4002 2.4030 2.4485 2.4520 2.4752 2.4777 3.0841 3.0872 3.1031 3.1092 3.6326 3.6389 3.8164 3.8397 3.9084 3.9280 3.9817 4.0699 4.0814 4.0846 4.1294 4.1904 4.3269 4.3474 4.3785 4.4071 4.4727 4.5263 4.5522 4.5957 4.9894 4.9932 5.0613 5.1325 5.3677 5.4098 5.7841 5.8047 5.8638 5.8754 7.6491 7.6634 7.7874 7.7937 8.1638 8.1768 8.3128 8.3135 8.3808 8.3870 11.0707 11.0723 11.7802 11.7926 k = 0.1310 0.5000 0.1310 ( 5896 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7377 -31.7377 -31.7373 -31.7373 -7.1425 -7.1421 -6.6722 -6.6722 -6.3331 -6.3314 -6.3219 -6.3209 0.7512 0.7570 1.0335 1.0359 1.3159 1.3197 1.7319 1.7382 2.0340 2.0481 2.0856 2.0908 2.1242 2.1288 2.3929 2.3949 2.4562 2.4587 2.4837 2.4859 3.1066 3.1103 3.1205 3.1276 3.6283 3.6318 3.8107 3.8357 3.9082 3.9264 3.9742 4.0708 4.0857 4.0885 4.1299 4.1941 4.3172 4.3324 4.3668 4.3991 4.4797 4.5256 4.5625 4.6017 5.0097 5.0157 5.0721 5.1400 5.3210 5.3642 5.7811 5.8038 5.8621 5.8720 7.6292 7.6427 7.7845 7.7906 8.1577 8.1701 8.3054 8.3058 8.3712 8.3770 11.0760 11.0770 11.7090 11.7219 k = 0.1190 0.5000 0.1190 ( 5900 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7377 -31.7377 -31.7372 -31.7372 -7.1532 -7.1528 -6.6763 -6.6763 -6.3248 -6.3232 -6.3153 -6.3145 0.7425 0.7478 1.0348 1.0370 1.3230 1.3268 1.7292 1.7349 2.0400 2.0540 2.0867 2.0913 2.1209 2.1258 2.3855 2.3870 2.4640 2.4657 2.4917 2.4935 3.1288 3.1327 3.1383 3.1464 3.6233 3.6244 3.8057 3.8318 3.9078 3.9263 3.9671 4.0718 4.0871 4.0953 4.1290 4.1963 4.3065 4.3163 4.3545 4.3876 4.4904 4.5272 4.5753 4.6078 5.0288 5.0352 5.0818 5.1446 5.2759 5.3196 5.7815 5.8059 5.8614 5.8695 7.6106 7.6232 7.7820 7.7877 8.1504 8.1619 8.3012 8.3013 8.3624 8.3678 11.0791 11.0795 11.6410 11.6542 k = 0.1071 0.5000 0.1071 ( 5890 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7377 -31.7377 -31.7372 -31.7372 -7.1631 -7.1627 -6.6801 -6.6801 -6.3172 -6.3157 -6.3093 -6.3085 0.7341 0.7390 1.0356 1.0377 1.3289 1.3325 1.7264 1.7316 2.0466 2.0604 2.0881 2.0921 2.1179 2.1231 2.3785 2.3797 2.4714 2.4724 2.4990 2.5006 3.1506 3.1543 3.1563 3.1655 3.6168 3.6174 3.8017 3.8282 3.9074 3.9276 3.9606 4.0727 4.0887 4.1021 4.1266 4.1969 4.2943 4.3014 4.3422 4.3732 4.5036 4.5322 4.5889 4.6139 5.0464 5.0514 5.0909 5.1462 5.2329 5.2767 5.7851 5.8107 5.8613 5.8678 7.5934 7.6050 7.7798 7.7851 8.1421 8.1525 8.2996 8.2999 8.3545 8.3594 11.0799 11.0800 11.5774 11.5905 k = 0.0952 0.5000 0.0952 ( 5894 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7377 -31.7377 -31.7372 -31.7372 -7.1719 -7.1716 -6.6835 -6.6835 -6.3102 -6.3088 -6.3038 -6.3030 0.7261 0.7305 1.0361 1.0379 1.3338 1.3372 1.7236 1.7282 2.0535 2.0669 2.0897 2.0930 2.1152 2.1206 2.3720 2.3731 2.4782 2.4786 2.5055 2.5071 3.1713 3.1746 3.1748 3.1846 3.6088 3.6105 3.7989 3.8247 3.9072 3.9300 3.9548 4.0731 4.0907 4.1087 4.1227 4.1958 4.2793 4.2906 4.3303 4.3570 4.5186 4.5400 4.6024 4.6198 5.0624 5.0639 5.0993 5.1439 5.1937 5.2357 5.7913 5.8175 5.8619 5.8666 7.5777 7.5883 7.7780 7.7828 8.1332 8.1424 8.3001 8.3008 8.3474 8.3518 11.0780 11.0787 11.5192 11.5320 k = 0.0833 0.5000 0.0833 ( 5896 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7377 -31.7377 -31.7372 -31.7372 -7.1798 -7.1795 -6.6866 -6.6866 -6.3038 -6.3026 -6.2988 -6.2982 0.7187 0.7226 1.0363 1.0379 1.3377 1.3408 1.7209 1.7249 2.0604 2.0734 2.0913 2.0942 2.1127 2.1183 2.3662 2.3671 2.4843 2.4844 2.5113 2.5128 3.1904 3.1930 3.1941 3.2030 3.6004 3.6026 3.7974 3.8214 3.9074 3.9336 3.9495 4.0721 4.0930 4.1149 4.1183 4.1929 4.2637 4.2829 4.3188 4.3400 4.5347 4.5497 4.6154 4.6251 5.0728 5.0767 5.1071 5.1334 5.1636 5.1974 5.7997 5.8257 5.8629 5.8658 7.5638 7.5732 7.7764 7.7807 8.1241 8.1321 8.3024 8.3032 8.3412 8.3450 11.0741 11.0751 11.4675 11.4796 k = 0.0714 0.5000 0.0714 ( 5882 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7377 -31.7377 -31.7372 -31.7372 -7.1867 -7.1865 -6.6894 -6.6894 -6.2983 -6.2972 -6.2944 -6.2939 0.7121 0.7155 1.0363 1.0377 1.3409 1.3436 1.7184 1.7218 2.0669 2.0793 2.0931 2.0957 2.1108 2.1163 2.3611 2.3619 2.4894 2.4898 2.5163 2.5178 3.2079 3.2110 3.2121 3.2202 3.5919 3.5940 3.7970 3.8185 3.9083 3.9382 3.9448 4.0686 4.0957 4.1133 4.1223 4.1886 4.2489 4.2775 4.3074 4.3237 4.5515 4.5607 4.6276 4.6298 5.0789 5.0886 5.1090 5.1128 5.1497 5.1631 5.8093 5.8346 5.8643 5.8654 7.5515 7.5597 7.7751 7.7789 8.1153 8.1222 8.3056 8.3064 8.3359 8.3390 11.0683 11.0695 11.4230 11.4341 k = 0.0595 0.5000 0.0595 ( 5886 PWs) bands (ev): -58.1133 -58.1133 -32.5604 -32.5604 -31.7377 -31.7377 -31.7372 -31.7372 -7.1926 -7.1924 -6.6918 -6.6918 -6.2935 -6.2926 -6.2907 -6.2902 0.7063 0.7092 1.0362 1.0374 1.3434 1.3457 1.7163 1.7190 2.0728 2.0844 2.0949 2.0974 2.1092 2.1143 2.3566 2.3574 2.4937 2.4945 2.5205 2.5220 3.2242 3.2275 3.2286 3.2355 3.5833 3.5850 3.7976 3.8158 3.9097 3.9406 3.9440 4.0613 4.0988 4.1112 4.1288 4.1829 4.2357 4.2741 4.2944 4.3102 4.5685 4.5722 4.6334 4.6382 5.0783 5.0821 5.1016 5.1111 5.1391 5.1423 5.8193 5.8431 5.8653 5.8659 7.5411 7.5480 7.7741 7.7773 8.1074 8.1131 8.3092 8.3099 8.3315 8.3339 11.0611 11.0623 11.3862 11.3959 k = 0.0476 0.5000 0.0476 ( 5886 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7377 -31.7377 -31.7371 -31.7371 -7.1974 -7.1972 -6.6937 -6.6937 -6.2895 -6.2888 -6.2875 -6.2872 0.7015 0.7038 1.0361 1.0370 1.3453 1.3472 1.7144 1.7166 2.0779 2.0881 2.0969 2.0994 2.1083 2.1126 2.3529 2.3536 2.4974 2.4983 2.5241 2.5254 3.2389 3.2418 3.2432 3.2485 3.5752 3.5763 3.7988 3.8133 3.9117 3.9368 3.9510 4.0504 4.1023 4.1114 4.1350 4.1763 4.2249 4.2725 4.2794 4.3003 4.5838 4.5853 4.6359 4.6467 5.0538 5.0786 5.0980 5.1095 5.1345 5.1362 5.8290 5.8503 5.8659 5.8678 7.5326 7.5382 7.7733 7.7760 8.1006 8.1051 8.3129 8.3132 8.3281 8.3297 11.0531 11.0541 11.3573 11.3654 k = 0.0357 0.5000 0.0357 ( 5894 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7377 -31.7377 -31.7371 -31.7371 -7.2012 -7.2010 -6.6953 -6.6952 -6.2864 -6.2859 -6.2850 -6.2848 0.6978 0.6995 1.0359 1.0366 1.3467 1.3482 1.7129 1.7146 2.0819 2.0902 2.0990 2.1015 2.1080 2.1110 2.3500 2.3506 2.5003 2.5012 2.5268 2.5279 3.2515 3.2536 3.2552 3.2588 3.5679 3.5685 3.8003 3.8111 3.9142 3.9333 3.9595 4.0371 4.1061 4.1132 4.1403 4.1692 4.2176 4.2638 4.2724 4.2930 4.5949 4.6010 4.6372 4.6522 5.0343 5.0606 5.0953 5.1145 5.1320 5.1360 5.8376 5.8548 5.8676 5.8699 7.5261 7.5303 7.7728 7.7748 8.0951 8.0985 8.3158 8.3161 8.3258 8.3264 11.0453 11.0461 11.3359 11.3421 k = 0.0238 0.5000 0.0238 ( 5894 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7377 -31.7377 -31.7371 -31.7371 -7.2038 -7.2038 -6.6964 -6.6964 -6.2842 -6.2839 -6.2832 -6.2830 0.6951 0.6963 1.0358 1.0363 1.3478 1.3487 1.7119 1.7130 2.0851 2.0908 2.1010 2.1034 2.1081 2.1096 2.3479 2.3483 2.5025 2.5032 2.5289 2.5297 3.2615 3.2625 3.2642 3.2661 3.5621 3.5623 3.8020 3.8091 3.9171 3.9299 3.9696 4.0227 4.1101 4.1153 4.1443 4.1623 4.2149 4.2489 4.2735 4.2872 4.6049 4.6141 4.6379 4.6542 5.0214 5.0413 5.0976 5.1142 5.1318 5.1373 5.8445 5.8562 5.8703 5.8718 7.5216 7.5244 7.7726 7.7739 8.0913 8.0935 8.3175 8.3184 8.3242 8.3245 11.0387 11.0393 11.3216 11.3258 k = 0.0119 0.5000 0.0119 ( 5910 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7377 -31.7377 -31.7371 -31.7371 -7.2055 -7.2054 -6.6970 -6.6970 -6.2829 -6.2827 -6.2820 -6.2819 0.6936 0.6942 1.0358 1.0360 1.3485 1.3490 1.7114 1.7119 2.0874 2.0903 2.1027 2.1044 2.1084 2.1086 2.3467 2.3469 2.5039 2.5043 2.5302 2.5306 3.2680 3.2684 3.2696 3.2702 3.5582 3.5583 3.8037 3.8072 3.9202 3.9266 3.9812 4.0081 4.1136 4.1166 4.1475 4.1561 4.2175 4.2355 4.2756 4.2824 4.6134 4.6209 4.6408 4.6523 5.0157 5.0263 5.1011 5.1102 5.1341 5.1374 5.8497 5.8554 5.8727 5.8732 7.5191 7.5205 7.7725 