Program PWSCF v.5.1.1 starts on 29Oct2015 at 9:52:13 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: ./NbCu3Te4.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 55 39 11 2151 1299 201 Max 56 40 12 2155 1322 206 Sum 2661 1901 553 103311 62933 9771 bravais-lattice index = 14 lattice parameter (alat) = 11.1904 a.u. unit-cell volume = 1401.3148 (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 = 267.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.190390 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 Nb read from file: /home/autes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 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 1227 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 Te read from file: /home/autes/Pseudo/Te_MT_PBE.UPF MD5 check sum: 58ccb0a2ae5f507b1c31ab9daa3b9941 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1245 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Nb 13.00 92.90640 Nb( 1.00) Te 6.00 127.60000 Te( 1.00) Cu 11.00 63.54600 Cu( 1.00) 24 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 17 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(17) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(17) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 18 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(18) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 19 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(19) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(19) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 20 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(20) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(20) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 21 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(21) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(21) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(22) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 23 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(23) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(23) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(24) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(24) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) double point group T_d (-43m) there are 8 classes and 3 irreducible representations the character table: E -E 8C3 -8C3 3C2 6s_d 6S4 -6S4 -3C2 -6s_d G_6 2.00 -2.00 1.00 -1.00 0.00 0.00 1.41 -1.41 G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.41 1.41 G_8 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2 -3C2 2 -2 3 -3 4 -4 8C3 5 7 8 6 12 9 10 11 6s_d -6s_d 13 -13 14 -14 17 -17 18 -18 21 -21 22 -22 6S4 15 16 20 19 23 24 -E -1 -8C3 -5 -7 -8 -6 -12 -9 -10 -11 -6S4 -15 -16 -20 -19 -23 -24 Cartesian axes number of k points= 209 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847 k( 2) = ( 0.0000000 0.0185185 -0.0000000), wk = 0.0047847 k( 3) = ( 0.0000000 0.0370370 -0.0000000), wk = 0.0047847 k( 4) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0047847 k( 5) = ( 0.0000000 0.0740741 -0.0000000), wk = 0.0047847 k( 6) = ( 0.0000000 0.0925926 -0.0000000), wk = 0.0047847 k( 7) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0047847 k( 8) = ( 0.0000000 0.1296296 -0.0000000), wk = 0.0047847 k( 9) = ( 0.0000000 0.1481482 -0.0000000), wk = 0.0047847 k( 10) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0047847 k( 11) = ( 0.0000000 0.1851852 -0.0000000), wk = 0.0047847 k( 12) = ( 0.0000000 0.2037037 -0.0000000), wk = 0.0047847 k( 13) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0047847 k( 14) = ( 0.0000000 0.2407407 -0.0000000), wk = 0.0047847 k( 15) = ( 0.0000000 0.2592593 -0.0000000), wk = 0.0047847 k( 16) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0047847 k( 17) = ( 0.0000000 0.2962963 -0.0000000), wk = 0.0047847 k( 18) = ( 0.0000000 0.3148148 -0.0000000), wk = 0.0047847 k( 19) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0047847 k( 20) = ( 0.0000000 0.3518519 -0.0000000), wk = 0.0047847 k( 21) = ( 0.0000000 0.3703704 -0.0000000), wk = 0.0047847 k( 22) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0047847 k( 23) = ( 0.0000000 0.4074074 -0.0000000), wk = 0.0047847 k( 24) = ( 0.0000000 0.4259259 -0.0000000), wk = 0.0047847 k( 25) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0047847 k( 26) = ( 0.0000000 0.4629630 -0.0000000), wk = 0.0047847 k( 27) = ( 0.0000000 0.4814815 -0.0000000), wk = 0.0047847 k( 28) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0047847 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0047847 k( 30) = ( 0.0185185 0.5000000 -0.0000000), wk = 0.0047847 k( 31) = ( 0.0370370 0.5000000 -0.0000000), wk = 0.0047847 k( 32) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0047847 k( 33) = ( 0.0740741 