Program PWSCF v.5.1.1 starts on 1Nov2015 at 18:12: 8 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./VCu3S4.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 111 32 9 6099 980 153 Max 112 33 10 6104 997 158 Sum 5345 1581 465 292835 47401 7441 bravais-lattice index = 14 lattice parameter (alat) = 10.1856 a.u. unit-cell volume = 1056.7270 (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)= 10.185623 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: 292835 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 47401 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 240, 84) NL pseudopotentials 0.50 Mb ( 120, 272) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.05 Mb ( 6101) G-vector shells 0.01 Mb ( 1122) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.23 Mb ( 240, 336) Each subspace H/S matrix 1.72 Mb ( 336, 336) Each matrix 0.70 Mb ( 272, 2, 84) The potential is recalculated from file : ./VCu3S4.save/charge-density.dat Starting wfc are 106 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 51.4 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 62.0 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 72.7 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 83.2 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 93.5 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 103.9 secs Computing kpt #: 7 total cpu time spent up to now is 112.3 secs Computing kpt #: 8 total cpu time spent up to now is 120.6 secs Computing kpt #: 9 total cpu time spent up to now is 128.5 secs Computing kpt #: 10 total cpu time spent up to now is 136.7 secs Computing kpt #: 11 total cpu time spent up to now is 143.3 secs Computing kpt #: 12 total cpu time spent up to now is 149.6 secs Computing kpt #: 13 total cpu time spent up to now is 156.1 secs Computing kpt #: 14 total cpu time spent up to now is 162.3 secs Computing kpt #: 15 total cpu time spent up to now is 168.6 secs Computing kpt #: 16 total cpu time spent up to now is 176.1 secs Computing kpt #: 17 total cpu time spent up to now is 182.1 secs Computing kpt #: 18 total cpu time spent up to now is 188.0 secs Computing kpt #: 19 total cpu time spent up to now is 195.6 secs Computing kpt #: 20 total cpu time spent up to now is 201.6 secs Computing kpt #: 21 total cpu time spent up to now is 207.7 secs Computing kpt #: 22 total cpu time spent up to now is 213.7 secs Computing kpt #: 23 total cpu time spent up to now is 219.7 secs Computing kpt #: 24 total cpu time spent up to now is 225.5 secs Computing kpt #: 25 total cpu time spent up to now is 231.5 secs Computing kpt #: 26 total cpu time spent up to now is 237.4 secs Computing kpt #: 27 total cpu time spent up to now is 243.3 secs Computing kpt #: 28 total cpu time spent up to now is 249.2 secs Computing kpt #: 29 total cpu time spent up to now is 256.4 secs Computing kpt #: 30 total cpu time spent up to now is 262.0 secs Computing kpt #: 31 total cpu time spent up to now is 267.8 secs Computing kpt #: 32 total cpu time spent up to now is 274.8 secs Computing kpt #: 33 total cpu time spent up to now is 280.4 secs Computing kpt #: 34 total cpu time spent up to now is 287.4 secs Computing kpt #: 35 total cpu time spent up to now is 293.8 secs Computing kpt #: 36 total cpu time spent up to now is 299.9 secs Computing kpt #: 37 total cpu time spent up to now is 306.2 secs Computing kpt #: 38 total cpu time spent up to now is 312.6 secs Computing kpt #: 39 total cpu time spent up to now is 319.0 secs Computing kpt #: 40 total cpu time spent up to now is 325.6 secs Computing kpt #: 41 total cpu time spent up to now is 332.2 secs Computing kpt #: 42 total cpu time spent up to now is 339.0 secs Computing kpt #: 43 total cpu time spent up to now is 346.1 secs Computing kpt #: 44 total cpu time spent up to now is 353.8 secs Computing kpt #: 45 total cpu time spent up to now is 361.6 secs Computing kpt #: 46 total cpu time spent up to now is 371.2 secs Computing kpt #: 47 total cpu time spent up to now is 378.6 secs Computing kpt #: 48 total cpu time spent up to now is 385.5 secs Computing kpt #: 49 total cpu time spent up to now is 392.5 secs Computing kpt #: 50 total cpu time spent up to now is 398.9 secs Computing kpt #: 51 total cpu time spent up to now is 405.1 secs Computing kpt #: 52 total cpu time spent up to now is 411.3 secs Computing kpt #: 53 total cpu time spent up to now is 417.5 secs Computing kpt #: 54 total cpu time spent up to now is 423.6 secs Computing kpt #: 55 total cpu time spent up to now is 432.1 secs Computing kpt #: 56 total cpu time spent up to now is 438.3 secs Computing kpt #: 57 total cpu time spent up to now is 444.4 secs Computing kpt #: 58 total cpu time spent up to now is 450.4 secs Computing kpt #: 59 total cpu time spent up to now is 456.7 secs Computing kpt #: 60 total cpu time spent up to now is 464.4 secs Computing kpt #: 61 total cpu time spent up to now is 470.5 secs Computing kpt #: 62 total cpu time spent up to now is 477.9 secs Computing kpt #: 63 total cpu time spent up to now is 483.8 secs Computing kpt #: 64 total cpu time spent up to now is 490.0 secs Computing kpt #: 65 total cpu time spent up to now is 496.6 secs Computing kpt #: 66 total cpu time spent up to now is 502.7 secs Computing kpt #: 67 total cpu time spent up to now is 509.0 secs Computing kpt #: 68 total cpu time spent up to now is 515.2 secs Computing kpt #: 69 total cpu time spent up to now is 521.4 secs Computing kpt #: 70 total cpu time spent up to now is 527.6 secs Computing kpt #: 71 total cpu time spent up to now is 534.2 secs Computing kpt #: 72 total cpu time spent up to now is 544.3 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 555.7 secs Computing kpt #: 74 total cpu time spent up to now is 565.8 secs Computing kpt #: 75 total cpu time spent up to now is 573.9 secs Computing kpt #: 76 total cpu time spent up to now is 582.1 secs Computing kpt #: 77 total cpu time spent up to now is 591.0 secs Computing kpt #: 78 total cpu time spent up to now is 599.2 secs Computing kpt #: 79 total cpu time spent up to now is 606.8 secs Computing kpt #: 80 total cpu time spent up to now is 614.0 secs Computing kpt #: 81 total cpu time spent up to now is 621.2 secs Computing kpt #: 82 total cpu time spent up to now is 628.7 secs Computing kpt #: 83 total cpu time spent up to now is 636.2 secs Computing kpt #: 84 total cpu time spent up to now is 644.0 secs Computing kpt #: 85 total cpu time spent up to now is 652.3 secs Computing kpt #: 86 total cpu time spent up to now is 661.0 secs Computing kpt #: 87 total cpu time spent up to now is 669.8 secs Computing kpt #: 88 total cpu time spent up to now is 678.7 secs Computing kpt #: 89 total cpu time spent up to now is 688.9 secs Computing kpt #: 90 total cpu time spent up to now is 699.2 secs Computing kpt #: 91 total cpu time spent up to now is 709.6 secs Computing kpt #: 92 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 721.8 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 735.0 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 747.8 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 758.9 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 770.0 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 781.1 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 792.2 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 803.9 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 815.0 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 825.9 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 836.8 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 847.5 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 859.8 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 869.9 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 880.1 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 890.5 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 901.1 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 911.7 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 923.0 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 933.6 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 944.2 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 956.1 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 967.1 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 977.8 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 990.0 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1000.8 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1011.5 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1022.2 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1035.5 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1046.5 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1057.4 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1068.1 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1078.9 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1089.8 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1100.8 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1111.5 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1122.3 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1133.0 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1143.9 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1154.7 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1165.6 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1176.4 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1188.9 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1199.8 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1210.6 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1221.6 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1232.4 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1244.7 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1255.9 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1266.9 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1277.6 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1290.2 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1301.2 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1312.1 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1323.2 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1335.9 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1348.6 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1361.1 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1372.0 secs Computing kpt #: 151 total cpu time spent up to now is 1382.3 secs Computing kpt #: 152 total cpu time spent up to now is 1392.7 secs Computing kpt #: 153 total cpu time spent up to now is 1399.7 secs Computing kpt #: 154 total cpu time spent up to now is 1406.6 secs Computing kpt #: 155 total cpu time spent up to now is 1413.8 secs Computing kpt #: 156 total cpu time spent up to now is 1420.8 secs Computing kpt #: 157 total cpu time spent up to now is 1427.0 secs Computing kpt #: 158 total cpu time spent up to now is 1436.6 secs Computing kpt #: 159 total cpu time spent up to now is 1444.4 secs Computing kpt #: 160 total cpu time spent up to now is 1451.1 secs Computing kpt #: 161 total cpu time spent up to now is 1458.2 secs Computing kpt #: 162 total cpu time spent up to now is 1466.3 secs Computing kpt #: 163 total cpu time spent up to now is 1472.9 secs Computing kpt #: 164 total cpu time spent up to now is 1479.1 secs Computing kpt #: 165 total cpu time spent up to now is 1485.5 secs Computing kpt #: 166 total cpu time spent up to now is 1491.9 secs Computing kpt #: 167 total cpu time spent up to now is 1498.2 secs Computing kpt #: 168 total cpu time spent up to now is 1504.0 secs Computing kpt #: 169 total cpu time spent up to now is 1509.8 secs Computing kpt #: 170 total cpu time spent up to now is 1515.5 secs Computing kpt #: 171 total cpu time spent up to now is 1521.0 secs Computing kpt #: 172 total cpu time spent up to now is 1526.9 secs Computing kpt #: 173 total cpu time spent up to now is 1532.0 secs Computing kpt #: 174 total cpu time spent up to now is 1537.2 secs Computing kpt #: 175 total cpu time spent up to now is 1542.4 secs Computing kpt #: 176 total cpu time spent up to now is 1547.7 secs Computing kpt #: 177 total cpu time spent up to now is 1552.9 secs Computing kpt #: 178 total cpu time spent up to now is 1558.0 secs Computing kpt #: 179 total cpu time spent up to now is 1563.3 secs Computing kpt #: 180 total cpu time spent up to now is 1568.9 secs Computing kpt #: 181 total cpu time spent up to now is 1574.1 secs Computing kpt #: 182 total cpu time spent up to now is 1579.6 secs Computing kpt #: 183 total cpu time spent up to now is 1585.0 secs Computing kpt #: 184 total cpu time spent up to now is 1590.2 secs Computing kpt #: 185 total cpu time spent up to now is 1595.8 secs Computing kpt #: 186 total cpu time spent up to now is 1601.8 secs Computing kpt #: 187 total cpu time spent up to now is 1608.0 secs Computing kpt #: 188 total cpu time spent up to now is 1614.3 secs Computing kpt #: 189 total cpu time spent up to now is 1620.9 secs Computing kpt #: 190 total cpu time spent up to now is 1629.8 secs Computing kpt #: 191 total cpu time spent up to now is 1637.0 secs Computing kpt #: 192 total cpu time spent up to now is 1643.3 secs Computing kpt #: 193 total cpu time spent up to now is 1649.6 secs Computing kpt #: 194 total cpu time spent up to now is 1655.8 secs Computing kpt #: 195 total cpu time spent up to now is 1661.6 secs Computing kpt #: 196 total cpu time spent up to now is 1667.6 secs Computing kpt #: 197 total cpu time spent up to now is 1673.4 secs Computing kpt #: 198 total cpu time spent up to now is 1679.2 secs Computing kpt #: 199 total cpu time spent up to now is 1685.1 secs Computing kpt #: 200 total cpu time spent up to now is 1691.1 secs Computing kpt #: 201 total cpu time spent up to now is 1697.0 secs Computing kpt #: 202 total cpu time spent up to now is 1702.9 secs Computing kpt #: 203 total cpu time spent up to now is 1708.9 secs Computing kpt #: 204 total cpu time spent up to now is 1716.1 secs Computing kpt #: 205 total cpu time spent up to now is 1722.2 secs Computing kpt #: 206 total cpu time spent up to now is 1730.3 secs Computing kpt #: 207 total cpu time spent up to now is 1736.5 secs Computing kpt #: 208 total cpu time spent up to now is 1742.5 secs Computing kpt #: 209 total cpu time spent up to now is 1748.8 secs Computing kpt #: 210 total cpu time spent up to now is 1755.1 secs Computing kpt #: 211 total cpu time spent up to now is 1761.1 secs Computing kpt #: 212 total cpu time spent up to now is 1767.5 secs Computing kpt #: 213 total cpu time spent up to now is 1773.7 secs Computing kpt #: 214 total cpu time spent up to now is 1779.9 secs Computing kpt #: 215 total cpu time spent up to now is 1786.2 secs Computing kpt #: 216 total cpu time spent up to now is 1793.2 secs Computing kpt #: 217 total cpu time spent up to now is 1800.9 secs Computing kpt #: 218 total cpu time spent up to now is 1807.2 secs Computing kpt #: 219 total cpu time spent up to now is 1813.6 secs Computing kpt #: 220 total cpu time spent up to now is 1820.4 secs Computing kpt #: 221 total cpu time spent up to now is 1826.8 secs Computing kpt #: 222 total cpu time spent up to now is 1833.4 secs Computing kpt #: 223 total cpu time spent up to now is 1840.0 secs Computing kpt #: 224 total cpu time spent up to now is 1846.7 secs Computing kpt #: 225 total cpu time spent up to now is 1856.1 secs Computing kpt #: 226 total cpu time spent up to now is 1862.8 secs Computing kpt #: 227 total cpu time spent up to now is 1870.5 secs Computing kpt #: 228 total cpu time spent up to now is 1878.1 secs Computing kpt #: 229 total cpu time spent up to now is 1886.0 secs Computing kpt #: 230 total cpu time spent up to now is 1892.3 secs Computing kpt #: 231 total cpu time spent up to now is 1898.6 secs ethr = 1.43E-11, avg # of iterations = 71.1 total cpu time spent up to now is 1898.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9532 -31.9532 -31.9532 -31.9532 -7.2696 -7.2696 -6.1184 -6.1184 -6.1154 -6.1154 -6.1154 -6.1154 0.7395 0.7395 0.7395 0.7395 1.2441 1.2441 2.2716 2.2716 2.2716 2.2716 2.3180 2.3180 2.8004 2.8004 2.8402 2.8402 2.8402 2.8402 3.3204 3.3204 3.3253 3.3253 3.3253 3.3253 3.4580 3.4580 3.4580 3.4580 4.0295 4.0295 4.1168 4.1168 4.1168 4.1168 4.2056 4.2056 4.2056 4.2056 4.2667 4.2667 4.6824 4.6824 4.8480 4.8480 4.8480 4.8480 4.8545 4.8545 5.9348 5.9348 5.9348 5.9348 6.0105 6.0105 7.3769 7.3769 7.3769 7.3769 7.7592 7.7592 7.7900 7.7900 7.7900 7.7900 8.9437 8.9437 11.1779 11.1779 k = 0.0000 0.0167-0.0000 ( 5991 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9532 -31.9532 -31.9532 -31.9532 -7.2690 -7.2690 -6.1187 -6.1187 -6.1159 -6.1159 -6.1154 -6.1154 0.7403 0.7403 0.7406 0.7406 1.2450 1.2450 2.2705 2.2705 2.2722 2.2722 2.3178 2.3178 2.7998 2.7998 2.8390 2.8390 2.8402 2.8402 3.3165 3.3165 3.3225 3.3225 3.3270 3.3270 3.4551 3.4551 3.4658 3.4658 4.0289 4.0289 4.1080 4.1080 4.1253 4.1253 4.1990 4.1990 4.2127 4.2127 4.2669 4.2669 4.6828 4.6828 4.8448 4.8448 4.8509 4.8509 4.8546 4.8546 5.9331 5.9331 5.9347 5.9347 6.0095 6.0095 7.3767 7.3767 7.3775 7.3775 7.7587 7.7587 7.7885 7.7885 7.7903 7.7903 8.9499 8.9499 11.1785 11.1795 k = 0.0000 0.0333-0.0000 ( 5983 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9532 -31.9532 -31.9532 -31.9532 -7.2670 -7.2670 -6.1205 -6.1205 -6.1167 -6.1167 -6.1153 -6.1153 0.7426 0.7426 0.7438 0.7438 1.2477 1.2477 2.2683 2.2683 2.2730 2.2730 2.3172 2.3172 2.7978 2.7978 2.8358 2.8358 2.8395 2.8395 3.3029 3.3029 3.3219 3.3219 3.3273 3.3273 3.4547 3.4547 3.4786 3.4786 4.0268 4.0268 4.0991 4.0991 4.1328 4.1328 4.1927 4.1927 4.2201 4.2201 4.2673 4.2673 4.6834 4.6834 4.8413 4.8413 4.8525 4.8525 4.8553 4.8553 5.9284 5.9284 5.9336 5.9336 6.0066 6.0066 7.3762 7.3762 7.3792 7.3792 7.7566 7.7566 7.7847 7.7847 7.7912 7.7912 8.9683 8.9683 11.1795 11.1797 k = 0.0000 0.0500-0.0000 ( 5975 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9532 -31.9532 -31.9532 -31.9532 -7.2638 -7.2638 -6.1244 -6.1244 -6.1170 -6.1170 -6.1153 -6.1153 0.7465 0.7465 0.7492 0.7492 1.2520 1.2520 2.2646 2.2646 2.2742 2.2742 2.3164 2.3164 2.7941 2.7941 2.8310 2.8310 2.8384 2.8384 3.2831 3.2831 3.3215 3.3215 3.3271 3.3271 3.4558 3.4558 3.4952 3.4952 4.0232 4.0232 4.0909 4.0909 4.1388 4.1388 4.1867 4.1867 4.2277 4.2277 4.2682 4.2682 4.6845 4.6845 4.8373 4.8373 4.8521 4.8521 4.8576 4.8576 5.9206 5.9206 5.9318 5.9318 6.0021 6.0021 7.3753 7.3753 7.3821 7.3821 7.7510 7.7510 7.7810 7.7810 7.7927 7.7927 8.9982 8.9982 11.1805 11.1805 k = 0.0000 0.0667-0.0000 ( 5959 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9532 -31.9532 -31.9532 -31.9532 -7.2593 -7.2593 -6.1303 -6.1303 -6.1170 -6.1170 -6.1152 -6.1152 0.7519 0.7519 0.7566 0.7566 1.2581 1.2581 2.2590 2.2590 2.2758 2.2758 2.3160 2.3160 2.7882 2.7882 2.8251 2.8251 2.8368 2.8368 3.2594 3.2594 3.3211 3.3211 3.3269 3.3269 3.4577 3.4577 3.5140 3.5140 4.0179 4.0179 4.0836 4.0836 4.1427 4.1427 4.1815 4.1815 4.2349 4.2349 4.2702 4.2702 4.6860 4.6860 4.8331 4.8331 4.8510 4.8510 4.8604 4.8604 5.9094 5.9094 5.9292 5.9292 5.9962 5.9962 7.3738 7.3738 7.3859 7.3859 7.7408 7.7408 7.7795 7.7795 7.7947 7.7947 9.0387 9.0387 11.1815 11.1815 k = 0.0000 0.0833-0.0000 ( 5935 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9532 -31.9532 -31.9532 -31.9532 -7.2536 -7.2536 -6.1379 -6.1379 -6.1169 -6.1169 -6.1151 -6.1151 0.7588 0.7588 0.7660 0.7660 1.2660 1.2660 2.2512 2.2512 2.2778 2.2778 2.3160 2.3160 2.7793 2.7793 2.8190 2.8190 2.8349 2.8349 3.2328 3.2328 3.3205 3.3205 3.3265 3.3265 3.4602 3.4602 3.5341 3.5341 4.0109 4.0109 4.0777 4.0777 4.1435 4.1435 4.1778 4.1778 4.2408 4.2408 4.2744 4.2744 4.6878 4.6878 4.8285 4.8285 4.8495 4.8495 4.8633 4.8633 5.8948 5.8948 5.9259 5.9259 5.9895 5.9895 7.3716 7.3716 7.3908 7.3908 7.7267 7.7267 7.7801 7.7801 7.7971 7.7971 9.0887 9.0887 11.1830 11.1830 k = 0.0000 0.1000-0.0000 ( 5927 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9533 -31.9533 -31.9532 -31.9532 -7.2466 -7.2466 -6.1472 -6.1472 -6.1168 -6.1168 -6.1149 -6.1149 0.7672 0.7672 0.7775 0.7775 1.2755 1.2755 2.2410 2.2410 2.2802 2.2802 2.3167 2.3167 2.7670 2.7670 2.8132 2.8132 2.8324 2.8324 3.2039 3.2039 3.3199 3.3199 3.3260 3.3260 3.4631 3.4631 3.5548 3.5548 4.0024 4.0024 4.0730 4.0730 4.1404 4.1404 4.1765 4.1765 4.2446 4.2446 4.2813 4.2813 4.6897 4.6897 4.8237 4.8237 4.8477 4.8477 4.8662 4.8662 5.8768 5.8768 5.9220 5.9220 5.9821 5.9821 7.3686 7.3686 7.3966 7.3966 7.7107 7.7107 7.7820 7.7820 7.7999 7.7999 9.1470 9.1470 11.1852 11.1852 k = 0.0000 0.1167-0.0000 ( 5915 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9533 -31.9533 -31.9532 -31.9532 -7.2384 -7.2384 -6.1581 -6.1581 -6.1166 -6.1166 -6.1148 -6.1148 0.7771 0.7771 0.7911 0.7911 1.2868 1.2868 2.2285 2.2285 2.2829 2.2829 2.3180 2.3180 2.7512 2.7512 2.8079 2.8079 2.8297 2.8297 3.1730 3.1730 3.3193 3.3193 3.3254 3.3254 3.4665 3.4665 3.5759 3.5759 3.9928 3.9928 4.0692 4.0692 4.1339 4.1339 4.1770 4.1770 4.2466 4.2466 4.2905 4.2905 4.6919 4.6919 4.8187 4.8187 4.8458 4.8458 4.8693 4.8693 5.8557 5.8557 5.9175 5.9175 5.9742 5.9742 7.3645 7.3645 7.4032 7.4032 7.6939 7.6939 7.7847 7.7847 7.8028 7.8028 9.2127 9.2127 11.1883 11.1883 k = 0.0000 0.1333-0.0000 ( 5923 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9533 -31.9533 -31.9532 -31.9532 -7.2289 -7.2289 -6.1705 -6.1705 -6.1164 -6.1164 -6.1146 -6.1146 0.7883 0.7883 0.8065 0.8065 1.2998 1.2998 2.2137 2.2137 2.2861 2.2861 2.3200 2.3200 2.7323 2.7323 2.8029 2.8029 2.8265 2.8265 3.1404 3.1404 3.3185 3.3185 3.3248 3.3248 3.4702 3.4702 3.5971 3.5971 3.9826 3.9826 4.0662 4.0662 4.1252 4.1252 4.1785 4.1785 4.2473 4.2473 4.3013 4.3013 4.6941 4.6941 4.8137 4.8137 4.8438 4.8438 4.8724 4.8724 5.8316 5.8316 5.9126 5.9126 5.9661 5.9661 7.3593 7.3593 7.4104 7.4104 7.6774 7.6774 7.7878 7.7878 7.8058 7.8058 9.2845 9.2845 11.1925 11.1925 k = 0.0000 0.1500-0.0000 ( 5919 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9533 -31.9533 -31.9532 -31.9532 -7.2183 -7.2183 -6.1844 -6.1844 -6.1162 -6.1162 -6.1144 -6.1144 0.8009 0.8009 0.8239 0.8239 1.3144 1.3144 2.1968 2.1968 2.2895 2.2895 2.3226 2.3226 2.7108 2.7108 2.7981 2.7981 2.8230 2.8230 3.1062 3.1062 3.3177 3.3177 3.3241 3.3241 3.4740 3.4740 3.6185 3.6185 3.9721 3.9721 4.0636 4.0636 4.1152 4.1152 4.1801 4.1801 4.2473 4.2473 4.3128 4.3128 4.6964 4.6964 4.8086 4.8086 4.8419 4.8419 4.8755 4.8755 5.8050 5.8050 5.9071 5.9071 5.9577 5.9577 7.3529 7.3529 7.4182 7.4182 7.6619 7.6619 7.7910 7.7910 7.8088 7.8088 9.3617 9.3617 11.1979 11.1979 k = 0.0000 0.1667-0.0000 ( 5919 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9533 -31.9533 -31.9532 -31.9532 -7.2066 -7.2066 -6.1997 -6.1997 -6.1159 -6.1159 -6.1142 -6.1142 0.8149 0.8149 0.8431 0.8431 1.3308 1.3308 2.1778 2.1778 2.2934 2.2934 2.3256 2.3256 2.6868 2.6868 2.7933 2.7933 2.8193 2.8193 3.0703 3.0703 3.3168 3.3168 3.3233 3.3233 3.4781 3.4781 3.6398 3.6398 3.9616 3.9616 4.0613 4.0613 4.1043 4.1043 4.1817 4.1817 4.2470 4.2470 4.3246 4.3246 4.6988 4.6988 4.8037 4.8037 4.8402 4.8402 4.8787 4.8787 5.7763 5.7763 5.9013 5.9013 5.9491 5.9491 7.3453 7.3453 7.4265 7.4265 7.6478 7.6478 7.7943 7.7943 7.8117 7.8117 9.4434 9.4434 11.2046 11.2046 k = 0.0000 0.1833-0.0000 ( 5939 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9534 -31.9534 -31.9532 -31.9532 -7.1937 -7.1937 -6.2163 -6.2163 -6.1157 -6.1157 -6.1140 -6.1140 0.8300 0.8300 0.8641 0.8641 1.3488 1.3488 2.1569 2.1569 2.2974 2.2974 2.3290 2.3290 2.6609 2.6609 2.7883 2.7883 2.8152 2.8152 3.0329 3.0329 3.3159 3.3159 3.3224 3.3224 3.4823 3.4823 3.6611 3.6611 3.9513 3.9513 4.0589 4.0589 4.0928 4.0928 4.1827 4.1827 4.2464 4.2464 4.3363 4.3363 4.7012 4.7012 4.7990 4.7990 4.8389 4.8389 4.8819 4.8819 5.7458 5.7458 5.8952 5.8952 5.9404 5.9404 7.3365 7.3365 7.4351 7.4351 7.6353 7.6353 7.7974 7.7974 7.8144 7.8144 9.5288 9.5288 11.2126 11.2126 k = 0.0000 0.2000-0.0000 ( 5927 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9534 -31.9534 -31.9532 -31.9532 -7.1797 -7.1797 -6.2342 -6.2342 -6.1154 -6.1154 -6.1137 -6.1137 0.8463 0.8463 0.8868 0.8868 1.3685 1.3685 2.1341 2.1341 2.3018 2.3018 2.3329 2.3329 2.6331 2.6331 2.7833 2.7833 2.8109 2.8109 2.9941 2.9941 3.3150 3.3150 3.3216 3.3216 3.4867 3.4867 3.6823 3.6823 3.9414 3.9414 4.0567 4.0567 4.0812 4.0812 4.1835 4.1835 4.2457 4.2457 4.3477 4.3477 4.7038 4.7038 4.7947 4.7947 4.8382 4.8382 4.8851 4.8851 5.7139 5.7139 5.8888 5.8888 5.9317 5.9317 7.3267 7.3267 7.4439 7.4439 7.6245 7.6245 7.8004 7.8004 7.8168 7.8168 9.6173 9.6173 11.2219 11.2219 k = 0.0000 0.2167-0.0000 ( 5935 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9534 -31.9534 -31.9532 -31.9532 -7.1647 -7.1647 -6.2533 -6.2533 -6.1151 -6.1151 -6.1135 -6.1135 0.8637 0.8637 0.9111 0.9111 1.3899 1.3899 2.1097 2.1097 2.3064 2.3064 2.3370 2.3370 2.6038 2.6038 2.7781 2.7781 2.8064 2.8064 2.9540 2.9540 3.3141 3.3141 3.3207 3.3207 3.4910 3.4910 3.7032 3.7032 3.9320 3.9320 4.0543 4.0543 4.0696 4.0696 4.1837 4.1837 4.2449 4.2449 4.3584 4.3584 4.7065 4.7065 4.7908 4.7908 4.8381 4.8381 4.8883 4.8883 5.6810 5.6810 5.8822 5.8822 5.9230 5.9230 7.3161 7.3161 7.4528 7.4528 7.6154 7.6154 7.8031 7.8031 7.8189 7.8189 9.7082 9.7082 11.2323 11.2323 k = 0.0000 0.2333-0.0000 ( 5930 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9534 -31.9534 -31.9532 -31.9532 -7.1487 -7.1487 -6.2735 -6.2735 -6.1148 -6.1148 -6.1132 -6.1132 0.8820 0.8820 0.9369 0.9369 1.4128 1.4128 2.0837 2.0837 2.3112 2.3112 2.3413 2.3413 2.5734 2.5734 2.7728 2.7728 2.8018 2.8018 2.9128 2.9128 3.3132 3.3132 3.3198 3.3198 3.4953 3.4953 3.7237 3.7237 3.9233 3.9233 4.0517 4.0517 4.0581 4.0581 4.1834 4.1834 4.2440 4.2440 4.3682 4.3682 4.7093 4.7093 4.7873 4.7873 4.8389 4.8389 4.8914 4.8914 5.6474 5.6474 5.8755 5.8755 5.9143 5.9143 7.3050 7.3050 7.4616 7.4616 7.6078 7.6078 7.8054 7.8054 7.8205 7.8205 9.8009 9.8009 11.2438 11.2438 k = 0.0000 0.2500-0.0000 ( 5930 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9535 -31.9535 -31.9532 -31.9532 -7.1317 -7.1317 -6.2946 -6.2946 -6.1145 -6.1145 -6.1130 -6.1130 0.9012 0.9012 0.9642 0.9642 1.4372 1.4372 2.0562 2.0562 2.3161 2.3161 2.3458 2.3458 2.5419 2.5419 2.7673 2.7673 2.7970 2.7970 2.8706 2.8706 3.3122 3.3122 3.3190 3.3190 3.4995 3.4995 3.7438 3.7438 3.9155 3.9155 4.0462 4.0462 4.0498 4.0498 4.1826 4.1826 4.2430 4.2430 4.3771 4.3771 4.7123 4.7123 4.7844 4.7844 4.8406 4.8406 4.8945 4.8945 5.6134 5.6134 5.8688 5.8688 5.9059 5.9059 7.2937 7.2937 7.4703 7.4703 7.6016 7.6016 7.8074 7.8074 7.8217 7.8217 9.8947 9.8947 11.2562 11.2562 k = 0.0000 0.2667-0.0000 ( 5922 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9535 -31.9535 -31.9532 -31.9532 -7.1139 -7.1139 -6.3166 -6.3166 -6.1142 -6.1142 -6.1128 -6.1128 0.9210 0.9210 0.9929 0.9929 1.4631 1.4631 2.0274 2.0274 2.3211 2.3211 2.3505 2.3505 2.5097 2.5097 2.7613 2.7613 2.7919 2.7919 2.8283 2.8283 3.3114 3.3114 3.3181 3.3181 3.5036 3.5036 3.7633 3.7633 3.9086 3.9086 4.0356 4.0356 4.0467 4.0467 4.1812 4.1812 4.2420 4.2420 4.3848 4.3848 4.7154 4.7154 4.7818 4.7818 4.8436 4.8436 4.8975 4.8975 5.5792 5.5792 5.8620 5.8620 5.8976 5.8976 7.2824 7.2824 7.4787 7.4787 7.5965 7.5965 7.8090 7.8090 7.8225 7.8225 9.9891 9.9891 11.2691 11.2691 k = 0.0000 0.2833-0.0000 ( 5926 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9535 -31.9535 -31.9532 -31.9532 -7.0953 -7.0953 -6.3393 -6.3393 -6.1139 -6.1139 -6.1125 -6.1125 0.9414 0.9414 1.0228 1.0228 1.4905 1.4905 1.9973 1.9973 2.3260 2.3260 2.3551 2.3551 2.4772 2.4772 2.7530 2.7530 2.7817 2.7817 2.7925 2.7925 3.3105 3.3105 3.3172 3.3172 3.5076 3.5076 3.7817 3.7817 3.9030 3.9030 4.0253 4.0253 4.0438 4.0438 4.1793 4.1793 4.2409 4.2409 4.3912 4.3912 4.7186 4.7186 4.7798 4.7798 4.8478 4.8478 4.9005 4.9005 5.5451 5.5451 5.8553 5.8553 5.8896 5.8896 7.2713 7.2713 7.4868 7.4868 7.5923 7.5923 7.8102 7.8102 7.8229 7.8229 10.0835 10.0835 11.2823 11.2823 k = 0.0000 0.3000-0.0000 ( 5930 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9535 -31.9535 -31.9532 -31.9532 -7.0759 -7.0759 -6.3626 -6.3626 -6.1136 -6.1136 -6.1123 -6.1123 0.9621 0.9621 1.0538 1.0538 1.5191 1.5191 1.9661 1.9661 2.3310 2.3310 2.3597 2.3597 2.4447 2.4447 2.7289 2.7289 2.7593 2.7593 2.7842 2.7842 3.3097 3.3097 3.3164 3.3164 3.5114 3.5114 3.7985 3.7985 3.8992 3.8992 4.0155 4.0155 4.0408 4.0408 4.1770 4.1770 4.2398 4.2398 4.3962 4.3962 4.7218 4.7218 4.7781 4.7781 4.8534 4.8534 4.9036 4.9036 5.5112 5.5112 5.8487 5.8487 5.8820 5.8820 7.2607 7.2607 7.4944 7.4944 7.5889 7.5889 7.8110 7.8110 7.8229 7.8229 10.1773 10.1773 11.2954 11.2954 k = 0.0000 0.3167-0.0000 ( 5918 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9536 -31.9536 -31.9532 -31.9532 -7.0560 -7.0560 -6.3865 -6.3865 -6.1134 -6.1134 -6.1120 -6.1120 0.9830 0.9830 1.0858 1.0858 1.5489 1.5489 1.9339 1.9339 2.3360 2.3360 2.3644 2.3644 2.4125 2.4125 2.6872 2.6872 2.7509 2.7509 2.7793 2.7793 3.3089 3.3089 3.3156 3.3156 3.5151 3.5151 3.8130 3.8130 3.8978 3.8978 4.0063 4.0063 4.0378 4.0378 4.1744 4.1744 4.2387 4.2387 4.3999 4.3999 4.7251 4.7251 4.7767 4.7767 4.8602 4.8602 4.9068 4.9068 5.4779 5.4779 5.8423 5.8423 5.8749 5.8749 7.2506 7.2506 7.5014 7.5014 7.5863 7.5863 7.8115 7.8115 7.8225 7.8225 10.2697 10.2697 11.3080 11.3080 k = 0.0000 0.3333-0.0000 ( 5918 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9536 -31.9536 -31.9532 -31.9532 -7.0356 -7.0356 -6.4105 -6.4105 -6.1131 -6.1131 -6.1118 -6.1118 1.0038 1.0038 1.1186 1.1186 1.5798 1.5798 1.9009 1.9009 2.3407 2.3407 2.3687 2.3687 2.3811 2.3811 2.6427 2.6427 2.7453 2.7453 2.7748 2.7748 3.3081 3.3081 3.3149 3.3149 3.5185 3.5185 3.8241 3.8241 3.8995 3.8995 3.9979 3.9979 4.0349 4.0349 4.1714 4.1714 4.2376 4.2376 4.4022 4.4022 4.7283 4.7283 4.7757 4.7757 4.8682 4.8682 4.9102 4.9102 5.4453 5.4453 5.8362 5.8362 5.8682 5.8682 7.2412 7.2412 7.5079 7.5079 7.5842 7.5842 7.8118 7.8118 7.8219 7.8219 10.3602 10.3602 11.3197 11.3197 k = 0.0000 0.3500-0.0000 ( 5918 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9536 -31.9536 -31.9532 -31.9532 -7.0149 -7.0149 -6.4347 -6.4347 -6.1128 -6.1128 -6.1116 -6.1116 1.0242 1.0242 1.1521 1.1521 1.6113 1.6113 1.8671 1.8671 2.3445 2.3445 2.3509 2.3509 2.3734 2.3734 2.5978 2.5978 2.7404 2.7404 2.7706 2.7706 3.3074 3.3074 3.3142 3.3142 3.5216 3.5216 3.8313 3.8313 3.9049 3.9049 3.9901 3.9901 4.0320 4.0320 4.1683 4.1683 4.2366 4.2366 4.4033 4.4033 4.7313 4.7313 4.7749 4.7749 4.8769 4.8769 4.9143 4.9143 5.4136 5.4136 5.8305 5.8305 5.8621 5.8621 7.2326 7.2326 7.5136 7.5136 7.5827 7.5827 7.8118 7.8118 7.8210 7.8210 10.4478 10.4478 11.3300 11.3300 k = 0.0000 0.3667-0.0000 ( 5930 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9536 -31.9536 -31.9532 -31.9532 -6.9940 -6.9940 -6.4588 -6.4588 -6.1126 -6.1126 -6.1114 -6.1114 1.0439 1.0439 1.1862 1.1862 1.6434 1.6434 1.8329 1.8329 2.3207 2.3207 2.3499 2.3499 2.3774 2.3774 2.5533 2.5533 2.7359 2.7359 2.7666 2.7666 3.3068 3.3068 3.3135 3.3135 3.5245 3.5245 3.8348 3.8348 3.9134 3.9134 3.9832 3.9832 4.0294 4.0294 4.1651 4.1651 4.2356 4.2356 4.4032 4.4032 4.7342 4.7342 4.7743 4.7743 4.8855 4.8855 4.9196 4.9196 5.3830 5.3830 5.8250 5.8250 5.8565 5.8565 7.2249 7.2249 7.5186 7.5186 7.5816 7.5816 7.8116 7.8116 7.8199 7.8199 10.5319 10.5319 11.3385 11.3385 k = 0.0000 0.3833-0.0000 ( 5946 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9536 -31.9536 -31.9532 -31.9532 -6.9733 -6.9733 -6.4824 -6.4824 -6.1124 -6.1124 -6.1113 -6.1113 1.0626 1.0626 1.2205 1.2205 1.6756 1.6756 1.7985 1.7985 2.2935 2.2935 2.3538 2.3538 2.3811 2.3811 2.5099 2.5099 2.7319 2.7319 2.7629 2.7629 3.3062 3.3062 3.3129 3.3129 3.5271 3.5271 3.8359 3.8359 3.9237 3.9237 3.9770 3.9770 4.0270 4.0270 4.1619 4.1619 4.2347 4.2347 4.4022 4.4022 4.7369 4.7369 4.7738 4.7738 4.8929 4.8929 4.9269 4.9269 5.3537 5.3537 5.8200 5.8200 5.8515 5.8515 7.2180 7.2180 7.5229 7.5229 7.5810 7.5810 7.8112 7.8112 7.8187 7.8187 10.6115 10.6115 11.3448 11.3448 k = 0.0000 0.4000-0.0000 ( 5942 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9537 -31.9537 -31.9532 -31.9532 -6.9530 -6.9530 -6.5053 -6.5053 -6.1122 -6.1122 -6.1111 -6.1111 1.0799 1.0799 1.2549 1.2549 1.7073 1.7073 1.7641 1.7641 2.2687 2.2687 2.3573 2.3573 2.3844 2.3844 2.4681 2.4681 2.7283 2.7283 2.7596 2.7596 3.3057 3.3057 3.3124 3.3124 3.5294 3.5294 3.8356 3.8356 3.9342 3.9342 3.9719 3.9719 4.0251 4.0251 4.1588 4.1588 4.2339 4.2339 4.4006 4.4006 4.7393 4.7393 4.7736 4.7736 4.8986 4.8986 4.9365 4.9365 5.3262 5.3262 5.8156 5.8156 5.8472 5.8472 7.2120 7.2120 7.5264 7.5264 7.5807 7.5807 7.8108 7.8108 7.8175 7.8175 10.6856 10.6856 11.3485 11.3485 k = 0.0000 0.4167-0.0000 ( 5934 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9537 -31.9537 -31.9532 -31.9532 -6.9337 -6.9337 -6.5269 -6.5269 -6.1120 -6.1120 -6.1110 -6.1110 1.0955 1.0955 1.2887 1.2887 1.7285 1.7285 1.7395 1.7395 2.2466 2.2466 2.3603 2.3603 2.3874 2.3874 2.4291 2.4291 2.7252 2.7252 2.7568 2.7568 3.3052 3.3052 3.3120 3.3120 3.5314 3.5314 3.8346 3.8346 3.9437 3.9437 3.9680 3.9680 4.0237 4.0237 4.1561 4.1561 4.2333 4.2333 4.3985 4.3985 4.7414 4.7414 4.7734 4.7734 4.9025 4.9025 4.9479 4.9479 5.3006 5.3006 5.8118 5.8118 5.8434 5.8434 7.2069 7.2069 7.5293 7.5293 7.5806 7.5806 7.8105 7.8105 7.8164 7.8164 10.7530 10.7530 11.3497 11.3497 k = 0.0000 0.4333-0.0000 ( 5934 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9537 -31.9537 -31.9532 -31.9532 -6.9159 -6.9159 -6.5466 -6.5466 -6.1119 -6.1119 -6.1109 -6.1109 1.1089 1.1089 1.3215 1.3215 1.6968 1.6968 1.7668 1.7668 2.2278 2.2278 2.3626 2.3626 2.3892 2.3892 2.3946 2.3946 2.7226 2.7226 2.7544 2.7544 3.3048 3.3048 3.3116 3.3116 3.5330 3.5330 3.8335 3.8335 3.9510 3.9510 3.9657 3.9657 4.0228 4.0228 4.1535 4.1535 4.2327 4.2327 4.3963 4.3963 4.7432 4.7432 4.7733 4.7733 4.9051 4.9051 4.9599 4.9599 5.2777 5.2777 5.8085 5.8085 5.8404 5.8404 7.2028 7.2028 7.5314 7.5314 7.5808 7.5808 7.8101 7.8101 7.8153 7.8153 10.8123 10.8123 11.3484 11.3484 k = 0.0000 0.4500-0.0000 ( 5926 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9537 -31.9537 -31.9532 -31.9532 -6.9003 -6.9003 -6.5636 -6.5636 -6.1117 -6.1117 -6.1108 -6.1108 1.1199 1.1199 1.3521 1.3521 1.6663 1.6663 1.7917 1.7917 2.2127 2.2127 2.3584 2.3584 2.3693 2.3693 2.3921 2.3921 2.7206 2.7206 2.7525 2.7525 3.3046 3.3046 3.3113 3.3113 3.5344 3.5344 3.8324 3.8324 3.9544 3.9544 3.9665 3.9665 4.0224 4.0224 4.1515 4.1515 4.2324 4.2324 4.3942 4.3942 4.7447 4.7447 4.7732 4.7732 4.9069 4.9069 4.9714 4.9714 5.2581 5.2581 5.8060 5.8060 5.8380 5.8380 7.1996 7.1996 7.5330 7.5330 7.5810 7.5810 7.8098 7.8098 7.8143 7.8143 10.8617 10.8617 11.3454 11.3454 k = 0.0000 0.4667-0.0000 ( 5926 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9537 -31.9537 -31.9532 -31.9532 -6.8881 -6.8881 -6.5769 -6.5769 -6.1117 -6.1117 -6.1107 -6.1107 1.1279 1.1279 1.3785 1.3785 1.6398 1.6398 1.8115 1.8115 2.2016 2.2016 2.3372 2.3372 2.3681 2.3681 2.3935 2.3935 2.7191 2.7191 2.7511 2.7511 3.3043 3.3043 3.3111 3.3111 3.5353 3.5353 3.8316 3.8316 3.9545 3.9545 3.9693 3.9693 4.0224 4.0224 4.1499 4.1499 4.2321 4.2321 4.3925 4.3925 4.7458 4.7458 4.7731 4.7731 4.9080 4.9080 4.9811 4.9811 5.2429 5.2429 5.8041 5.8041 5.8363 5.8363 7.1973 7.1973 7.5340 7.5340 7.5813 7.5813 7.8096 7.8096 7.8136 7.8136 10.8994 10.8994 11.3415 11.3415 k = 0.0000 0.4833-0.0000 ( 5926 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9537 -31.9537 -31.9532 -31.9532 -6.8801 -6.8801 -6.5855 -6.5855 -6.1116 -6.1116 -6.1107 -6.1107 1.1329 1.1329 1.3975 1.3975 1.6209 1.6209 1.8244 1.8244 2.1948 2.1948 2.3221 2.3221 2.3687 2.3687 2.3944 2.3944 2.7182 2.7182 2.7503 2.7503 3.3042 3.3042 3.3110 3.3110 3.5359 3.5359 3.8311 3.8311 3.9539 3.9539 3.9715 3.9715 4.0226 4.0226 4.1489 4.1489 4.2319 4.2319 4.3914 4.3914 4.7464 4.7464 4.7731 4.7731 4.9087 4.9087 4.9876 4.9876 5.2330 5.2330 5.8030 5.8030 5.8352 5.8352 7.1959 7.1959 7.5346 7.5346 7.5814 7.5814 7.8095 7.8095 7.8132 7.8132 10.9231 10.9231 11.3384 11.3384 k = 0.0000 0.5000-0.0000 ( 5910 PWs) bands (ev): -58.3900 -58.3900 -32.7824 -32.7824 -31.9537 -31.9537 -31.9532 -31.9532 -6.8773 -6.8773 -6.5884 -6.5884 -6.1116 -6.1116 -6.1107 -6.1107 1.1346 1.1346 1.4046 1.4046 1.6138 1.6138 1.8289 1.8289 2.1926 2.1926 2.3168 2.3168 2.3690 2.3690 2.3947 2.3947 2.7179 2.7179 2.7500 2.7500 3.3042 3.3042 3.3110 3.3110 3.5361 3.5361 3.8310 3.8310 3.9537 3.9537 3.9723 3.9723 4.0227 4.0227 4.1486 4.1486 4.2319 4.2319 4.3910 4.3910 4.7466 4.7466 4.7731 4.7731 4.9089 4.9089 4.9900 4.9900 5.2297 5.2297 5.8027 5.8027 5.8349 5.8349 7.1955 7.1955 7.5348 7.5348 7.5815 7.5815 7.8095 7.8095 7.8130 7.8130 10.9313 10.9313 11.3371 11.3371 k = 0.0000 0.5000-0.0000 ( 5910 PWs) bands (ev): -58.3900 -58.3900 -32.7824 -32.7824 -31.9537 -31.9537 -31.9532 -31.9532 -6.8773 -6.8773 -6.5884 -6.5884 -6.1116 -6.1116 -6.1107 -6.1107 1.1346 1.1346 1.4046 1.4046 1.6138 1.6138 1.8289 1.8289 2.1926 2.1926 2.3168 2.3168 2.3690 2.3690 2.3947 2.3947 2.7179 2.7179 2.7500 2.7500 3.3042 3.3042 3.3110 3.3110 3.5361 3.5361 3.8310 3.8310 3.9537 3.9537 3.9723 3.9723 4.0227 4.0227 4.1486 4.1486 4.2319 4.2319 4.3910 4.3910 4.7466 4.7466 4.7731 4.7731 4.9089 4.9089 4.9900 4.9900 5.2297 5.2297 5.8027 5.8027 5.8349 5.8349 7.1955 7.1955 7.5348 7.5348 7.5815 7.5815 7.8095 7.8095 7.8130 7.8130 10.9313 10.9313 11.3371 11.3371 k = 0.0167 0.5000-0.0000 ( 5922 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9537 -31.9537 -31.9532 -31.9532 -6.8769 -6.8768 -6.5881 -6.5881 -6.1121 -6.1120 -6.1111 -6.1110 1.1345 1.1354 1.4044 1.4047 1.6131 1.6138 1.8287 1.8295 2.1917 2.1933 2.3157 2.3165 2.3675 2.3709 2.3946 2.3952 2.7173 2.7177 2.7496 2.7497 3.2998 3.3054 3.3077 3.3109 3.5361 3.5384 3.8298 3.8317 3.9473 3.9589 3.9656 3.9773 4.0187 4.0317 4.1478 4.1485 4.2235 4.2446 4.3885 4.3944 4.7392 4.7475 4.7628 4.7837 4.9015 4.9221 4.9870 4.9922 5.2259 5.2343 5.7984 5.8050 5.8340 5.8340 7.1956 7.1973 7.5341 7.5357 7.5814 7.5827 7.8085 7.8098 7.8125 7.8143 10.9325 10.9331 11.3392 11.3414 k = 0.0333 0.5000-0.0000 ( 5922 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9537 -31.9537 -31.9532 -31.9532 -6.8754 -6.8753 -6.5873 -6.5872 -6.1134 -6.1134 -6.1122 -6.1120 1.1353 1.1370 1.4042 1.4048 1.6118 1.6133 1.8289 1.8305 2.1908 2.1940 2.3132 2.3149 2.3665 2.3733 2.3950 2.3961 2.7161 2.7169 2.7486 2.7488 3.2927 3.3006 3.3044 3.3073 3.5385 3.5430 3.8286 3.8320 3.9408 3.9557 3.9648 3.9809 4.0189 4.0447 4.1444 4.1499 4.2209 4.2598 4.3870 4.3986 4.7229 4.7453 4.7582 4.7882 4.9027 4.9380 4.9837 4.9940 5.2231 5.2400 5.7925 5.8056 5.8313 5.8314 7.1977 7.2010 7.5334 7.5365 7.5825 7.5850 7.8063 7.8077 7.8134 7.8182 10.9368 10.9380 11.3476 11.3521 k = 0.0500 0.5000-0.0000 ( 5914 PWs) bands (ev): -58.3900 -58.3900 -32.7824 -32.7824 -31.9537 -31.9537 -31.9532 -31.9532 -6.8730 -6.8728 -6.5858 -6.5857 -6.1158 -6.1158 -6.1137 -6.1136 1.1370 1.1394 1.4039 1.4048 1.6100 1.6122 1.8297 1.8321 2.1898 2.1946 2.3096 2.3122 2.3656 2.3758 2.3959 2.3974 2.7140 2.7154 2.7468 2.7474 3.2830 3.2910 3.3000 3.3006 3.5431 3.5496 3.8273 3.8318 3.9346 3.9470 3.9682 3.9840 4.0214 4.0600 4.1383 4.1544 4.2238 4.2760 4.3870 4.4041 4.7022 4.7402 4.7563 4.7861 4.9120 4.9533 4.9808 4.9970 5.2213 5.2466 5.7851 5.8042 5.8267 5.8273 7.2016 7.2066 7.5326 7.5372 7.5850 7.5886 7.8019 7.8034 7.8168 7.8243 10.9441 10.9458 11.3623 11.3691 k = 0.0667 0.5000-0.0000 ( 5920 PWs) bands (ev): -58.3900 -58.3900 -32.7824 -32.7824 -31.9537 -31.9537 -31.9532 -31.9532 -6.8695 -6.8693 -6.5837 -6.5837 -6.1194 -6.1192 -6.1157 -6.1157 1.1393 1.1426 1.4035 1.4047 1.6076 1.6105 1.8309 1.8341 2.1886 2.1950 2.3052 2.3087 2.3647 2.3780 2.3974 2.3995 2.7110 2.7133 2.7443 2.7456 3.2709 3.2788 3.2909 3.2930 3.5495 3.5579 3.8262 3.8311 3.9291 3.9387 3.9711 3.9871 4.0243 4.0759 4.1310 4.1628 4.2303 4.2910 4.3895 4.4111 4.6801 4.7315 4.7549 4.7807 4.9238 4.9636 4.9812 5.0045 5.2203 5.2541 5.7763 5.8009 5.8205 5.8218 7.2074 7.2141 7.5316 7.5375 7.5892 7.5939 7.7956 7.7975 7.8221 7.8320 10.9543 10.9566 11.3833 11.3922 k = 0.0833 0.5000-0.0000 ( 5924 PWs) bands (ev): -58.3900 -58.3900 -32.7824 -32.7824 -31.9537 -31.9537 -31.9532 -31.9532 -6.8651 -6.8649 -6.5811 -6.5810 -6.1239 -6.1237 -6.1183 -6.1183 1.1424 1.1465 1.4031 1.4046 1.6045 1.6081 1.8328 1.8367 2.1873 2.1951 2.3002 2.3046 2.3634 2.3797 2.3996 2.4024 2.7070 2.7105 2.7412 2.7436 3.2567 3.2644 3.2789 3.2837 3.5575 3.5674 3.8254 3.8299 3.9245 3.9317 3.9736 3.9906 4.0267 4.0900 4.1251 4.1751 4.2387 4.3027 4.3964 4.4201 4.6577 4.7189 4.7537 4.7753 4.9302 4.9660 4.9896 5.0188 5.2204 5.2624 5.7665 5.7961 5.8126 5.8149 7.2149 7.2232 7.5303 7.5374 7.5951 7.6008 7.7878 7.7902 7.8291 7.8410 10.9675 10.9703 11.4103 11.4214 k = 0.1000 0.5000-0.0000 ( 5924 PWs) bands (ev): -58.3900 -58.3900 -32.7824 -32.7824 -31.9537 -31.9537 -31.9533 -31.9533 -6.8597 -6.8595 -6.5779 -6.5778 -6.1295 -6.1291 -6.1215 -6.1215 1.1462 1.1510 1.4026 1.4044 1.6008 1.6051 1.8354 1.8401 2.1858 2.1949 2.2950 2.3002 2.3619 2.3806 2.4023 2.4062 2.7019 2.7070 2.7376 2.7413 3.2406 3.2481 3.2651 3.2724 3.5667 3.5779 3.8251 3.8284 3.9208 3.9262 3.9759 3.9944 4.0284 4.0969 4.1263 4.1908 4.2479 4.3095 4.4089 4.4315 4.6355 4.7032 4.7524 4.7708 4.9283 4.9628 5.0070 5.0370 5.2216 5.2715 5.7558 5.7899 5.8035 5.8069 7.2241 7.2341 7.5290 7.5369 7.6024 7.6091 7.7791 7.7820 7.8373 7.8510 10.9834 10.9868 11.4433 11.4565 k = 0.1167 0.5000-0.0000 ( 5928 PWs) bands (ev): -58.3900 -58.3900 -32.7824 -32.7824 -31.9537 -31.9537 -31.9533 -31.9533 -6.8534 -6.8531 -6.5741 -6.5740 -6.1360 -6.1355 -6.1252 -6.1251 1.1507 1.1562 1.4020 1.4040 1.5965 1.6014 1.8388 1.8442 2.1839 2.1942 2.2897 2.2957 2.3601 2.3810 2.4056 2.4107 2.6957 2.7027 2.7337 2.7390 3.2227 3.2304 3.2500 3.2596 3.5767 3.5889 3.8252 3.8266 3.9181 3.9221 3.9781 3.9985 4.0296 4.0943 4.1361 4.2091 4.2576 4.3111 4.4266 4.4454 4.6137 4.6855 4.7512 4.7672 4.9213 4.9566 5.0286 5.0562 5.2243 5.2814 5.7445 5.7830 5.7934 5.7976 7.2348 7.2464 7.5278 7.5364 7.6106 7.6182 7.7699 7.7734 7.8465 7.8616 11.0021 11.0059 11.4820 11.4971 k = 0.1333 0.5000-0.0000 ( 5926 PWs) bands (ev): -58.3900 -58.3900 -32.7824 -32.7824 -31.9537 -31.9537 -31.9533 -31.9533 -6.8462 -6.8458 -6.5698 -6.5697 -6.1434 -6.1429 -6.1294 -6.1294 1.1557 1.1619 1.4014 1.4036 1.5914 1.5969 1.8432 1.8493 2.1817 2.1930 2.2847 2.2912 2.3583 2.3810 2.4092 2.4157 2.6885 2.6973 2.7297 2.7366 3.2035 3.2115 3.2338 3.2454 3.5872 3.6003 3.8248 3.8259 3.9162 3.9195 3.9804 4.0028 4.0308 4.0888 4.1476 4.2289 4.2679 4.3090 4.4479 4.4618 4.5929 4.6665 4.7500 4.7641 4.9117 4.9484 5.0505 5.0747 5.2290 5.2919 5.7330 5.7757 5.7829 5.7872 7.2469 7.2601 7.5271 7.5361 7.6190 7.6274 7.7610 7.7653 7.8563 7.8727 11.0234 11.0277 11.5261 11.5431 k = 0.1500 0.5000-0.0000 ( 5934 PWs) bands (ev): -58.3901 -58.3901 -32.7825 -32.7825 -31.9537 -31.9537 -31.9533 -31.9533 -6.8381 -6.8376 -6.5650 -6.5649 -6.1517 -6.1512 -6.1342 -6.1341 1.1612 1.1680 