7.7732 8.0891 8.0903 8.3184 8.3192 8.3234 8.3240 11.0344 11.0347 11.3137 11.3158 k = 0.0000 0.5000-0.0000 ( 5910 PWs) bands (ev): -58.1133 -58.1133 -32.5603 -32.5603 -31.7377 -31.7377 -31.7371 -31.7371 -7.2060 -7.2060 -6.6972 -6.6972 -6.2824 -6.2824 -6.2815 -6.2815 0.6933 0.6933 1.0358 1.0358 1.3489 1.3489 1.7114 1.7114 2.0892 2.0892 2.1040 2.1040 2.1084 2.1084 2.3464 2.3464 2.5045 2.5045 2.5308 2.5308 3.2709 3.2709 3.2709 3.2709 3.5569 3.5569 3.8055 3.8055 3.9233 3.9233 3.9941 3.9941 4.1161 4.1161 4.1511 4.1511 4.2247 4.2247 4.2785 4.2785 4.6195 4.6195 4.6471 4.6471 5.0175 5.0175 5.1055 5.1055 5.1363 5.1363 5.8533 5.8533 5.8737 5.8737 7.5188 7.5188 7.7727 7.7727 8.0888 8.0888 8.3189 8.3189 8.3237 8.3237 11.0329 11.0329 11.3119 11.3119 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7374 -31.7374 -6.9126 -6.9126 -6.5966 -6.5966 -6.5889 -6.5889 -6.3787 -6.3787 1.0478 1.0478 1.0567 1.0567 1.0970 1.0970 1.9562 1.9562 2.0577 2.0577 2.0816 2.0816 2.1112 2.1112 2.1248 2.1248 2.4414 2.4414 2.5745 2.5745 2.7633 2.7633 2.7778 2.7778 3.6941 3.6941 3.8882 3.8882 3.9131 3.9131 4.0241 4.0241 4.0881 4.0881 4.2347 4.2347 4.2729 4.2729 4.6020 4.6020 4.6155 4.6155 4.6845 4.6845 4.7447 4.7447 4.8335 4.8335 5.5110 5.5110 5.5318 5.5318 6.3007 6.3007 7.7311 7.7311 7.9502 7.9502 8.0924 8.0924 8.5090 8.5090 8.5162 8.5162 11.6056 11.6056 11.6097 11.6097 k = 0.5000 0.5000 0.0167 ( 5892 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7374 -31.7374 -6.9122 -6.9122 -6.5965 -6.5965 -6.5889 -6.5889 -6.3790 -6.3790 1.0470 1.0470 1.0560 1.0560 1.0962 1.0962 1.9532 1.9532 2.0596 2.0596 2.0820 2.0820 2.1117 2.1117 2.1253 2.1253 2.4412 2.4412 2.5757 2.5757 2.7634 2.7634 2.7780 2.7780 3.6945 3.6945 3.8885 3.8885 3.9128 3.9128 4.0243 4.0243 4.0882 4.0882 4.2336 4.2336 4.2720 4.2720 4.6011 4.6011 4.6153 4.6153 4.6845 4.6845 4.7441 4.7441 4.8337 4.8337 5.5131 5.5131 5.5350 5.5350 6.3012 6.3012 7.7303 7.7303 7.9531 7.9531 8.0923 8.0923 8.5096 8.5096 8.5168 8.5168 11.6031 11.6031 11.6071 11.6071 k = 0.5000 0.5000 0.0333 ( 5884 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7374 -31.7374 -6.9110 -6.9110 -6.5964 -6.5964 -6.5888 -6.5888 -6.3799 -6.3799 1.0448 1.0448 1.0537 1.0537 1.0936 1.0936 1.9448 1.9448 2.0646 2.0646 2.0830 2.0830 2.1132 2.1132 2.1266 2.1266 2.4404 2.4404 2.5792 2.5792 2.7639 2.7639 2.7785 2.7785 3.6958 3.6958 3.8892 3.8892 3.9119 3.9119 4.0250 4.0250 4.0887 4.0887 4.2304 4.2304 4.2693 4.2693 4.5985 4.5985 4.6146 4.6146 4.6844 4.6844 4.7423 4.7423 4.8339 4.8339 5.5196 5.5196 5.5443 5.5443 6.3025 6.3025 7.7281 7.7281 7.9615 7.9615 8.0921 8.0921 8.5113 8.5113 8.5185 8.5185 11.5955 11.5955 11.5994 11.5994 k = 0.5000 0.5000 0.0500 ( 5892 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7374 -31.7374 -6.9091 -6.9091 -6.5961 -6.5961 -6.5886 -6.5886 -6.3814 -6.3814 1.0411 1.0411 1.0500 1.0500 1.0895 1.0895 1.9325 1.9325 2.0711 2.0711 2.0849 2.0849 2.1155 2.1155 2.1287 2.1287 2.4391 2.4391 2.5850 2.5850 2.7646 2.7646 2.7793 2.7793 3.6978 3.6978 3.8904 3.8904 3.9103 3.9103 4.0260 4.0260 4.0894 4.0894 4.2251 4.2251 4.2649 4.2649 4.5946 4.5946 4.6133 4.6133 4.6840 4.6840 4.7394 4.7394 4.8343 4.8343 5.5306 5.5306 5.5591 5.5591 6.3047 6.3047 7.7252 7.7252 7.9750 7.9750 8.0917 8.0917 8.5141 8.5141 8.5212 8.5212 11.5828 11.5828 11.5866 11.5866 k = 0.5000 0.5000 0.0667 ( 5904 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7374 -31.7374 -6.9063 -6.9063 -6.5958 -6.5958 -6.5883 -6.5883 -6.3834 -6.3834 1.0359 1.0359 1.0449 1.0449 1.0837 1.0837 1.9175 1.9175 2.0776 2.0776 2.0882 2.0882 2.1187 2.1187 2.1316 2.1316 2.4373 2.4373 2.5927 2.5927 2.7655 2.7655 2.7805 2.7805 3.7006 3.7006 3.8920 3.8920 3.9081 3.9081 4.0273 4.0273 4.0903 4.0903 4.2181 4.2181 4.2591 4.2591 4.5895 4.5895 4.6111 4.6111 4.6829 4.6829 4.7354 4.7354 4.8345 4.8345 