0.5000000 -0.0000000), wk = 0.0047847 k( 34) = ( 0.0925926 0.5000000 -0.0000000), wk = 0.0047847 k( 35) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0047847 k( 36) = ( 0.1296296 0.5000000 -0.0000000), wk = 0.0047847 k( 37) = ( 0.1481482 0.5000000 -0.0000000), wk = 0.0047847 k( 38) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0047847 k( 39) = ( 0.1851852 0.5000000 -0.0000000), wk = 0.0047847 k( 40) = ( 0.2037037 0.5000000 -0.0000000), wk = 0.0047847 k( 41) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0047847 k( 42) = ( 0.2407407 0.5000000 -0.0000000), wk = 0.0047847 k( 43) = ( 0.2592593 0.5000000 -0.0000000), wk = 0.0047847 k( 44) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0047847 k( 45) = ( 0.2962963 0.5000000 -0.0000000), wk = 0.0047847 k( 46) = ( 0.3148148 0.5000000 -0.0000000), wk = 0.0047847 k( 47) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0047847 k( 48) = ( 0.3518519 0.5000000 -0.0000000), wk = 0.0047847 k( 49) = ( 0.3703704 0.5000000 -0.0000000), wk = 0.0047847 k( 50) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0047847 k( 51) = ( 0.4074074 0.5000000 -0.0000000), wk = 0.0047847 k( 52) = ( 0.4259259 0.5000000 -0.0000000), wk = 0.0047847 k( 53) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0047847 k( 54) = ( 0.4629630 0.5000000 -0.0000000), wk = 0.0047847 k( 55) = ( 0.4814815 0.5000000 -0.0000000), wk = 0.0047847 k( 56) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0047847 k( 57) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0047847 k( 58) = ( 0.4868421 0.4868421 -0.0000000), wk = 0.0047847 k( 59) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0047847 k( 60) = ( 0.4605263 0.4605263 -0.0000000), wk = 0.0047847 k( 61) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0047847 k( 62) = ( 0.4342105 0.4342105 -0.0000000), wk = 0.0047847 k( 63) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0047847 k( 64) = ( 0.4078947 0.4078947 -0.0000000), wk = 0.0047847 k( 65) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0047847 k( 66) = ( 0.3815789 0.3815789 -0.0000000), wk = 0.0047847 k( 67) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0047847 k( 68) = ( 0.3552632 0.3552632 -0.0000000), wk = 0.0047847 k( 69) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0047847 k( 70) = ( 0.3289474 0.3289474 -0.0000000), wk = 0.0047847 k( 71) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0047847 k( 72) = ( 0.3026316 0.3026316 -0.0000000), wk = 0.0047847 k( 73) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0047847 k( 74) = ( 0.2763158 0.2763158 -0.0000000), wk = 0.0047847 k( 75) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0047847 k( 76) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0047847 k( 77) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0047847 k( 78) = ( 0.2236842 0.2236842 -0.0000000), wk = 0.0047847 k( 79) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0047847 k( 80) = ( 0.1973684 0.1973684 -0.0000000), wk = 0.0047847 k( 81) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0047847 k( 82) = ( 0.1710526 0.1710526 -0.0000000), wk = 0.0047847 k( 83) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0047847 k( 84) = ( 0.1447368 0.1447368 -0.0000000), wk = 0.0047847 k( 85) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0047847 k( 86) = ( 0.1184210 0.1184210 -0.0000000), wk = 0.0047847 k( 87) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0047847 k( 88) = ( 0.0921053 0.0921053 -0.0000000), wk = 0.0047847 k( 89) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0047847 k( 90) = ( 0.0657895 0.0657895 -0.0000000), wk = 0.0047847 k( 91) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0047847 k( 92) = ( 0.0394737 0.0394737 -0.0000000), wk = 0.0047847 k( 93) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0047847 k( 94) = ( 0.0131579 0.0131579 -0.0000000), wk = 0.0047847 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847 k( 97) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0047847 k( 98) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0047847 k( 99) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0047847 k( 100) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0047847 k( 101) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0047847 k( 102) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0047847 k( 103) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0047847 k( 104) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0047847 k( 105) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0047847 k( 106) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0047847 k( 107) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0047847 k( 108) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0047847 k( 109) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0047847 k( 110) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0047847 k( 111) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0047847 k( 112) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0047847 k( 113) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0047847 k( 114) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0047847 k( 115) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0047847 k( 116) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0047847 k( 117) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0047847 k( 118) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0047847 k( 119) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0047847 k( 120) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0047847 k( 121) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0047847 k( 122) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0047847 k( 123) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0047847 k( 124) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0047847 k( 125) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0047847 k( 126) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0047847 k( 127) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0047847 k( 128) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0047847 k( 129) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0047847 k( 130) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0047847 k( 131) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0047847 k( 132) = ( 0.3913044 0.3913043 0.3913043), wk = 0.0047847 k( 133) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0047847 k( 134) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0047847 k( 135) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0047847 k( 136) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0047847 k( 137) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0047847 k( 138) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0047847 k( 139) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0047847 k( 140) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0047847 k( 141) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0047847 k( 142) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047847 k( 143) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047847 k( 144) = ( 0.4868421 0.5000000 0.4868421), wk = 0.0047847 k( 145) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0047847 k( 146) = ( 0.4605263 0.5000000 0.4605263), wk = 0.0047847 k( 147) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0047847 k( 148) = ( 0.4342105 0.5000000 0.4342105), wk = 0.0047847 k( 149) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0047847 k( 150) = ( 0.4078947 0.5000000 0.4078947), wk = 0.0047847 k( 151) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0047847 k( 152) = ( 0.3815789 0.5000000 0.3815789), wk = 0.0047847 k( 153) = ( 0.3684211 0.5000000 0.3684210), wk = 0.0047847 k( 154) = ( 0.3552632 0.5000000 0.3552632), wk = 0.0047847 k( 155) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0047847 k( 156) = ( 0.3289474 0.5000000 0.3289474), wk = 0.0047847 k( 157) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0047847 k( 158) = ( 0.3026316 0.5000000 0.3026316), wk = 0.0047847 k( 159) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0047847 k( 160) = ( 0.2763158 0.5000000 0.2763158), wk = 0.0047847 k( 161) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0047847 k( 162) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0047847 k( 163) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0047847 k( 164) = ( 0.2236842 0.5000000 0.2236842), wk = 0.0047847 k( 165) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0047847 k( 166) = ( 0.1973684 0.5000000 0.1973684), wk = 0.0047847 k( 167) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0047847 k( 168) = ( 0.1710526 0.5000000 0.1710526), wk = 0.0047847 k( 169) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0047847 k( 170) = ( 0.1447368 0.5000000 0.1447368), wk = 0.0047847 k( 171) = ( 0.1315790 0.5000000 0.1315789), wk = 0.0047847 k( 172) = ( 0.1184210 0.5000000 0.1184210), wk = 0.0047847 k( 173) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0047847 k( 174) = ( 0.0921053 0.5000000 0.0921053), wk = 0.0047847 k( 175) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0047847 k( 176) = ( 0.0657895 0.5000000 0.0657895), wk = 0.0047847 k( 177) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0047847 k( 178) = ( 0.0394737 0.5000000 0.0394737), wk = 0.0047847 k( 179) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0047847 k( 180) = ( 0.0131579 0.5000000 0.0131579), wk = 0.0047847 k( 181) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0047847 