1.4007 1.4031 1.5857 1.5917 1.8488 1.8555 2.1791 2.1910 2.2800 2.2870 2.3564 2.3809 2.4132 2.4211 2.6802 2.6908 2.7256 2.7342 3.1832 3.1919 3.2169 3.2301 3.5980 3.6118 3.8233 3.8272 3.9153 3.9180 3.9826 4.0073 4.0323 4.0830 4.1572 4.2492 4.2793 4.3046 4.4706 4.4803 4.5738 4.6470 4.7488 4.7611 4.9008 4.9386 5.0699 5.0915 5.2369 5.3030 5.7212 5.7682 5.7725 5.7761 7.2603 7.2750 7.5269 7.5363 7.6263 7.6353 7.7539 7.7586 7.8666 7.8841 11.0472 11.0519 11.5751 11.5938 k = 0.1667 0.5000-0.0000 ( 5932 PWs) bands (ev): -58.3900 -58.3900 -32.7825 -32.7825 -31.9537 -31.9537 -31.9533 -31.9533 -6.8290 -6.8286 -6.5596 -6.5595 -6.1610 -6.1604 -6.1395 -6.1393 1.1672 1.1745 1.3999 1.4025 1.5793 1.5858 1.8555 1.8628 2.1760 2.1883 2.2760 2.2830 2.3546 2.3806 2.4174 2.4267 2.6709 2.6831 2.7217 2.7318 3.1623 3.1717 3.1992 3.2139 3.6089 3.6233 3.8223 3.8291 3.9153 3.9174 3.9851 4.0118 4.0342 4.0778 4.1636 4.2683 4.2925 4.2999 4.4910 4.5004 4.5592 4.6275 4.7478 4.7581 4.8892 4.9277 5.0845 5.1055 5.2486 5.3147 5.7090 5.7587 5.7635 5.7670 7.2748 7.2910 7.5276 7.5372 7.6311 7.6400 7.7504 7.7550 7.8772 7.8955 11.0732 11.0783 11.6287 11.6488 k = 0.1833 0.5000-0.0000 ( 5936 PWs) bands (ev): -58.3900 -58.3900 -32.7825 -32.7825 -31.9538 -31.9538 -31.9533 -31.9533 -6.8192 -6.8187 -6.5538 -6.5537 -6.1711 -6.1704 -6.1452 -6.1451 1.1736 1.1813 1.3990 1.4017 1.5723 1.5791 1.8637 1.8714 2.1724 2.1847 2.2726 2.2796 2.3531 2.3804 2.4219 2.4324 2.6606 2.6741 2.7181 2.7293 3.1410 3.1513 3.1809 3.1968 3.6198 3.6346 3.8221 3.8314 3.9160 3.9176 3.9878 4.0163 4.0365 4.0734 4.1667 4.2785 4.3026 4.3073 4.5005 4.5212 4.5572 4.6086 4.7468 4.7551 4.8773 4.9159 5.0932 5.1161 5.2647 5.3268 5.6961 5.7453 5.7572 5.7625 7.2901 7.3077 7.5291 7.5389 7.6320 7.6399 7.7520 7.7559 7.8878 7.9067 11.1013 11.1068 11.6859 11.7071 k = 0.2000 0.5000-0.0000 ( 5936 PWs) bands (ev): -58.3900 -58.3900 -32.7825 -32.7825 -31.9538 -31.9538 -31.9533 -31.9533 -6.8085 -6.8079 -6.5475 -6.5474 -6.1820 -6.1813 -6.1514 -6.1512 1.1803 1.1884 1.3980 1.4009 1.5645 1.5716 1.8733 1.8815 2.1683 2.1803 2.2700 2.2766 2.3519 2.3803 2.4265 2.4382 2.6494 2.6640 2.7148 2.7269 3.1197 3.1308 3.1621 3.1791 3.6304 3.6455 3.8227 3.8343 3.9176 3.9182 3.9908 4.0207 4.0394 4.0699 4.1668 4.2741 4.3181 4.3237 4.4938 4.5401 4.5729 4.5926 4.7460 4.7520 4.8654 4.9034 5.0956 5.1224 5.2842 5.3390 5.6820 5.7300 5.7547 5.7612 7.3060 7.3249 7.5317 7.5418 7.6286 7.6346 7.7594 7.7618 7.8983 7.9177 11.1313 11.1371 11.7454 11.7669 k = 0.2167 0.5000-0.0000 ( 5930 PWs) bands (ev): -58.3900 -58.3900 -32.7825 -32.7825 -31.9538 -31.9538 -31.9534 -31.9534 -6.7970 -6.7964 -6.5408 -6.5406 -6.1937 -6.1929 -6.1580 -6.1578 1.1874 1.1957 1.3969 1.3999 1.5560 1.5634 1.8845 1.8930 2.1637 2.1752 2.2680 2.2742 2.3511 2.3805 2.4313 2.4441 2.6373 2.6526 2.7117 2.7244 3.0986 3.1105 3.1427 3.1607 3.6406 3.6562 3.8242 3.8376 3.9191 3.9198 3.9944 4.0249 4.0428 4.0674 4.1646 4.2653 4.3358 4.3411 4.4810 4.5477 4.5886 4.5962 4.7455 4.7489 4.8539 4.8906 5.0927 5.1242 5.3058 5.3511 5.6665 5.7135 5.7570 5.7631 7.3224 7.3424 7.5353 7.5458 7.6214 7.6251 7.7713 7.7722 7.9085 7.9283 11.1630 11.1691 11.8047 11.8246 k = 0.2333 0.5000-0.0000 ( 5928 PWs) bands (ev): -58.3900 -58.3900 -32.7825 -32.7825 -31.9538 -31.9538 -31.9534 -31.9534 -6.7848 -6.7842 -6.5337 -6.5335 -6.2062 -6.2054 -6.1651 -6.1649 1.1946 1.2031 1.3957 1.3988 1.5470 1.5544 1.8974 1.9060 2.1587 2.1695 2.2668 2.2723 2.3507 2.3810 2.4363 2.4500 2.6244 2.6401 2.7089 2.7220 3.0779 3.0906 3.1230 3.1418 3.6505 3.6664 3.8268 3.8412 3.9201 3.9225 3.9984 4.0287 4.0466 4.0657 4.1606 4.2551 4.3516 4.3593 4.4688 4.5370 4.6031 4.6210 4.7452 4.7460 4.8429 4.8778 5.0851 5.1213 5.3277 5.3628 5.6497 5.6961 5.7643 5.7687 7.3388 7.3598 7.5397 7.5511 7.6120 7.6130 7.7860 7.7862 7.9183 7.9383 11.1960 11.2023 11.8577 11.8717 k = 0.2500 0.5000-0.0000 ( 5916 PWs) bands (ev): -58.3900 -58.3900 -32.7825 -32.7825 -31.9538 -31.9538 -31.9534 -31.9534 -6.7719 -6.7712 -6.5261 -6.5260 -6.2194 -6.2185 -6.1725 -6.1722 1.2021 1.2106 1.3945 1.3976 1.5373 1.5448 1.9120 1.9207 2.1535 2.1634 2.2660 2.2710 2.3509 2.3817 2.4413 2.4558 2.6105 2.6266 2.7064 2.7196 3.0578 3.0711 3.1029 3.1225 3.6599 3.6762 3.8303 3.8453 3.9211 3.9257 4.0030 4.0321 4.0507 4.0648 4.1557 4.2444 4.3629 4.3777 4.4608 4.5206 4.6228 4.6454 4.7437 4.7451 4.8327 4.8654 5.0739 5.1139 5.3488 5.3738 5.6321 5.6779 5.7762 5.7779 7.3551 7.3768 7.5444 7.5577 7.5997 7.6020 7.8019 7.8031 7.9276 7.9476 11.2301 11.2366 11.8920 11.8953 k = 0.2667 0.5000-0.0000 ( 5936 PWs) bands (ev): -58.3900 -58.3900 -32.7825 -32.7825 -31.9538 -31.9538 -31.9534 -31.9534 -6.7583 -6.7576 -6.5183 -6.5181 -6.2332 -6.2323 -6.1802 -6.1800 1.2097 1.2183 1.3932 1.3962 1.5270 1.5344 1.9282 1.9369 2.1480 2.1570 2.2657 2.2700 2.3515 2.3828 2.4464 2.4615 2.5958 2.6119 2.7041 2.7173 3.0385 3.0521 3.0827 3.1029 3.6687 3.6854 3.8347 3.8496 3.9220 3.9289 4.0080 4.0351 4.0551 4.0646 4.1503 4.2333 4.3669 4.3956 4.4600 4.5037 4.6418 4.6681 4.7427 4.7453 4.8236 4.8541 5.0596 5.1023 5.3680 5.3839 5.6138 5.6592 5.7909 5.7922 7.3710 7.3930 7.5483 7.5651 7.5865 7.5935 7.8190 7.8209 7.9363 7.9562 11.2650 11.2716 11.8945 11.8989 k = 0.2833 0.5000-0.0000 ( 5940 PWs) bands (ev): -58.3900 -58.3900 -32.7825 -32.7825 -31.9538 -31.9538 -31.9534 -31.9534 -6.7441 -6.7434 -6.5102 -6.5100 -6.2477 -6.2467 -6.1882 -6.1880 1.2176 1.2260 1.3918 1.3948 1.5162 1.5234 1.9462 1.9547 2.1425 2.1505 2.2657 2.2695 2.3527 2.3842 2.4516 2.4671 2.5802 2.5963 2.7020 2.7151 3.0200 3.0339 3.0624 3.0832 3.6772 3.6942 3.8398 3.8542 3.9228 3.9322 4.0135 4.0374 4.0596 4.0652 4.1451 4.2222 4.3630 4.4119 4.4673 4.4887 4.6575 4.6881 4.7445 4.7455 4.8158 4.8449 5.0429 5.0870 5.3849 5.3932 5.5954 5.6402 5.8072 5.8115 7.3862 7.4081 7.5484 7.5670 7.5805 7.5900 7.8369 7.8391 7.9444 7.9641 11.3003 11.3070 11.8795 11.8866 k = 0.3000 0.5000-0.0000 ( 5958 PWs) bands (ev): -58.3901 -58.3901 -32.7826 -32.7826 -31.9538 -31.9538 -31.9534 -31.9534 -6.7294 -6.7286 -6.5018 -6.5016 -6.2626 -6.2617 -6.1965 -6.1962 1.2256 1.2338 1.3904 1.3934 1.5049 1.5119 1.9658 1.9740 2.1370 2.1441 2.2660 2.2692 2.3542 2.3860 2.4568 2.4725 2.5637 2.5796 2.7002 2.7129 3.0024 3.0165 3.0422 3.0634 3.6851 3.7024 3.8456 3.8591 3.9235 3.9352 4.0195 4.0390 4.0641 4.0663 4.1404 4.2113 4.3538 4.4228 4.4795 4.4804 4.6677 4.7041 4.7452 4.7503 4.8097 4.8393 5.0241 5.0686 5.3994 5.4016 5.5769 5.6210 5.8264 5.8331 7.4004 7.4219 7.5430 7.5556 7.5897 7.5937 7.8549 7.8574 7.9517 7.9710 11.3357 11.3423 11.8571 11.8646 k = 0.3167 0.5000-0.0000 ( 5950 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9539 -31.9539 -31.9534 -31.9534 -6.7142 -6.7134 -6.4933 -6.4931 -6.2781 -6.2771 -6.2049 -6.2047 1.2338 1.2417 1.3890 1.3919 1.4933 1.4999 1.9871 1.9949 2.1317 2.1379 2.2665 2.2692 2.3563 2.3880 2.4619 2.4777 2.5463 2.5621 2.6987 2.7108 2.9859 2.9999 3.0224 3.0437 3.6927 3.7102 3.8520 3.8642 3.9240 3.9378 4.0257 4.0397 4.0681 4.0685 4.1368 4.2010 4.3421 4.4220 4.4826 4.4966 4.6720 4.7158 4.7434 4.7595 4.8063 4.8388 5.0038 5.0479 5.4092 5.4115 5.5589 5.6018 5.8477 5.8562 7.4135 7.4341 7.5343 7.5430 7.6022 7.6027 7.8728 7.8753 7.9582 7.9770 11.3708 11.3773 11.8306 11.8376 k = 0.3333 0.5000-0.0000 ( 5952 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9539 -31.9539 -31.9534 -31.9534 -6.6986 -6.6977 -6.4846 -6.4844 -6.2939 -6.2929 -6.2135 -6.2132 1.2423 1.2497 1.3876 1.3903 1.4813 1.4875 2.0098 2.0171 2.1266 2.1320 2.2670 2.2693 2.3587 2.3902 2.4670 2.4825 2.5280 2.5435 2.6974 2.7088 2.9706 2.9843 3.0031 3.0244 3.7000 3.7175 3.8586 3.8694 3.9242 3.9397 4.0321 4.0395 4.0704 4.0725 4.1345 4.1914 4.3295 4.4112 4.4963 4.5144 4.6719 4.7232 4.7393 4.7682 4.8075 4.8436 4.9825 5.0254 5.4160 5.4214 5.5414 5.5829 5.8702 5.8798 7.4253 7.4448 7.5245 7.5310 7.6144 7.6162 7.8901 7.8926 7.9640 7.9820 11.4052 11.4116 11.8020 11.8081 k = 0.3500 0.5000-0.0000 ( 5954 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9539 -31.9539 -31.9534 -31.9534 -6.6827 -6.6818 -6.4759 -6.4757 -6.3100 -6.3090 -6.2221 -6.2218 1.2509 1.2579 1.3863 1.3888 1.4691 1.4749 2.0339 2.0405 2.1219 2.1266 2.2677 2.2696 2.3612 2.3926 2.4720 2.4868 2.5089 2.5242 2.6963 2.7070 2.9564 2.9698 2.9847 3.0056 3.7069 3.7241 3.8654 3.8747 3.9243 3.9409 4.0385 4.0385 4.0732 4.0758 4.1336 4.1831 4.3169 4.3966 4.5146 4.5330 4.6694 4.7264 4.7343 4.7722 4.8155 4.8520 4.9604 5.0019 5.4221 5.4295 5.5248 5.5644 5.8931 5.9032 7.4360 7.4538 7.5150 7.5199 7.6277 7.6309 7.9066 7.9090 7.9690 7.9860 11.4385 11.4446 11.7727 11.7779 k = 0.3667 0.5000-0.0000 ( 5956 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9539 -31.9539 -31.9534 -31.9534 -6.6666 -6.6657 -6.4673 -6.4671 -6.3263 -6.3252 -6.2306 -6.2303 1.2598 1.2663 1.3850 1.3873 1.4568 1.4620 2.0591 2.0650 2.1177 2.1216 2.2684 2.2700 2.3638 2.3950 2.4767 2.4864 2.4931 2.5042 2.6955 2.7053 2.9435 2.9563 2.9674 2.9875 3.7135 3.7302 3.8722 3.8801 3.9241 3.9412 4.0369 4.0448 4.0762 4.0780 4.1341 4.1764 4.3048 4.3808 4.5347 4.5521 4.6660 4.7211 4.7344 4.7720 4.8280 4.8615 4.9385 4.9785 5.4276 5.4360 5.5094 5.5465 5.9156 5.9257 7.4453 7.4615 7.5061 7.5099 7.6418 7.6460 7.9222 7.9242 7.9732 7.9891 11.4703 11.4761 11.7438 11.7482 k = 0.3833 0.5000-0.0000 ( 5956 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9539 -31.9539 -31.9535 -31.9535 -6.6505 -6.6496 -6.4589 -6.4587 -6.3426 -6.3415 -6.2389 -6.2387 1.2689 1.2747 1.3838 1.3858 1.4445 1.4491 2.0852 2.0900 2.1146 2.1174 2.2690 2.2704 2.3661 2.3973 2.4664 2.4795 2.4853 2.4953 2.6949 2.7038 2.9319 2.9441 2.9516 2.9704 3.7198 3.7356 3.8789 3.8853 3.9238 3.9406 4.0353 4.0507 4.0787 4.0791 4.1360 4.1717 4.2938 4.3650 4.5557 4.5714 4.6625 4.7123 4.7366 4.7699 4.8404 4.8689 4.9180 4.9569 5.4325 5.4412 5.4953 5.5295 5.9371 5.9467 7.4535 7.4677 7.4982 7.5012 7.6559 7.6609 7.9364 7.9380 7.9767 7.9912 11.5001 11.5054 11.7164 11.7199 k = 0.4000 0.5000-0.0000 ( 5952 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9539 -31.9539 -31.9535 -31.9535 -6.6345 -6.6337 -6.4508 -6.4507 -6.3586 -6.3576 -6.2469 -6.2467 1.2782 1.2834 1.3827 1.3845 1.4324 1.4363 2.1066 2.1080 2.1179 2.1209 2.2697 2.2708 2.3676 2.3994 2.4442 2.4621 2.4863 2.4982 2.6945 2.7024 2.9218 2.9331 2.9376 2.9545 3.7258 3.7403 3.8853 3.8905 3.9233 3.9391 4.0342 4.0563 4.0779 4.0817 4.1390 4.1691 4.2840 4.3494 4.5771 4.5908 4.6596 4.7032 4.7387 4.7672 4.8477 4.8699 4.9027 4.9406 5.4367 5.4453 5.4830 5.5136 5.9570 5.9657 7.4605 7.4728 7.4913 7.4936 7.6698 7.6750 7.9492 7.9503 7.9797 7.9924 11.5275 11.5323 11.6911 11.6939 k = 0.4167 0.5000-0.0000 ( 5956 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9539 -31.9539 -31.9535 -31.9535 -6.6190 -6.6182 -6.4433 -6.4432 -6.3742 -6.3732 -6.2544 -6.2542 1.2876 1.2921 1.3817 1.3832 1.4204 1.4237 2.1058 2.1083 2.1422 2.1460 2.2702 2.2712 2.3672 2.4011 2.4210 2.4424 2.4901 2.5006 2.6944 2.7011 2.9131 2.9236 2.9256 2.9401 3.7313 3.7442 3.8914 3.8953 3.9225 3.9367 4.0338 4.0608 4.0758 4.0837 4.1428 4.1683 4.2759 4.3343 4.5982 4.6100 4.6583 4.6948 4.7407 4.7642 4.8424 4.8603 4.8991 4.9334 5.4403 5.4485 5.4726 5.4990 5.9746 5.9822 7.4665 7.4768 7.4855 7.4873 7.6827 7.6878 7.9604 7.9607 7.9823 7.9929 11.5520 11.5562 11.6686 11.6709 k = 0.4333 0.5000-0.0000 ( 5940 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9539 -31.9539 -31.9535 -31.9535 -6.6044 -6.6036 -6.4365 -6.4364 -6.3889 -6.3879 -6.2611 -6.2609 1.2971 1.3008 1.3808 1.3820 1.4090 1.4116 2.1038 2.1057 2.1703 2.1732 2.2708 2.2716 2.3629 2.3946 2.4045 2.4254 2.4937 2.5025 2.6944 2.6999 2.9061 2.9155 2.9158 2.9275 3.7363 3.7473 3.8972 3.8999 3.9215 3.9337 4.0344 4.0633 4.0741 4.0850 4.1472 4.1686 4.2701 4.3201 4.6179 4.6281 4.6599 4.6884 4.7424 4.7610 4.8266 4.8420 4.9054 4.9332 5.4433 5.4508 5.4645 5.4859 5.9897 5.9960 7.4716 7.4795 7.4808 7.4824 7.6942 7.6989 7.9691 7.9697 7.9847 7.9928 11.5731 11.5765 11.6496 11.6512 k = 0.4500 0.5000-0.0000 ( 5936 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9539 -31.9539 -31.9535 -31.9535 -6.5912 -6.5905 -6.4308 -6.4308 -6.4020 -6.4011 -6.2668 -6.2667 1.3062 1.3092 1.3801 1.3810 1.3985 1.4004 2.1020 2.1035 2.1989 2.2007 2.2712 2.2718 2.3521 2.3701 2.4047 2.4140 2.4969 2.5037 2.6946 2.6988 2.9009 2.9085 2.9090 2.9167 3.7407 3.7493 3.9026 3.9041 3.9202 3.9301 4.0361 4.0614 4.0752 4.0856 4.1520 4.1691 4.2668 4.3067 4.6326 4.6430 4.6677 4.6860 4.7436 4.7572 4.8076 4.8200 4.9143 4.9353 5.4456 5.4524 5.4589 5.4745 6.0020 6.0068 7.4756 7.4772 7.4780 7.4820 7.7039 7.7078 7.9753 7.9769 7.9872 7.9923 11.5904 11.5930 11.6344 11.6355 k = 0.4667 0.5000-0.0000 ( 5932 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9539 -31.9539 -31.9535 -31.9535 -6.5803 -6.5798 -6.4267 -6.4266 -6.4125 -6.4118 -6.2712 -6.2711 1.3146 1.3167 1.3793 1.3798 1.3898 1.3910 2.1008 2.1018 2.2274 2.2279 2.2715 2.2721 2.3345 2.3441 2.4053 2.4085 2.4996 2.5042 2.6950 2.6978 2.8976 2.9034 2.9041 2.9081 3.7445 3.7504 3.9076 3.9078 3.9187 3.9262 4.0388 4.0569 4.0779 4.0854 4.1567 4.1689 4.2666 4.2946 4.6403 4.6504 4.6834 4.6920 4.7438 4.7518 4.7898 4.7982 4.9226 4.9367 5.4474 5.4534 5.4558 5.4652 6.0111 6.0143 7.4747 7.4752 7.4788 7.4830 7.7114 7.7142 7.9794 7.9817 7.9896 7.9919 11.6032 11.6049 11.6233 11.6240 k = 0.4833 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9540 -31.9540 -31.9535 -31.9535 -6.5729 -6.5727 -6.4248 -6.4247 -6.4187 -6.4183 -6.2739 -6.2739 1.3211 1.3222 1.3779 1.3781 1.3843 1.3849 2.1002 2.1007 2.2538 2.2547 2.2717 2.2724 2.3133 2.3182 2.4057 2.4065 2.5017 2.5040 2.6956 2.6970 2.8966 2.9006 2.9010 2.9020 3.7474 3.7504 3.9110 3.9121 3.9171 3.9220 4.0425 4.0519 4.0807 4.0846 4.1612 4.1676 4.2696 4.2841 4.6446 4.6505 4.7023 4.7052 4.7406 4.7432 4.7774 4.7808 4.9294 4.9365 5.4494 5.4538 5.4547 5.4581 6.0170 6.0186 7.4733 7.4735 7.4812 7.4833 7.7164 7.7179 7.9820 7.9838 7.9914 7.9919 11.6113 11.6119 11.6169 11.6170 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9540 -31.9540 -31.9535 -31.9535 -6.5702 -6.5702 -6.4250 -6.4250 -6.4199 -6.4199 -6.2748 -6.2748 1.3240 1.3240 1.3768 1.3768 1.3830 1.3830 2.1002 2.1002 2.2699 2.2699 2.2735 2.2735 2.2996 2.2996 2.4059 2.4059 2.5032 2.5032 2.6962 2.6962 2.8980 2.8980 2.8999 2.8999 3.7494 3.7494 3.9134 3.9134 3.9180 3.9180 4.0469 4.0469 4.0829 4.0829 4.1649 4.1649 4.2756 4.2756 4.6479 4.6479 4.7145 4.7145 4.7352 4.7352 4.7737 4.7737 4.9341 4.9341 5.4523 5.4523 5.4547 5.4547 6.0195 6.0195 7.4729 7.4729 7.4826 7.4826 7.7186 7.7186 7.9835 7.9835 7.9921 7.9921 11.6134 11.6134 11.6154 11.6154 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9540 -31.9540 -31.9535 -31.9535 -6.5702 -6.5702 -6.4250 -6.4250 -6.4199 -6.4199 -6.2748 -6.2748 1.3240 1.3240 1.3768 1.3768 1.3830 1.3830 2.1002 2.1002 2.2699 2.2699 2.2735 2.2735 2.2996 2.2996 2.4059 2.4059 2.5032 2.5032 2.6962 2.6962 2.8980 2.8980 2.8999 2.8999 3.7494 3.7494 3.9134 3.9134 3.9180 3.9180 4.0469 4.0469 4.0829 4.0829 4.1649 4.1649 4.2756 4.2756 4.6479 4.6479 4.7145 4.7145 4.7352 4.7352 4.7737 4.7737 4.9341 4.9341 5.4523 5.4523 5.4547 5.4547 6.0195 6.0195 7.4729 7.4729 7.4826 7.4826 7.7186 7.7186 7.9835 7.9835 7.9921 7.9921 11.6134 11.6134 11.6154 11.6154 k = 0.4881 0.4881-0.0000 ( 5912 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9540 -31.9540 -31.9535 -31.9535 -6.5730 -6.5727 -6.4242 -6.4242 -6.4192 -6.4188 -6.2739 -6.2738 1.3211 1.3222 1.3775 1.3777 1.3848 1.3853 2.1002 2.1007 2.2524 2.2549 2.2707 2.2741 2.3143 2.3175 2.4058 2.4064 2.5017 2.5040 2.6955 2.6970 2.8965 2.9005 2.9014 2.9020 3.7473 3.7504 3.9100 3.9139 3.9161 3.9222 4.0424 4.0519 4.0806 4.0846 4.1611 4.1676 4.2695 4.2843 4.6443 4.6507 4.7019 4.7054 4.7413 4.7424 4.7775 4.7810 4.9293 4.9365 5.4493 5.4534 5.4562 5.4572 6.0170 6.0186 7.4733 7.4735 7.4812 7.4833 7.7164 7.7178 7.9817 7.9840 7.9913 7.9919 11.6081 11.6093 11.6198 11.6199 k = 0.4762 0.4762-0.0000 ( 5944 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9539 -31.9539 -31.9535 -31.9535 -6.5808 -6.5803 -6.4222 -6.4222 -6.4167 -6.4158 -6.2711 -6.2709 1.3148 1.3168 1.3764 1.3764 1.3929 1.3938 2.1009 2.1018 2.2246 2.2265 2.2703 2.2773 2.3377 2.3411 2.4059 2.4074 2.4998 2.5042 2.6949 2.6979 2.8966 2.9025 2.9057 2.9087 3.7443 3.7504 3.9043 3.9137 3.9157 3.9264 4.0385 4.0572 4.0778 4.0855 4.1562 4.1692 4.2661 4.2952 4.6388 4.6519 4.6829 4.6923 4.7443 4.7503 4.7904 4.7990 4.9224 4.9367 5.4472 5.4532 5.4586 5.4628 6.0110 6.0143 7.4747 7.4752 7.4789 7.4830 7.7113 7.7141 7.9774 7.9830 7.9899 7.9920 11.5913 11.5936 11.6355 11.6358 k = 0.4643 0.4643-0.0000 ( 5944 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9539 -31.9539 -31.9535 -31.9535 -6.5927 -6.5921 -6.4198 -6.4196 -6.4121 -6.4109 -6.2665 -6.2663 1.3070 1.3098 1.3729 1.3730 1.4056 1.4071 2.1024 2.1033 2.1948 2.1956 2.2711 2.2815 2.3603 2.3626 2.4068 2.4099 2.4980 2.5039 2.6945 2.6990 2.8979 2.9056 2.9133 2.9184 3.7405 3.7493 3.8981 3.9133 3.9156 3.9301 4.0353 4.0619 4.0752 4.0859 4.1507 4.1698 4.2655 4.3083 4.6292 4.6440 4.6728 4.6839 4.7436 4.7546 4.8088 4.8214 4.9138 4.9354 5.4461 5.4535 5.4622 5.4697 6.0018 6.0067 7.4753 7.4772 7.4784 7.4820 7.7035 7.7077 7.9703 7.9789 7.9895 7.9929 11.5651 11.5683 11.6613 11.6619 k = 0.4524 0.4524-0.0000 ( 5944 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9539 -31.9539 -31.9535 -31.9535 -6.6079 -6.6072 -6.4168 -6.4165 -6.4061 -6.4047 -6.2604 -6.2601 1.2986 1.3021 1.3676 1.3680 1.4213 1.4233 2.1048 2.1050 2.1635 2.1642 2.2728 2.2867 2.3789 2.3797 2.4093 2.4153 2.4973 2.5036 2.6942 2.7003 2.9002 2.9096 2.9239 2.9307 3.7360 3.7473 3.8914 3.9129 3.9155 3.9332 4.0326 4.0636 4.0749 4.0857 4.1445 4.1695 4.2676 4.3231 4.6150 4.6248 4.6749 4.6815 4.7413 4.7572 4.8285 4.8437 4.9046 4.9337 5.4457 5.4545 5.4667 5.4774 5.9899 5.9962 7.4714 7.4793 7.4814 7.4821 7.6934 7.6986 7.9606 7.9716 7.9903 7.9943 11.5310 11.5349 11.6965 11.6975 k = 0.4405 0.4405-0.0000 ( 5948 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9539 -31.9539 -31.9535 -31.9535 -6.6257 -6.6249 -6.4132 -6.4128 -6.3993 -6.3979 -6.2530 -6.2527 1.2901 1.2943 1.3609 1.3614 1.4391 1.4417 2.1044 2.1080 2.1303 2.1359 2.2754 2.2928 2.3881 2.3923 2.4165 2.4246 2.4990 2.5043 2.6939 2.7018 2.9033 2.9145 2.9372 2.9453 3.7309 3.7443 3.8845 3.9125 3.9152 3.9356 4.0303 4.0610 4.0782 4.0851 4.1381 4.1685 4.2724 4.3394 4.5979 4.6027 4.6811 4.6838 4.7383 4.7592 4.8448 4.8621 4.8983 4.9346 5.4458 5.4561 5.4719 5.4854 5.9755 5.9833 7.4666 7.4770 7.4855 7.4871 7.6813 7.6874 7.9486 7.9619 7.9917 7.9960 11.4903 11.4946 11.7399 11.7416 k = 0.4286 0.4286-0.0000 ( 5948 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9539 -31.9539 -31.9535 -31.9535 -6.6454 -6.6446 -6.4090 -6.4084 -6.3921 -6.3907 -6.2448 -6.2443 1.2815 1.2862 1.3526 1.3533 1.4588 1.4620 2.0879 2.0959 2.1129 2.1237 2.2789 2.2998 2.3921 2.3973 2.4281 2.4341 2.5053 2.5074 2.6939 2.7036 2.9074 2.9200 2.9528 2.9617 3.7253 3.7405 3.8773 3.9122 3.9149 3.9374 4.0282 4.0566 4.0821 4.0843 4.1315 4.1668 4.2796 4.3567 4.5797 4.5804 4.6887 4.6891 4.7348 4.7613 4.8489 4.8711 4.9031 4.9432 5.4462 5.4586 5.4776 5.4932 5.9594 5.9685 7.4611 7.4735 7.4909 7.4930 7.6677 7.6743 7.9347 7.9502 7.9931 7.9978 11.4440 11.4486 11.7902 11.7929 k = 0.4167 0.4167-0.0000 ( 5950 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9539 -31.9539 -31.9535 -31.9535 -6.6666 -6.6658 -6.4040 -6.4033 -6.3847 -6.3833 -6.2358 -6.2353 1.2726 1.2778 1.3429 1.3437 1.4802 1.4840 2.0570 2.0612 2.1188 2.1265 2.2830 2.3073 2.3940 2.3993 2.4380 2.4398 2.5145 2.5174 2.6941 2.7057 2.9122 2.9263 2.9701 2.9795 3.7194 3.7359 3.8699 3.9119 3.9146 3.9386 4.0261 4.0517 4.0832 4.0850 4.1253 4.1646 4.2893 4.3748 4.5585 4.5611 4.6965 4.6967 4.7309 4.7639 4.8396 4.8692 4.9201 4.9609 5.4470 5.4622 5.4833 5.5001 5.9423 5.9525 7.4550 7.4693 7.4972 7.4998 7.6528 7.6597 7.9194 7.9369 7.9946 7.9994 11.3929 11.3976 11.8457 11.8498 k = 0.4048 0.4048-0.0000 ( 5950 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9539 -31.9539 -31.9534 -31.9534 -6.6889 -6.6882 -6.3984 -6.3975 -6.3771 -6.3756 -6.2266 -6.2259 1.2633 1.2690 1.3317 1.3327 1.5032 1.5076 2.0232 2.0261 2.1263 2.1333 2.2878 2.3154 2.3954 2.4009 2.4415 2.4434 2.5268 2.5343 2.6945 2.7082 2.9177 2.9331 2.9889 2.9985 3.7133 3.7306 3.8624 3.9117 3.9141 3.9392 4.0238 4.0468 4.0822 4.0860 4.1203 4.1621 4.3010 4.3934 4.5373 4.5425 4.7044 4.7054 4.7267 4.7675 4.8244 4.8606 4.9419 4.9838 5.4477 5.4670 5.4887 5.5052 5.9250 5.9362 7.4483 7.4644 7.5042 7.5076 7.6372 7.6441 7.9030 7.9225 7.9958 8.0008 11.3376 11.3423 11.9045 11.9103 k = 0.3929 0.3929-0.0000 ( 5952 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9539 -31.9539 -31.9534 -31.9534 -6.7122 -6.7115 -6.3920 -6.3911 -6.3693 -6.3678 -6.2172 -6.2165 1.2533 1.2594 1.3192 1.3203 1.5276 1.5325 1.9886 1.9906 2.1357 2.1423 2.2928 2.3235 2.3968 2.4029 2.4407 2.4447 2.5435 2.5544 2.6952 2.7110 2.9239 2.9404 3.0087 3.0181 3.7072 3.7248 3.8546 3.9115 3.9137 3.9393 4.0209 4.0419 4.0813 4.0841 4.1172 4.1595 4.3145 4.4122 4.5170 4.5243 4.7111 4.7155 4.7220 4.7724 4.8068 4.8483 4.9650 5.0087 5.4479 5.4732 5.4936 5.5079 5.9086 5.9206 7.4412 7.4590 7.5118 7.5161 7.6212 7.6278 7.8858 7.9071 7.9967 8.0018 11.2785 11.2831 11.9639 11.9717 k = 0.3810 0.3810-0.0000 ( 5966 PWs) bands (ev): -58.3901 -58.3901 -32.7826 -32.7826 -31.9539 -31.9539 -31.9534 -31.9534 -6.7361 -6.7354 -6.3851 -6.3840 -6.3612 -6.3598 -6.2078 -6.2070 1.2425 1.2489 1.3052 1.3066 1.5532 1.5588 1.9536 1.9551 2.1469 2.1533 2.2978 2.3313 2.3986 2.4059 2.4388 2.4434 2.5629 2.5762 2.6962 2.7141 2.9306 2.9482 3.0291 3.0382 3.7010 3.7184 