5.5466 5.5466 5.5790 5.5790 6.3077 6.3077 7.7220 7.7220 7.9927 7.9927 8.0913 8.0913 8.5180 8.5180 8.5250 8.5250 11.5652 11.5652 11.5687 11.5687 k = 0.5000 0.5000 0.0833 ( 5908 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7375 -31.7375 -6.9028 -6.9028 -6.5954 -6.5954 -6.5879 -6.5879 -6.3861 -6.3861 1.0295 1.0295 1.0385 1.0385 1.0764 1.0764 1.9007 1.9007 2.0826 2.0826 2.0939 2.0939 2.1226 2.1226 2.1353 2.1353 2.4349 2.4349 2.6022 2.6022 2.7667 2.7667 2.7819 2.7819 3.7042 3.7042 3.8941 3.8941 3.9054 3.9054 4.0288 4.0288 4.0914 4.0914 4.2096 4.2096 4.2521 4.2521 4.5837 4.5837 4.6083 4.6083 4.6809 4.6809 4.7304 4.7304 4.8345 4.8345 5.5673 5.5673 5.6034 5.6034 6.3115 6.3115 7.7194 7.7194 8.0138 8.0138 8.0909 8.0909 8.5229 8.5229 8.5298 8.5298 11.5425 11.5425 11.5458 11.5458 k = 0.5000 0.5000 0.1000 ( 5908 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7375 -31.7375 -6.8985 -6.8985 -6.5949 -6.5949 -6.5875 -6.5875 -6.3894 -6.3894 1.0219 1.0219 1.0308 1.0308 1.0677 1.0677 1.8826 1.8826 2.0864 2.0864 2.1011 2.1011 2.1273 2.1273 2.1398 2.1398 2.4321 2.4321 2.6132 2.6132 2.7681 2.7681 2.7836 2.7836 3.7085 3.7085 3.8965 3.8965 3.9022 3.9022 4.0305 4.0305 4.0928 4.0928 4.1999 4.1999 4.2445 4.2445 4.5772 4.5772 4.6048 4.6048 4.6777 4.6777 4.7247 4.7247 4.8341 4.8341 5.5927 5.5927 5.6319 5.6319 6.3160 6.3160 7.7178 7.7178 8.0373 8.0373 8.0911 8.0911 8.5287 8.5287 8.5354 8.5354 11.5151 11.5151 11.5180 11.5180 k = 0.5000 0.5000 0.1167 ( 5924 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7375 -31.7375 -6.8935 -6.8935 -6.5943 -6.5943 -6.5870 -6.5870 -6.3932 -6.3932 1.0131 1.0131 1.0220 1.0220 1.0576 1.0576 1.8637 1.8637 2.0899 2.0899 2.1089 2.1089 2.1326 2.1326 2.1450 2.1450 2.4288 2.4288 2.6254 2.6254 2.7698 2.7698 2.7856 2.7856 3.7135 3.7135 3.8982 3.8982 3.8998 3.8998 4.0322 4.0322 4.0941 4.0941 4.1893 4.1893 4.2366 4.2366 4.5701 4.5701 4.6006 4.6006 4.6731 4.6731 4.7183 4.7183 4.8331 4.8331 5.6224 5.6224 5.6641 5.6641 6.3213 6.3213 7.7177 7.7177 8.0607 8.0607 8.0937 8.0937 8.5353 8.5353 8.5419 8.5419 11.4830 11.4830 11.4856 11.4856 k = 0.5000 0.5000 0.1333 ( 5908 PWs) bands (ev): -58.1133 -58.1133 -32.5606 -32.5606 -31.7380 -31.7380 -31.7375 -31.7375 -6.8877 -6.8877 -6.5936 -6.5936 -6.5864 -6.5864 -6.3976 -6.3976 1.0034 1.0034 1.0122 1.0122 1.0464 1.0464 1.8443 1.8443 2.0935 2.0935 2.1167 2.1167 2.1384 2.1384 2.1509 2.1509 2.4251 2.4251 2.6386 2.6386 2.7717 2.7717 2.7879 2.7879 3.7192 3.7192 3.8945 3.8945 3.9028 3.9028 4.0339 4.0339 4.0955 4.0955 4.1781 4.1781 4.2292 4.2292 4.5625 4.5625 4.5960 4.5960 4.6672 4.6672 4.7113 4.7113 4.8314 4.8314 5.6562 5.6562 5.6996 5.6996 6.3272 6.3272 7.7193 7.7193 8.0755 8.0755 8.1069 8.1069 8.5427 8.5427 8.5491 8.5491 11.4466 11.4466 11.4488 11.4488 k = 0.5000 0.5000 0.1500 ( 5916 PWs) bands (ev): -58.1133 -58.1133 -32.5607 -32.5607 -31.7380 -31.7380 -31.7375 -31.7375 -6.8813 -6.8813 -6.5929 -6.5929 -6.5858 -6.5858 -6.4025 -6.4025 0.9928 0.9928 1.0016 1.0016 1.0341 1.0341 1.8246 1.8246 2.0974 2.0974 2.1246 2.1246 2.1446 2.1446 2.1575 2.1575 2.4209 2.4209 2.6523 2.6523 2.7738 2.7738 2.7904 2.7904 3.7253 3.7253 3.8903 3.8903 3.9063 3.9063 4.0355 4.0355 4.0966 4.0966 4.1665 4.1665 4.2225 4.2225 4.5543 4.5543 4.5909 4.5909 4.6598 4.6598 4.7039 4.7039 4.8287 4.8287 5.6934 5.6934 5.7380 5.7380 6.3337 6.3337 7.7229 7.7229 8.0787 8.0787 8.1335 8.1335 8.5506 8.5506 8.5569 8.5569 11.4062 11.4062 11.4080 11.4080 k = 0.5000 0.5000 0.1667 ( 5900 PWs) bands (ev): -58.1133 -58.1133 -32.5607 -32.5607 -31.7380 -31.7380 -31.7376 -31.7376 -6.8742 -6.8742 -6.5922 -6.5922 -6.5851 -6.5851 -6.4081 -6.4081 0.9815 0.9815 0.9902 0.9902 1.0210 1.0210 1.8049 1.8049 2.1017 2.1017 2.1323 2.1323 2.1511 2.1511 2.1646 2.1646 2.4164 2.4164 2.6662 2.6662 2.7760 2.7760 2.7931 2.7931 3.7319 3.7319 3.8859 3.8859 3.9101 