k( 182) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0047847 k( 183) = ( 0.5000000 0.5000000 0.0185185), wk = 0.0047847 k( 184) = ( 0.5000000 0.5000000 0.0370370), wk = 0.0047847 k( 185) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0047847 k( 186) = ( 0.5000000 0.5000000 0.0740741), wk = 0.0047847 k( 187) = ( 0.5000000 0.5000000 0.0925926), wk = 0.0047847 k( 188) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0047847 k( 189) = ( 0.5000000 0.5000000 0.1296296), wk = 0.0047847 k( 190) = ( 0.5000000 0.5000000 0.1481481), wk = 0.0047847 k( 191) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0047847 k( 192) = ( 0.5000000 0.5000000 0.1851852), wk = 0.0047847 k( 193) = ( 0.5000000 0.5000000 0.2037037), wk = 0.0047847 k( 194) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0047847 k( 195) = ( 0.5000000 0.5000000 0.2407407), wk = 0.0047847 k( 196) = ( 0.5000000 0.5000000 0.2592593), wk = 0.0047847 k( 197) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0047847 k( 198) = ( 0.5000000 0.5000000 0.2962963), wk = 0.0047847 k( 199) = ( 0.5000000 0.5000000 0.3148148), wk = 0.0047847 k( 200) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0047847 k( 201) = ( 0.5000000 0.5000000 0.3518518), wk = 0.0047847 k( 202) = ( 0.5000000 0.5000000 0.3703704), wk = 0.0047847 k( 203) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0047847 k( 204) = ( 0.5000000 0.5000000 0.4074074), wk = 0.0047847 k( 205) = ( 0.5000000 0.5000000 0.4259259), wk = 0.0047847 k( 206) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0047847 k( 207) = ( 0.5000000 0.5000000 0.4629630), wk = 0.0047847 k( 208) = ( 0.5000000 0.5000000 0.4814815), wk = 0.0047847 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047847 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847 k( 2) = ( 0.0000000 0.0185185 0.0000000), wk = 0.0047847 k( 3) = ( 0.0000000 0.0370370 0.0000000), wk = 0.0047847 k( 4) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0047847 k( 5) = ( 0.0000000 0.0740741 0.0000000), wk = 0.0047847 k( 6) = ( 0.0000000 0.0925926 0.0000000), wk = 0.0047847 k( 7) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0047847 k( 8) = ( 0.0000000 0.1296296 0.0000000), wk = 0.0047847 k( 9) = ( 0.0000000 0.1481482 0.0000000), wk = 0.0047847 k( 10) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0047847 k( 11) = ( 0.0000000 0.1851852 0.0000000), wk = 0.0047847 k( 12) = ( 0.0000000 0.2037037 0.0000000), wk = 0.0047847 k( 13) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0047847 k( 14) = ( 0.0000000 0.2407407 0.0000000), wk = 0.0047847 k( 15) = ( 0.0000000 0.2592593 0.0000000), wk = 0.0047847 k( 16) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0047847 k( 17) = ( 0.0000000 0.2962963 0.0000000), wk = 0.0047847 k( 18) = ( 0.0000000 0.3148148 0.0000000), wk = 0.0047847 k( 19) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0047847 k( 20) = ( 0.0000000 0.3518519 0.0000000), wk = 0.0047847 k( 21) = ( 0.0000000 0.3703704 0.0000000), wk = 0.0047847 k( 22) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0047847 k( 23) = ( 0.0000000 0.4074074 0.0000000), wk = 0.0047847 k( 24) = ( 0.0000000 0.4259259 0.0000000), wk = 0.0047847 k( 25) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0047847 k( 26) = ( 0.0000000 0.4629630 0.0000000), wk = 0.0047847 k( 27) = ( 0.0000000 0.4814815 0.0000000), wk = 0.0047847 k( 28) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0047847 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0047847 k( 30) = ( 0.0185185 0.5000000 0.0000000), wk = 0.0047847 k( 31) = ( 0.0370370 0.5000000 0.0000000), wk = 0.0047847 k( 32) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0047847 k( 33) = ( 0.0740741 0.5000000 0.0000000), wk = 0.0047847 k( 34) = ( 0.0925926 0.5000000 0.0000000), wk = 0.0047847 k( 35) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0047847 k( 36) = ( 0.1296296 0.5000000 0.0000000), wk = 0.0047847 k( 37) = ( 0.1481482 0.5000000 0.0000000), wk = 0.0047847 k( 38) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0047847 k( 39) = ( 0.1851852 0.5000000 0.0000000), wk = 0.0047847 k( 40) = ( 0.2037037 0.5000000 0.0000000), wk = 0.0047847 k( 41) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0047847 k( 42) = ( 0.2407407 0.5000000 0.0000000), wk = 0.0047847 k( 43) = ( 0.2592593 0.5000000 0.0000000), wk = 0.0047847 k( 44) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0047847 k( 45) = ( 0.2962963 0.5000000 0.0000000), wk = 0.0047847 k( 46) = ( 0.3148148 0.5000000 -0.0000000), wk = 0.0047847 k( 47) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0047847 k( 48) = ( 0.3518519 0.5000000 0.0000000), wk = 0.0047847 k( 49) = ( 0.3703704 0.5000000 0.0000000), wk = 0.0047847 k( 50) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0047847 k( 51) = ( 0.4074074 0.5000000 0.0000000), wk = 0.0047847 k( 52) = ( 0.4259259 0.5000000 0.0000000), wk = 0.0047847 k( 53) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0047847 k( 54) = ( 0.4629630 0.5000000 0.0000000), wk = 0.0047847 k( 55) = ( 0.4814815 0.5000000 0.0000000), wk = 0.0047847 k( 56) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0047847 k( 57) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0047847 k( 58) = ( 0.4868421 0.4868421 0.0000000), wk = 0.0047847 k( 59) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0047847 k( 60) = ( 0.4605263 0.4605263 0.0000000), wk = 0.0047847 k( 61) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0047847 k( 62) = ( 0.4342105 0.4342105 0.0000000), wk = 0.0047847 k( 63) = ( 0.4210526 0.4210526 0.0000000), wk = 0.0047847 k( 64) = ( 0.4078947 0.4078947 0.0000000), wk = 0.0047847 k( 65) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0047847 k( 66) = ( 0.3815789 0.3815789 0.0000000), wk = 0.0047847 k( 67) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0047847 k( 68) = ( 0.3552632 0.3552632 0.0000000), wk = 0.0047847 k( 69) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0047847 k( 70) = ( 0.3289474 0.3289474 0.0000000), wk = 0.0047847 k( 71) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0047847 k( 72) = ( 0.3026316 0.3026316 0.0000000), wk = 0.0047847 k( 73) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0047847 k( 74) = ( 0.2763158 0.2763158 0.0000000), wk = 0.0047847 k( 75) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0047847 k( 76) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0047847 k( 77) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0047847 k( 78) = ( 0.2236842 0.2236842 0.0000000), wk = 0.0047847 k( 79) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0047847 k( 80) = ( 0.1973684 0.1973684 0.0000000), wk = 0.0047847 k( 81) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0047847 k( 82) = ( 0.1710526 0.1710526 0.0000000), wk = 0.0047847 k( 83) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0047847 k( 84) = ( 0.1447368 0.1447368 0.0000000), wk = 0.0047847 k( 85) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0047847 k( 86) = ( 0.1184210 0.1184210 0.0000000), wk = 0.0047847 k( 87) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0047847 k( 88) = ( 0.0921053 0.0921053 0.0000000), wk = 0.0047847 k( 89) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0047847 k( 90) = ( 0.0657895 0.0657895 0.0000000), wk = 0.0047847 k( 91) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0047847 k( 92) = ( 0.0394737 0.0394737 0.0000000), wk = 0.0047847 k( 93) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0047847 k( 94) = ( 0.0131579 0.0131579 0.0000000), wk = 0.0047847 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847 k( 97) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0047847 k( 98) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0047847 k( 99) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0047847 k( 100) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0047847 k( 101) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0047847 k( 102) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0047847 k( 103) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0047847 k( 104) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0047847 k( 105) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0047847 k( 106) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0047847 k( 107) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0047847 k( 108) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0047847 k( 109) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0047847 k( 110) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0047847 k( 111) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0047847 k( 112) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0047847 k( 113) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0047847 k( 114) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0047847 k( 115) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0047847 k( 116) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0047847 k( 117) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0047847 k( 118) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0047847 k( 119) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0047847 k( 120) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0047847 k( 121) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0047847 k( 122) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0047847 k( 123) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0047847 k( 124) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0047847 