3.8468 3.9113 3.9132 3.9390 4.0173 4.0371 4.0793 4.0806 4.1163 4.1569 4.3293 4.4303 4.4980 4.5064 4.7162 4.7169 4.7265 4.7777 4.7892 4.8341 4.9884 5.0340 5.4466 5.4812 5.4985 5.5071 5.8941 5.9067 7.4338 7.4532 7.5195 7.5254 7.6055 7.6110 7.8683 7.8911 7.9971 8.0024 11.2159 11.2203 11.9723 11.9756 k = 0.3690 0.3690-0.0000 ( 5960 PWs) bands (ev): -58.3901 -58.3901 -32.7826 -32.7826 -31.9538 -31.9538 -31.9534 -31.9534 -6.7605 -6.7599 -6.3775 -6.3763 -6.3530 -6.3515 -6.1987 -6.1979 1.2308 1.2374 1.2899 1.2915 1.5800 1.5862 1.9188 1.9197 2.1603 2.1664 2.3026 2.3382 2.4012 2.4107 2.4368 2.4407 2.5842 2.5992 2.6975 2.7176 2.9379 2.9564 3.0500 3.0586 3.6949 3.7117 3.8390 3.9110 3.9128 3.9384 4.0126 4.0326 4.0724 4.0805 4.1171 4.1546 4.3452 4.4457 4.4825 4.4890 4.7113 4.7194 4.7381 4.7662 4.7894 4.8190 5.0118 5.0592 5.4423 5.4910 5.5023 5.5043 5.8822 5.8955 7.4263 7.4470 7.5268 7.5351 7.5908 7.5943 7.8506 7.8748 7.9970 8.0023 11.1503 11.1544 11.9387 11.9420 k = 0.3571 0.3571-0.0000 ( 5960 PWs) bands (ev): -58.3901 -58.3901 -32.7825 -32.7825 -31.9538 -31.9538 -31.9534 -31.9534 -6.7853 -6.7847 -6.3693 -6.3680 -6.3444 -6.3430 -6.1899 -6.1890 1.2178 1.2247 1.2734 1.2751 1.6077 1.6145 1.8842 1.8848 2.1757 2.1815 2.3068 2.3436 2.4044 2.4176 2.4354 2.4373 2.6067 2.6229 2.6992 2.7214 2.9457 2.9649 3.0709 3.0789 3.6889 3.7048 3.8314 3.9106 3.9122 3.9376 4.0066 4.0279 4.0646 4.0809 4.1188 4.1526 4.3618 4.4473 4.4720 4.4815 4.7049 4.7202 4.7470 4.7500 4.7986 4.8036 5.0353 5.0839 5.4339 5.4924 5.5032 5.5121 5.8737 5.8875 7.4188 7.4407 7.5319 7.5448 7.5784 7.5789 7.8333 7.8585 7.9963 8.0016 11.0819 11.0857 11.9035 11.9069 k = 0.3452 0.3452-0.0000 ( 5960 PWs) bands (ev): -58.3901 -58.3901 -32.7825 -32.7825 -31.9538 -31.9538 -31.9534 -31.9534 -6.8103 -6.8098 -6.3606 -6.3592 -6.3356 -6.3342 -6.1816 -6.1806 1.2037 1.2106 1.2557 1.2575 1.6359 1.6434 1.8504 1.8504 2.1932 2.1985 2.3101 2.3472 2.4075 2.4261 2.4346 2.4358 2.6302 2.6471 2.7012 2.7256 2.9538 2.9737 3.0917 3.0991 3.6830 3.6976 3.8241 3.9100 3.9116 3.9368 3.9993 4.0229 4.0568 4.0820 4.1212 4.1510 4.3787 4.4340 4.4555 4.4957 4.6974 4.7146 4.7323 4.7616 4.7890 4.8084 5.0589 5.1081 5.4205 5.4784 5.5171 5.5225 5.8689 5.8831 7.4114 7.4344 7.5312 7.5503 7.5673 7.5736 7.8164 7.8423 7.9948 8.0001 11.0110 11.0143 11.8675 11.8709 k = 0.3333 0.3333-0.0000 ( 5960 PWs) bands (ev): -58.3901 -58.3901 -32.7825 -32.7825 -31.9538 -31.9538 -31.9534 -31.9534 -6.8354 -6.8349 -6.3514 -6.3499 -6.3265 -6.3251 -6.1737 -6.1727 1.1882 1.1951 1.2368 1.2388 1.6640 1.6723 1.8174 1.8180 2.2126 2.2174 2.3124 2.3491 2.4094 2.4278 2.4396 2.4412 2.6545 2.6718 2.7036 2.7303 2.9624 2.9827 3.1123 3.1190 3.6771 3.6903 3.8173 3.9090 3.9109 3.9360 3.9906 4.0167 4.0501 4.0837 4.1239 4.1500 4.3954 4.4180 4.4398 4.5130 4.6882 4.6972 4.7282 4.7691 4.7793 4.8181 5.0829 5.1318 5.4024 5.4598 5.5331 5.5357 5.8675 5.8822 7.4044 7.4283 7.5232 7.5406 7.5721 7.5762 7.8003 7.8265 7.9925 7.9978 10.9377 10.9406 11.8313 11.8347 k = 0.3214 0.3214-0.0000 ( 5960 PWs) bands (ev): -58.3901 -58.3901 -32.7825 -32.7825 -31.9537 -31.9537 -31.9534 -31.9534 -6.8605 -6.8601 -6.3417 -6.3401 -6.3171 -6.3158 -6.1664 -6.1654 1.1715 1.1783 1.2169 1.2190 1.6901 1.6993 1.7874 1.7888 2.2338 2.2379 2.3138 2.3496 2.4095 2.4245 2.4473 2.4550 2.6795 2.6965 2.7065 2.7358 2.9712 2.9919 3.1323 3.1384 3.6712 3.6829 3.8112 3.9076 3.9098 3.9354 3.9809 4.0092 4.0452 4.0861 4.1270 4.1494 4.4019 4.4099 4.4267 4.5307 4.6759 4.6770 4.7273 4.7607 4.7867 4.8268 5.1077 5.1553 5.3803 5.4374 5.5512 5.5515 5.8693 5.8844 7.3979 7.4224 7.5113 7.5260 7.5825 7.5831 7.7852 7.8114 7.9895 7.9947 10.8623 10.8648 11.7952 11.7986 k = 0.3095 0.3095-0.0000 ( 5938 PWs) bands (ev): -58.3901 -58.3901 -32.7825 -32.7825 -31.9537 -31.9537 -31.9534 -31.9534 -6.8854 -6.8850 -6.3316 -6.3300 -6.3076 -6.3062 -6.1597 -6.1586 1.1535 1.1602 1.1960 1.1983 1.7061 1.7150 1.7699 1.7708 2.2563 2.2595 2.3145 2.3491 2.4087 2.4215 2.4585 2.4711 2.7050 2.7101 2.7201 2.7433 2.9804 3.0014 3.1517 3.1571 3.6651 3.6755 3.8062 3.9056 3.9080 3.9350 3.9705 4.0005 4.0422 4.0891 4.1303 4.1493 4.3862 4.4056 4.4324 4.5481 4.6537 4.6634 4.7269 4.7514 4.7967 4.8342 5.1337 5.1791 5.3550 5.4121 5.5697 5.5710 5.8737 5.8890 7.3921 7.4171 7.4985 7.5114 7.5912 7.5934 7.7716 7.7970 7.9856 7.9907 10.7850 10.7870 11.7595 11.7628 k = 0.2976 0.2976-0.0000 ( 5944 PWs) bands (ev): -58.3901 -58.3901 -32.7825 -32.7825 -31.9537 -31.9537 -31.9534 -31.9534 -6.9102 -6.9098 -6.3211 -6.3195 -6.2978 -6.2964 -6.1535 -6.1524 1.1343 1.1409 1.1743 1.1767 1.6961 1.7009 1.7798 1.7832 2.2794 2.2810 2.3152 2.3477 2.4080 2.4194 2.4720 2.4886 2.7132 2.7319 2.7368 2.7582 2.9898 3.0110 3.1703 3.1751 3.6588 3.6680 3.8024 3.9026 3.9048 3.9346 3.9602 3.9915 4.0408 4.0926 4.1340 4.1496 4.3711 4.3917 4.4474 4.5651 4.6313 4.6476 4.7264 4.7440 4.8058 4.8400 5.1610 5.2034 5.3274 5.3845 5.5898 5.5923 5.8800 5.8955 7.3871 7.4124 7.4856 7.4973 7.5991 7.6040 7.7598 7.7838 7.9808 7.9859 10.7060 10.7076 11.7244 11.7274 k = 0.2857 0.2857-0.0000 ( 5934 PWs) bands (ev): -58.3901 -58.3901 -32.7825 -32.7825 -31.9537 -31.9537 -31.9534 -31.9534 -6.9346 -6.9343 -6.3104 -6.3086 -6.2878 -6.2865 -6.1479 -6.1468 1.1141 1.1205 1.1518 1.1543 1.6709 1.6736 1.8050 1.8106 2.2988 2.3020 2.3185 2.3457 2.4089 2.4192 2.4873 2.5074 2.7172 2.7453 2.7591 2.7820 2.9995 3.0208 3.1880 3.1923 3.6520 3.6606 3.8002 3.8983 3.8993 3.9345 3.9512 3.9834 4.0406 4.0966 4.1381 4.1504 4.3567 4.3775 4.4626 4.5812 4.6092 4.6302 4.7261 4.7387 4.8137 4.8441 5.1898 5.2285 5.2985 5.3556 5.6114 5.6148 5.8876 5.9031 7.3830 7.4085 7.4733 7.4840 7.6058 7.6138 7.7503 7.7721 7.9751 7.9801 10.6254 10.6266 11.6900 11.6928 k = 0.2738 0.2738-0.0000 ( 5934 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9536 -31.9536 -31.9534 -31.9534 -6.9587 -6.9584 -6.2993 -6.2976 -6.2777 -6.2764 -6.1429 -6.1418 1.0931 1.0992 1.1287 1.1313 1.6424 1.6441 1.8343 1.8410 2.3050 2.3222 2.3304 2.3433 2.4131 2.4226 2.5041 2.5270 2.7215 2.7517 2.7870 2.8087 3.0095 3.0307 3.2047 3.2085 3.6447 3.6531 3.7996 3.8904 3.8917 3.9345 3.9447 3.9772 4.0412 4.1011 4.1424 4.1514 4.3430 4.3635 4.4767 4.5843 4.5997 4.6120 4.7259 4.7350 4.8201 4.8465 5.2198 5.2524 5.2713 5.3264 5.6341 5.6381 5.8961 5.9115 7.3799 7.4054 7.4616 7.4715 7.6106 7.6221 7.7436 7.7623 7.9685 7.9734 10.5435 10.5442 11.6564 11.6589 k = 0.2619 0.2619-0.0000 ( 5930 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9536 -31.9536 -31.9534 -31.9534 -6.9823 -6.9820 -6.2881 -6.2863 -6.2675 -6.2662 -6.1384 -6.1373 1.0713 1.0772 1.1051 1.1077 1.6133 1.6146 1.8648 1.8721 2.3049 2.3369 2.3412 2.3430 2.4234 2.4319 2.5220 2.5473 2.7261 2.7576 2.8157 2.8364 3.0197 3.0407 3.2202 3.2236 3.6369 3.6456 3.8008 3.8780 3.8823 3.9352 3.9410 3.9737 4.0425 4.1059 4.1471 4.1526 4.3301 4.3499 4.4892 4.5631 4.5942 4.6141 4.7257 4.7327 4.8251 4.8475 5.2358 5.2484 5.2858 5.2999 5.6575 5.6620 5.9050 5.9201 7.3780 7.4032 7.4508 7.4599 7.6129 7.6283 7.7402 7.7551 7.9611 7.9659 10.4602 10.4606 11.6236 11.6258 k = 0.2500 0.2500-0.0000 ( 5942 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9536 -31.9536 -31.9533 -31.9533 -7.0053 -7.0051 -6.2767 -6.2750 -6.2572 -6.2559 -6.1345 -6.1333 1.0490 1.0546 1.0811 1.0838 1.5846 1.5855 1.8955 1.9033 2.3032 2.3371 2.3468 2.3502 2.4409 2.4483 2.5407 2.5681 2.7309 2.7633 2.8450 2.8648 3.0302 3.0510 3.2345 3.2376 3.6285 3.6380 3.8034 3.8632 3.8699 3.9369 3.9396 3.9727 4.0444 4.1111 4.1520 4.1539 4.3180 4.3366 4.4983 4.5413 4.5785 4.6288 4.7257 4.7314 4.8287 4.8473 5.2060 5.2523 5.2996 5.3154 5.6813 5.6862 5.9139 5.9287 7.3771 7.4020 7.4408 7.4491 7.6126 7.6319 7.7400 7.7508 7.9529 7.9575 10.3759 10.3759 11.5917 11.5936 k = 0.2381 0.2381-0.0000 ( 5926 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9536 -31.9536 -31.9533 -31.9533 -7.0277 -7.0275 -6.2653 -6.2635 -6.2469 -6.2456 -6.1310 -6.1299 1.0264 1.0317 1.0569 1.0596 1.5565 1.5572 1.9262 1.9342 2.3010 2.3340 2.3500 2.3525 2.4640 2.4705 2.5600 2.5892 2.7361 2.7689 2.8749 2.8936 3.0411 3.0614 3.2476 3.2504 3.6195 3.6305 3.8065 3.8480 3.8551 3.9399 3.9399 3.9742 4.0469 4.1165 4.1553 4.1572 4.3068 4.3237 4.5012 4.5197 4.5685 4.6430 4.7258 4.7310 4.8310 4.8462 5.1760 5.2268 5.3308 5.3475 5.7052 5.7104 5.9228 5.9369 7.3774 7.4016 7.4318 7.4394 7.6100 7.6325 7.7426 7.7498 7.9440 7.9484 10.2904 10.2906 11.5606 11.5622 k = 0.2262 0.2262-0.0000 ( 5928 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9535 -31.9535 -31.9533 -31.9533 -7.0495 -7.0493 -6.2539 -6.2521 -6.2367 -6.2354 -6.1280 -6.1269 1.0037 1.0087 1.0326 1.0353 1.5292 1.5297 1.9563 1.9646 2.2986 2.3306 2.3497 2.3519 2.4902 2.4963 2.5798 2.6105 2.7415 2.7745 2.9052 2.9227 3.0524 3.0721 3.2594 3.2620 3.6101 3.6228 3.8052 3.8376 3.8381 3.9412 3.9440 3.9775 4.0497 4.1221 4.1566 4.1626 4.2967 4.3112 4.4944 4.4986 4.5677 4.6565 4.7261 4.7314 4.8322 4.8446 5.1465 5.1976 5.3674 5.3813 5.7287 5.7342 5.9311 5.9446 7.3786 7.4020 7.4237 7.4305 7.6059 7.6306 7.7474 7.7516 7.9344 7.9386 10.2041 10.2046 11.5305 11.5315 k = 0.2143 0.2143-0.0000 ( 5932 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9535 -31.9535 -31.9533 -31.9533 -7.0705 -7.0703 -6.2425 -6.2407 -6.2265 -6.2253 -6.1255 -6.1244 0.9810 0.9857 1.0083 1.0110 1.5028 1.5031 1.9859 1.9943 2.2960 2.3271 2.3476 2.3497 2.5177 2.5237 2.5998 2.6316 2.7470 2.7800 2.9359 2.9519 3.0640 3.0830 3.2699 3.2724 3.6002 3.6150 3.7929 3.8196 3.8389 3.9433 3.9490 3.9826 4.0530 4.1277 4.1577 4.1681 4.2876 4.2991 4.4780 4.4802 4.5743 4.6692 4.7268 4.7323 4.8326 4.8427 5.1179 5.1682 5.4060 5.4168 5.7518 5.7576 5.9390 5.9516 7.3807 7.4027 7.4169 7.4226 7.6012 7.6269 7.7534 7.7556 7.9243 7.9283 10.1173 10.1179 11.5011 11.5017 k = 0.2024 0.2024-0.0000 ( 5924 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9535 -31.9535 -31.9533 -31.9533 -7.0907 -7.0905 -6.2312 -6.2295 -6.2165 -6.2153 -6.1233 -6.1223 0.9586 0.9630 0.9843 0.9869 1.4772 1.4775 2.0147 2.0232 2.2935 2.3234 2.3446 2.3467 2.5455 2.5515 2.6198 2.6524 2.7527 2.7854 2.9669 2.9811 3.0763 3.0943 3.2792 3.2815 3.5900 3.6070 3.7742 3.8000 3.8477 3.9463 3.9546 3.9896 4.0567 4.1332 4.1587 4.1738 4.2798 4.2874 4.4581 4.4624 4.5844 4.6805 4.7283 4.7336 4.8325 4.8409 5.0901 5.1393 5.4459 5.4538 5.7740 5.7801 5.9462 5.9579 7.3836 7.4027 7.4121 7.4156 7.5968 7.6224 7.7599 7.7608 7.9137 7.9174 10.0301 10.0309 11.4725 11.4726 k = 0.1905 0.1905-0.0000 ( 5928 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9535 -31.9534 -31.9533 -31.9533 -7.1100 -7.1099 -6.2201 -6.2184 -6.2067 -6.2055 -6.1216 -6.1206 0.9366 0.9407 0.9605 0.9632 1.4527 1.4529 2.0425 2.0511 2.2909 2.3197 2.3410 2.3433 2.5731 2.5792 2.6398 2.6727 2.7586 2.7906 2.9978 3.0102 3.0890 3.1059 3.2873 3.2895 3.5796 3.5989 3.7531 3.7795 3.8598 3.9498 3.9603 3.9984 4.0608 4.1380 4.1598 4.1794 4.2732 4.2761 4.4387 4.4433 4.5962 4.6898 4.7312 4.7353 4.8320 4.8393 5.0634 5.1111 5.4867 5.4920 5.7953 5.8018 5.9526 5.9633 7.3867 7.4001 7.4096 7.4108 7.5934 7.6181 7.7664 7.7665 7.9027 7.9062 9.9428 9.9436 11.4442 11.4446 k = 0.1786 0.1786-0.0000 ( 5934 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9534 -31.9534 -31.9533 -31.9533 -7.1284 -7.1283 -6.2093 -6.2076 -6.1971 -6.1960 -6.1201 -6.1192 0.9151 0.9189 0.9373 0.9399 1.4292 1.4293 2.0693 2.0778 2.2883 2.3159 2.3372 2.3397 2.5999 2.6062 2.6594 2.6923 2.7645 2.7956 3.0286 3.0389 3.1025 3.1179 3.2943 3.2963 3.5690 3.5905 3.7310 3.7583 3.8737 3.9540 3.9661 4.0089 4.0652 4.1413 4.1616 4.1850 4.2653 4.2681 4.4199 4.4237 4.6086 4.6963 4.7365 4.7374 4.8314 4.8382 5.0380 5.0837 5.5280 5.5311 5.8154 5.8223 5.9583 5.9679 7.3896 7.3962 7.4048 7.4115 7.5918 7.6148 7.7720 7.7726 7.8916 7.8948 9.8556 9.8565 11.4165 11.4174 k = 0.1667 0.1667-0.0000 ( 5928 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9534 -31.9534 -31.9533 -31.9533 -7.1459 -7.1458 -6.1987 -6.1972 -6.1878 -6.1868 -6.1190 -6.1181 0.8945 0.8979 0.9148 0.9172 1.4069 1.4069 2.0949 2.1033 2.2858 2.3121 2.3335 2.3360 2.6258 2.6322 2.6786 2.7110 2.7706 2.8004 3.0589 3.0671 3.1166 3.1303 3.3003 3.3021 3.5583 3.5820 3.7084 3.7367 3.8889 3.9589 3.9718 4.0209 4.0701 4.1425 4.1649 4.1904 4.2549 4.2643 4.4018 4.4043 4.6214 4.6998 4.7397 4.7444 4.8309 4.8376 5.0138 5.0574 5.5695 5.5707 5.8342 5.8415 5.9634 5.9716 7.3913 7.3923 7.4018 7.4122 7.5927 7.6134 7.7772 7.7781 7.8804 7.8834 9.7689 9.7698 11.3895 11.3910 k = 0.1548 0.1548-0.0000 ( 5924 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9534 -31.9534 -31.9533 -31.9533 -7.1623 -7.1623 -6.1886 -6.1871 -6.1789 -6.1779 -6.1181 -6.1172 0.8747 0.8778 0.8930 0.8954 1.3857 1.3858 2.1191 2.1273 2.2835 2.3082 2.3299 2.3325 2.6504 2.6569 2.6973 2.7286 2.7768 2.8050 3.0885 3.0945 3.1316 3.1432 3.3053 3.3070 3.5476 3.5732 3.6855 3.7147 3.9049 3.9645 3.9774 4.0340 4.0754 4.1414 4.1695 4.1955 4.2449 4.2617 4.3844 4.3853 4.6342 4.7010 4.7424 4.7541 4.8308 4.8377 4.9909 5.0321 5.6106 5.6109 5.8514 5.8592 5.9677 5.9746 7.3888 7.3905 7.4012 7.4122 7.5965 7.6144 7.7815 7.7826 7.8692 7.8719 9.6830 9.6838 11.3633 11.3652 k = 0.1429 0.1429-0.0000 ( 5928 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9534 -31.9534 -31.9533 -31.9533 -7.1777 -7.1777 -6.1789 -6.1775 -6.1704 -6.1694 -6.1174 -6.1166 0.8558 0.8587 0.8722 0.8745 1.3658 1.3658 2.1419 2.1498 2.2812 2.3044 2.3265 2.3291 2.6734 2.6801 2.7154 2.7449 2.7831 2.8094 3.1172 3.1211 3.1475 3.1566 3.3096 3.3110 3.5369 3.5642 3.6624 3.6923 3.9212 3.9708 3.9829 4.0478 4.0810 4.1388 4.1749 4.2002 4.2354 4.2603 4.3667 4.3676 4.6465 4.7008 4.7456 4.7649 4.8311 4.8383 4.9696 5.0080 5.6502 5.6518 5.8671 5.8754 5.9715 5.9770 7.3859 7.3884 7.4017 7.4111 7.6036 7.6184 7.7849 7.7861 7.8583 7.8607 9.5982 9.5990 11.3380 11.3404 k = 0.1310 0.1310-0.0000 ( 5926 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9533 -31.9533 -31.9533 -31.9533 -7.1920 -7.1920 -6.1697 -6.1684 -6.1624 -6.1614 -6.1169 -6.1161 0.8381 0.8408 0.8525 0.8546 1.3472 1.3472 2.1631 2.1707 2.2791 2.3006 2.3235 2.3259 2.6948 2.7016 2.7326 2.7598 2.7896 2.8135 3.1445 3.1467 3.1645 3.1706 3.3131 3.3143 3.5263 3.5549 3.6395 3.6699 3.9376 3.9781 3.9883 4.0618 4.0873 4.1352 4.1806 4.2044 4.2264 4.2598 4.3490 4.3514 4.6580 4.6996 4.7497 4.7762 4.8319 4.8394 4.9498 4.9852 5.6893 5.6918 5.8809 5.8897 5.9748 5.9788 7.3835 7.3860 7.4018 7.4090 7.6139 7.6257 7.7873 7.7885 7.8477 7.8499 9.5152 9.5158 11.3139 11.3167 k = 0.1190 0.1190-0.0000 ( 5924 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9533 -31.9533 -31.9532 -31.9532 -7.2052 -7.2052 -6.1611 -6.1600 -6.1548 -6.1540 -6.1166 -6.1158 0.8217 0.8240 0.8340 0.8360 1.3299 1.3299 2.1826 2.1898 2.2772 2.2968 2.3208 2.3230 2.7143 2.7213 2.7491 2.7731 2.7963 2.8173 3.1698 3.1711 3.1829 3.1850 3.3160 3.3170 3.5159 3.5455 3.6167 3.6474 3.9534 3.9865 3.9937 4.0754 4.0942 4.1311 4.1863 4.2077 4.2180 4.2600 4.3321 4.3358 4.6680 4.6980 4.7551 4.7876 4.8332 4.8409 4.9316 4.9638 5.7272 5.7304 5.8930 5.9022 5.9778 5.9805 7.3816 7.3840 7.4009 7.4059 7.6273 7.6363 7.7885 7.7898 7.8377 7.8397 9.4343 9.4348 11.2912 11.2942 k = 0.1071 0.1071-0.0000 ( 5924 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9533 -31.9533 -31.9532 -31.9532 -7.2173 -7.2172 -6.1531 -6.1521 -6.1479 -6.1470 -6.1164 -6.1157 0.8065 0.8086 0.8168 0.8186 1.3141 1.3141 2.2003 2.2070 2.2755 2.2932 2.3185 2.3205 2.7319 2.7387 2.7646 2.7849 2.8033 2.8208 3.1922 3.1942 3.2000 3.2036 3.3184 3.3191 3.5056 3.5358 3.5942 3.6250 3.9679 3.9964 3.9989 4.0877 4.1023 4.1267 4.1917 4.2089 4.2114 4.2605 4.3165 4.3208 4.6758 4.6961 4.7623 4.7988 4.8351 4.8428 4.9152 4.9439 5.7636 5.7671 5.9031 5.9127 5.9808 5.9821 7.3801 7.3822 7.3990 7.4022 7.6433 7.6499 7.7887 7.7899 7.8285 7.8302 9.3563 9.3567 11.2701 11.2733 k = 0.0952 0.0952-0.0000 ( 5916 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9533 -31.9533 -31.9532 -31.9532 -7.2281 -7.2281 -6.1459 -6.1450 -6.1415 -6.1407 -6.1162 -6.1156 0.7927 0.7946 0.8011 0.8028 1.2998 1.2998 2.2162 2.2224 2.2740 2.2897 2.3167 2.3185 2.7474 2.7539 2.7790 2.7952 2.8105 2.8240 3.2122 3.2152 3.2162 3.2254 3.3203 3.3207 3.4957 3.5260 3.5722 3.6027 3.9808 4.0040 4.0081 4.0980 4.1118 4.1224 4.1966 4.2027 4.2115 4.2612 4.3024 4.3064 4.6813 4.6941 4.7713 4.8095 4.8373 4.8449 4.9006 4.9258 5.7978 5.8015 5.9115 5.9211 5.9838 5.9840 7.3789 7.3809 7.3963 7.3981 7.6613 7.6659 7.7879 7.7890 7.8200 7.8216 9.2819 9.2822 11.2509 11.2542 k = 0.0833 0.0833-0.0000 ( 5918 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9533 -31.9533 -31.9532 -31.9532 -7.2377 -7.2377 -6.1393 -6.1386 -6.1357 -6.1350 -6.1162 -6.1156 0.7804 0.7820 0.7870 0.7885 1.2870 1.2870 2.2301 2.2356 2.2727 2.2865 2.3155 2.3170 2.7608 2.7665 2.7923 2.8045 2.8174 2.8270 3.2311 3.2314 3.2362 3.2466 3.3219 3.3220 3.4861 3.5161 3.5507 3.5806 3.9918 4.0089 4.0213 4.1062 4.1184 4.1221 4.1965 4.2009 4.2107 4.2618 4.2905 4.2927 4.6844 4.6920 4.7820 4.8195 4.8397 4.8470 4.8878 4.9093 5.8293 5.8330 5.9181 5.9274 5.9865 5.9870 7.3781 7.3798 7.3931 7.3938 7.6806 7.6837 7.7863 7.7873 7.8126 7.8140 9.2120 9.2122 11.2338 11.2371 k = 0.0714 0.0714-0.0000 ( 5926 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9533 -31.9533 -31.9532 -31.9532 -7.2461 -7.2461 -6.1336 -6.1330 -6.1306 -6.1299 -6.1162 -6.1157 0.7696 0.7710 0.7746 0.7759 1.2758 1.2758 2.2419 2.2466 2.2717 2.2835 2.3149 2.3160 2.7721 2.7767 2.8042 2.8131 2.8237 2.8298 3.2471 3.2502 3.2549 3.2663 3.3229 3.3232 3.4771 3.5061 3.5301 3.5590 4.0014 4.0134 4.0353 4.1131 4.1149 4.1317 4.1913 4.2044 4.2082 4.2617 4.2800 4.2812 4.6858 4.6899 4.7936 4.8285 4.8422 4.8490 4.8769 4.8948 5.8574 5.8608 5.9231 5.9317 5.9896 5.9905 7.3775 7.3789 7.3897 7.3897 7.7003 7.7023 7.7841 7.7850 7.8063 7.8075 9.1476 9.1477 11.2189 11.2222 k = 0.0595 0.0595-0.0000 ( 5932 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9532 -31.9532 -31.9532 -31.9532 -7.2533 -7.2533 -6.1287 -6.1283 -6.1262 -6.1256 -6.1162 -6.1157 0.7604 0.7616 0.7640 0.7651 1.2662 1.2662 2.2515 2.2555 2.2709 2.2807 2.3149 2.3157 2.7814 2.7846 2.8146 2.8209 2.8292 2.8323 3.2631 3.2684 3.2719 3.2840 3.3236 3.3243 3.4689 3.4961 3.5106 3.5378 4.0097 4.0177 4.0495 4.1123 4.1185 4.1393 4.1877 4.2043 4.2071 4.2585 4.2708 4.2748 4.6859 4.6880 4.8054 4.8363 4.8446 4.8508 4.8680 4.8822 5.8816 5.8845 5.9268 5.9344 5.9935 5.9944 7.3771 7.3783 7.3860 7.3864 7.7194 7.7206 7.7819 7.7826 7.8012 7.8022 9.0897 9.0898 11.2062 11.2094 k = 0.0476 0.0476-0.0000 ( 5943 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9532 -31.9532 -31.9532 -31.9532 -7.2591 -7.2591 -6.1247 -6.1245 -6.1225 -6.1219 -6.1161 -6.1158 0.7529 0.7538 0.7552 0.7561 1.2583 1.2583 2.2590 2.2621 2.2704 2.2782 2.3154 2.3159 2.7887 2.7906 2.8233 2.8277 2.8336 2.8346 3.2788 3.2855 3.2872 3.2991 3.3240 3.3253 3.4618 3.4864 3.4927 3.5176 4.0168 4.0214 4.0637 4.1108 4.1221 4.1436 4.1859 4.2007 4.2089 4.2493 4.2678 4.2708 4.6853 4.6862 4.8168 4.8426 4.8467 4.8521 4.8611 4.8717 5.9014 5.9037 5.9295 5.9357 5.9980 5.9986 7.3769 7.3778 7.3828 7.3833 7.7362 7.7369 7.7805 7.7810 7.7970 7.7979 9.0398 9.0398 11.1957 11.1987 k = 0.0357 0.0357-0.0000 ( 5963 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9532 -31.9532 -31.9532 -31.9532 -7.2637 -7.2637 -6.1217 -6.1216 -6.1195 -6.1191 -6.1161 -6.1157 0.7470 0.7476 0.7483 0.7490 1.2522 1.2522 2.2645 2.2668 2.2702 2.2761 2.3162 2.3164 2.7941 2.7949 2.8303 2.8333 2.8367 2.8368 3.2937 3.3004 3.3005 3.3113 3.3242 3.3262 3.4564 3.4771 3.4772 3.4986 4.0225 4.0247 4.0776 4.1105 4.1235 4.1432 4.1866 4.1993 4.2096 4.2379 4.2672 4.2685 4.6843 4.6847 4.8270 4.8472 4.8479 4.8527 4.8566 4.8634 5.9164 5.9180 5.9314 5.9362 6.0026 6.0029 7.3768 7.3775 7.3802 7.3807 7.7490 7.7493 7.7810 7.7814 7.7939 7.7945 8.9990 8.9990 11.1877 11.1902 k = 0.0238 0.0238-0.0000 ( 5963 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9532 -31.9532 -31.9532 -31.9532 -7.2670 -7.2670 -6.1197 -6.1197 -6.1173 -6.1170 -6.1159 -6.1156 0.7428 0.7432 0.7434 0.7438 1.2478 1.2478 2.2683 2.2698 2.2704 2.2742 2.3171 2.3172 2.7977 2.7980 2.8355 2.8374 2.8384 2.8390 3.3071 3.3113 3.3119 3.3200 3.3243 3.3271 3.4535 3.4655 3.4688 3.4816 4.0265 4.0272 4.0912 4.1116 4.1226 4.1376 4.1904 4.2005 4.2092 4.2265 4.2671 4.2675 4.6834 4.6835 4.8359 4.8479 4.8498 4.8526 4.8548 4.8575 5.9267 5.9278 5.9329 5.9361 6.0067 6.0068 7.3768 7.3772 7.3783 7.3787 7.7561 7.7562 7.7843 7.7845 7.7917 7.7921 8.9687 8.9687 11.1827 11.1848 k = 0.0119 0.0119-0.0000 ( 5983 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9532 -31.9532 -31.9532 -31.9532 -7.2689 -7.2689 -6.1187 -6.1186 -6.1159 -6.1158 -6.1156 -6.1155 0.7403 0.7405 0.7405 0.7407 1.2451 1.2451 2.2705 2.2709 2.2713 2.2727 2.3177 2.3178 2.7998 2.7998 2.8388 2.8397 2.8397 2.8401 3.3171 3.3184 3.3196 3.3244 3.3248 3.3274 3.4537 3.4590 3.4621 3.4677 4.0288 4.0289 4.1043 4.1138 4.1201 4.1283 4.1970 4.2030 4.2079 4.2157 4.2670 4.2670 4.6828 4.6828 4.8429 4.8475 4.8495 4.8514 4.8546 4.8548 5.9328 5.9332 5.9340 5.9356 6.0095 6.0095 7.3768 7.3771 7.3772 7.3775 7.7587 7.7587 7.7883 7.7884 7.7904 7.7906 8.9501 8.9501 11.1790 11.1799 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9532 -31.9532 -31.9532 -31.9532 -7.2696 -7.2696 -6.1184 -6.1184 -6.1154 -6.1154 -6.1154 -6.1154 0.7395 0.7395 0.7395 0.7395 1.2441 1.2441 2.2716 2.2716 2.2716 2.2716 2.3180 2.3180 2.8004 2.8004 2.8402 2.8402 2.8402 2.8402 3.3204 3.3204 3.3253 3.3253 3.3253 3.3253 3.4580 3.4580 3.4580 3.4580 4.0295 4.0295 4.1168 4.1168 4.1168 4.1168 4.2056 4.2056 4.2056 4.2056 4.2667 4.2667 4.6824 4.6824 4.8480 4.8480 4.8480 4.8480 4.8545 4.8545 