3.9101 4.0369 4.0369 4.0972 4.0972 4.1548 4.1548 4.2173 4.2173 4.5457 4.5457 4.5855 4.5855 4.6511 4.6511 4.6961 4.6961 4.8249 4.8249 5.7337 5.7337 5.7789 5.7789 6.3408 6.3408 7.7287 7.7287 8.0784 8.0784 8.1648 8.1648 8.5591 8.5591 8.5652 8.5652 11.3623 11.3623 11.3638 11.3638 k = 0.5000 0.5000 0.1833 ( 5908 PWs) bands (ev): -58.1133 -58.1133 -32.5607 -32.5607 -31.7380 -31.7380 -31.7376 -31.7376 -6.8664 -6.8664 -6.5913 -6.5913 -6.5844 -6.5844 -6.4141 -6.4141 0.9696 0.9696 0.9783 0.9783 1.0070 1.0070 1.7851 1.7851 2.1063 2.1063 2.1400 2.1400 2.1579 2.1579 2.1722 2.1722 2.4113 2.4113 2.6803 2.6803 2.7784 2.7784 2.7960 2.7960 3.7387 3.7387 3.8815 3.8815 3.9142 3.9142 4.0380 4.0380 4.0971 4.0971 4.1432 4.1432 4.2138 4.2138 4.5365 4.5365 4.5798 4.5798 4.6412 4.6412 4.6879 4.6879 4.8198 4.8198 5.7766 5.7766 5.8219 5.8219 6.3483 6.3483 7.7367 7.7367 8.0771 8.0771 8.1982 8.1982 8.5679 8.5679 8.5737 8.5737 11.3154 11.3154 11.3167 11.3167 k = 0.5000 0.5000 0.2000 ( 5912 PWs) bands (ev): -58.1133 -58.1133 -32.5607 -32.5607 -31.7380 -31.7380 -31.7376 -31.7376 -6.8581 -6.8581 -6.5905 -6.5905 -6.5837 -6.5837 -6.4207 -6.4207 0.9573 0.9573 0.9659 0.9659 0.9926 0.9926 1.7657 1.7657 2.1113 2.1113 2.1477 2.1477 2.1648 2.1648 2.1801 2.1801 2.4059 2.4059 2.6941 2.6941 2.7809 2.7809 2.7990 2.7990 3.7456 3.7456 3.8773 3.8773 3.9184 3.9184 4.0389 4.0389 4.0961 4.0961 4.1321 4.1321 4.2124 4.2124 4.5270 4.5270 4.5740 4.5740 4.6303 4.6303 4.6794 4.6794 4.8134 4.8134 5.8216 5.8216 5.8666 5.8666 6.3561 6.3561 7.7469 7.7469 8.0754 8.0754 8.2327 8.2327 8.5768 8.5768 8.5825 8.5825 11.2661 11.2661 11.2673 11.2673 k = 0.5000 0.5000 0.2167 ( 5904 PWs) bands (ev): -58.1133 -58.1133 -32.5607 -32.5607 -31.7380 -31.7380 -31.7377 -31.7377 -6.8491 -6.8491 -6.5896 -6.5896 -6.5829 -6.5829 -6.4279 -6.4279 0.9447 0.9447 0.9533 0.9533 0.9778 0.9778 1.7465 1.7465 2.1167 2.1167 2.1555 2.1555 2.1718 2.1718 2.1884 2.1884 2.4002 2.4002 2.7076 2.7076 2.7836 2.7836 2.8022 2.8022 3.7524 3.7524 3.8735 3.8735 3.9227 3.9227 4.0393 4.0393 4.0938 4.0938 4.1222 4.1222 4.2132 4.2132 4.5171 4.5171 4.5682 4.5682 4.6186 4.6186 4.6707 4.6707 4.8057 4.8057 5.8683 5.8683 5.9125 5.9125 6.3642 6.3642 7.7593 7.7593 8.0735 8.0735 8.2680 8.2680 8.5858 8.5858 8.5913 8.5913 11.2149 11.2149 11.2163 11.2163 k = 0.5000 0.5000 0.2333 ( 5916 PWs) bands (ev): -58.1133 -58.1133 -32.5607 -32.5607 -31.7380 -31.7380 -31.7377 -31.7377 -6.8396 -6.8396 -6.5886 -6.5886 -6.5821 -6.5821 -6.4355 -6.4355 0.9320 0.9320 0.9405 0.9405 0.9627 0.9627 1.7277 1.7277 2.1223 2.1223 2.1633 2.1633 2.1787 2.1787 2.1968 2.1968 2.3940 2.3940 2.7205 2.7205 2.7862 2.7862 2.8054 2.8054 3.7586 3.7586 3.8704 3.8704 3.9271 3.9271 4.0391 4.0391 4.0900 4.0900 4.1139 4.1139 4.2162 4.2162 4.5070 4.5070 4.5623 4.5623 4.6062 4.6062 4.6617 4.6617 4.7965 4.7965 5.9160 5.9160 5.9593 5.9593 6.3725 6.3725 7.7739 7.7739 8.0714 8.0714 8.3035 8.3035 8.5947 8.5947 8.6000 8.6000 11.1625 11.1625 11.1643 11.1643 k = 0.5000 0.5000 0.2500 ( 5940 PWs) bands (ev): -58.1133 -58.1133 -32.5607 -32.5607 -31.7380 -31.7380 -31.7377 -31.7377 -6.8296 -6.8296 -6.5877 -6.5877 -6.5813 -6.5813 -6.4436 -6.4436 0.9193 0.9193 0.9277 0.9277 0.9477 0.9477 1.7095 1.7095 2.1283 2.1283 2.1712 2.1712 2.1856 2.1856 2.2053 2.2053 2.3876 2.3876 2.7327 2.7327 2.7889 2.7889 2.8087 2.8087 3.7640 3.7640 3.8683 3.8683 3.9314 3.9314 4.0381 4.0381 4.0850 4.0850 4.1076 4.1076 4.2211 4.2211 4.4967 4.4967 4.5564 4.5564 4.5935 4.5935 4.6525 4.6525 4.7857 4.7857 5.9644 5.9644 6.0065 6.0065 6.3809 6.3809 7.7905 7.7905 8.0692 8.0692 8.3391 8.3391 8.6034 8.6034 8.6085 8.6085 11.1096 11.1096 11.1119 11.1119 k = 0.5000 0.5000 0.2667 ( 5916 PWs) bands (ev): -58.1133 -58.1133 -32.5607 -32.5607 -31.7380 -31.7380 -31.7377 -31.7377 -6.8191 -6.8191 -6.5868 -6.5868 -6.5805 -6.5805 -6.4522 -6.4522 