k( 125) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0047847 k( 126) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0047847 k( 127) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0047847 k( 128) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0047847 k( 129) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0047847 k( 130) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0047847 k( 131) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0047847 k( 132) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0047847 k( 133) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0047847 k( 134) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0047847 k( 135) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0047847 k( 136) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0047847 k( 137) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0047847 k( 138) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0047847 k( 139) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0047847 k( 140) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0047847 k( 141) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0047847 k( 142) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047847 k( 143) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047847 k( 144) = ( 0.4868421 0.5000000 0.4868421), wk = 0.0047847 k( 145) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0047847 k( 146) = ( 0.4605263 0.5000000 0.4605263), wk = 0.0047847 k( 147) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0047847 k( 148) = ( 0.4342105 0.5000000 0.4342105), wk = 0.0047847 k( 149) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0047847 k( 150) = ( 0.4078947 0.5000000 0.4078947), wk = 0.0047847 k( 151) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0047847 k( 152) = ( 0.3815789 0.5000000 0.3815789), wk = 0.0047847 k( 153) = ( 0.3684211 0.5000000 0.3684211), wk = 0.0047847 k( 154) = ( 0.3552632 0.5000000 0.3552632), wk = 0.0047847 k( 155) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0047847 k( 156) = ( 0.3289474 0.5000000 0.3289474), wk = 0.0047847 k( 157) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0047847 k( 158) = ( 0.3026316 0.5000000 0.3026316), wk = 0.0047847 k( 159) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0047847 k( 160) = ( 0.2763158 0.5000000 0.2763158), wk = 0.0047847 k( 161) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0047847 k( 162) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0047847 k( 163) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0047847 k( 164) = ( 0.2236842 0.5000000 0.2236842), wk = 0.0047847 k( 165) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0047847 k( 166) = ( 0.1973684 0.5000000 0.1973684), wk = 0.0047847 k( 167) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0047847 k( 168) = ( 0.1710526 0.5000000 0.1710526), wk = 0.0047847 k( 169) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0047847 k( 170) = ( 0.1447368 0.5000000 0.1447368), wk = 0.0047847 k( 171) = ( 0.1315790 0.5000000 0.1315790), wk = 0.0047847 k( 172) = ( 0.1184210 0.5000000 0.1184210), wk = 0.0047847 k( 173) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0047847 k( 174) = ( 0.0921053 0.5000000 0.0921053), wk = 0.0047847 k( 175) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0047847 k( 176) = ( 0.0657895 0.5000000 0.0657895), wk = 0.0047847 k( 177) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0047847 k( 178) = ( 0.0394737 0.5000000 0.0394737), wk = 0.0047847 k( 179) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0047847 k( 180) = ( 0.0131579 0.5000000 0.0131579), wk = 0.0047847 k( 181) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0047847 k( 182) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0047847 k( 183) = ( 0.5000000 0.5000000 0.0185185), wk = 0.0047847 k( 184) = ( 0.5000000 0.5000000 0.0370370), wk = 0.0047847 k( 185) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0047847 k( 186) = ( 0.5000000 0.5000000 0.0740741), wk = 0.0047847 k( 187) = ( 0.5000000 0.5000000 0.0925926), wk = 0.0047847 k( 188) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0047847 k( 189) = ( 0.5000000 0.5000000 0.1296296), wk = 0.0047847 k( 190) = ( 0.5000000 0.5000000 0.1481482), wk = 0.0047847 k( 191) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0047847 k( 192) = ( 0.5000000 0.5000000 0.1851852), wk = 0.0047847 k( 193) = ( 0.5000000 0.5000000 0.2037037), wk = 0.0047847 k( 194) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0047847 k( 195) = ( 0.5000000 0.5000000 0.2407407), wk = 0.0047847 k( 196) = ( 0.5000000 0.5000000 0.2592593), wk = 0.0047847 k( 197) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0047847 k( 198) = ( 0.5000000 0.5000000 0.2962963), wk = 0.0047847 k( 199) = ( 0.5000000 0.5000000 0.3148148), wk = 0.0047847 k( 200) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0047847 k( 201) = ( 0.5000000 0.5000000 0.3518519), wk = 0.0047847 k( 202) = ( 0.5000000 0.5000000 0.3703704), wk = 0.0047847 k( 203) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0047847 k( 204) = ( 0.5000000 0.5000000 0.4074074), wk = 0.0047847 k( 205) = ( 0.5000000 0.5000000 0.4259259), wk = 0.0047847 k( 206) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0047847 k( 207) = ( 0.5000000 0.5000000 0.4629630), wk = 0.0047847 k( 208) = ( 0.5000000 0.5000000 0.4814815), wk = 0.0047847 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047847 Dense grid: 103311 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 62933 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.44 Mb ( 346, 84) NL pseudopotentials 0.53 Mb ( 173, 200) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2154) G-vector shells 0.00 Mb ( 499) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.77 Mb ( 346, 336) Each subspace H/S matrix 1.72 Mb ( 336, 336) Each matrix 0.51 Mb ( 200, 2, 84) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./NbCu3Te4.save/charge-density.dat Starting wfc are 112 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.5 secs Computing kpt #: 2 total cpu time spent up to now is 52.8 secs Computing kpt #: 3 total cpu time spent up to now is 58.2 secs Computing kpt #: 4 total cpu time spent up to now is 64.7 secs Computing kpt #: 5 total cpu time spent up to now is 70.9 secs Computing kpt #: 6 total cpu time spent up to now is 76.2 secs Computing kpt #: 7 total cpu time spent up to now is 81.4 secs Computing kpt #: 8 total cpu time spent up to now is 86.9 secs Computing kpt #: 9 total cpu time spent up to now is 92.2 secs Computing kpt #: 10 total cpu time spent up to now is 98.1 secs Computing kpt #: 11 total cpu time spent up to now is 103.3 secs Computing kpt #: 12 total cpu time spent up to now is 108.7 secs Computing kpt #: 13 total cpu time spent up to now is 113.9 secs Computing kpt #: 14 total cpu time spent up to now is 119.0 secs Computing kpt #: 15 total cpu time spent up to now is 124.0 secs Computing kpt #: 16 total cpu time spent up to now is 129.1 secs Computing kpt #: 17 total cpu time spent up to now is 134.1 secs Computing kpt #: 18 total cpu time spent up to now is 139.1 secs Computing kpt #: 19 total cpu time spent up to now is 144.1 secs Computing kpt #: 20 total cpu time spent up to now is 148.9 secs Computing kpt #: 21 total cpu time spent up to now is 153.8 secs Computing kpt #: 22 total cpu time spent up to now is 158.7 secs Computing kpt #: 23 total cpu time spent up to now is 163.7 secs Computing kpt #: 24 total cpu time spent up to now is 168.6 secs Computing kpt #: 25 total cpu time spent up to now is 173.3 secs Computing kpt #: 26 total cpu time spent up to now is 177.9 secs Computing kpt #: 27 total cpu time spent up to now is 182.6 secs Computing kpt #: 28 total cpu time spent up to now is 187.4 secs Computing kpt #: 29 total cpu time spent up to now is 192.2 secs Computing kpt #: 30 total cpu time spent up to now is 196.9 secs Computing kpt #: 31 total cpu time spent up to now is 201.6 secs Computing kpt #: 32 total cpu time spent up to now is 206.4 secs Computing kpt #: 33 total cpu time spent up to now is 211.2 secs Computing kpt #: 34 total cpu time spent up to now is 216.0 secs Computing kpt #: 35 total cpu time spent up to now is 220.9 secs Computing kpt #: 36 total cpu time spent up to now is 225.8 secs Computing kpt #: 37 total cpu time spent up to now is 230.9 secs Computing kpt #: 38 total cpu time spent up to now is 236.3 secs Computing kpt #: 39 total cpu time spent up to now is 241.4 secs Computing kpt #: 40 total cpu time spent up to now is 246.5 secs Computing kpt #: 41 total cpu time spent up to now is 251.7 secs Computing kpt #: 42 total cpu time spent up to now is 256.9 secs Computing kpt #: 43 total cpu time spent up to now is 262.2 secs Computing kpt #: 44 total cpu time spent up to now is 267.4 secs Computing kpt #: 45 total cpu time spent up to now is 272.5 secs Computing kpt #: 46 total cpu time spent up to now is 277.7 secs Computing kpt #: 47 total cpu time spent up to now is 282.8 secs Computing kpt #: 48 total cpu time spent up to now is 287.8 secs Computing kpt #: 49 total cpu time spent up to now is 292.8 secs Computing kpt #: 50 total cpu time spent up to now is 297.6 secs Computing kpt #: 51 total cpu time spent up to now is 302.4 secs Computing kpt #: 52 total cpu time spent up to now is 307.2 secs Computing kpt #: 53 total cpu time spent up to now is 312.0 secs Computing kpt #: 54 total cpu time spent up to now is 316.6 secs Computing kpt #: 55 total cpu