5.9348 5.9348 5.9348 5.9348 6.0105 6.0105 7.3769 7.3769 7.3769 7.3769 7.7592 7.7592 7.7900 7.7900 7.7900 7.7900 8.9437 8.9437 11.1779 11.1779 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9532 -31.9532 -31.9532 -31.9532 -7.2696 -7.2696 -6.1184 -6.1184 -6.1154 -6.1154 -6.1154 -6.1154 0.7395 0.7395 0.7395 0.7395 1.2441 1.2441 2.2716 2.2716 2.2716 2.2716 2.3180 2.3180 2.8004 2.8004 2.8402 2.8402 2.8402 2.8402 3.3204 3.3204 3.3253 3.3253 3.3253 3.3253 3.4580 3.4580 3.4580 3.4580 4.0295 4.0295 4.1168 4.1168 4.1168 4.1168 4.2056 4.2056 4.2056 4.2056 4.2667 4.2667 4.6824 4.6824 4.8480 4.8480 4.8480 4.8480 4.8545 4.8545 5.9348 5.9348 5.9348 5.9348 6.0105 6.0105 7.3769 7.3769 7.3769 7.3769 7.7592 7.7592 7.7900 7.7900 7.7900 7.7900 8.9437 8.9437 11.1779 11.1779 k = 0.0098 0.0098 0.0098 ( 5983 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9532 -31.9532 -31.9532 -31.9532 -7.2689 -7.2689 -6.1186 -6.1186 -6.1159 -6.1157 -6.1157 -6.1156 0.7403 0.7405 0.7405 0.7407 1.2451 1.2451 2.2706 2.2710 2.2710 2.2728 2.3177 2.3177 2.7998 2.7998 2.8388 2.8397 2.8397 2.8399 3.3180 3.3180 3.3192 3.3245 3.3245 3.3271 3.4538 3.4606 3.4606 3.4679 4.0289 4.0289 4.1038 4.1170 4.1170 4.1287 4.1968 4.2053 4.2053 4.2161 4.2670 4.2670 4.6828 4.6828 4.8426 4.8486 4.8486 4.8514 4.8547 4.8547 5.9329 5.9329 5.9340 5.9357 6.0095 6.0095 7.3770 7.3771 7.3771 7.3773 7.7587 7.7587 7.7883 7.7883 7.7904 7.7907 8.9502 8.9502 11.1790 11.1805 k = 0.0196 0.0196 0.0196 ( 5965 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9532 -31.9532 -31.9532 -31.9532 -7.2669 -7.2669 -6.1195 -6.1195 -6.1169 -6.1165 -6.1165 -6.1164 0.7430 0.7434 0.7434 0.7437 1.2478 1.2478 2.2691 2.2691 2.2700 2.2743 2.3171 2.3171 2.7978 2.7978 2.8357 2.8379 2.8382 2.8382 3.3100 3.3117 3.3117 3.3217 3.3217 3.3236 3.4553 3.4671 3.4671 3.4812 4.0269 4.0269 4.0901 4.1173 4.1173 4.1378 4.1910 4.2044 4.2044 4.2274 4.2673 4.2673 4.6835 4.6835 4.8352 4.8487 4.8487 4.8528 4.8566 4.8566 5.9267 5.9267 5.9331 5.9365 6.0067 6.0067 7.3775 7.3778 7.3778 7.3782 7.7559 7.7559 7.7843 7.7843 7.7918 7.7923 8.9692 8.9692 11.1834 11.1847 k = 0.0294 0.0294 0.0294 ( 5965 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9532 -31.9532 -31.9532 -31.9532 -7.2636 -7.2636 -6.1210 -6.1210 -6.1186 -6.1178 -6.1178 -6.1178 0.7476 0.7481 0.7481 0.7487 1.2523 1.2523 2.2658 2.2658 2.2697 2.2762 2.3162 2.3162 2.7945 2.7945 2.8308 2.8341 2.8357 2.8357 3.2990 3.3025 3.3025 3.3154 3.3166 3.3166 3.4623 3.4769 3.4769 3.4970 4.0236 4.0236 4.0760 4.1175 4.1175 4.1414 4.1908 4.2027 4.2027 4.2393 4.2677 4.2677 4.6845 4.6845 4.8258 4.8465 4.8465 4.8521 4.8620 4.8620 5.9157 5.9157 5.9321 5.9373 6.0029 6.0029 7.3784 7.3788 7.3788 7.3795 7.7482 7.7482 7.7815 7.7815 7.7943 7.7950 8.9999 8.9999 11.1918 11.1924 k = 0.0392 0.0392 0.0392 ( 5947 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9532 -31.9532 -31.9532 -31.9532 -7.2589 -7.2589 -6.1230 -6.1230 -6.1208 -6.1199 -6.1196 -6.1196 0.7540 0.7547 0.7547 0.7555 1.2586 1.2586 2.2609 2.2609 2.2697 2.2783 2.3154 2.3154 2.7899 2.7899 2.8243 2.8287 2.8323 2.8323 3.2871 3.2914 3.2914 3.3037 3.3093 3.3093 3.4735 3.4891 3.4891 3.5143 4.0192 4.0192 4.0617 4.1175 4.1175 4.1387 4.1975 4.2006 4.2006 4.2516 4.2686 4.2686 4.6857 4.6857 4.8148 4.8429 4.8429 4.8496 4.8706 4.8706 5.8993 5.8993 5.9310 5.9379 5.9988 5.9988 7.3798 7.3803 7.3803 7.3812 7.7343 7.7343 7.7820 7.7820 7.7977 7.7986 9.0411 9.0411 11.2022 11.2030 k = 0.0490 0.0490 0.0490 ( 5941 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9532 -31.9532 -31.9532 -31.9532 -7.2530 -7.2530 -6.1257 -6.1257 -6.1237 -6.1225 -6.1219 -6.1219 0.7622 0.7631 0.7631 0.7641 1.2666 1.2666 2.2539 2.2539 2.2700 2.2808 2.3150 2.3150 2.7837 2.7837 2.8160 2.8214 2.8279 2.8279 3.2748 3.2790 3.2790 3.2900 3.2998 3.2998 3.4876 3.5029 3.5029 3.5325 4.0139 4.0139 4.0473 4.1171 4.1171 4.1319 4.1979 4.1979 4.2084 4.2642 4.2699 4.2699 4.6868 4.6868 4.8023 4.8385 4.8385 4.8455 4.8819 4.8819 5.8773 5.8773 5.9296 5.9383 5.9948 5.9948 7.3816 7.3822 7.3822 7.3833 7.7160 7.7160 7.7851 7.7851 7.8020 7.8030 9.0914 9.0914 11.2159 11.2164 k = 0.0588 0.0588 0.0588 ( 5938 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9532 -31.9532 -31.9532 -31.9532 -7.2457 -7.2457 -6.1289 -6.1289 -6.1272 -6.1257 -6.1247 -6.1247 0.7722 0.7732 0.7732 0.7744 1.2762 1.2762 2.2448 2.2448 2.2706 2.2835 2.3150 2.3150 2.7761 2.7761 2.8060 2.8123 2.8228 2.8228 3.2625 3.2659 3.2659 3.2752 3.2882 3.2882 3.5037 3.5179 3.5179 3.5514 4.0078 4.0078 4.0328 4.1158 4.1158 4.1233 4.1950 4.1950 4.2214 4.2720 4.2720 4.2771 4.6878 4.6878 4.7887 4.8336 4.8336 4.8400 4.8958 4.8958 5.8499 5.8499 5.9279 5.9384 5.9911 5.9911 7.3839 7.3844 7.3844 7.3859 7.6952 7.6952 7.7897 7.7897 7.8070 7.8081 9.1493 9.1493 11.2318 11.2326 k = 0.0686 0.0686 0.0686 ( 5920 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9532 -31.9532 -31.9532 -31.9532 -7.2372 -7.2372 -6.1327 -6.1327 -6.1312 -6.1295 -6.1278 -6.1278 0.7839 0.7850 0.7850 0.7865 1.2875 1.2875 2.2335 2.2335 2.2716 2.2864 2.3156 2.3156 2.7669 2.7669 2.7943 2.8015 2.8170 2.8170 3.2502 3.2523 3.2523 3.2599 3.2745 3.2745 3.5212 3.5336 3.5336 3.5708 4.0011 4.0011 4.0183 4.1137 4.1137 4.1140 4.1919 4.1919 4.2354 4.2748 4.2748 4.2902 4.6884 4.6884 4.7744 4.8286 4.8286 4.8336 4.9123 4.9123 5.8176 5.8176 5.9258 5.9381 5.9875 5.9875 7.3866 7.3871 7.3871 7.3889 7.6732 7.6732 7.7954 7.7954 7.8127 7.8138 9.2135 9.2135 11.2510 11.2512 k = 0.0784 0.0784 0.0784 ( 5926 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9533 -31.9533 -31.9533 -31.9533 -7.2274 -7.2274 -6.1371 -6.1371 -6.1357 -6.1338 -6.1314 -6.1314 0.7971 0.7983 0.7983 0.8001 1.3003 1.3003 2.2200 2.2200 2.2728 2.2897 2.3167 2.3167 2.7560 2.7560 2.7810 2.7890 2.8106 2.8106 3.2381 3.2385 3.2385 3.2445 3.2590 3.2590 3.5397 3.5498 3.5498 3.5902 3.9937 3.9937 4.0038 4.1045 4.1107 4.1107 4.1885 4.1885 4.2499 4.2786 4.2786 4.3034 4.6886 4.6886 4.7596 4.8237 4.8237 4.8263 4.9312 4.9312 5.7809 5.7809 5.9232 5.9374 5.9839 5.9839 7.3898 7.3902 7.3902 7.3923 7.6510 7.6510 7.8020 7.8020 7.8189 7.8201 9.2824 9.2824 11.2705 11.2724 k = 0.0882 0.0882 0.0882 ( 5926 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9533 -31.9533 -31.9533 -31.9533 -7.2164 -7.2164 -6.1420 -6.1420 -6.1408 -6.1386 -6.1355 -6.1355 0.8118 0.8132 0.8132 0.8152 1.3145 1.3145 2.2046 2.2046 2.2742 2.2931 2.3183 2.3183 2.7437 2.7437 2.7662 2.7747 2.8036 2.8036 3.2244 3.2244 3.2263 3.2292 3.2418 3.2418 3.5590 3.5662 3.5662 3.6098 3.9860 3.9860 3.9894 4.0950 4.1066 4.1066 4.1850 4.1850 4.2649 4.2833 4.2833 4.3167 4.6882 4.6882 4.7447 4.8187 4.8192 4.8192 4.9524 4.9524 5.7405 5.7405 5.9200 5.9360 5.9800 5.9800 7.3934 7.3936 7.3936 7.3961 7.6293 7.6293 7.8091 7.8091 7.8256 7.8267 9.3549 9.3549 11.2916 11.2960 k = 0.0980 0.0980 0.0980 ( 5932 PWs) bands (ev): -58.3901 -58.3901 -32.7822 -32.7822 -31.9533 -31.9533 -31.9533 -31.9533 -7.2041 -7.2041 -6.1474 -6.1474 -6.1463 -6.1440 -6.1398 -6.1398 0.8279 0.8294 0.8294 0.8316 1.3301 1.3301 2.1871 2.1871 2.2760 2.2968 2.3203 2.3203 2.7297 2.7297 2.7499 2.7589 2.7962 2.7962 3.2092 3.2092 3.2143 3.2148 3.2238 3.2238 3.5789 3.5828 3.5828 3.6293 3.9751 3.9780 3.9780 4.0856 4.1018 4.1018 4.1815 4.1815 4.2800 4.2890 4.2890 4.3301 4.6874 4.6874 4.7302 4.8110 4.8153 4.8153 4.9759 4.9759 5.6969 5.6969 5.9161 5.9339 5.9757 5.9757 7.3975 7.3975 7.3975 7.4003 7.6087 7.6087 7.8167 7.8167 7.8326 7.8335 9.4299 9.4299 11.3140 11.3216 k = 0.1078 0.1078 0.1078 ( 5932 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9533 -31.9533 -31.9533 -31.9533 -7.1907 -7.1907 -6.1532 -6.1532 -6.1523 -6.1498 -6.1446 -6.1446 0.8452 0.8468 0.8468 0.8493 1.3469 1.3469 2.1677 2.1677 2.2780 2.3007 2.3226 2.3226 2.7143 2.7143 2.7323 2.7416 2.7883 2.7883 3.1913 3.1913 3.1997 3.2037 3.2070 3.2070 3.5992 3.5994 3.5994 3.6487 3.9611 3.9698 3.9698 4.0766 4.0963 4.0963 4.1780 4.1780 4.2952 4.2957 4.2957 4.3435 4.6863 4.6863 4.7162 4.8035 4.8119 4.8119 5.0015 5.0015 5.6506 5.6506 5.9116 5.9311 5.9709 5.9709 7.4016 7.4016 7.4020 7.4049 7.5897 7.5897 7.8246 7.8246 7.8399 7.8406 9.5063 9.5063 11.3372 11.3473 k = 0.1176 0.1176 0.1176 ( 5920 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9533 -31.9533 -31.9533 -31.9533 -7.1761 -7.1761 -6.1596 -6.1596 -6.1587 -6.1560 -6.1497 -6.1497 0.8635 0.8653 0.8653 0.8681 1.3648 1.3648 2.1466 2.1466 2.2803 2.3048 2.3253 2.3253 2.6976 2.6976 2.7135 2.7229 2.7801 2.7801 3.1695 3.1695 3.1857 3.1926 3.1926 3.1928 3.6158 3.6158 3.6198 3.6678 3.9474 3.9615 3.9615 4.0681 4.0905 4.0905 4.1744 4.1744 4.3033 4.3033 4.3105 4.3569 4.6850 4.6850 4.7033 4.7965 4.8091 4.8091 5.0290 5.0290 5.6023 5.6023 5.9063 5.9275 5.9655 5.9655 7.4061 7.4061 7.4070 7.4098 7.5725 7.5725 7.8328 7.8328 7.8474 7.8478 9.5831 9.5831 11.3611 11.3716 k = 0.1275 0.1275 0.1275 ( 5923 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9533 -31.9533 -31.9533 -31.9533 -7.1605 -7.1605 -6.1663 -6.1663 -6.1656 -6.1627 -6.1551 -6.1551 0.8828 0.8846 0.8846 0.8878 1.3837 1.3837 2.1237 2.1237 2.2827 2.3090 2.3283 2.3283 2.6796 2.6796 2.6937 2.7030 2.7716 2.7716 3.1449 3.1449 3.1721 3.1798 3.1798 3.1822 3.6319 3.6319 3.6406 3.6864 3.9343 3.9532 3.9532 4.0601 4.0844 4.0844 4.1708 4.1708 4.3117 4.3117 4.3258 4.3703 4.6838 4.6838 4.6915 4.7902 4.8066 4.8066 5.0583 5.0583 5.5522 5.5522 5.9003 5.9232 5.9596 5.9596 7.4109 7.4109 7.4124 7.4151 7.5574 7.5574 7.8413 7.8413 7.8550 7.8551 9.6595 9.6595 11.3852 11.3935 k = 0.1373 0.1373 0.1373 ( 5935 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9533 -31.9533 -31.9533 -31.9533 -7.1437 -7.1437 -6.1734 -6.1734 -6.1728 -6.1697 -6.1608 -6.1608 0.9028 0.9048 0.9048 0.9083 1.4034 1.4034 2.0992 2.0992 2.2854 2.3133 2.3314 2.3314 2.6607 2.6607 2.6732 2.6821 2.7627 2.7627 3.1183 3.1183 3.1590 3.1679 3.1679 3.1718 3.6475 3.6475 3.6613 3.7045 3.9218 3.9451 3.9451 4.0527 4.0784 4.0784 4.1672 4.1672 4.3209 4.3209 4.3409 4.3835 4.6813 4.6829 4.6829 4.7848 4.8045 4.8045 5.0893 5.0893 5.5009 5.5009 5.8936 5.9180 5.9530 5.9530 7.4160 7.4160 7.4181 7.4207 7.5446 7.5446 7.8499 7.8499 7.8624 7.8628 9.7345 9.7345 11.4099 11.4173 k = 0.1471 0.1471 0.1471 ( 5941 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9534 -31.9534 -31.9534 -31.9534 -7.1260 -7.1260 -6.1809 -6.1809 -6.1803 -6.1771 -6.1668 -6.1668 0.9234 0.9254 0.9254 0.9293 1.4236 1.4236 2.0733 2.0733 2.2881 2.3176 2.3346 2.3346 2.6411 2.6411 2.6520 2.6605 2.7536 2.7536 3.0901 3.0901 3.1464 3.1567 3.1567 3.1617 3.6624 3.6624 3.6819 3.7219 3.9101 3.9373 3.9373 4.0463 4.0725 4.0725 4.1637 4.1637 4.3308 4.3308 4.3559 4.3966 4.6727 4.6824 4.6824 4.7805 4.8024 4.8024 5.1218 5.1218 5.4487 5.4487 5.8862 5.9121 5.9459 5.9459 7.4212 7.4212 7.4242 7.4266 7.5343 7.5343 7.8586 7.8586 7.8697 7.8707 9.8075 9.8075 11.4345 11.4411 k = 0.1569 0.1569 0.1569 ( 5935 PWs) bands (ev): -58.3901 -58.3901 -32.7823 -32.7823 -31.9534 -31.9534 -31.9534 -31.9534 -7.1072 -7.1072 -6.1886 -6.1886 -6.1881 -6.1848 -6.1730 -6.1730 0.9443 0.9464 0.9464 0.9506 1.4441 1.4441 2.0460 2.0460 2.2910 2.3220 2.3378 2.3378 2.6211 2.6211 2.6307 2.6385 2.7443 2.7443 3.0608 3.0608 3.1342 3.1460 3.1460 3.1517 3.6766 3.6766 3.7021 3.7385 3.8994 3.9300 3.9300 4.0410 4.0671 4.0671 4.1603 4.1603 4.3415 4.3415 4.3704 4.4095 4.6661 4.6825 4.6825 4.7775 4.8002 4.8002 5.1557 5.1557 5.3963 5.3963 5.8783 5.9056 5.9382 5.9382 7.4266 7.4266 7.4306 7.4327 7.5265 7.5265 7.8676 7.8676 7.8772 7.8787 9.8778 9.8778 11.4585 11.4640 k = 0.1667 0.1667 0.1667 ( 5953 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9534 -31.9534 -31.9534 -31.9534 -7.0876 -7.0876 -6.1966 -6.1966 -6.1962 -6.1928 -6.1794 -6.1794 0.9653 0.9675 0.9675 0.9721 1.4647 1.4647 2.0176 2.0176 2.2939 2.3262 2.3410 2.3410 2.6010 2.6010 2.6093 2.6165 2.7348 2.7348 3.0306 3.0306 3.1225 3.1357 3.1357 3.1418 3.6898 3.6898 3.7217 3.7541 3.8900 3.9231 3.9231 4.0367 4.0621 4.0621 4.1569 4.1569 4.3527 4.3527 4.3845 4.4222 4.6616 4.6834 4.6834 4.7759 4.7976 4.7976 5.1909 5.1909 5.3438 5.3438 5.8698 5.8983 5.9301 5.9301 7.4322 7.4322 7.4372 7.4389 7.5213 7.5213 7.8767 7.8767 7.8847 7.8868 9.9447 9.9447 11.4832 11.4886 k = 0.1765 0.1765 0.1765 ( 5923 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9534 -31.9534 -31.9534 -31.9534 -7.0671 -7.0671 -6.2049 -6.2049 -6.2045 -6.2010 -6.1860 -6.1860 0.9861 0.9884 0.9884 0.9934 1.4851 1.4851 1.9883 1.9883 2.2969 2.3304 2.3441 2.3441 2.5812 2.5812 2.5883 2.5947 2.7253 2.7253 2.9998 2.9998 3.1111 3.1258 3.1258 3.1321 3.7020 3.7020 3.7403 3.7687 3.8823 3.9172 3.9172 4.0338 4.0578 4.0578 4.1538 4.1538 4.3645 4.3645 4.3981 4.4347 4.6594 4.6851 4.6851 4.7757 4.7946 4.7946 5.2272 5.2272 5.2919 5.2919 5.8610 5.8906 5.9217 5.9217 7.4379 7.4379 7.4440 7.4453 7.5187 7.5187 7.8860 7.8860 7.8923 7.8952 10.0078 10.0078 11.5067 11.5107 k = 0.1863 0.1863 0.1863 ( 5929 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9534 -31.9534 -31.9534 -31.9534 -7.0457 -7.0457 -6.2133 -6.2133 -6.2130 -6.2094 -6.1928 -6.1928 1.0066 1.0090 1.0090 1.0143 1.5047 1.5047 1.9584 1.9584 2.2997 2.3342 2.3468 2.3468 2.5622 2.5622 2.5680 2.5736 2.7156 2.7156 2.9688 2.9688 3.1001 3.1163 3.1163 3.1224 3.7129 3.7129 3.7572 3.7821 3.8768 3.9121 3.9121 4.0321 4.0540 4.0540 4.1507 4.1507 4.3768 4.3768 4.4107 4.4468 4.6596 4.6876 4.6876 4.7769 4.7907 4.7907 5.2404 5.2404 5.2648 5.2648 5.8519 5.8824 5.9130 5.9130 7.4437 7.4437 7.4509 7.4518 7.5187 7.5187 7.8955 7.8955 7.9001 7.9037 10.0668 10.0668 11.5304 11.5327 k = 0.1961 0.1961 0.1961 ( 5923 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9535 -31.9535 -31.9535 -31.9535 -7.0236 -7.0236 -6.2219 -6.2219 -6.2216 -6.2179 -6.1997 -6.1997 1.0264 1.0289 1.0289 1.0347 1.5231 1.5231 1.9283 1.9283 2.3023 2.3376 2.3491 2.3491 2.5444 2.5444 2.5488 2.5537 2.7058 2.7058 2.9378 2.9378 3.0893 3.1070 3.1070 3.1127 3.7224 3.7224 3.7719 3.7944 3.8741 3.9079 3.9079 4.0319 4.0508 4.0508 4.1477 4.1477 4.3895 4.3895 4.4225 4.4586 4.6623 4.6909 4.6909 4.7797 4.7860 4.7860 5.1907 5.1907 5.3029 5.3029 5.8428 5.8741 5.9043 5.9043 7.4497 7.4497 7.4579 7.4582 7.5211 7.5211 7.9053 7.9053 7.9082 7.9126 10.1214 10.1214 11.5524 11.5536 k = 0.2059 0.2059 0.2059 ( 5914 PWs) bands (ev): -58.3900 -58.3900 -32.7824 -32.7824 -31.9535 -31.9535 -31.9535 -31.9535 -7.0009 -7.0009 -6.2306 -6.2306 -6.2304 -6.2266 -6.2067 -6.2067 1.0454 1.0479 1.0479 1.0541 1.5396 1.5396 1.8984 1.8984 2.3047 2.3405 2.3507 2.3507 2.5283 2.5283 2.5310 2.5354 2.6961 2.6961 2.9074 2.9074 3.0787 3.0979 3.0979 3.1031 3.7306 3.7306 3.7834 3.8055 3.8752 3.9049 3.9049 4.0330 4.0483 4.0483 4.1450 4.1450 4.4025 4.4025 4.4331 4.4699 4.6674 4.6948 4.6948 4.7801 4.7801 4.7840 5.1425 5.1425 5.3420 5.3420 5.8338 5.8656 5.8957 5.8957 7.4558 7.4558 7.4646 7.4649 7.5260 7.5260 7.9155 7.9155 7.9166 7.9219 10.1714 10.1714 11.5734 11.5737 k = 0.2157 0.2157 0.2157 ( 5926 PWs) bands (ev): -58.3900 -58.3900 -32.7824 -32.7824 -31.9535 -31.9535 -31.9535 -31.9535 -6.9775 -6.9775 -6.2395 -6.2395 -6.2392 -6.2354 -6.2138 -6.2138 1.0631 1.0657 1.0657 1.0723 1.5534 1.5534 1.8693 1.8693 2.3067 2.3425 2.3514 2.3514 2.5144 2.5144 2.5151 2.5192 2.6863 2.6863 2.8779 2.8779 3.0684 3.0891 3.0891 3.0934 3.7374 3.7374 3.7912 3.8155 3.8803 3.9029 3.9029 4.0353 4.0463 4.0463 4.1423 4.1423 4.4156 4.4156 4.4426 4.4807 4.6750 4.6991 4.6991 4.7729 4.7729 4.7898 5.0966 5.0966 5.3816 5.3816 5.8251 5.8573 5.8873 5.8873 7.4621 7.4621 7.4709 7.4718 7.5332 7.5332 7.9254 7.9260 7.9260 7.9315 10.2169 10.2169 11.5916 11.5924 k = 0.2255 0.2255 0.2255 ( 5926 PWs) bands (ev): -58.3900 -58.3900 -32.7825 -32.7825 -31.9535 -31.9535 -31.9535 -31.9535 -6.9535 -6.9535 -6.2483 -6.2483 -6.2480 -6.2442 -6.2210 -6.2210 1.0795 1.0821 1.0821 1.0891 1.5634 1.5634 1.8420 1.8420 2.3082 2.3438 2.3512 2.3512 2.5015 2.5031 2.5031 2.5055 2.6766 2.6766 2.8496 2.8496 3.0583 3.0804 3.0804 3.0838 3.7431 3.7431 3.7958 3.8248 3.8892 3.9020 3.9020 4.0386 4.0449 4.0449 4.1398 4.1398 4.4288 4.4288 4.4509 4.4910 4.6847 4.7030 4.7030 4.7648 4.7648 4.7968 5.0535 5.0535 5.4218 5.4218 5.8170 5.8493 5.8795 5.8795 7.4684 7.4684 7.4769 7.4786 7.5427 7.5427 7.9346 7.9369 7.9369 7.9416 10.2578 10.2578 11.6067 11.6091 k = 0.2353 0.2353 0.2353 ( 5923 PWs) bands (ev): -58.3900 -58.3900 -32.7825 -32.7825 -31.9536 -31.9536 -31.9536 -31.9536 -6.9291 -6.9291 -6.2572 -6.2572 -6.2569 -6.2530 -6.2281 -6.2281 1.0942 1.0968 1.0968 1.1041 1.5683 1.5683 1.8175 1.8175 2.3093 2.3442 2.3501 2.3501 2.4902 2.4946 2.4946 2.4946 2.6669 2.6669 2.8232 2.8232 3.0483 3.0719 3.0719 3.0742 3.7476 3.7476 3.7982 3.8333 3.9007 3.9021 3.9021 4.0428 4.0440 4.0440 4.1375 4.1375 4.4417 4.4417 4.4581 4.5006 4.6964 4.7049 4.7049 4.7568 4.7568 4.8052 5.0139 5.0139 5.4624 5.4624 5.8097 5.8419 5.8724 5.8724 7.4748 7.4748 7.4828 7.4851 7.5545 7.5545 7.9443 7.9482 7.9482 7.9522 10.2943 10.2943 11.6189 11.6227 k = 0.2451 0.2451 0.2451 ( 5923 PWs) bands (ev): -58.3900 -58.3900 -32.7825 -32.7825 -31.9536 -31.9536 -31.9536 -31.9536 -6.9044 -6.9044 -6.2660 -6.2660 -6.2658 -6.2619 -6.2353 -6.2353 1.1070 1.1096 1.1096 1.1173 1.5667 1.5667 1.7969 1.7969 2.3101 2.3438 2.3483 2.3483 2.4817 2.4866 2.4889 2.4889 2.6574 2.6574 2.7989 2.7989 3.0385 3.0636 3.0636 3.0646 3.7513 3.7513 3.7996 3.8413 3.9029 3.9029 3.9136 4.0434 4.0434 4.0477 4.1353 4.1353 4.4544 4.4544 4.4642 4.5096 4.7016 4.7016 4.7097 4.7517 4.7517 4.8145 4.9783 4.9783 5.5033 5.5033 5.8036 5.8354 5.8664 5.8664 7.4811 7.4811 7.4884 7.4914 7.5684 7.5684 7.9545 7.9600 7.9600 7.9633 10.3267 10.3267 11.6263 11.6310 k = 0.2549 0.2549 0.2549 ( 5917 PWs) bands (ev): -58.3900 -58.3900 -32.7825 -32.7825 -31.9536 -31.9536 -31.9536 -31.9536 -6.8793 -6.8793 -6.2748 -6.2748 -6.2745 -6.2707 -6.2425 -6.2425 1.1177 1.1203 1.1203 1.1283 1.5578 1.5578 1.7809 1.7809 2.3106 2.3429 2.3462 2.3462 2.4757 2.4815 2.4859 2.4859 2.6480 2.6480 2.7773 2.7773 3.0290 3.0551 3.0554 3.0554 3.7542 3.7542 3.8008 3.8490 3.9045 3.9045 3.9271 4.0431 4.0431 4.0529 4.1332 4.1332 4.4665 4.4665 4.4695 4.5179 4.6902 4.6902 4.7240 4.7518 4.7518 4.8247 4.9471 4.9471 5.5444 5.5444 5.7989 5.8301 5.8617 5.8617 7.4872 7.4872 7.4938 7.4975 7.5846 7.5846 7.9652 7.9722 7.9722 7.9749 10.3550 10.3550 11.6288 11.6349 k = 0.2647 0.2647 0.2647 ( 5911 PWs) bands (ev): -58.3900 -58.3900 -32.7825 -32.7825 -31.9536 -31.9536 -31.9536 -31.9536 -6.8539 -6.8539 -6.2835 -6.2835 -6.2832 -6.2794 -6.2496 -6.2496 1.1263 1.1288 1.1288 1.1371 1.5417 1.5417 1.7693 1.7693 2.3112 2.3420 2.3443 2.3443 2.4723 2.4790 2.4852 2.4852 2.6389 2.6389 2.7586 2.7586 3.0196 3.0456 3.0472 3.0472 3.7567 3.7567 3.8023 3.8566 3.9065 3.9065 3.9406 4.0431 4.0431 4.0584 4.1313 4.1313 4.4739 4.4780 4.4780 4.5255 4.6717 4.6717 4.7390 4.7559 4.7559 4.8353 4.9208 4.9208 5.5854 5.5854 5.7960 5.8263 5.8586 5.8586 7.4931 7.4931 7.4989 7.5032 7.6030 7.6030 7.9765 7.9848 7.9848 7.9869 10.3797 10.3797 11.6245 11.6311 k = 0.2745 0.2745 0.2745 ( 5911 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9536 -31.9536 -31.9536 -31.9536 -6.8285 -6.8285 -6.2921 -6.2921 -6.2918 -6.2880 -6.2566 -6.2566 1.1325 1.1349 1.1349 1.1435 1.5196 1.5196 1.7608 1.7608 2.3121 2.3415 2.3431 2.3431 2.4712 2.4786 2.4863 2.4863 2.6301 2.6301 2.7432 2.7432 3.0103 3.0361 3.0392 3.0392 3.7590 3.7590 3.8044 3.8643 3.9090 3.9090 3.9537 4.0431 4.0431 4.0638 4.1295 4.1295 4.4776 4.4887 4.4887 4.5323 4.6487 4.6487 4.7540 4.7613 4.7613 4.8460 4.8990 4.8990 5.6263 5.6263 5.7952 5.8244 5.8574 5.8574 7.4988 7.4988 7.5038 7.5086 7.6234 7.6234 7.9882 7.9977 7.9977 7.9994 10.4009 10.4009 11.6127 11.6201 k = 0.2843 0.2843 0.2843 ( 5911 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9537 -31.9537 -31.9537 -31.9537 -6.8030 -6.8030 -6.3005 -6.3005 -6.3002 -6.2964 -6.2636 -6.2636 1.1365 1.1388 1.1388 1.1476 1.4929 1.4929 1.7536 1.7536 2.3137 2.3419 2.3429 2.3429 2.4720 2.4798 2.4889 2.4889 2.6216 2.6216 2.7314 2.7314 3.0013 3.0268 3.0314 3.0314 3.7611 3.7611 3.8071 3.8722 3.9117 3.9117 3.9664 4.0433 4.0433 4.0692 4.1278 4.1278 4.4808 4.4985 4.4985 4.5384 4.6230 4.6230 4.7663 4.7663 4.7686 4.8565 4.8819 4.8819 5.6670 5.6670 5.7967 5.8246 5.8584 5.8584 7.5042 7.5042 7.5083 7.5138 7.6458 7.6458 8.0004 8.0109 8.0109 8.0122 10.4189 10.4189 11.5927 11.6000 k = 0.2941 0.2941 0.2941 ( 5914 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9537 -31.9537 -31.9537 -31.9537 -6.7776 -6.7776 -6.3088 -6.3088 -6.3084 -6.3047 -6.2704 -6.2704 1.1382 1.1403 1.1403 1.1492 1.4632 1.4632 1.7464 1.7464 2.3162 2.3436 2.3442 2.3442 2.4746 2.4824 2.4925 2.4925 2.6136 2.6136 2.7232 2.7232 2.9925 3.0175 3.0236 3.0236 3.7632 3.7632 3.8108 3.8804 3.9147 3.9147 3.9785 4.0433 4.0433 4.0744 4.1261 4.1261 4.4834 4.5074 4.5074 4.5437 4.5960 4.5960 4.7694 4.7694 4.7823 4.8663 4.8692 4.8692 5.7071 5.7071 5.8011 5.8274 5.8621 5.8621 7.5093 7.5093 7.5127 7.5186 7.6699 7.6699 8.0128 8.0243 8.0243 8.0253 10.4339 10.4339 11.5636 11.5715 k = 0.3039 0.3039 0.3039 ( 5908 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9537 -31.9537 -31.9537 -31.9537 -6.7523 -6.7523 -6.3169 -6.3169 -6.3164 -6.3128 -6.2771 -6.2771 1.1377 1.1397 1.1397 1.1487 1.4316 1.4316 1.7382 1.7382 2.3197 2.3468 2.3469 2.3469 2.4784 2.4858 2.4969 2.4969 2.6062 2.6062 2.7186 2.7186 2.9839 3.0084 3.0161 3.0161 3.7653 3.7653 3.8154 3.8890 3.9180 3.9180 3.9900 4.0434 4.0434 4.0793 4.1245 4.1245 4.4857 4.5152 4.5152 4.5484 4.5689 4.5689 4.7694 4.7694 4.7948 4.8609 4.8609 4.8750 5.7465 5.7465 5.8083 5.8329 5.8686 5.8686 7.5143 7.5143 7.5170 7.5232 7.6957 7.6957 8.0256 8.0378 8.0378 8.0385 10.4462 10.4462 11.5253 11.5331 k = 0.3137 