0.9067 0.9067 0.9150 0.9150 0.9328 0.9328 1.6920 1.6920 2.1346 2.1346 2.1792 2.1792 2.1925 2.1925 2.2137 2.2137 2.3809 2.3809 2.7441 2.7441 2.7917 2.7917 2.8121 2.8121 3.7684 3.7684 3.8677 3.8677 3.9358 3.9358 4.0362 4.0362 4.0796 4.0796 4.1032 4.1032 4.2280 4.2280 4.4865 4.4865 4.5507 4.5507 4.5806 4.5806 4.6432 4.6432 4.7736 4.7736 6.0130 6.0130 6.0538 6.0538 6.3894 6.3894 7.8089 7.8089 8.0670 8.0670 8.3744 8.3744 8.6117 8.6117 8.6165 8.6165 11.0570 11.0570 11.0597 11.0597 k = 0.5000 0.5000 0.2833 ( 5916 PWs) bands (ev): -58.1133 -58.1133 -32.5608 -32.5608 -31.7380 -31.7380 -31.7378 -31.7378 -6.8082 -6.8082 -6.5858 -6.5858 -6.5798 -6.5798 -6.4612 -6.4612 0.8943 0.8943 0.9026 0.9026 0.9182 0.9182 1.6752 1.6752 2.1411 2.1411 2.1871 2.1871 2.1991 2.1991 2.2220 2.2220 2.3739 2.3739 2.7547 2.7547 2.7944 2.7944 2.8155 2.8155 3.7712 3.7712 3.8686 3.8686 3.9399 3.9399 4.0328 4.0328 4.0749 4.0749 4.0998 4.0998 4.2366 4.2366 4.4763 4.4763 4.5451 4.5451 4.5679 4.5679 4.6338 4.6338 4.7600 4.7600 6.0612 6.0612 6.1006 6.1006 6.3978 6.3978 7.8288 7.8288 8.0648 8.0648 8.4090 8.4090 8.6194 8.6194 8.6241 8.6241 11.0051 11.0051 11.0083 11.0083 k = 0.5000 0.5000 0.3000 ( 5900 PWs) bands (ev): -58.1133 -58.1133 -32.5608 -32.5608 -31.7380 -31.7380 -31.7378 -31.7378 -6.7969 -6.7969 -6.5849 -6.5849 -6.5790 -6.5790 -6.4707 -6.4707 0.8824 0.8824 0.8907 0.8907 0.9041 0.9041 1.6592 1.6592 2.1480 2.1480 2.1950 2.1950 2.2054 2.2054 2.2301 2.2301 2.3668 2.3668 2.7643 2.7643 2.7971 2.7971 2.8189 2.8189 3.7725 3.7725 3.8713 3.8713 3.9439 3.9439 4.0281 4.0281 4.0715 4.0715 4.0971 4.0971 4.2466 4.2466 4.4664 4.4664 4.5394 4.5394 4.5557 4.5557 4.6245 4.6245 4.7451 4.7451 6.1087 6.1087 6.1466 6.1466 6.4061 6.4061 7.8500 7.8500 8.0625 8.0625 8.4425 8.4425 8.6266 8.6266 8.6311 8.6311 10.9547 10.9547 10.9582 10.9582 k = 0.5000 0.5000 0.3167 ( 5892 PWs) bands (ev): -58.1132 -58.1132 -32.5608 -32.5608 -31.7380 -31.7380 -31.7378 -31.7378 -6.7853 -6.7853 -6.5841 -6.5841 -6.5782 -6.5782 -6.4805 -6.4805 0.8709 0.8709 0.8792 0.8792 0.8907 0.8907 1.6441 1.6441 2.1551 2.1551 2.2028 2.2028 2.2115 2.2115 2.2379 2.2379 2.3595 2.3595 2.7730 2.7730 2.7997 2.7997 2.8222 2.8222 3.7724 3.7724 3.8756 3.8756 3.9476 3.9476 4.0222 4.0222 4.0696 4.0696 4.0948 4.0948 4.2580 4.2580 4.4568 4.4568 4.5330 4.5330 4.5449 4.5449 4.6152 4.6152 4.7288 4.7288 6.1548 6.1548 6.1911 6.1911 6.4142 6.4142 7.8722 7.8722 8.0604 8.0604 8.4746 8.4746 8.6331 8.6331 8.6374 8.6374 10.9062 10.9062 10.9102 10.9102 k = 0.5000 0.5000 0.3333 ( 5900 PWs) bands (ev): -58.1133 -58.1133 -32.5608 -32.5608 -31.7380 -31.7380 -31.7379 -31.7379 -6.7735 -6.7735 -6.5832 -6.5832 -6.5776 -6.5776 -6.4906 -6.4906 0.8600 0.8600 0.8684 0.8684 0.8780 0.8780 1.6300 1.6300 2.1623 2.1623 2.2103 2.2103 2.2171 2.2171 2.2452 2.2452 2.3520 2.3520 2.7808 2.7808 2.8022 2.8022 2.8254 2.8254 3.7711 3.7711 3.8812 3.8812 3.9511 3.9511 4.0157 4.0157 4.0687 4.0687 4.0929 4.0929 4.2706 4.2706 4.4477 4.4477 4.5246 4.5246 4.5371 4.5371 4.6059 4.6059 4.7114 4.7114 6.1992 6.1992 6.2338 6.2338 6.4220 6.4220 7.8949 7.8949 8.0582 8.0582 8.5050 8.5050 8.6388 8.6388 8.6430 8.6430 10.8602 10.8602 10.8645 10.8645 k = 0.5000 0.5000 0.3500 ( 5908 PWs) bands (ev): -58.1133 -58.1133 -32.5608 -32.5608 -31.7380 -31.7380 -31.7379 -31.7379 -6.7615 -6.7615 -6.5824 -6.5824 -6.5769 -6.5769 -6.5009 -6.5009 0.8497 0.8497 0.8582 0.8582 0.8662 0.8662 1.6170 1.6170 2.1697 2.1697 2.2176 2.2176 2.2223 2.2223 2.2519 2.2519 2.3444 2.3444 2.7876 2.7876 2.8046 2.8046 2.8285 2.8285 3.7691 3.7691 3.8876 3.8876 3.9541 3.9541 4.0088 4.0088 4.0687 4.0687 4.0912 4.0912 4.2842 4.2842 4.4391 4.4391 4.5148 4.5148 4.5319 4.5319 4.5968 4.5968 4.6929 4.6929 6.2413 6.2413 6.2742 6.2742 6.4295 6.4295 7.9177 7.9177 8.0562 8.0562 8.5334 8.5334 8.6437 8.6437 8.6477 8.6477 10.8172 10.8172 10.8218 10.8218 k = 0.5000 0.5000 0.3667 ( 5912 PWs) bands (ev): -58.1133 -58.1133 -32.5608 -32.5608 -31.7380 -31.7380 -31.7379 -31.7379 -6.7495 -6.7495 -6.5817 -6.5817 -6.5763 -6.5763 -6.5115 -6.5115 0.8403 0.8403 0.8489 0.8489 0.8554 0.8554 1.6051 1.6051 2.1773 2.1773 2.2243 2.2243 2.2271 2.2271 2.2581 2.2581 2.3370 2.3370 2.7935 2.7935 2.8068 2.8068 2.8314 2.8314 3.7666 3.7666 3.8947 3.8947 3.9568 3.9568 4.0019 4.0019 4.0691 4.0691 4.0897 4.0897 4.2987 4.2987 4.4313 4.4313 4.5049 4.5049 4.5283 4.5283 4.5881 4.5881 4.6736 4.6736 6.2807 6.2807 6.3116 6.3116 6.4367 6.4367 7.9402 7.9402 8.0543 8.0543 8.5593 8.5593 8.6478 8.6478 8.6517 8.6517 10.7775 10.7775 10.7824 10.7824 k = 0.5000 0.5000 0.3833 ( 5924 PWs) bands (ev): -58.1133 -58.1133 -32.5608 -32.5608 -31.7380 -31.7380 -31.7379 -31.7379 -6.7375 -6.7375 -6.5811 -6.5811 -6.5757 -6.5757 -6.5222 -6.5222 0.8317 0.8317 0.8405 0.8405 0.8457 0.8457 1.5945 1.5945 2.1849 2.1849 2.2297 2.2297 2.2323 2.2323 2.2635 2.2635 2.3296 2.3296 2.7986 2.7986 2.8087 2.8087 2.8340 2.8340 3.7639 3.7639 3.9020 3.9020 3.9592 3.9592 3.9951 3.9951 4.0700 4.0700 4.0883 4.0883 4.3140 4.3140 4.4242 4.4242 4.4957 4.4957 4.5256 4.5256 4.5796 4.5796 4.6536 4.6536 6.3168 6.3168 6.3456 6.3456 6.4437 6.4437 7.9618 7.9618 8.0526 8.0526 8.5827 8.5827 8.6512 8.6512 8.6550 8.6550 10.7417 10.7417 10.7466 10.7466 k = 0.5000 0.5000 0.4000 ( 5916 PWs) bands (ev): -58.1133 -58.1133 -32.5608 -32.5608 -31.7380 -31.7380 -31.7379 -31.7379 -6.7257 -6.7257 -6.5805 -6.5805 -6.5752 -6.5752 -6.5327 -6.5327 0.8240 0.8240 0.8331 0.8331 0.8372 0.8372 1.5852 1.5852 2.1925 2.1925 2.2334 2.2334 2.2381 2.2381 2.2680 2.2680 2.3225 2.3225 2.8029 2.8029 2.8105 2.8105 2.8365 2.8365 3.7613 3.7613 3.9095 3.9095 3.9612 3.9612 3.9886 3.9886 4.0711 4.0711 4.0870 4.0870 4.3297 4.3297 4.4181 4.4181 4.4879 4.4879 4.5238 4.5238 4.5717 4.5717 4.6332 4.6332 6.3493 6.3493 6.3753 6.3753 6.4506 6.4506 7.9820 7.9820 8.0510 8.0510 8.6031 8.6031 8.6539 8.6539 8.6575 8.6575 10.7099 10.7099 10.7149 10.7149 k = 0.5000 0.5000 0.4167 ( 5904 PWs) bands (ev): -58.1133 -58.1133 -32.5608 -32.5608 -31.7380 -31.7380 -31.7380 -31.7380 -6.7142 -6.7142 -6.5800 -6.5800 -6.5748 -6.5748 -6.5431 -6.5431 0.8173 0.8173 0.8268 0.8268 0.8299 0.8299 1.5772 1.5772 2.2001 2.2001 2.2359 2.2359 2.2437 2.2437 2.2714 2.2714 2.3161 2.3161 2.8064 2.8064 2.8121 2.8121 2.8386 2.8386 3.7590 3.7590 3.9169 3.9169 3.9629 3.9629 3.9822 3.9822 4.0723 4.0723 4.0858 4.0858 4.3454 4.3454 4.4128 4.4128 4.4817 4.4817 4.5227 4.5227 4.5643 4.5643 4.6128 4.6128 6.3776 6.3776 6.4002 6.4002 6.4578 6.4578 8.0003 8.0003 8.0497 8.0497 8.6206 8.6206 8.6559 8.6559 8.6594 8.6594 10.6825 10.6825 10.6874 10.6874 k = 0.5000 0.5000 0.4333 ( 5904 PWs) bands (ev): -58.1133 -58.1133 -32.5608 -32.5608 -31.7380 -31.7380 -31.7380 -31.7380 -6.7035 -6.7035 -6.5797 -6.5797 -6.5745 -6.5745 -6.5528 -6.5528 0.8118 0.8118 0.8216 0.8216 0.8238 0.8238 1.5706 1.5706 2.2075 2.2075 2.2374 2.2374 2.2489 2.2489 2.2734 2.2734 2.3105 2.3105 2.8093 2.8093 2.8133 2.8133 2.8404 2.8404 3.7569 3.7569 3.9242 3.9242 3.9642 3.9642 3.9760 3.9760 4.0737 4.0737 4.0845 4.0845 4.3605 4.3605 4.4084 4.4084 4.4777 4.4777 4.5221 4.5221 4.5574 4.5574 4.5928 4.5928 6.4013 6.4013 6.4192 6.4192 6.4656 6.4656 8.0161 8.0161 8.0485 8.0485 8.6349 8.6349 8.6574 8.6574 8.6608 8.6608 10.6598 10.6598 10.6642 10.6642 k = 0.5000 0.5000 0.4500 ( 5896 PWs) bands (ev): -58.1132 -58.1132 -32.5609 -32.5609 -31.7380 -31.7380 -31.7380 -31.7380 -6.6939 -6.6939 -6.5796 -6.5796 -6.5742 -6.5742 -6.5615 -6.5615 0.8074 0.8074 0.8175 0.8175 0.8191 0.8191 1.5654 1.5654 2.2145 2.2145 2.2379 2.2379 2.2536 2.2536 2.2737 2.2737 2.3063 2.3063 2.8115 2.8115 2.8143 2.8143 2.8418 2.8418 3.7552 3.7552 3.9313 3.9313 3.9651 3.9651 3.9701 3.9701 4.0751 4.0751 4.0832 4.0832 4.3740 