0.3137 0.3137 ( 5914 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9537 -31.9537 -31.9537 -31.9537 -6.7272 -6.7272 -6.3247 -6.3247 -6.3241 -6.3206 -6.2837 -6.2837 1.1352 1.1370 1.1370 1.1460 1.3990 1.3990 1.7283 1.7283 2.3244 2.3513 2.3513 2.3515 2.4834 2.4899 2.5018 2.5018 2.5992 2.5992 2.7177 2.7177 2.9756 2.9994 3.0087 3.0087 3.7675 3.7675 3.8209 3.8979 3.9213 3.9213 4.0008 4.0433 4.0433 4.0838 4.1227 4.1227 4.4876 4.5209 4.5209 4.5434 4.5434 4.5524 4.7657 4.7657 4.8056 4.8566 4.8566 4.8823 5.7848 5.7848 5.8187 5.8414 5.8784 5.8784 7.5191 7.5191 7.5211 7.5276 7.7229 7.7229 8.0384 8.0512 8.0512 8.0517 10.4561 10.4561 11.4781 11.4857 k = 0.3235 0.3235 0.3235 ( 5920 PWs) bands (ev): -58.3900 -58.3900 -32.7827 -32.7827 -31.9538 -31.9538 -31.9538 -31.9538 -6.7025 -6.7025 -6.3322 -6.3322 -6.3316 -6.3282 -6.2902 -6.2902 1.1310 1.1325 1.1325 1.1415 1.3661 1.3661 1.7166 1.7166 2.3303 2.3572 2.3572 2.3577 2.4892 2.4943 2.5070 2.5070 2.5927 2.5927 2.7202 2.7202 2.9676 2.9906 3.0014 3.0014 3.7698 3.7698 3.8273 3.9071 3.9248 3.9248 4.0109 4.0429 4.0429 4.0880 4.1209 4.1209 4.4892 4.5121 4.5121 4.5329 4.5329 4.5557 4.7587 4.7587 4.8145 4.8552 4.8552 4.8878 5.8218 5.8218 5.8323 5.8531 5.8919 5.8919 7.5239 7.5239 7.5252 7.5320 7.7513 7.7513 8.0513 8.0645 8.0645 8.0648 10.4638 10.4638 11.4226 11.4302 k = 0.3333 0.3333 0.3333 ( 5926 PWs) bands (ev): -58.3900 -58.3900 -32.7827 -32.7827 -31.9538 -31.9538 -31.9538 -31.9538 -6.6782 -6.6782 -6.3395 -6.3395 -6.3389 -6.3356 -6.2965 -6.2965 1.1251 1.1263 1.1263 1.1353 1.3333 1.3333 1.7030 1.7030 2.3373 2.3645 2.3645 2.3654 2.4956 2.4990 2.5123 2.5123 2.5868 2.5868 2.7258 2.7258 2.9599 2.9820 2.9944 2.9944 3.7722 3.7722 3.8347 3.9168 3.9283 3.9283 4.0203 4.0424 4.0424 4.0917 4.1190 4.1190 4.4897 4.4897 4.4905 4.5369 4.5369 4.5584 4.7492 4.7492 4.8214 4.8553 4.8553 4.8914 5.8491 5.8566 5.8566 5.8679 5.9095 5.9095 7.5286 7.5286 7.5293 7.5362 7.7808 7.7808 8.0639 8.0774 8.0774 8.0777 10.4695 10.4695 11.3600 11.3676 k = 0.3431 0.3431 0.3431 ( 5920 PWs) bands (ev): -58.3900 -58.3900 -32.7827 -32.7827 -31.9538 -31.9538 -31.9538 -31.9538 -6.6544 -6.6544 -6.3465 -6.3465 -6.3458 -6.3426 -6.3027 -6.3027 1.1179 1.1189 1.1189 1.1277 1.3009 1.3009 1.6878 1.6878 2.3452 2.3730 2.3730 2.3743 2.5025 2.5037 2.5175 2.5175 2.5815 2.5815 2.7341 2.7341 2.9526 2.9737 2.9877 2.9877 3.7746 3.7746 3.8429 3.9267 3.9320 3.9320 4.0291 4.0416 4.0416 4.0950 4.1169 4.1169 4.4679 4.4679 4.4917 4.5416 4.5416 4.5606 4.7382 4.7382 4.8261 4.8555 4.8555 4.8928 5.8690 5.8859 5.8886 5.8886 5.9319 5.9319 7.5334 7.5334 7.5336 7.5405 7.8111 7.8111 8.0763 8.0900 8.0900 8.0901 10.4733 10.4733 11.2917 11.2990 k = 0.3529 0.3529 0.3529 ( 5920 PWs) bands (ev): -58.3900 -58.3900 -32.7827 -32.7827 -31.9538 -31.9538 -31.9538 -31.9538 -6.6312 -6.6312 -6.3532 -6.3532 -6.3523 -6.3493 -6.3087 -6.3087 1.1097 1.1104 1.1104 1.1190 1.2694 1.2694 1.6713 1.6713 2.3540 2.3824 2.3824 2.3842 2.5083 2.5095 2.5224 2.5224 2.5769 2.5769 2.7448 2.7448 2.9456 2.9657 2.9813 2.9813 3.7770 3.7770 3.8519 3.9358 3.9358 3.9369 4.0372 4.0405 4.0405 4.0979 4.1147 4.1147 4.4482 4.4482 4.4928 4.5458 4.5458 4.5622 4.7261 4.7261 4.8286 4.8552 4.8552 4.8921 5.8917 5.9066 5.9178 5.9178 5.9586 5.9586 7.5380 7.5383 7.5383 7.5449 7.8419 7.8419 8.0882 8.1019 8.1019 8.1019 10.4756 10.4756 11.2190 11.2261 k = 0.3627 0.3627 0.3627 ( 5914 PWs) bands (ev): -58.3900 -58.3900 -32.7827 -32.7827 -31.9538 -31.9538 -31.9538 -31.9538 -6.6088 -6.6088 -6.3595 -6.3595 -6.3586 -6.3557 -6.3146 -6.3146 1.1007 1.1010 1.1010 1.1095 1.2388 1.2388 1.6538 1.6538 2.3634 2.3926 2.3926 2.3950 2.5128 2.5167 2.5268 2.5268 2.5731 2.5731 2.7573 2.7573 2.9391 2.9581 2.9752 2.9752 3.7793 3.7793 3.8617 3.9396 3.9396 3.9473 4.0390 4.0390 4.0448 4.1003 4.1124 4.1124 4.4309 4.4309 4.4938 4.5496 4.5496 4.5634 4.7135 4.7135 4.8292 4.8538 4.8538 4.8893 5.9168 5.9300 5.9454 5.9454 5.9879 5.9879 7.5427 7.5434 7.5434 7.5495 7.8731 7.8731 8.0994 8.1130 8.1130 8.1130 10.4765 10.4765 11.1436 11.1495 k = 0.3725 0.3725 0.3725 ( 5908 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9539 -31.9538 -31.9538 -31.9538 -6.5871 -6.5871 -6.3654 -6.3654 -6.3644 -6.3617 -6.3203 -6.3203 1.0911 1.0912 1.0912 1.0994 1.2095 1.2095 1.6357 1.6357 2.3733 2.4033 2.4033 2.4063 2.5169 2.5238 2.5303 2.5303 2.5703 2.5703 2.7713 2.7713 2.9331 2.9508 2.9694 2.9694 3.7815 3.7815 3.8721 3.9434 3.9434 3.9577 4.0372 4.0372 4.0518 4.1022 4.1100 4.1100 4.4162 4.4162 4.4949 4.5529 4.5529 4.5641 4.7006 4.7006 4.8280 4.8511 4.8511 4.8846 5.9440 5.9554 5.9728 5.9728 6.0181 6.0181 7.5476 7.5488 7.5488 7.5543 7.9042 7.9042 8.1098 8.1231 8.1233 8.1233 10.4761 10.4761 11.0667 11.0718 k = 0.3824 0.3824 0.3824 ( 5923 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9539 -31.9539 -31.9539 -31.9539 -6.5663 -6.5663 -6.3710 -6.3710 -6.3699 -6.3674 -6.3259 -6.3259 1.0810 1.0810 1.0813 1.0890 1.1816 1.1816 1.6174 1.6174 2.3835 2.4142 2.4142 2.4179 2.5207 2.5306 2.5327 2.5327 2.5687 2.5687 2.7861 2.7861 2.9274 2.9438 2.9640 2.9640 3.7833 3.7833 3.8831 3.9472 3.9472 3.9679 4.0350 4.0350 4.0582 4.1036 4.1076 4.1076 4.4041 4.4041 4.4960 4.5557 4.5557 4.5644 4.6877 4.6877 4.8251 4.8472 4.8472 4.8781 5.9726 5.9825 6.0004 6.0004 6.0480 6.0480 7.5529 7.5544 7.5544 7.5593 7.9351 7.9351 8.1193 8.1322 8.1325 8.1325 10.4747 10.4747 10.9899 10.9942 k = 0.3922 0.3922 0.3922 ( 5926 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9539 -31.9539 -31.9539 -31.9539 -6.5465 -6.5465 -6.3762 -6.3762 -6.3750 -6.3727 -6.3314 -6.3314 1.0709 1.0709 1.0715 1.0786 1.1553 1.1553 1.5993 1.5993 2.3939 2.4252 2.4252 2.4296 2.5240 2.5341 2.5341 2.5370 2.5683 2.5683 2.8014 2.8014 2.9223 2.9373 2.9590 2.9590 3.7850 3.7850 3.8946 3.9509 3.9509 3.9779 4.0326 4.0326 4.0640 4.1047 4.1053 4.1053 4.3944 4.3944 4.4973 4.5579 4.5579 4.5642 4.6750 4.6750 4.8210 4.8421 4.8421 4.8701 6.0021 6.0106 6.0283 6.0283 6.0767 6.0767 7.5586 7.5602 7.5602 7.5647 7.9653 7.9653 8.1278 8.1402 8.1406 8.1406 10.4724 10.4724 10.9143 10.9180 k = 0.4020 0.4020 0.4020 ( 5932 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9539 -31.9539 -31.9539 -31.9539 -6.5276 -6.5276 -6.3810 -6.3810 -6.3797 -6.3776 -6.3368 -6.3368 1.0609 1.0609 1.0618 1.0683 1.1308 1.1308 1.5817 1.5817 2.4043 2.4359 2.4359 2.4411 2.5269 2.5346 2.5346 2.5429 2.5688 2.5688 2.8166 2.8166 2.9177 2.9313 2.9546 2.9546 3.7863 3.7863 3.9065 3.9544 3.9544 3.9875 4.0300 4.0300 4.0694 4.1032 4.1032 4.1052 4.3871 4.3871 4.4988 4.5595 4.5595 4.5637 4.6629 4.6629 4.8159 4.8359 4.8359 4.8610 6.0319 6.0391 6.0562 6.0562 6.1041 6.1041 7.5646 7.5664 7.5664 7.5703 7.9946 7.9946 8.1351 8.1469 8.1475 8.1475 10.4695 10.4695 10.8413 10.8443 k = 0.4118 0.4118 0.4118 ( 5944 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9539 -31.9539 -31.9539 -31.9539 -6.5098 -6.5098 -6.3854 -6.3854 -6.3840 -6.3820 -6.3421 -6.3421 1.0512 1.0512 1.0526 1.0584 1.1082 1.1082 1.5649 1.5649 2.4146 2.4460 2.4460 2.4522 2.5293 2.5347 2.5347 2.5481 2.5698 2.5698 2.8315 2.8315 2.9136 2.9257 2.9507 2.9507 3.7873 3.7873 3.9187 3.9577 3.9577 3.9964 4.0272 4.0272 4.0742 4.1014 4.1014 4.1052 4.3820 4.3820 4.5007 4.5603 4.5603 4.5628 4.6517 4.6517 4.8102 4.8290 4.8290 4.8510 6.0614 6.0674 6.0834 6.0834 6.1297 6.1297 7.5708 7.5727 7.5727 7.5762 8.0227 8.0227 8.1413 8.1524 8.1532 8.1532 10.4660 10.4660 10.7718 10.7742 k = 0.4216 0.4216 0.4216 ( 5932 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9539 -31.9539 -31.9539 -31.9539 -6.4931 -6.4931 -6.3893 -6.3893 -6.3878 -6.3860 -6.3474 -6.3474 1.0422 1.0422 1.0439 1.0491 1.0876 1.0876 1.5492 1.5492 2.4248 2.4554 2.4554 2.4628 2.5313 2.5348 2.5348 2.5525 2.5709 2.5709 2.8456 2.8456 2.9100 2.9207 2.9474 2.9474 3.7880 3.7880 3.9310 3.9608 3.9608 4.0046 4.0245 4.0245 4.0785 4.0999 4.0999 4.1049 4.3789 4.3789 4.5030 4.5601 4.5601 4.5616 4.6417 4.6417 4.8042 4.8215 4.8215 4.8406 6.0899 6.0949 6.1095 6.1095 6.1537 6.1537 7.5774 7.5793 7.5793 7.5823 8.0491 8.0491 8.1463 8.1565 8.1576 8.1576 10.4622 10.4622 10.7068 10.7087 k = 0.4314 0.4314 0.4314 ( 5932 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9539 -31.9539 -31.9539 -31.9539 -6.4775 -6.4775 -6.3928 -6.3928 -6.3912 -6.3896 -6.3527 -6.3527 1.0338 1.0338 1.0359 1.0404 1.0691 1.0691 1.5349 1.5349 2.4346 2.4639 2.4639 2.4723 2.5331 2.5353 2.5353 2.5560 2.5717 2.5717 2.8586 2.8586 2.9070 2.9162 2.9448 2.9448 3.7884 3.7884 3.9434 3.9634 3.9634 4.0117 4.0220 4.0220 4.0823 4.0988 4.0988 4.1042 4.3773 4.3773 4.5058 4.5587 4.5587 4.5599 4.6335 4.6335 4.7982 4.8138 4.8138 4.8300 6.1168 6.1209 6.1337 6.1337 6.1756 6.1756 7.5840 7.5858 7.5858 7.5884 8.0734 8.0734 8.1502 8.1594 8.1609 8.1609 10.4582 10.4582 10.6473 10.6487 k = 0.4412 0.4412 0.4412 ( 5929 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9539 -31.9539 -31.9539 -31.9539 -6.4631 -6.4631 -6.3958 -6.3958 -6.3941 -6.3928 -6.3582 -6.3582 1.0262 1.0262 1.0287 1.0326 1.0530 1.0530 1.5220 1.5220 2.4441 2.4710 2.4710 2.4806 2.5347 2.5365 2.5365 2.5586 2.5721 2.5721 2.8701 2.8701 2.9045 2.9123 2.9429 2.9429 3.7885 3.7885 3.9556 3.9657 3.9657 4.0176 4.0198 4.0198 4.0856 4.0979 4.0979 4.1032 4.3771 4.3771 4.5089 4.5559 4.5559 4.5577 4.6273 4.6273 4.7925 4.8062 4.8062 4.8197 6.1416 6.1448 6.1555 6.1555 6.1955 6.1955 7.5905 7.5922 7.5922 7.5944 8.0954 8.0954 8.1530 8.1612 8.1631 8.1631 10.4543 10.4543 10.5940 10.5950 k = 0.4510 0.4510 0.4510 ( 5929 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9539 -31.9539 -31.9539 -31.9539 -6.4498 -6.4498 -6.3984 -6.3984 -6.3966 -6.3955 -6.3637 -6.3637 1.0196 1.0196 1.0225 1.0258 1.0392 1.0392 1.5109 1.5109 2.4531 2.4768 2.4768 2.4872 2.5366 2.5386 2.5386 2.5602 2.5719 2.5719 2.8797 2.8797 2.9024 2.9088 2.9417 2.9417 3.7884 3.7884 3.9674 3.9674 3.9674 4.0180 4.0180 4.0219 4.0885 4.0974 4.0974 4.1020 4.3778 4.3778 4.5126 4.5520 4.5520 4.5551 4.6231 4.6231 4.7874 4.7990 4.7990 4.8099 6.1635 6.1661 6.1744 6.1744 6.2132 6.2132 7.5968 7.5983 7.5983 7.6001 8.1147 8.1147 8.1550 8.1621 8.1644 8.1644 10.4506 10.4506 10.5476 10.5484 k = 0.4608 0.4608 0.4608 ( 5926 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9540 -31.9540 -31.9540 -31.9540 -6.4376 -6.4376 -6.4005 -6.4005 -6.3986 -6.3977 -6.3695 -6.3695 1.0140 1.0140 1.0174 1.0200 1.0279 1.0279 1.5015 1.5015 2.4615 2.4811 2.4811 2.4916 2.5390 2.5415 2.5415 2.5607 2.5711 2.5711 2.8874 2.8874 2.9009 2.9060 2.9413 2.9413 3.7882 3.7882 3.9688 3.9688 3.9788 4.0167 4.0167 4.0244 4.0909 4.0970 4.0970 4.1008 4.3791 4.3791 4.5167 4.5474 4.5474 4.5521 4.6207 4.6207 4.7832 4.7925 4.7925 4.8011 6.1823 6.1842 6.1900 6.1900 6.2284 6.2284 7.6025 7.6037 7.6037 7.6052 8.1309 8.1309 8.1563 8.1621 8.1651 8.1651 10.4472 10.4472 10.5088 10.5094 k = 0.4706 0.4706 0.4706 ( 5929 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9540 -31.9540 -31.9540 -31.9540 -6.4265 -6.4265 -6.4022 -6.4022 -6.4002 -6.3995 -6.3756 -6.3756 1.0093 1.0093 1.0134 1.0154 1.0192 1.0192 1.4942 1.4942 2.4693 2.4842 2.4842 2.4936 2.5420 2.5449 2.5449 2.5601 2.5696 2.5696 2.8931 2.8931 2.8999 2.9036 2.9415 2.9415 3.7879 3.7879 3.9697 3.9697 3.9894 4.0157 4.0157 4.0250 4.0928 4.0968 4.0968 4.0996 4.3807 4.3807 4.5212 4.5429 4.5429 4.5486 4.6195 4.6195 4.7801 4.7870 4.7870 4.7934 6.1973 6.1987 6.2021 6.2021 6.2408 6.2408 7.6073 7.6083 7.6083 7.6094 8.1437 8.1437 8.1572 8.1617 8.1654 8.1654 10.4443 10.4443 10.4781 10.4785 k = 0.4804 0.4804 0.4804 ( 5917 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9540 -31.9540 -31.9540 -31.9540 -6.4167 -6.4167 -6.4033 -6.4033 -6.4012 -6.4008 -6.3819 -6.3819 1.0057 1.0057 1.0106 1.0119 1.0132 1.0132 1.4889 1.4889 2.4763 2.4861 2.4861 2.4935 2.5457 2.5486 2.5486 2.5586 2.5677 2.5677 2.8968 2.8968 2.8993 2.9018 2.9421 2.9421 3.7876 3.7876 3.9703 3.9703 3.9991 4.0151 4.0151 4.0236 4.0944 4.0968 4.0968 4.0986 4.3822 4.3822 4.5259 4.5390 4.5390 4.5446 4.6190 4.6190 4.7783 4.7829 4.7829 4.7871 6.2084 6.2093 6.2108 6.2108 6.2499 6.2499 7.6112 7.6119 7.6119 7.6126 8.1528 8.1528 8.1579 8.1609 8.1657 8.1657 10.4418 10.4418 10.4559 10.4561 k = 0.4902 0.4902 0.4902 ( 5904 PWs) bands (ev): -58.3900 -58.3900 -32.7829 -32.7829 -31.9540 -31.9540 -31.9540 -31.9540 -6.4085 -6.4085 -6.4036 -6.4036 -6.4018 -6.4016 -6.3883 -6.3883 1.0034 1.0034 1.0090 1.0097 1.0098 1.0098 1.4857 1.4857 2.4824 2.4872 2.4872 2.4913 2.5495 2.5518 2.5518 2.5563 2.5657 2.5657 2.8989 2.8989 2.8992 2.9005 2.9426 2.9426 3.7875 3.7875 3.9707 3.9707 4.0076 4.0148 4.0148 4.0201 4.0957 4.0967 4.0967 4.0977 4.3832 4.3832 4.5308 4.5365 4.5365 4.5403 4.6189 4.6189 4.7781 4.7803 4.7803 4.7824 6.2153 6.2157 6.2160 6.2160 6.2556 6.2556 7.6137 7.6141 7.6141 7.6144 8.1578 8.1578 8.1585 8.1600 8.1663 8.1663 10.4394 10.4394 10.4424 10.4425 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.3900 -58.3900 -32.7829 -32.7829 -31.9540 -31.9540 -31.9540 -31.9540 -6.4056 -6.4056 -6.4020 -6.4020 -6.4020 -6.4020 -6.3924 -6.3924 1.0025 1.0025 1.0087 1.0087 1.0087 1.0087 1.4846 1.4846 2.4875 2.4875 2.4875 2.4875 2.5532 2.5532 2.5532 2.5532 2.5647 2.5647 2.8996 2.8996 2.8996 2.8996 2.9428 2.9428 3.7874 3.7874 3.9708 3.9708 4.0147 4.0147 4.0147 4.0147 4.0967 4.0967 4.0967 4.0967 4.3836 4.3836 4.5356 4.5356 4.5356 4.5356 4.6189 4.6189 4.7794 4.7794 4.7794 4.7794 6.2177 6.2177 6.2177 6.2177 6.2575 6.2575 7.6148 7.6148 7.6148 7.6148 8.1592 8.1592 8.1592 8.1592 8.1668 8.1668 10.4380 10.4380 10.4380 10.4380 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.3900 -58.3900 -32.7829 -32.7829 -31.9540 -31.9540 -31.9540 -31.9540 -6.4056 -6.4056 -6.4020 -6.4020 -6.4020 -6.4020 -6.3924 -6.3924 1.0025 1.0025 1.0087 1.0087 1.0087 1.0087 1.4846 1.4846 2.4875 2.4875 2.4875 2.4875 2.5532 2.5532 2.5532 2.5532 2.5647 2.5647 2.8996 2.8996 2.8996 2.8996 2.9428 2.9428 3.7874 3.7874 3.9708 3.9708 4.0147 4.0147 4.0147 4.0147 4.0967 4.0967 4.0967 4.0967 4.3836 4.3836 4.5356 4.5356 4.5356 4.5356 4.6189 4.6189 4.7794 4.7794 4.7794 4.7794 6.2177 6.2177 6.2177 6.2177 6.2575 6.2575 7.6148 7.6148 7.6148 7.6148 8.1592 8.1592 8.1592 8.1592 8.1668 8.1668 10.4380 10.4380 10.4380 10.4380 k = 0.4881 0.5000 0.4881 ( 5904 PWs) bands (ev): -58.3900 -58.3900 -32.7829 -32.7829 -31.9540 -31.9540 -31.9540 -31.9540 -6.4083 -6.4083 -6.4037 -6.4037 -6.4019 -6.4017 -6.3884 -6.3883 1.0034 1.0034 1.0091 1.0097 1.0097 1.0099 1.4856 1.4856 2.4827 2.4860 2.4883 2.4911 2.5496 2.5511 2.5526 2.5561 2.5656 2.5658 2.8988 2.8992 2.8992 2.9004 2.9426 2.9426 3.7875 3.7875 3.9707 3.9707 4.0079 4.0131 4.0163 4.0199 4.0957 4.0965 4.0970 4.0977 4.3832 4.3833 4.5310 4.5352 4.5376 4.5401 4.6189 4.6189 4.7781 4.7797 4.7808 4.7824 6.2152 6.2155 6.2161 6.2163 6.2556 6.2556 7.6133 7.6137 7.6144 7.6148 8.1576 8.1582 8.1585 8.1599 8.1662 8.1664 10.4398 10.4398 10.4420 10.4421 k = 0.4762 0.5000 0.4762 ( 5914 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9540 -31.9540 -31.9540 -31.9540 -6.4161 -6.4160 -6.4040 -6.4039 -6.4012 -6.4008 -6.3819 -6.3818 1.0057 1.0057 1.0109 1.0120 1.0127 1.0131 1.4888 1.4888 2.4768 2.4839 2.4883 2.4933 2.5457 2.5475 2.5499 2.5581 2.5673 2.5685 2.8967 2.8974 2.8992 2.9015 2.9420 2.9421 3.7876 3.7876 3.9703 3.9704 3.9999 4.0116 4.0179 4.0235 4.0945 4.0963 4.0972 4.0986 4.3821 4.3822 4.5265 4.5363 4.5412 4.5445 4.6190 4.6191 4.7783 4.7818 4.7838 4.7870 6.2080 6.2087 6.2113 6.2117 6.2501 6.2502 7.6094 7.6103 7.6136 7.6144 8.1525 8.1544 8.1577 8.1600 8.1654 8.1659 10.4442 10.4445 10.4522 10.4526 k = 0.4643 0.5000 0.4643 ( 5926 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9540 -31.9540 -31.9540 -31.9540 -6.4254 -6.4252 -6.4041 -6.4040 -6.3997 -6.3991 -6.3754 -6.3753 1.0091 1.0092 1.0144 1.0159 1.0179 1.0186 1.4940 1.4940 2.4700 2.4811 2.4872 2.4937 2.5411 2.5442 2.5459 2.5593 2.5691 2.5714 2.8932 2.8943 2.8995 2.9030 2.9413 2.9415 3.7878 3.7879 3.9696 3.9698 3.9907 4.0103 4.0193 4.0257 4.0930 4.0962 4.0973 4.0997 4.3804 4.3808 4.5220 4.5388 4.5459 4.5487 4.6193 4.6197 4.7798 4.7854 4.7884 4.7933 6.1962 6.1974 6.2033 6.2040 6.2412 6.2415 7.6033 7.6046 7.6123 7.6136 8.1438 8.1471 8.1566 8.1590 8.1655 8.1658 10.4504 10.4511 10.4670 10.4679 k = 0.4524 0.5000 0.4524 ( 5932 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9540 -31.9540 -31.9539 -31.9539 -6.4355 -6.4352 -6.4045 -6.4044 -6.3973 -6.3966 -6.3691 -6.3689 1.0131 1.0136 1.0199 1.0214 1.0254 1.0265 1.5013 1.5013 2.4625 2.4776 2.4847 2.4923 2.5353 2.5413 2.5424 2.5598 2.5707 2.5743 2.8880 2.8895 2.9000 2.9047 2.9408 2.9412 3.7881 3.7883 3.9686 3.9688 3.9810 4.0092 4.0197 4.0273 4.0911 4.0961 4.0973 4.1009 4.3783 4.3793 4.5176 4.5425 4.5499 4.5542 4.6203 4.6211 4.7827 4.7902 4.7945 4.8008 6.1799 6.1816 6.1920 6.1931 6.2294 6.2301 7.5954 7.5971 7.6107 7.6123 8.1317 8.1362 8.1550 8.1570 8.1656 8.1662 10.4587 10.4597 10.4872 10.4884 k = 0.4405 0.5000 0.4405 ( 5924 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9540 -31.9540 -31.9539 -31.9539 -6.4464 -6.4461 -6.4052 -6.4052 -6.3941 -6.3932 -6.3630 -6.3627 1.0177 1.0187 1.0273 1.0287 1.0351 1.0365 1.5105 1.5106 2.4544 2.4734 2.4805 2.4895 2.5288 2.5360 2.5420 2.5597 2.5719 2.5767 2.8810 2.8830 2.9009 2.9067 2.9409 2.9415 3.7882 3.7887 3.9658 3.9672 3.9724 4.0083 4.0184 4.0294 4.0891 4.0961 4.0973 4.1022 4.3760 4.3779 4.5133 4.5470 4.5522 4.5615 4.6220 4.6236 4.7867 4.7957 4.8020 4.8092 6.1594 6.1618 6.1773 6.1788 6.2152 6.2164 7.5861 7.5884 7.6086 7.6106 8.1165 8.1222 8.1526 8.1540 8.1653 8.1669 10.4693 10.4705 10.5128 10.5142 k = 0.4286 0.5000 0.4286 ( 5924 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9539 -31.9539 -31.9539 -31.9539 -6.4579 -6.4576 -6.4063 -6.4063 -6.3901 -6.3892 -6.3569 -6.3566 1.0230 1.0246 1.0362 1.0376 1.0471 1.0488 1.5215 1.5217 2.4457 2.4684 2.4742 2.4855 2.5218 2.5303 2.5427 2.5591 2.5727 2.5787 2.8720 2.8744 2.9019 2.9090 2.9417 2.9427 3.7883 3.7891 3.9567 3.9654 3.9691 4.0077 4.0153 4.0322 4.0869 4.0962 4.0973 4.1036 4.3739 4.3769 4.5091 4.5520 4.5533 4.5699 4.6245 4.6272 4.7920 4.8016 4.8109 4.8183 6.1353 6.1383 6.1594 6.1613 6.1990 6.2007 7.5759 7.5787 7.6061 7.6085 8.0985 8.1054 8.1492 8.1502 8.1644 8.1669 10.4821 10.4836 10.5435 10.5451 k = 0.4167 0.5000 0.4167 ( 5928 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9539 -31.9539 -31.9539 -31.9539 -6.4702 -6.4698 -6.4079 -6.4079 -6.3854 -6.3844 -6.3508 -6.3504 1.0290 1.0312 1.0466 1.0479 1.0612 1.0630 1.5343 1.5346 2.4366 2.4625 2.4664 2.4800 2.5148 2.5242 2.5441 2.5581 2.5733 2.5803 2.8612 2.8639 2.9032 2.9114 2.9436 2.9448 3.7880 3.7891 3.9455 3.9630 3.9674 4.0074 4.0108 4.0355 4.0847 4.0962 4.0972 4.1048 4.3720 4.3767 4.5051 4.5537 4.5573 4.5788 4.6276 4.6320 4.7983 4.8073 4.8204 4.8281 6.1080 6.1116 6.1386 6.1409 6.1809 6.1831 7.5653 7.5686 7.6031 7.6059 8.0781 8.0859 8.1449 8.1455 8.1626 8.1660 10.4973 10.4991 10.5790 10.5807 k = 0.4048 0.5000 0.4048 ( 5936 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9539 -31.9539 -31.9539 -31.9539 -6.4831 -6.4826 -6.4099 -6.4099 -6.3800 -6.3789 -6.3446 -6.3442 1.0358 1.0385 1.0583 1.0597 1.0772 1.0792 1.5487 1.5491 2.4270 2.4556 2.4573 2.4726 2.5082 2.5178 2.5457 2.5567 2.5738 2.5816 2.8486 2.8515 2.9049 2.9142 2.9464 2.9478 3.7874 3.7888 3.9340 3.9600 3.9656 4.0055 4.0074 4.0392 4.0825 4.0963 4.0969 4.1059 4.3706 4.3774 4.5014 4.5535 4.5626 4.5881 4.6309 4.6379 4.8053 4.8128 4.8293 4.8396 6.0782 6.0824 6.1154 6.1178 6.1611 6.1636 7.5546 7.5584 7.5997 7.6028 8.0555 8.0642 8.1394 8.1397 8.1599 8.1640 10.5148 10.5167 10.6189 10.6208 k = 0.3929 0.5000 0.3929 ( 5948 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9539 -31.9539 -31.9539 -31.9539 -6.4966 -6.4961 -6.4125 -6.4124 -6.3740 -6.3728 -6.3383 -6.3377 1.0433 1.0465 1.0713 1.0727 1.0950 1.0971 1.5645 1.5650 2.4172 2.4474 2.4477 2.4633 2.5022 2.5111 2.5471 2.5548 2.5744 2.5829 2.8344 2.8373 2.9069 2.9173 2.9501 2.9518 3.7862 3.7879 3.9226 3.9564 3.9636 3.9999 4.0075 4.0432 4.0805 4.0964 4.0966 4.1068 4.3700 4.3793 4.4981 4.5531 4.5677 4.5975 4.6343 4.6447 4.8116 4.8192 4.8364 4.8533 6.0467 6.0514 6.0901 6.0928 6.1395 6.1421 7.5441 7.5485 7.5959 7.5992 8.0310 8.0405 8.1326 8.1327 8.1560 8.1608 10.5346 10.5366 10.6629 10.6648 k = 0.3810 0.5000 0.3810 ( 5948 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9539 -31.9539 -31.9539 -31.9539 -6.5106 -6.5101 -6.4156 -6.4155 -6.3673 -6.3660 -6.3316 -6.3311 1.0514 1.0551 1.0853 1.0868 1.1145 1.1166 1.5814 1.5822 2.4071 2.4369 2.4387 2.4520 2.4968 2.5044 2.5481 2.5526 2.5756 2.5843 2.8188 2.8216 2.9095 2.9208 2.9547 2.9567 3.7843 3.7861 3.9117 3.9521 3.9614 3.9945 4.0076 4.0473 4.0791 4.0962 4.0965 4.1076 4.3703 4.3825 4.4955 4.5528 4.5723 4.6069 4.6373 4.6522 4.8150 4.8282 4.8416 4.8689 6.0142 6.0192 6.0634 6.0661 6.1161 6.1187 7.5342 7.5391 7.5916 7.5951 8.0051 8.0152 8.1245 8.1246 8.1508 8.1563 10.5563 10.5585 10.7107 10.7125 k = 0.3690 0.5000 0.3690 ( 5924 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9539 -31.9539 -31.9538 -31.9538 -6.5251 -6.5245 -6.4193 -6.4192 -6.3601 -6.3586 -6.3247 -6.3241 1.0601 1.0642 1.1004 1.1020 1.1355 1.1375 1.5994 1.6005 2.3969 2.4260 2.4287 2.4394 2.4918 2.4976 2.5483 2.5501 2.5776 2.5860 2.8020 2.8045 2.9128 2.9249 2.9600 2.9623 3.7817 3.7833 3.9016 3.9471 3.9590 3.9897 4.0076 4.0516 4.0783 4.0957 4.0967 4.1082 4.3716 4.3873 4.4936 4.5528 4.5763 4.6161 4.6399 4.6601 4.8157 4.8393 4.8448 4.8861 5.9814 5.9867 6.0358 6.0384 6.0911 6.0934 7.5248 7.5304 7.5870 7.5905 7.9780 7.9886 8.1149 8.1152 8.1443 8.1504 10.5801 10.5822 10.7617 10.7635 k = 0.3571 0.5000 0.3571 ( 5920 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9539 -31.9539 -31.9538 -31.9538 -6.5400 -6.5395 -6.4236 -6.4235 -6.3523 -6.3507 -6.3175 -6.3169 1.0692 1.0738 1.1163 1.1180 1.1579 1.1598 1.6181 1.6195 2.3866 2.4148 2.4178 2.4256 2.4869 2.4909 2.5474 2.5475 2.5805 2.5881 2.7841 2.7862 2.9168 2.9295 2.9658 2.9686 3.7781 3.7791 3.8925 3.9414 3.9565 3.9858 4.0072 4.0558 4.0784 4.0951 4.0969 4.1086 4.3741 4.3936 4.4924 4.5531 4.5796 4.6248 4.6419 4.6681 4.8138 4.8456 4.8519 4.9046 5.9489 5.9543 6.0077 6.0099 6.0644 6.0661 7.5163 7.5224 7.5820 7.5854 7.9502 7.9610 8.1039 8.1043 8.1366 8.1432 10.6054 10.6077 10.8157 10.8174 k = 0.3452 0.5000 0.3452 ( 5920 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9539 -31.9539 -31.9538 -31.9538 -6.5554 -6.5548 -6.4284 -6.4283 -6.3439 -6.3423 -6.3100 -6.3093 1.0786 1.0837 1.1329 1.1348 1.1814 1.1831 1.6373 1.6391 2.3762 2.4031 2.4060 2.4111 2.4821 2.4842 2.5447 2.5460 2.5843 2.5905 2.7655 2.7669 2.9216 2.9348 2.9723 2.9755 3.7735 3.7736 3.8846 3.9351 3.9537 3.9830 4.0061 4.0599 4.0794 4.0944 4.0972 4.1090 4.3777 4.4014 4.4921 4.5538 4.5821 4.6327 4.6437 4.6760 4.8095 4.8440 4.8657 4.9242 5.9171 5.9225 5.9796 5.9811 6.0363 6.0370 7.5086 7.5153 7.5765 7.5798 7.9219 7.9327 8.0915 8.0920 8.1276 8.1347 10.6323 10.6345 10.8722 10.8738 k = 0.3333 0.5000 0.3333 ( 5944 PWs) bands (ev): -58.3900 -58.3900 -32.7827 -32.7827 -31.9539 -31.9539 -31.9538 -31.9538 -6.5710 -6.5704 -6.4337 -6.4336 -6.3351 -6.3334 -6.3021 -6.3014 1.0882 1.0938 1.1501 1.1522 1.2058 1.2072 1.6566 1.6588 2.3658 2.3902 2.3934 2.3970 2.4773 2.4775 2.5420 2.5440 2.5887 2.5934 2.7464 2.7469 2.9273 2.9407 2.9792 2.9830 3.7665 3.7679 3.8779 3.9284 3.9508 3.9812 4.0042 4.0636 4.0812 4.0935 4.0978 4.1092 4.3826 4.4107 4.4928 4.5550 4.5838 4.6382 4.6466 4.6835 4.8025 4.8397 4.8805 4.9447 5.8866 5.8916 5.9519 5.9523 6.0062 6.0073 7.5018 7.5090 7.5706 7.5734 7.8936 7.9041 8.0776 8.0782 8.1175 8.1251 10.6602 10.6624 10.9308 10.9322 k = 0.3214 0.5000 0.3214 ( 5924 PWs) bands (ev): -58.3900 -58.3900 -32.7827 -32.7827 -31.9539 -31.9539 -31.9538 -31.9538 -6.5869 -6.5862 -6.4396 -6.4394 -6.3259 -6.3241 -6.2940 -6.2932 1.0979 1.1039 1.1678 1.1700 1.2310 1.2321 1.6758 1.6785 2.3554 2.3755 2.3805 2.3845 2.4710 2.4725 2.5397 2.5418 2.5939 2.5969 2.7264 2.7271 2.9340 2.9474 2.9867 2.9911 3.7582 3.7612 3.8725 3.9216 3.9480 3.9804 4.0015 4.0669 4.0837 4.0926 4.0990 4.1097 4.3887 4.4213 4.4947 4.5568 4.5847 4.6395 4.6527 4.6905 4.7930 4.8328 4.8963 4.9660 5.8573 5.8616 5.9238 5.9253 5.9741 5.9780 7.4960 7.5037 7.5642 7.5664 7.8657 7.8755 8.0624 8.0630 8.1064 8.1145 10.6889 10.6910 10.9912 10.9924 k = 0.3095 0.5000 0.3095 ( 5924 PWs) bands (ev): -58.3900 -58.3900 -32.7827 -32.7827 -31.9539 -31.9539 -31.9537 -31.9537 -6.6029 -6.6023 -6.4458 -6.4456 -6.3162 -6.3144 -6.2855 -6.2847 1.1075 1.1140 1.1857 1.1881 1.2568 1.2575 1.6945 1.6978 2.3449 2.3596 2.3674 2.3731 2.4647 2.4676 2.5378 2.5394 2.5995 2.6008 2.7059 2.7081 2.9417 2.9548 2.9945 2.9997 3.7489 3.7536 3.8679 3.9147 3.9450 3.9805 3.9979 4.0696 4.0860 4.0916 4.1014 4.1105 4.3959 4.4327 4.4978 4.5590 4.5847 4.6383 4.6601 4.6967 4.7812 4.8231 4.9129 4.9878 5.8291 5.8322 5.8959 5.9000 5.9410 5.9490 7.4911 7.4993 7.5572 7.5584 7.8387 7.8474 8.0459 8.0465 8.0944 8.1029 10.7181 10.7201 11.0529 11.0539 k = 0.2976 0.5000 0.2976 ( 5932 PWs) bands (ev): -58.3900 -58.3900 -32.7827 -32.7827 -31.9539 -31.9539 -31.9537 -31.9537 -6.6191 -6.6184 -6.4525 -6.4523 -6.3062 -6.3043 -6.2769 -6.2760 1.1170 1.1239 1.2038 1.2064 1.2828 1.2831 1.7125 1.7165 2.3343 2.3431 2.3545 2.3624 2.4584 2.4627 2.5362 2.5367 2.6051 2.6056 2.6857 2.6898 2.9504 2.9630 3.0028 3.0087 3.7389 3.7452 3.8640 3.9080 3.9419 3.9812 3.9935 4.0713 4.0877 4.0904 4.1055 4.1119 4.4040 4.4446 4.5023 4.5618 4.5838 4.6357 4.6677 4.7017 4.7676 4.8109 4.9302 5.0100 5.8017 5.8025 5.8688 5.8763 5.9078 5.9215 7.4870 7.4957 7.5493 7.5494 7.8130 7.8202 8.0282 8.0288 8.0816 8.0905 10.7473 10.7492 11.1154 11.1162 k = 0.2857 0.5000 0.2857 ( 5928 PWs) bands (ev): -58.3900 -58.3900 -32.7827 -32.7827 -31.9539 -31.9539 -31.9537 -31.9537 -6.6353 -6.6346 -6.4594 -6.4593 -6.2959 -6.2940 -6.2680 -6.2671 1.1260 1.1335 1.2218 1.2245 1.3088 1.3090 1.7296 1.7342 2.3232 2.3267 2.3423 2.3521 2.4523 2.4578 2.5336 2.5348 2.6099 2.6119 2.6666 2.6729 2.9602 2.9719 3.0114 3.0183 3.7284 3.7361 3.8607 3.9016 3.9388 3.9825 3.9885 4.0720 4.0885 4.0892 4.1112 4.1143 4.4129 4.4563 4.5084 4.5653 4.5822 4.6321 4.6755 4.7044 4.7540 4.7964 4.9481 5.0324 5.7713 5.7741 5.8434 5.8540 5.8759 5.8964 7.4839 7.4931 7.5388 7.5407 7.7891 7.7943 8.0094 8.0099 8.0681 8.0775 10.7762 10.7779 11.1783 11.1790 k = 0.2738 0.5000 0.2738 ( 5942 PWs) bands (ev): -58.3900 -58.3900 -32.7827 -32.7827 -31.9539 -31.9539 -31.9536 -31.9536 -6.6515 -6.6508 -6.4667 -6.4665 -6.2854 -6.2834 -6.2589 -6.2580 1.1346 1.1424 1.2396 1.2425 1.3343 1.3351 1.7455 1.7508 2.3104 2.3116 2.3312 2.3422 2.4463 2.4529 2.5297 2.5330 2.6149 2.6186 2.6495 2.6582 2.9710 2.9816 3.0205 3.0283 3.7178 3.7265 3.8577 3.8953 3.9357 3.9828 3.9841 4.0714 4.0879 4.0887 4.1175 4.1179 4.4221 4.4672 4.5160 4.5693 4.5800 4.6275 4.6835 4.7015 4.7441 4.7799 4.9665 5.0549 5.7376 5.7452 5.8201 5.8305 5.8494 5.8745 7.4816 7.4912 7.5268 7.5307 7.7675 7.7703 7.9896 7.9901 8.0541 8.0638 10.8045 10.8060 11.2411 11.2416 k = 0.2619 0.5000 0.2619 ( 5942 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9538 -31.9538 -31.9536 -31.9536 -6.6675 -6.6668 -6.4741 -6.4740 -6.2747 -6.2727 -6.2497 -6.2488 1.1425 1.1508 1.2571 1.2601 1.3595 1.3608 1.7601 1.7662 2.2946 2.2994 2.3213 2.3329 2.4404 2.4480 2.5243 2.5301 2.6196 2.6255 2.6361 2.6466 2.9830 2.9922 3.0300 3.0388 3.7072 3.7166 3.8549 3.8895 3.9325 3.9767 3.9859 4.0693 4.0869 4.0885 4.1216 4.1254 4.4314 4.4769 4.5243 4.5741 4.5776 4.6220 4.6899 4.6918 4.7421 4.7621 4.9852 5.0774 5.7008 5.7139 5.7993 5.8043 5.8311 5.8561 7.4801 7.4899 7.5131 7.5193 7.7485 7.7487 7.9690 7.9694 8.0397 8.0497 10.8317 10.8330 11.3032 11.3035 k = 0.2500 0.5000 0.2500 ( 5940 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9538 -31.9538 -31.9536 -31.9536 -6.6834 -6.6827 -6.4818 -6.4816 -6.2638 -6.2618 -6.2403 -6.2395 1.1497 1.1583 1.2740 1.2771 1.3840 1.3859 1.7733 1.7800 2.2795 2.2871 2.3126 2.3240 2.4347 2.4432 2.5170 2.5247 2.6201 2.6316 2.6324 2.6390 2.9961 3.0036 3.0399 3.0498 3.6968 3.7065 3.8522 3.8839 3.9295 3.9702 3.9879 4.0659 4.0863 4.0882 4.1265 4.1333 4.4402 4.4854 4.5313 4.5758 4.5796 4.6157 4.6726 4.6998 4.7440 4.7464 5.0042 5.0998 5.6610 5.6794 5.7788 5.7810 5.8184 5.8412 7.4793 7.4886 7.4985 7.5063 7.7295 7.7328 7.9479 7.9481 8.0250 8.0353 10.8576 10.8586 11.3640 11.3641 k = 0.2381 0.5000 0.2381 ( 5940 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9538 -31.9538 -31.9536 -31.9536 -6.6990 -6.6983 -6.4895 -6.4893 -6.2529 -6.2509 -6.2310 -6.2301 1.1559 1.1648 1.2902 1.2935 1.4078 1.4103 1.7850 1.7924 2.2652 2.2751 2.3050 2.3157 2.4291 2.4384 2.5077 2.5163 2.6170 2.6339 2.6363 2.6409 3.0103 3.0159 3.0503 3.0614 3.6868 3.6964 3.8494 3.8786 3.9264 3.9634 3.9899 4.0613 4.0860 4.0876 4.1318 4.1411 4.4481 4.4928 4.5346 4.5749 4.5860 4.6087 4.6544 4.7041 4.7300 4.7544 5.0233 5.1217 5.6188 5.6416 5.7564 5.7650 5.8093 5.8297 7.4781 7.4787 7.4919 7.4919 7.7136 7.7198 7.9264 7.9265 8.0101 8.0207 10.8819 10.8826 11.4226 11.4228 k = 0.2262 0.5000 0.2262 ( 5946 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9538 -31.9538 -31.9535 -31.9535 -6.7143 -6.7136 -6.4972 -6.4970 -6.2420 -6.2400 -6.2217 -6.2208 1.1612 1.1703 1.3056 1.3089 1.4306 1.4337 1.7952 1.8034 2.2519 2.2635 2.2983 2.3080 2.4235 2.4338 2.4967 2.5052 2.6171 2.6337 2.6430 2.6482 3.0256 3.0290 3.0611 3.0734 3.6771 3.6863 3.8465 3.8736 3.9235 3.9566 3.9917 4.0558 4.0861 4.0869 4.1375 4.1487 4.4546 4.4990 4.5335 4.5721 4.5930 4.6011 4.6402 4.6943 4.7314 4.7652 5.0424 5.1431 5.5747 5.6011 5.7372 5.7510 5.8028 5.8211 7.4597 7.4720 7.4825 7.4923 7.7006 7.7098 7.9047 7.9049 7.9951 8.0059 10.9043 10.9046 11.4783 11.4788 k = 0.2143 0.5000 0.2143 ( 5954 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9538 -31.9538 -31.9535 -31.9535 -6.7293 -6.7286 -6.5049 -6.5047 -6.2311 -6.2291 -6.2124 -6.2115 1.1654 1.1746 1.3200 1.3233 1.4522 1.4559 1.8041 1.8128 2.2398 2.2528 2.2925 2.3009 2.4180 2.4293 2.4849 2.4925 2.6205 2.6361 2.6503 2.6559 3.0419 3.0431 3.0724 3.0861 3.6679 3.6765 3.8434 3.8690 3.9208 3.9498 3.9933 4.0496 4.0860 4.0864 4.1432 4.1555 4.4594 4.5026 4.5299 4.5627 4.5909 4.6023 4.6346 4.6774 4.7421 4.7784 5.0615 5.1637 5.5291 5.5586 5.7211 5.7392 5.7986 5.8149 7.4396 7.4547 7.4827 7.4938 7.6905 7.7023 7.8831 7.8836 7.9802 7.9911 10.9246 10.9246 11.5301 11.5311 k = 0.2024 0.5000 0.2024 ( 5950 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9538 -31.9538 -31.9535 -31.9535 -6.7438 -6.7431 -6.5126 -6.5124 -6.2204 -6.2184 -6.2032 -6.2024 1.1684 1.1777 1.3332 1.3366 1.4725 1.4768 1.8117 1.8208 2.2290 2.2429 2.2877 2.2946 2.4126 2.4249 2.4728 2.4794 2.6263 2.6407 2.6582 2.6637 3.0580 3.0592 3.0842 3.0993 3.6591 3.6668 3.8400 3.8646 3.9183 3.9434 3.9947 4.0429 4.0849 4.0870 4.1487 4.1616 4.4624 4.5010 4.5245 4.5498 4.5802 4.6110 4.6370 4.6613 4.7558 4.7939 5.0804 5.1834 5.4827 5.5148 5.7079 5.7296 5.7962 5.8108 7.4186 7.4351 7.4845 7.4960 7.6829 7.6968 7.8620 7.8629 7.9653 7.9765 10.9422 10.9426 11.5769 11.5785 k = 0.1905 0.5000 0.1905 ( 5940 PWs) bands (ev): -58.3900 -58.3900 -32.7825 -32.7825 -31.9538 -31.9538 -31.9535 -31.9535 -6.7578 -6.7571 -6.5201 -6.5199 -6.2098 -6.2079 -6.1942 -6.1934 1.1703 1.1796 1.3453 1.3487 1.4914 1.4962 1.8180 1.8275 2.2194 2.2341 2.2837 2.2892 2.4072 2.4208 2.4611 2.4666 2.6335 2.6466 2.6664 2.6716 3.0739 3.0774 3.0965 3.1132 3.6507 3.6574 3.8365 3.8605 3.9161 3.9375 3.9958 4.0358 4.0837 4.0879 4.1537 4.1665 4.4635 4.4936 4.5096 4.5467 4.5669 4.6202 4.6434 4.6488 4.7712 4.8111 5.0990 5.2017 5.4358 5.4704 5.6974 5.7223 5.7952 5.8083 7.3973 7.4147 7.4870 7.4987 7.6772 7.6928 7.8419 7.8431 7.9507 7.9619 10.9573 10.9581 11.6171 11.6197 k = 0.1786 0.5000 0.1786 ( 5938 PWs) bands (ev): -58.3900 -58.3900 -32.7825 -32.7825 -31.9538 -31.9538 -31.9534 -31.9534 -6.7712 -6.7706 -6.5274 -6.5272 -6.1995 -6.1976 -6.1855 -6.1846 1.1710 1.1803 1.3561 1.3595 1.5088 1.5140 1.8232 1.8329 2.2113 2.2264 2.2808 2.2848 2.4019 2.4167 2.4501 2.4550 2.6415 2.6533 2.6748 2.6795 3.0904 3.0961 3.1094 3.1277 3.6426 3.6483 3.8327 3.8567 3.9143 3.9321 3.9967 4.0285 4.0822 4.0890 4.1580 4.1700 4.4628 4.4816 4.4875 4.5504 4.5523 4.6275 4.6432 4.6512 4.7877 4.8296 5.1169 5.2183 5.3888 5.4256 5.6898 5.7175 5.7954 5.8070 7.3761 7.3937 7.4900 7.5019 7.6728 7.6895 7.8233 7.8249 7.9363 7.9476 10.9700 10.9711 11.6489 11.6530 k = 0.1667 0.5000 0.1667 ( 5930 PWs) bands (ev): -58.3900 -58.3900 -32.7825 -32.7825 -31.9538 -31.9538 -31.9534 -31.9534 -6.7841 -6.7835 -6.5345 -6.5343 -6.1894 -6.1877 -6.1770 -6.1762 1.1707 1.1798 1.3656 1.3689 1.5247 1.5302 1.8273 1.8371 2.2045 2.2197 2.2789 2.2815 2.3966 2.4129 2.4401 2.4446 2.6498 2.6604 2.6832 2.6874 3.1076 3.1154 3.1229 3.1429 3.6347 3.6395 3.8288 3.8532 3.9130 3.9275 3.9971 4.0213 4.0803 4.0905 4.1611 4.1720 4.4594 4.4606 4.4718 4.5313 4.5611 4.6287 4.6486 4.6597 4.8052 4.8486 5.1340 5.2327 5.3423 5.3811 5.6850 5.7153 5.7964 5.8068 7.3551 7.3728 7.4934 7.5054 7.6687 7.6861 7.8070 7.8088 7.9224 7.9336 10.9799 10.9815 11.6700 11.6761 k = 0.1548 0.5000 0.1548 ( 5942 PWs) bands (ev): -58.3900 -58.3900 -32.7825 -32.7825 -31.9538 -31.9538 -31.9534 -31.9534 -6.7963 -6.7957 -6.5413 -6.5411 -6.1798 -6.1781 -6.1688 -6.1680 1.1694 1.1782 1.3738 1.3770 1.5389 1.5448 1.8305 1.8401 2.1989 2.2141 2.2780 2.2793 2.3915 2.4092 2.4313 2.4357 2.6580 2.6675 2.6916 2.6950 3.1254 3.1350 3.1370 3.1586 3.6269 3.6308 3.8250 3.8499 3.9121 3.9238 3.9972 4.0142 4.0779 4.0921 4.1629 4.1723 4.4331 4.4572 4.4586 4.5102 4.5715 4.6288 4.6593 4.6687 4.8231 4.8675 5.1499 5.2436 5.2974 5.3371 5.6831 5.7159 5.7982 5.8072 7.3348 7.3522 7.4972 7.5092 7.6642 7.6817 7.7939 7.7956 7.9088 7.9199 10.9873 10.9893 11.6777 11.6864 k = 0.1429 0.5000 0.1429 ( 5934 PWs) bands (ev): -58.3900 -58.3900 -32.7825 -32.7825 -31.9538 -31.9538 -31.9534 -31.9534 -6.8077 -6.8072 -6.5477 -6.5476 -6.1705 -6.1689 -6.1610 -6.1602 1.1672 1.1757 1.3807 1.3838 1.5517 1.5576 1.8327 1.8420 2.1946 2.2096 2.2782 2.2784 2.3866 2.4057 2.4237 2.4282 2.6660 2.6745 2.6998 2.7025 3.1434 3.1518 3.1545 3.1749 3.6191 3.6224 3.8215 3.8470 3.9115 3.9213 3.9966 4.0078 4.0751 4.0940 4.1630 4.1713 4.4064 4.4457 4.4527 4.4879 4.5829 4.6313 4.6715 4.6781 4.8412 4.8858 5.1640 5.2393 5.2662 5.2943 5.6843 5.7194 5.8005 5.8081 7.3154 7.3321 7.5013 7.5132 7.6585 7.6753 7.7846 7.7858 7.8958 7.9067 10.9920 10.9943 11.6703 11.6816 k = 0.1310 0.5000 0.1310 ( 5938 PWs) bands (ev): -58.3901 -58.3901 -32.7825 -32.7825 -31.9537 -31.9537 -31.9533 -31.9533 -6.8184 -6.8180 -6.5539 -6.5537 -6.1618 -6.1603 -6.1536 -6.1529 1.1644 1.1724 1.3865 1.3894 1.5630 1.5689 1.8341 1.8430 2.1915 2.2059 2.2788 2.2795 2.3822 2.4023 2.4172 2.4219 2.6736 2.6811 2.7076 2.7096 3.1613 3.1673 3.1739 3.1916 3.6111 3.6140 3.8186 3.8443 3.9111 3.9201 3.9948 4.0028 4.0715 4.0961 4.1613 4.1689 4.3799 4.4334 4.4470 4.4653 4.5951 4.6360 4.6845 4.6878 4.8590 4.9030 5.1755 5.2013 5.2533 5.2669 5.6886 5.7255 5.8031 5.8094 7.2969 7.3129 7.5056 7.5172 7.6512 7.6666 7.7796 7.7798 7.8834 7.8941 10.9940 10.9967 11.6479 11.6615 k = 0.1190 0.5000 0.1190 ( 5932 PWs) bands (ev): -58.3900 -58.3900 -32.7825 -32.7825 -31.9537 -31.9537 -31.9533 -31.9533 -6.8284 -6.8279 -6.5596 -6.5594 -6.1536 -6.1522 -6.1467 -6.1460 1.1610 1.1685 1.3911 1.3939 1.5728 1.5786 1.8348 1.8430 2.1893 2.2030 2.2803 2.2818 2.3783 2.3989 2.4119 2.4167 2.6808 2.6873 2.7149 2.7164 3.1785 3.1840 3.1929 3.2086 3.6029 3.6057 3.8165 3.8419 3.9107 3.9203 3.9912 3.9998 4.0672 4.0984 4.1576 4.1657 4.3540 4.4222 4.4365 4.4466 4.6081 4.6430 4.6980 4.6981 4.8762 4.9187 5.1594 5.1808 5.2181 5.2705 5.6958 5.7341 5.8060 5.8109 7.2797 7.2947 7.5099 7.5213 7.6423 7.6561 7.7775 7.7783 7.8717 7.8820 10.9935 10.9965 11.6139 11.6286 k = 0.1071 0.5000 0.1071 ( 5928 PWs) bands (ev): -58.3900 -58.3900 -32.7825 -32.7825 -31.9537 -31.9537 -31.9533 -31.9533 -6.8375 -6.8371 -6.5648 -6.5647 -6.1460 -6.1447 -6.1402 -6.1396 1.1572 1.1642 1.3948 1.3974 1.5813 1.5868 1.8348 1.8424 2.1879 2.2008 2.2830 2.2850 2.3750 2.3954 2.4076 2.4123 2.6875 2.6930 2.7216 2.7226 3.1951 3.2015 3.2114 3.2254 3.5943 3.5974 3.8155 3.8398 3.9107 3.9219 3.9867 3.9981 4.0621 4.1007 4.1522 4.1621 4.3289 4.4123 4.4152 4.4383 4.6217 4.6517 4.7084 4.7120 4.8923 4.9327 5.1186 5.1623 5.2060 5.2720 5.7056 5.7446 5.8091 5.8125 7.2638 7.2777 7.5143 7.5251 7.6324 7.6444 7.7781 7.7798 7.8607 7.8705 10.9906 10.9937 11.5729 11.5879 k = 0.0952 0.5000 0.0952 ( 5924 PWs) bands (ev): -58.3900 -58.3900 -32.7824 -32.7824 -31.9537 -31.9537 -31.9533 -31.9533 -6.8457 -6.8453 -6.5696 -6.5695 -6.1390 -6.1379 -6.1344 -6.1338 1.1533 1.1596 1.3977 1.4000 1.5886 1.5937 1.8343 1.8411 2.1873 2.1991 2.2867 2.2889 2.3724 2.3920 2.4042 2.4087 2.6936 2.6982 2.7276 2.7283 3.2112 3.2191 3.2293 3.2416 3.5854 3.5891 3.8156 3.8379 3.9114 3.9245 3.9824 3.9965 4.0561 4.1024 4.1454 4.1584 4.3049 4.3918 4.4040 4.4318 4.6360 4.6618 4.7188 4.7263 4.9070 4.9447 5.0800 5.1286 5.2091 5.2713 5.7176 5.7565 5.8123 5.8141 7.2494 7.2620 7.5185 7.5288 7.6221 7.6324 7.7809 7.7832 7.8507 7.8598 10.9854 10.9886 11.5293 11.5439 k = 0.0833 0.5000 0.0833 ( 5942 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9537 -31.9537 -31.9533 -31.9533 -6.8530 -6.8527 -6.5740 -6.5739 -6.1328 -6.1318 -6.1291 -6.1286 1.1493 1.1549 1.3998 1.4019 1.5947 1.5994 1.8335 1.8394 2.1872 2.1978 2.2910 2.2934 2.3702 2.3886 2.4015 2.4056 2.6991 2.7028 2.7328 2.7333 3.2270 3.2362 3.2463 3.2568 3.5762 3.5806 3.8167 3.8364 3.9129 3.9279 3.9785 3.9947 4.0494 4.1022 4.1387 4.1550 4.2827 4.3682 4.3973 4.4256 4.6510 4.6730 4.7287 4.7406 4.9196 4.9546 5.0443 5.0945 5.2128 5.2685 5.7310 5.7689 5.8155 5.8158 7.2364 7.2477 7.5223 7.5319 7.6121 7.6209 7.7851 7.7876 7.8416 7.8499 10.9784 10.9816 11.4867 11.5004 k = 0.0714 0.5000 0.0714 ( 5936 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9537 -31.9537 -31.9533 -31.9533 -6.8594 -6.8591 -6.5777 -6.5777 -6.1272 -6.1264 -6.1244 -6.1240 1.1456 1.1505 1.4014 1.4032 1.5998 1.6039 1.8325 1.8375 2.1875 2.1968 2.2958 2.2983 2.3686 2.3853 2.3995 2.4029 2.7039 2.7068 2.7374 2.7378 3.2424 3.2524 3.2622 3.2707 3.5671 3.5722 3.8186 3.8352 3.9158 3.9322 3.9753 3.9926 4.0423 4.0979 4.1348 4.1522 4.2628 4.3449 4.3923 4.4196 4.6665 4.6850 4.7380 4.7546 4.9292 4.9621 5.0130 5.0625 5.2157 5.2642 5.7452 5.7811 5.8176 5.8188 7.2251 7.2349 7.5258 7.5344 7.6031 7.6105 7.7901 7.7925 7.8335 7.8409 10.9700 10.9730 11.4475 11.4598 k = 0.0595 0.5000 0.0595 ( 5930 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9537 -31.9537 -31.9533 -31.9532 -6.8649 -6.8646 -6.5810 -6.5809 -6.1225 -6.1218 -6.1204 -6.1200 1.1422 1.1463 1.4025 1.4040 1.6039 1.6075 1.8314 1.8355 2.1881 2.1960 2.3007 2.3032 2.3674 2.3821 2.3978 2.4007 2.7080 2.7102 2.7413 2.7415 3.2570 3.2673 3.2766 3.2828 3.5583 3.5640 3.8211 3.8342 3.9201 3.9372 3.9725 3.9901 4.0351 4.0883 4.1351 4.1501 4.2458 4.3222 4.3890 4.4137 4.6827 4.6974 4.7461 4.7678 4.9327 4.9665 4.9895 5.0340 5.2177 5.2587 5.7592 5.7917 5.8198 5.8221 7.2155 7.2238 7.5287 7.5362 7.5954 7.6015 7.7953 7.7973 7.8267 7.8329 10.9608 10.9635 11.4133 11.4240 k = 0.0476 0.5000 0.0476 ( 5930 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9537 -31.9537 -31.9532 -31.9532 -6.8694 -6.8692 -6.5836 -6.5836 -6.1186 -6.1181 -6.1171 -6.1167 1.1392 1.1426 1.4033 1.4045 1.6073 1.6102 1.8303 1.8336 2.1889 2.1954 2.3054 2.3078 2.3667 2.3790 2.3965 2.3988 2.7115 2.7130 2.7444 2.7446 3.2706 3.2806 3.2891 3.2928 3.5503 3.5561 3.8237 3.8335 3.9257 3.9431 3.9699 3.9872 4.0284 4.0748 4.1383 4.1487 4.2325 4.3003 4.3870 4.4082 4.6994 4.7098 4.7525 4.7792 4.9254 4.9656 4.9794 5.0115 5.2193 5.2525 5.7720 5.7997 5.8230 5.8255 7.2077 7.2144 7.5309 7.5371 7.5893 7.5942 7.8002 7.8016 7.8212 7.8260 10.9516 10.9538 11.3850 11.3938 k = 0.0357 0.5000 0.0357 ( 5914 PWs) bands (ev): -58.3900 -58.3900 -32.7824 -32.7824 -31.9537 -31.9537 -31.9532 -31.9532 -6.8729 -6.8727 -6.5857 -6.5857 -6.1155 -6.1152 -6.1144 -6.1141 1.1370 1.1395 1.4038 1.4047 1.6099 1.6121 1.8295 1.8320 2.1899 2.1948 2.3097 2.3117 2.3664 2.3761 2.3955 2.3972 2.7142 2.7153 2.7469 2.7470 3.2825 3.2920 3.2985 3.3008 3.5436 3.5490 3.8262 3.8329 3.9326 3.9498 3.9672 3.9841 4.0228 4.0598 4.1425 4.1481 4.2238 4.2799 4.3864 4.4031 4.7164 4.7216 4.7569 4.7873 4.9120 4.9557 4.9798 4.9990 5.2210 5.2461 5.7831 5.8042 5.8271 5.8288 7.2018 7.2068 7.5324 7.5371 7.5851 7.5888 7.8045 7.8050 7.8172 7.8202 10.9433 10.9450 11.3631 11.3699 k = 0.0238 0.5000 0.0238 ( 5926 PWs) bands (ev): -58.3901 -58.3901 -32.7824 -32.7824 -31.9537 -31.9537 -31.9532 -31.9532 -6.8754 -6.8753 -6.5872 -6.5872 -6.1133 -6.1131 -6.1124 -6.1122 1.1354 1.1370 1.4042 1.4048 1.6118 1.6133 1.8289 1.8305 2.1908 2.1941 2.3133 2.3147 2.3667 2.3734 2.3949 2.3960 2.7161 2.7168 2.7486 2.7487 3.2924 3.3012 3.3038 3.3073 3.5387 3.5429 3.8282 3.8323 3.9399 3.9574 3.9637 3.9809 4.0192 4.0449 4.1460 4.1480 4.2205 4.2611 4.3869 4.3984 4.7322 4.7328 4.7595 4.7894 4.9023 4.9392 4.9833 4.9944 5.2230 5.2400 5.7919 5.8057 5.8312 5.8318 7.1977 7.2011 7.5333 7.5365 7.5825 7.5850 7.8073 7.8079 7.8147 7.8158 10.9367 10.9379 11.3479 11.3524 k = 0.0119 0.5000 0.0119 ( 5918 PWs) bands (ev): -58.3900 -58.3900 -32.7824 -32.7824 -31.9537 -31.9537 -31.9532 -31.9532 -6.8769 -6.8768 -6.5881 -6.5881 -6.1121 -6.1120 -6.1112 -6.1110 1.1345 1.1354 1.4044 1.4047 1.6131 1.6138 1.8287 1.8295 2.1917 2.1934 2.3157 2.3165 2.3676 2.3710 2.3946 2.3952 2.7174 2.7177 2.7496 2.7497 3.2997 3.3055 3.3076 3.3109 3.5361 3.5384 3.8298 3.8318 3.9471 3.9593 3.9654 3.9773 4.0187 4.0318 4.1480 4.1483 4.2234 4.2448 4.3885 4.3944 4.7410 4.7452 4.7629 4.7840 4.9013 4.9224 4.9870 4.9922 5.2259 5.2344 5.7983 5.8051 5.8340 5.8341 7.1956 7.1973 7.5341 7.5357 7.5814 7.5827 7.8085 7.8099 7.8131 7.8136 10.9326 10.9331 11.3392 11.3415 k = 0.0000 0.5000-0.0000 ( 5910 PWs) bands (ev): -58.3900 -58.3900 -32.7824 -32.7824 -31.9537 -31.9537 -31.9532 -31.9532 -6.8773 -6.8773 -6.5884 -6.5884 -6.1116 -6.1116 -6.1107 -6.1107 1.1346 1.1346 1.4046 1.4046 1.6138 1.6138 1.8289 1.8289 2.1926 2.1926 2.3168 2.3168 2.3690 2.3690 2.3947 2.3947 2.7179 2.7179 2.7500 2.7500 3.3042 3.3042 3.3110 3.3110 3.5361 3.5361 3.8310 3.8310 3.9537 3.9537 3.9723 3.9723 4.0227 4.0227 4.1486 4.1486 4.2319 4.2319 4.3910 4.3910 4.7466 4.7466 4.7731 4.7731 4.9089 4.9089 4.9900 4.9900 5.2297 5.2297 5.8027 5.8027 5.8349 5.8349 7.1955 7.1955 7.5348 7.5348 7.5815 7.5815 7.8095 7.8095 7.8130 7.8130 10.9313 10.9313 11.3371 11.3371 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9540 -31.9540 -31.9535 -31.9535 -6.5702 -6.5702 -6.4250 -6.4250 -6.4199 -6.4199 -6.2748 -6.2748 1.3240 1.3240 1.3768 1.3768 1.3830 1.3830 2.1002 2.1002 2.2699 2.2699 2.2735 2.2735 2.2996 2.2996 2.4059 2.4059 2.5032 2.5032 2.6962 2.6962 2.8980 2.8980 2.8999 2.8999 3.7494 3.7494 3.9134 3.9134 3.9180 3.9180 4.0469 4.0469 4.0829 4.0829 4.1649 4.1649 4.2756 4.2756 4.6479 4.6479 4.7145 4.7145 4.7352 4.7352 4.7737 4.7737 4.9341 4.9341 5.4523 5.4523 5.4547 5.4547 6.0195 6.0195 7.4729 7.4729 7.4826 7.4826 7.7186 7.7186 7.9835 7.9835 7.9921 7.9921 11.6134 11.6134 11.6154 11.6154 k = 0.5000 0.5000 0.0167 ( 5912 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9540 -31.9540 -31.9535 -31.9535 -6.5700 -6.5700 -6.4250 -6.4250 -6.4198 -6.4198 -6.2750 -6.2750 1.3230 1.3230 1.3755 1.3755 1.3817 1.3817 2.0955 2.0955 2.2709 2.2709 2.2742 2.2742 2.3018 2.3018 2.4062 2.4062 2.5058 2.5058 2.6960 2.6960 2.8979 2.8979 2.9001 2.9001 3.7498 3.7498 3.9134 3.9134 3.9178 3.9178 4.0471 4.0471 4.0829 4.0829 4.1642 4.1642 4.2757 4.2757 4.6459 4.6459 4.7156 4.7156 4.7358 4.7358 4.7744 4.7744 4.9337 4.9337 5.4515 5.4515 5.4587 5.4587 6.0201 6.0201 7.4586 7.4586 7.4985 7.4985 7.7184 7.7184 7.9841 7.9841 7.9927 7.9927 11.6099 11.6099 11.6119 11.6119 k = 0.5000 0.5000 0.0333 ( 5940 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9540 -31.9540 -31.9535 -31.9535 -6.5692 -6.5692 -6.4248 -6.4248 -6.4197 -6.4197 -6.2754 -6.2754 1.3202 1.3202 1.3715 1.3715 1.3778 1.3778 2.0823 2.0823 2.2737 2.2737 2.2765 2.2765 2.3077 2.3077 2.4069 2.4069 2.5134 2.5134 2.6951 2.6951 2.8977 2.8977 2.9006 2.9006 3.7511 3.7511 3.9133 3.9133 3.9173 3.9173 4.0474 4.0474 4.0826 4.0826 4.1621 4.1621 4.2761 4.2761 4.6407 4.6407 4.7174 4.7174 4.7384 4.7384 4.7764 4.7764 4.9327 4.9327 5.4533 5.4533 5.4668 5.4668 6.0218 6.0218 7.4420 7.4420 7.5197 7.5197 7.7177 7.7177 7.9859 7.9859 7.9944 7.9944 11.5995 11.5995 11.6014 11.6014 k = 0.5000 0.5000 0.0500 ( 5940 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9540 -31.9540 -31.9535 -31.9535 -6.5678 -6.5678 -6.4246 -6.4246 -6.4194 -6.4194 -6.2760 -6.2760 1.3154 1.3154 1.3650 1.3650 1.3713 1.3713 2.0625 2.0625 2.2784 2.2784 2.2803 2.2803 2.3158 2.3158 2.4081 2.4081 2.5256 2.5256 2.6939 2.6939 2.8976 2.8976 2.9013 2.9013 3.7533 3.7533 3.9123 3.9123 3.9173 3.9173 4.0481 4.0481 4.0822 4.0822 4.1588 4.1588 4.2768 4.2768 4.6335 4.6335 4.7178 4.7178 4.7442 4.7442 4.7791 4.7791 4.9310 4.9310 5.4585 5.4585 5.4782 5.4782 6.0246 6.0246 7.4269 7.4269 7.5425 7.5425 7.7166 7.7166 7.9890 7.9890 7.9974 7.9974 11.5822 11.5822 11.5840 11.5840 k = 0.5000 0.5000 0.0667 ( 5948 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9540 -31.9540 -31.9535 -31.9535 -6.5660 -6.5660 -6.4242 -6.4242 -6.4191 -6.4191 -6.2770 -6.2770 1.3089 1.3089 1.3562 1.3562 1.3625 1.3625 2.0379 2.0379 2.2847 2.2847 2.2856 2.2856 2.3250 2.3250 2.4097 2.4097 2.5416 2.5416 2.6921 2.6921 2.8975 2.8975 2.9022 2.9022 3.7561 3.7561 3.9103 3.9103 3.9181 3.9181 4.0489 4.0489 4.0816 4.0816 4.1546 4.1546 4.2778 4.2778 4.6252 4.6252 4.7163 4.7163 4.7528 4.7528 4.7819 4.7819 4.9287 4.9287 5.4673 5.4673 5.4928 5.4928 6.0285 6.0285 7.4136 7.4136 7.5667 7.5667 7.7151 7.7151 7.9931 7.9931 8.0015 8.0015 11.5582 11.5582 11.5599 11.5599 k = 0.5000 0.5000 0.0833 ( 5944 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9540 -31.9540 -31.9535 -31.9535 -6.5636 -6.5636 -6.4237 -6.4237 -6.4187 -6.4187 -6.2782 -6.2782 1.3007 1.3007 1.3452 1.3452 1.3515 1.3515 2.0102 2.0102 2.2921 2.2921 2.2928 2.2928 2.3347 2.3347 2.4117 2.4117 2.5606 2.5606 2.6898 2.6898 2.8975 2.8975 2.9033 2.9033 3.7597 3.7597 3.9076 3.9076 3.9196 3.9196 4.0499 4.0499 4.0810 4.0810 4.1495 4.1495 4.2791 4.2791 4.6166 4.6166 4.7137 4.7137 4.7628 4.7628 4.7844 4.7844 4.9258 4.9258 5.4799 5.4799 5.5104 5.5104 6.0335 6.0335 7.4021 7.4021 7.5920 7.5920 7.7133 7.7133 7.9984 7.9984 8.0067 8.0067 11.5278 11.5278 11.5295 11.5295 k = 0.5000 0.5000 0.1000 ( 5960 PWs) bands (ev): -58.3900 -58.3900 -32.7826 -32.7826 -31.9540 -31.9540 -31.9535 -31.9535 -6.5608 -6.5608 -6.4231 -6.4231 -6.4181 -6.4181 -6.2796 -6.2796 1.2909 1.2909 1.3323 1.3323 1.3385 1.3385 1.9803 1.9803 2.2999 2.2999 2.3020 2.3020 2.3444 2.3444 2.4141 2.4141 2.5817 2.5817 2.6870 2.6870 2.8975 2.8975 2.9044 2.9044 3.7639 3.7639 3.9044 3.9044 3.9215 3.9215 4.0510 4.0510 4.0801 4.0801 4.1440 4.1440 4.2807 4.2807 4.6078 4.6078 4.7102 4.7102 4.7730 4.7730 4.7862 4.7862 4.9223 4.9223 5.4962 5.4962 5.5311 5.5311 6.0394 6.0394 7.3926 7.3926 7.6183 7.6183 7.7112 7.7112 8.0047 8.0047 8.0128 8.0128 11.4914 11.4914 11.4930 11.4930 k = 0.5000 0.5000 0.1167 ( 5948 PWs) bands (ev): -58.3900 -58.3900 -32.7827 -32.7827 -31.9540 -31.9540 -31.9535 -31.9535 -6.5574 -6.5574 -6.4225 -6.4225 -6.4175 -6.4175 -6.2813 -6.2813 1.2796 1.2796 1.3176 1.3176 1.3239 1.3239 1.9492 1.9492 2.3086 2.3086 2.3124 2.3124 2.3544 2.3544 2.4169 2.4169 2.6042 2.6042 2.6839 2.6839 2.8976 2.8976 2.9058 2.9058 3.7687 3.7687 3.9012 3.9012 3.9237 3.9237 4.0522 4.0522 4.0790 4.0790 4.1383 4.1383 4.2828 4.2828 4.5993 4.5993 4.7061 4.7061 4.7814 4.7814 4.7887 4.7887 4.9184 4.9184 5.5163 5.5163 5.5547 5.5547 6.0463 6.0463 7.3851 7.3851 7.6451 7.6451 7.7094 7.7094 8.0118 8.0118 8.0199 8.0199 11.4494 11.4494 11.4510 11.4510 k = 0.5000 0.5000 0.1333 ( 5940 PWs) bands (ev): -58.3900 -58.3900 -32.7827 -32.7827 -31.9540 -31.9540 -31.9536 -31.9536 -6.5536 -6.5536 -6.4217 -6.4217 -6.4169 -6.4169 -6.2834 -6.2834 1.2670 1.2670 1.3016 1.3016 1.3078 1.3078 1.9175 1.9175 2.3180 2.3180 2.3238 2.3238 2.3645 2.3645 2.4201 2.4201 2.6273 2.6273 2.6803 2.6803 2.8977 2.8977 2.9072 2.9072 3.7738 3.7738 3.8981 3.8981 3.9263 3.9263 4.0534 4.0534 4.0777 4.0777 4.1327 4.1327 4.2852 4.2852 4.5910 4.5910 4.7012 4.7012 4.7828 4.7828 4.7962 4.7962 4.9140 4.9140 5.5401 5.5401 5.5812 5.5812 6.0540 6.0540 7.3798 7.3798 7.6708 7.6708 7.7091 7.7091 8.0198 8.0198 8.0277 8.0277 11.4023 11.4023 11.4041 11.4041 k = 0.5000 0.5000 0.1500 ( 5940 PWs) bands (ev): -58.3900 -58.3900 -32.7827 -32.7827 -31.9540 -31.9540 -31.9536 -31.9536 -6.5493 -6.5493 -6.4209 -6.4209 -6.4161 -6.4161 -6.2856 -6.2856 1.2534 1.2534 1.2843 1.2843 1.2905 1.2905 1.8854 1.8854 2.3278 2.3278 2.3358 2.3358 2.3749 2.3749 2.4238 2.4238 2.6504 2.6504 2.6763 2.6763 2.8979 2.8979 2.9087 2.9087 3.7789 3.7789 3.8953 3.8953 3.9290 3.9290 4.0547 4.0547 4.0761 4.0761 4.1273 4.1273 4.2882 4.2882 4.5831 4.5831 4.6957 4.6957 4.7804 4.7804 4.8052 4.8052 4.9093 4.9093 5.5675 5.5675 5.6104 5.6104 6.0625 6.0625 7.3767 7.3767 7.6878 7.6878 7.7180 7.7180 8.0284 8.0284 8.0362 8.0362 11.3510 11.3510 11.3530 11.3530 k = 0.5000 0.5000 0.1667 ( 5948 PWs) bands (ev): -58.3900 -58.3900 -32.7827 -32.7827 -31.9540 -31.9540 -31.9536 -31.9536 -6.5446 -6.5446 -6.4200 -6.4200 -6.4153 -6.4153 -6.2882 -6.2882 1.2387 1.2387 1.2662 1.2662 1.2723 1.2723 1.8535 1.8535 2.3380 2.3380 2.3483 2.3483 2.3856 2.3856 2.4279 2.4279 2.6697 2.6697 2.6756 2.6756 2.8981 2.8981 2.9103 2.9103 3.7838 3.7838 3.8933 3.8933 3.9319 3.9319 4.0557 4.0557 4.0743 4.0743 4.1224 4.1224 4.2916 4.2916 4.5756 4.5756 4.6893 4.6893 4.7758 4.7758 4.8134 4.8134 4.9043 4.9043 5.5981 5.5981 5.6422 5.6422 6.0717 6.0717 7.3759 7.3759 7.6901 7.6901 7.7420 7.7420 8.0376 8.0376 8.0452 8.0452 11.2961 11.2961 11.2983 11.2983 k = 0.5000 0.5000 0.1833 ( 5940 PWs) bands (ev): -58.3900 -58.3900 -32.7827 -32.7827 -31.9540 -31.9540 -31.9536 -31.9536 -6.5394 -6.5394 -6.4190 -6.4190 -6.4145 -6.4145 -6.2910 -6.2910 1.2233 1.2233 1.2473 1.2473 1.2534 1.2534 1.8220 1.8220 2.3483 2.3483 2.3611 2.3611 2.3966 2.3966 2.4325 2.4325 2.6665 2.6665 2.6965 2.6965 2.8983 2.8983 2.9120 2.9120 3.7884 3.7884 3.8923 3.8923 3.9350 3.9350 4.0567 4.0567 4.0723 4.0723 4.1183 4.1183 4.2955 4.2955 4.5686 4.5686 4.6822 4.6822 4.7696 4.7696 4.8205 4.8205 4.8991 4.8991 5.6316 5.6316 5.6762 5.6762 6.0815 6.0815 7.3775 7.3775 7.6875 7.6875 7.7711 7.7711 8.0471 8.0471 8.0546 8.0546 11.2383 11.2383 11.2408 11.2408 k = 0.5000 0.5000 0.2000 ( 5956 PWs) bands (ev): -58.3900 -58.3900 -32.7827 -32.7827 -31.9540 -31.9540 -31.9536 -31.9536 -6.5339 -6.5339 -6.4180 -6.4180 -6.4136 -6.4136 -6.2942 -6.2942 1.2072 1.2072 1.2281 1.2281 1.2341 1.2341 1.7911 1.7911 2.3585 2.3585 2.3740 2.3740 2.4079 2.4079 2.4376 2.4376 2.6616 2.6616 2.7181 2.7181 2.8985 2.8985 2.9137 2.9137 3.7922 3.7922 3.8925 3.8925 3.9381 3.9381 4.0573 4.0573 4.0703 4.0703 4.1148 4.1148 4.2999 4.2999 4.5620 4.5620 4.6743 4.6743 4.7618 4.7618 4.8259 4.8259 4.8939 4.8939 5.6677 5.6677 5.7122 5.7122 6.0918 6.0918 7.3813 7.3813 7.6836 7.6836 7.8016 7.8016 8.0569 8.0569 8.0643 8.0643 11.1785 11.1785 11.1813 11.1813 k = 0.5000 0.5000 0.2167 ( 5952 PWs) bands (ev): -58.3900 -58.3900 -32.7827 -32.7827 -31.9540 -31.9540 -31.9537 -31.9537 -6.5280 -6.5280 -6.4170 -6.4170 -6.4127 -6.4127 -6.2976 -6.2976 1.1908 1.1908 1.2087 1.2087 1.2146 1.2146 1.7610 1.7610 2.3686 2.3686 2.3868 2.3868 2.4195 2.4195 2.4433 2.4433 2.6562 2.6562 2.7388 2.7388 2.8987 2.8987 2.9155 2.9155 3.7951 3.7951 3.8942 3.8942 3.9413 3.9413 4.0571 4.0571 4.0690 4.0690 4.1121 4.1121 4.3048 4.3048 4.5560 4.5560 4.6658 4.6658 4.7527 4.7527 4.8296 4.8296 4.8888 4.8888 5.7060 5.7060 5.7499 5.7499 6.1025 6.1025 7.3874 7.3874 7.6791 7.6791 7.8326 7.8326 8.0669 8.0669 8.0741 8.0741 11.1174 11.1174 11.1205 11.1205 k = 0.5000 0.5000 0.2333 ( 5952 PWs) bands (ev): -58.3900 -58.3900 -32.7827 -32.7827 -31.9540 -31.9540 -31.9537 -31.9537 -6.5217 -6.5217 -6.4160 -6.4160 -6.4118 -6.4118 -6.3013 -6.3013 1.1742 1.1742 1.1893 1.1893 1.1951 1.1951 1.7319 1.7319 2.3784 2.3784 2.3993 2.3993 2.4312 2.4312 2.4495 2.4495 2.6505 2.6505 2.7584 2.7584 2.8989 2.8989 2.9174 2.9174 3.7970 3.7970 3.8975 3.8975 3.9445 3.9445 4.0557 4.0557 4.0688 4.0688 4.1100 4.1100 4.3102 4.3102 4.5505 4.5505 4.6567 4.6567 4.7424 4.7424 4.8313 4.8313 4.8839 4.8839 5.7460 5.7460 5.7889 5.7889 6.1134 6.1134 7.3959 7.3959 7.6742 7.6742 7.8637 7.8637 8.0768 8.0768 8.0838 8.0838 11.0557 11.0557 11.0591 11.0591 k = 0.5000 0.5000 0.2500 ( 5952 PWs) bands (ev): -58.3900 -58.3900 -32.7827 -32.7827 -31.9540 -31.9540 -31.9537 -31.9537 -6.5151 -6.5151 -6.4149 -6.4149 -6.4108 -6.4108 -6.3053 -6.3053 1.1575 1.1575 1.1702 1.1702 1.1759 1.1759 1.7040 1.7040 2.3879 2.3879 2.4114 2.4114 2.4430 2.4430 2.4562 2.4562 2.6446 2.6446 2.7768 2.7768 2.8991 2.8991 2.9192 2.9192 3.7980 3.7980 3.9023 3.9023 3.9476 3.9476 4.0533 4.0533 4.0696 4.0696 4.1084 4.1084 4.3160 4.3160 4.5456 4.5456 4.6472 4.6472 4.7311 4.7311 4.8312 4.8312 4.8792 4.8792 5.7871 5.7871 5.8288 5.8288 6.1245 6.1245 7.4064 7.4064 7.6691 7.6691 7.8945 7.8945 8.0865 8.0865 8.0934 8.0934 10.9941 10.9941 10.9978 10.9978 k = 0.5000 0.5000 0.2667 ( 5940 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9540 -31.9540 -31.9537 -31.9537 -6.5082 -6.5082 -6.4138 -6.4138 -6.4099 -6.4099 -6.3096 -6.3096 1.1410 1.1410 1.1515 1.1515 1.1571 1.1571 1.6773 1.6773 2.3970 2.3970 2.4230 2.4230 2.4548 2.4548 2.4636 2.4636 2.6386 2.6386 2.7940 2.7940 2.8993 2.8993 2.9211 2.9211 3.7981 3.7981 3.9085 3.9085 3.9506 3.9506 4.0505 4.0505 4.0711 4.0711 4.1073 4.1073 4.3222 4.3222 4.5413 4.5413 4.6373 4.6373 4.7192 4.7192 4.8292 4.8292 4.8745 4.8745 5.8290 5.8290 5.8693 5.8693 6.1357 6.1357 7.4190 7.4190 7.6639 7.6639 7.9249 7.9249 8.0960 8.0960 8.1027 8.1027 10.9333 10.9333 10.9372 10.9372 k = 0.5000 0.5000 0.2833 ( 5932 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9540 -31.9540 -31.9538 -31.9538 -6.5011 -6.5011 -6.4127 -6.4127 -6.4090 -6.4090 -6.3141 -6.3141 1.1247 1.1247 1.1335 1.1335 1.1389 1.1389 1.6521 1.6521 2.4057 2.4057 2.4338 2.4338 2.4662 2.4662 2.4715 2.4715 2.6324 2.6324 2.8098 2.8098 2.8994 2.8994 2.9230 2.9230 3.7976 3.7976 3.9157 3.9157 3.9535 3.9535 4.0475 4.0475 4.0731 4.0731 4.1064 4.1064 4.3286 4.3286 4.5375 4.5375 4.6274 4.6274 4.7068 4.7068 4.8259 4.8259 4.8696 4.8696 5.8712 5.8712 5.9097 5.9097 6.1468 6.1468 7.4335 7.4335 7.6586 7.6586 7.9544 7.9544 8.1050 8.1050 8.1116 8.1116 10.8739 10.8739 10.8780 10.8780 k = 0.5000 0.5000 0.3000 ( 5924 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9540 -31.9540 -31.9538 -31.9538 -6.4937 -6.4937 -6.4117 -6.4117 -6.4081 -6.4081 -6.3190 -6.3190 1.1090 1.1090 1.1162 1.1162 1.1214 1.1214 1.6283 1.6283 2.4140 2.4140 2.4440 2.4440 2.4766 2.4766 2.4804 2.4804 2.6260 2.6260 2.8243 2.8243 2.8996 2.8996 2.9250 2.9250 3.7967 3.7967 3.9237 3.9237 3.9561 3.9561 4.0446 4.0446 4.0753 4.0753 4.1058 4.1058 4.3352 4.3352 4.5344 4.5344 4.6174 4.6174 4.6942 4.6942 4.8215 4.8215 4.8641 4.8641 5.9130 5.9130 5.9498 5.9498 6.1578 6.1578 7.4495 7.4495 7.6534 7.6534 7.9829 7.9829 8.1135 8.1135 8.1199 8.1199 10.8165 10.8165 10.8208 10.8208 k = 0.5000 0.5000 0.3167 ( 5944 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9540 -31.9540 -31.9538 -31.9538 -6.4862 -6.4862 -6.4107 -6.4107 -6.4072 -6.4072 -6.3241 -6.3241 1.0938 1.0938 1.0998 1.0998 1.1048 1.1048 1.6061 1.6061 2.4218 2.4218 2.4532 2.4532 2.4856 2.4856 2.4905 2.4905 2.6195 2.6195 2.8375 2.8375 2.8996 2.8996 2.9268 2.9268 3.7955 3.7955 3.9321 3.9321 3.9586 3.9586 4.0419 4.0419 4.0776 4.0776 4.1051 4.1051 4.3417 4.3417 4.5319 4.5319 4.6077 4.6077 4.6817 4.6817 4.8165 4.8165 4.8579 4.8579 5.9540 5.9540 5.9890 5.9890 6.1685 6.1685 7.4668 7.4668 7.6482 7.6482 8.0099 8.0099 8.1213 8.1213 8.1276 8.1276 10.7615 10.7615 10.7660 10.7660 k = 0.5000 0.5000 0.3333 ( 5944 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9540 -31.9540 -31.9538 -31.9538 -6.4784 -6.4784 -6.4097 -6.4097 -6.4064 -6.4064 -6.3296 -6.3296 1.0794 1.0794 1.0845 1.0845 1.0892 1.0892 1.5856 1.5856 2.4294 2.4294 2.4617 2.4617 2.4941 2.4941 2.5007 2.5007 2.6131 2.6131 2.8492 2.8492 2.8998 2.8998 2.9287 2.9287 3.7942 3.7942 3.9408 3.9408 3.9609 3.9609 4.0394 4.0394 4.0800 4.0800 4.1045 4.1045 4.3482 4.3482 4.5301 4.5301 4.5983 4.5983 4.6696 4.6696 4.8111 4.8111 4.8509 4.8509 5.9938 5.9938 6.0269 6.0269 6.1789 6.1789 7.4849 7.4849 7.6432 7.6432 8.0353 8.0353 8.1285 8.1285 8.1346 8.1346 10.7095 10.7095 10.7142 10.7142 k = 0.5000 0.5000 0.3500 ( 5948 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9540 -31.9540 -31.9539 -31.9539 -6.4706 -6.4706 -6.4088 -6.4088 -6.4056 -6.4056 -6.3353 -6.3353 1.0658 1.0658 1.0705 1.0705 1.0748 1.0748 1.5668 1.5668 2.4367 2.4367 2.4692 2.4692 2.5021 2.5021 2.5105 2.5105 2.6067 2.6067 2.8596 2.8596 2.8998 2.8998 2.9307 2.9307 3.7930 3.7930 3.9496 3.9496 3.9630 3.9630 4.0371 4.0371 4.0823 4.0823 4.1039 4.1039 4.3544 4.3544 4.5288 4.5288 4.5894 4.5894 4.6581 4.6581 4.8057 4.8057 4.8432 4.8432 6.0317 6.0317 6.0628 6.0628 6.1889 6.1889 7.5037 7.5037 7.6384 7.6384 8.0587 8.0587 8.1348 8.1348 8.1409 8.1409 10.6610 10.6610 10.6658 10.6658 k = 0.5000 0.5000 0.3667 ( 5948 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9540 -31.9540 -31.9539 -31.9539 -6.4626 -6.4626 -6.4079 -6.4079 -6.4049 -6.4049 -6.3412 -6.3412 1.0532 1.0532 1.0577 1.0577 1.0616 1.0616 1.5499 1.5499 2.4438 2.4438 2.4757 2.4757 2.5098 2.5098 2.5197 2.5197 2.6004 2.6004 2.8687 2.8687 2.8999 2.8999 2.9326 2.9326 3.7918 3.7918 3.9582 3.9582 3.9651 3.9651 4.0351 4.0351 4.0847 4.0847 4.1032 4.1032 4.3602 4.3602 4.5280 4.5280 4.5812 4.5812 4.6477 4.6477 4.8004 4.8004 4.8347 4.8347 6.0673 6.0673 6.0963 6.0963 6.1984 6.1984 7.5224 7.5224 7.6338 7.6338 8.0800 8.0800 8.1405 8.1405 8.1464 8.1464 10.6164 10.6164 10.6212 10.6212 k = 0.5000 0.5000 0.3833 ( 5932 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9540 -31.9540 -31.9539 -31.9539 -6.4545 -6.4545 -6.4071 -6.4071 -6.4042 -6.4042 -6.3474 -6.3474 1.0418 1.0418 1.0463 1.0463 1.0497 1.0497 1.5348 1.5348 2.4505 2.4505 2.4813 2.4813 2.5172 2.5172 2.5280 2.5280 2.5942 2.5942 2.8765 2.8765 2.8999 2.8999 2.9345 2.9345 3.7907 3.7907 3.9647 3.9647 3.9689 3.9689 4.0332 4.0332 4.0870 4.0870 4.1025 4.1025 4.3656 4.3656 4.5276 4.5276 4.5736 4.5736 4.6386 4.6386 4.7954 4.7954 4.8259 4.8259 6.1002 6.1002 6.1268 6.1268 6.2075 6.2075 7.5408 7.5408 7.6297 7.6297 8.0989 8.0989 8.1453 8.1453 8.1511 8.1511 10.5761 10.5761 10.5808 10.5808 k = 0.5000 0.5000 0.4000 ( 5932 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9540 -31.9540 -31.9539 -31.9539 -6.4464 -6.4464 -6.4064 -6.4064 -6.4036 -6.4036 -6.3539 -6.3539 1.0317 1.0317 1.0363 1.0363 1.0392 1.0392 1.5216 1.5216 2.4570 2.4570 2.4857 2.4857 2.5240 2.5240 2.5354 2.5354 2.5883 2.5883 2.8829 2.8829 2.9000 2.9000 2.9364 2.9364 3.7898 3.7898 3.9669 3.9669 3.9764 3.9764 4.0313 4.0313 4.0891 4.0891 4.1016 4.1016 4.3703 4.3703 4.5276 4.5276 4.5667 4.5667 4.6311 4.6311 4.7909 4.7909 4.8167 4.8167 6.1298 6.1298 6.1536 6.1536 6.2163 6.2163 7.5582 7.5582 7.6259 7.6259 8.1154 8.1154 8.1493 8.1493 8.1551 8.1551 10.5404 10.5404 10.5448 10.5448 k = 0.5000 0.5000 0.4167 ( 5932 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9540 -31.9540 -31.9539 -31.9539 -6.4384 -6.4384 -6.4058 -6.4058 -6.4031 -6.4031 -6.3606 -6.3606 1.0229 1.0229 1.0278 1.0278 1.0302 1.0302 1.5103 1.5103 2.4633 2.4633 2.4890 2.4890 2.5304 2.5304 2.5418 2.5418 2.5827 2.5827 2.8882 2.8882 2.9000 2.9000 2.9381 2.9381 3.7890 3.7890 3.9682 3.9682 3.9841 3.9841 4.0293 4.0293 4.0910 4.0910 4.1007 4.1007 4.3743 4.3743 4.5277 4.5277 4.5602 4.5602 4.6256 4.6256 4.7868 4.7868 4.8078 4.8078 6.1557 6.1557 6.1759 6.1759 6.2250 6.2250 7.5741 7.5741 7.6226 7.6226 8.1292 8.1292 8.1526 8.1526 8.1584 8.1584 10.5097 10.5097 10.5136 10.5136 k = 0.5000 0.5000 0.4333 ( 5932 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9540 -31.9540 -31.9539 -31.9539 -6.4303 -6.4303 -6.4053 -6.4053 -6.4027 -6.4027 -6.3674 -6.3674 1.0157 1.0157 1.0208 1.0208 1.0227 1.0227 1.5011 1.5011 2.4692 2.4692 2.4911 2.4911 2.5361 2.5361 2.5470 2.5470 2.5774 2.5774 2.8923 2.8923 2.9000 2.9000 2.9397 2.9397 3.7884 3.7884 3.9691 3.9691 3.9915 3.9915 4.0272 4.0272 4.0926 4.0926 4.0998 4.0998 4.3777 4.3777 4.5282 4.5282 4.5542 4.5542 4.6220 4.6220 4.7835 4.7835 4.7994 4.7994 6.1775 6.1775 6.1931 6.1931 6.2339 6.2339 7.5879 7.5879 7.6199 7.6199 8.1404 8.1404 8.1552 8.1552 8.1611 8.1611 10.4842 10.4842 10.4872 10.4872 k = 0.5000 0.5000 0.4500 ( 5932 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9540 -31.9540 -31.9540 -31.9540 -6.4224 -6.4224 -6.4048 -6.4048 -6.4024 -6.4024 -6.3745 -6.3745 1.0099 1.0099 1.0154 1.0154 1.0168 1.0168 1.4939 1.4939 2.4746 2.4746 2.4920 2.4920 2.5413 2.5413 2.5511 2.5511 2.5727 2.5727 2.8954 2.8954 2.9000 2.9000 2.9410 2.9410 3.7879 3.7879 3.9698 3.9698 3.9983 3.9983 4.0248 4.0248 4.0940 4.0940 4.0989 4.0989 4.3803 4.3803 4.5291 4.5291 4.5487 4.5487 4.6199 4.6199 4.7809 4.7809 4.7920 4.7920 6.1948 6.1948 6.2051 6.2051 6.2428 6.2428 7.5993 7.5993 7.6177 7.6177 8.1489 8.1489 8.1572 8.1572 8.1633 8.1633 10.4641 10.4641 10.4660 10.4660 k = 0.5000 0.5000 0.4667 ( 5912 PWs) bands (ev): -58.3900 -58.3900 -32.7828 -32.7828 -31.9540 -31.9540 -31.9540 -31.9540 -6.4147 -6.4147 -6.4045 -6.4045 -6.4022 -6.4022 -6.3815 -6.3815 1.0058 1.0058 1.0116 1.0116 1.0125 1.0125 1.4887 1.4887 2.4796 2.4796 2.4916 2.4916 2.5460 2.5460 2.5537 2.5537 2.5687 2.5687 2.8976 2.8976 2.9000 2.9000 2.9420 2.9420 3.7876 3.7876 3.9704 3.9704 4.0045 4.0045 4.0220 4.0220 4.0951 4.0951 4.0981 4.0981 4.3821 4.3821 4.5305 4.5305 4.5437 4.5437 4.6191 4.6191 4.7793 4.7793 4.7860 4.7860 6.2075 6.2075 6.2125 6.2125 6.2505 6.2505 7.6078 7.6078 7.6161 7.6161 8.1547 8.1547 8.1585 8.1585 8.1650 8.1650 10.4496 10.4496 10.4506 10.4506 k = 0.5000 0.5000 0.4833 ( 5904 PWs) bands (ev): -58.3900 -58.3900 -32.7829 -32.7829 -31.9540 -31.9540 -31.9540 -31.9540 -6.4080 -6.4080 -6.4038 -6.4038 -6.4020 -6.4020 -6.3883 -6.3883 1.0033 1.0033 1.0093 1.0093 1.0098 1.0098 1.4856 1.4856 2.4840 2.4840 2.4901 2.4901 2.5501 2.5501 2.5545 2.5545 2.5658 2.5658 2.8989 2.8989 2.8999 2.8999 2.9426 2.9426 3.7875 3.7875 3.9707 3.9707 4.0100 4.0100 4.0187 4.0187 4.0960 4.0960 4.0974 4.0974 4.3832 4.3832 4.5327 4.5327 4.5393 4.5393 4.6189 4.6189 4.7787 4.7787 4.7818 4.7818 6.2151 6.2151 6.2165 6.2165 6.2557 6.2557 7.6130 7.6130 7.6152 7.6152 8.1579 8.1579 8.1592 8.1592 8.1663 8.1663 10.4409 10.4409 10.4411 10.4411 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.3900 -58.3900 -32.7829 -32.7829 -31.9540 -31.9540 -31.9540 -31.9540 -6.4056 -6.4056 -6.4020 -6.4020 -6.4020 -6.4020 -6.3924 -6.3924 1.0025 1.0025 1.0087 1.0087 1.0087 1.0087 1.4846 1.4846 2.4875 2.4875 2.4875 2.4875 2.5532 2.5532 2.5532 2.5532 2.5647 2.5647 2.8996 2.8996 2.8996 2.8996 2.9428 2.9428 3.7874 3.7874 3.9708 3.9708 4.0147 4.0147 4.0147 4.0147 4.0967 4.0967 4.0967 4.0967 4.3836 4.3836 4.5356 4.5356 4.5356 4.5356 4.6189 4.6189 4.7794 4.7794 4.7794 4.7794 6.2177 6.2177 6.2177 6.2177 6.2575 6.2575 7.6148 7.6148 7.6148 7.6148 8.1592 8.1592 8.1592 8.1592 8.1668 8.1668 10.4380 10.4380 10.4380 10.4380 Writing output data file VCu3S4.save init_run : 5.55s CPU 11.89s WALL ( 1 calls) electrons : 1842.39s CPU 1859.96s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.35s CPU 1.56s WALL ( 1 calls) Called by electrons: c_bands : 1842.32s CPU 1859.75s WALL ( 1 calls) v_of_rho : 0.14s CPU 0.90s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.13s CPU 0.51s WALL ( 1 calls) newd : 1.51s CPU 1.73s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.12s WALL ( 231 calls) cegterg : 1781.58s CPU 1796.34s WALL ( 924 calls) Called by sum_band: Called by *egterg: h_psi : 570.01s CPU 582.62s WALL ( 17571 calls) s_psi : 107.12s CPU 107.84s WALL ( 17571 calls) g_psi : 1.30s CPU 1.29s WALL ( 16416 calls) cdiaghg : 832.75s CPU 829.93s WALL ( 16647 calls) cegterg:over : 144.01s CPU 138.80s WALL ( 16416 calls) cegterg:upda : 38.60s CPU 42.53s WALL ( 16416 calls) cegterg:last : 26.22s CPU 26.74s WALL ( 1848 calls) Called by h_psi: h_psi:vloc : 374.27s CPU 383.37s WALL ( 17571 calls) h_psi:vnl : 195.13s CPU 197.91s WALL ( 17571 calls) add_vuspsi : 79.82s CPU 86.09s WALL ( 17571 calls) General routines calbec : 115.22s CPU 111.68s WALL ( 17571 calls) fft : 0.22s CPU 1.31s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 327.83s CPU 334.27s WALL ( 1793852 calls) interpolate : 0.05s CPU 0.05s WALL ( 4 calls) davcio : 0.01s CPU 1.19s WALL ( 462 calls) Parallel routines fft_scatter : 228.59s CPU 225.78s WALL ( 1793875 calls) PWSCF : 32m 1.97s CPU 33m56.34s WALL This run was terminated on: 18:46: 3 1Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=