4.3740 4.4049 4.4049 4.4763 4.4763 4.5220 4.5220 4.5513 4.5513 4.5739 4.5739 6.4202 6.4202 6.4321 6.4321 6.4740 6.4740 8.0290 8.0290 8.0476 8.0476 8.6460 8.6460 8.6585 8.6585 8.6618 8.6618 10.6420 10.6420 10.6453 10.6453 k = 0.5000 0.5000 0.4667 ( 5904 PWs) bands (ev): -58.1133 -58.1133 -32.5609 -32.5609 -31.7380 -31.7380 -31.7380 -31.7380 -6.6861 -6.6861 -6.5798 -6.5798 -6.5740 -6.5740 -6.5684 -6.5684 0.8042 0.8042 0.8146 0.8146 0.8156 0.8156 1.5617 1.5617 2.2210 2.2210 2.2371 2.2371 2.2580 2.2580 2.2723 2.2723 2.3035 2.3035 2.8131 2.8131 2.8148 2.8148 2.8428 2.8428 3.7539 3.7539 3.9381 3.9381 3.9631 3.9631 3.9667 3.9667 4.0765 4.0765 4.0819 4.0819 4.3850 4.3850 4.4021 4.4021 4.4779 4.4779 4.5215 4.5215 4.5462 4.5462 4.5577 4.5577 6.4339 6.4339 6.4399 6.4399 6.4817 6.4817 8.0386 8.0386 8.0470 8.0470 8.6538 8.6538 8.6591 8.6591 8.6626 8.6626 10.6291 10.6291 10.6310 10.6310 k = 0.5000 0.5000 0.4833 ( 5904 PWs) bands (ev): -58.1133 -58.1133 -32.5609 -32.5609 -31.7380 -31.7380 -31.7380 -31.7380 -6.6808 -6.6808 -6.5805 -6.5805 -6.5739 -6.5739 -6.5726 -6.5726 0.8022 0.8022 0.8129 0.8129 0.8134 0.8134 1.5594 1.5594 2.2268 2.2268 2.2350 2.2350 2.2622 2.2622 2.2696 2.2696 2.3021 2.3021 2.8143 2.8143 2.8151 2.8151 2.8434 2.8434 3.7531 3.7531 3.9447 3.9447 3.9573 3.9573 3.9667 3.9667 4.0778 4.0778 4.0806 4.0806 4.3926 4.3926 4.3998 4.3998 4.4817 4.4817 4.5198 4.5198 4.5426 4.5426 4.5468 4.5468 6.4423 6.4423 6.4438 6.4438 6.4871 6.4871 8.0444 8.0444 8.0466 8.0466 8.6581 8.6581 8.6595 8.6595 8.6634 8.6634 10.6214 10.6214 10.6221 10.6221 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.1133 -58.1133 -32.5609 -32.5609 -31.7380 -31.7380 -31.7380 -31.7380 -6.6789 -6.6789 -6.5810 -6.5810 -6.5738 -6.5738 -6.5738 -6.5738 0.8016 0.8016 0.8125 0.8125 0.8125 0.8125 1.5587 1.5587 2.2315 2.2315 2.2315 2.2315 2.2661 2.2661 2.2661 2.2661 2.3017 2.3017 2.8149 2.8149 2.8149 2.8149 2.8436 2.8436 3.7529 3.7529 3.9511 3.9511 3.9511 3.9511 3.9668 3.9668 4.0792 4.0792 4.0792 4.0792 4.3971 4.3971 4.3971 4.3971 4.4841 4.4841 4.5181 4.5181 4.5422 4.5422 4.5422 4.5422 6.4451 6.4451 6.4451 6.4451 6.4890 6.4890 8.0464 8.0464 8.0464 8.0464 8.6595 8.6595 8.6595 8.6595 8.6639 8.6639 10.6189 10.6189 10.6189 10.6189 Writing output data file VCu3S4.save init_run : 5.32s CPU 11.86s WALL ( 1 calls) electrons : 1720.42s CPU 1736.11s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.76s CPU 1.56s WALL ( 1 calls) Called by electrons: c_bands : 1720.38s CPU 1735.89s WALL ( 1 calls) v_of_rho : 0.20s CPU 0.76s WALL ( 1 calls) v_h : 0.02s CPU 0.03s WALL ( 1 calls) v_xc : 0.18s CPU 0.61s WALL ( 1 calls) newd : 1.63s CPU 1.67s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.21s WALL ( 231 calls) cegterg : 1658.70s CPU 1671.73s WALL ( 843 calls) Called by sum_band: Called by *egterg: h_psi : 532.62s CPU 543.82s WALL ( 16495 calls) s_psi : 103.50s CPU 104.23s WALL ( 16495 calls) g_psi : 1.30s CPU 1.29s WALL ( 15421 calls) cdiaghg : 783.57s CPU 781.07s WALL ( 15652 calls) cegterg:over : 133.65s CPU 128.87s WALL ( 15421 calls) cegterg:upda : 39.21s CPU 42.78s WALL ( 15421 calls) cegterg:last : 27.37s CPU 27.81s WALL ( 1767 calls) Called by h_psi: h_psi:vloc : 341.61s CPU 349.93s WALL ( 16495 calls) h_psi:vnl : 190.34s CPU 192.49s WALL ( 16495 calls) add_vuspsi : 78.10s CPU 83.25s WALL ( 16495 calls) General routines calbec : 112.13s CPU 109.06s WALL ( 16495 calls) fft : 0.66s CPU 1.51s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 297.72s CPU 301.34s WALL ( 1730424 calls) interpolate : 0.30s CPU 0.30s WALL ( 4 calls) davcio : 0.02s CPU 1.58s WALL ( 462 calls) Parallel routines fft_scatter : 199.89s CPU 197.87s WALL ( 1730447 calls) PWSCF : 29m52.09s CPU 31m48.61s WALL This run was terminated on: 6:18:53 31Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=