time spent up to now is 321.3 secs Computing kpt #: 56 total cpu time spent up to now is 326.0 secs Computing kpt #: 57 total cpu time spent up to now is 330.6 secs Computing kpt #: 58 total cpu time spent up to now is 335.1 secs Computing kpt #: 59 total cpu time spent up to now is 339.8 secs Computing kpt #: 60 total cpu time spent up to now is 344.6 secs Computing kpt #: 61 total cpu time spent up to now is 349.5 secs Computing kpt #: 62 total cpu time spent up to now is 354.3 secs Computing kpt #: 63 total cpu time spent up to now is 359.3 secs Computing kpt #: 64 total cpu time spent up to now is 365.7 secs Computing kpt #: 65 total cpu time spent up to now is 371.8 secs Computing kpt #: 66 total cpu time spent up to now is 377.4 secs Computing kpt #: 67 total cpu time spent up to now is 382.9 secs Computing kpt #: 68 total cpu time spent up to now is 388.4 secs Computing kpt #: 69 total cpu time spent up to now is 393.8 secs Computing kpt #: 70 total cpu time spent up to now is 399.2 secs Computing kpt #: 71 total cpu time spent up to now is 404.8 secs Computing kpt #: 72 total cpu time spent up to now is 410.3 secs Computing kpt #: 73 total cpu time spent up to now is 415.9 secs Computing kpt #: 74 total cpu time spent up to now is 422.0 secs Computing kpt #: 75 total cpu time spent up to now is 427.6 secs Computing kpt #: 76 total cpu time spent up to now is 433.2 secs Computing kpt #: 77 total cpu time spent up to now is 438.7 secs Computing kpt #: 78 total cpu time spent up to now is 444.2 secs Computing kpt #: 79 total cpu time spent up to now is 449.4 secs Computing kpt #: 80 total cpu time spent up to now is 454.7 secs Computing kpt #: 81 total cpu time spent up to now is 459.9 secs Computing kpt #: 82 total cpu time spent up to now is 465.2 secs Computing kpt #: 83 total cpu time spent up to now is 470.6 secs Computing kpt #: 84 total cpu time spent up to now is 476.0 secs Computing kpt #: 85 total cpu time spent up to now is 481.3 secs Computing kpt #: 86 total cpu time spent up to now is 486.8 secs Computing kpt #: 87 total cpu time spent up to now is 492.2 secs Computing kpt #: 88 total cpu time spent up to now is 497.6 secs Computing kpt #: 89 total cpu time spent up to now is 502.8 secs Computing kpt #: 90 total cpu time spent up to now is 508.2 secs Computing kpt #: 91 total cpu time spent up to now is 513.7 secs Computing kpt #: 92 total cpu time spent up to now is 519.2 secs Computing kpt #: 93 total cpu time spent up to now is 524.8 secs Computing kpt #: 94 total cpu time spent up to now is 530.3 secs Computing kpt #: 95 total cpu time spent up to now is 534.8 secs Computing kpt #: 96 total cpu time spent up to now is 539.3 secs Computing kpt #: 97 total cpu time spent up to now is 544.6 secs Computing kpt #: 98 total cpu time spent up to now is 549.9 secs Computing kpt #: 99 total cpu time spent up to now is 555.1 secs Computing kpt #: 100 total cpu time spent up to now is 560.4 secs Computing kpt #: 101 total cpu time spent up to now is 565.8 secs Computing kpt #: 102 total cpu time spent up to now is 571.1 secs Computing kpt #: 103 total cpu time spent up to now is 576.6 secs Computing kpt #: 104 total cpu time spent up to now is 581.9 secs Computing kpt #: 105 total cpu time spent up to now is 587.2 secs Computing kpt #: 106 total cpu time spent up to now is 592.6 secs Computing kpt #: 107 total cpu time spent up to now is 597.8 secs Computing kpt #: 108 total cpu time spent up to now is 603.2 secs Computing kpt #: 109 total cpu time spent up to now is 608.5 secs Computing kpt #: 110 total cpu time spent up to now is 613.7 secs Computing kpt #: 111 total cpu time spent up to now is 618.9 secs Computing kpt #: 112 total cpu time spent up to now is 624.1 secs Computing kpt #: 113 total cpu time spent up to now is 629.3 secs Computing kpt #: 114 total cpu time spent up to now is 634.5 secs Computing kpt #: 115 total cpu time spent up to now is 639.7 secs Computing kpt #: 116 total cpu time spent up to now is 644.7 secs Computing kpt #: 117 total cpu time spent up to now is 649.8 secs Computing kpt #: 118 total cpu time spent up to now is 654.9 secs Computing kpt #: 119 total cpu time spent up to now is 660.0 secs Computing kpt #: 120 total cpu time spent up to now is 665.9 secs Computing kpt #: 121 total cpu time spent up to now is 671.0 secs Computing kpt #: 122 total cpu time spent up to now is 676.1 secs Computing kpt #: 123 total cpu time spent up to now is 681.2 secs Computing kpt #: 124 total cpu time spent up to now is 686.2 secs Computing kpt #: 125 total cpu time spent up to now is 691.2 secs Computing kpt #: 126 total cpu time spent up to now is 696.2 secs Computing kpt #: 127 total cpu time spent up to now is 701.1 secs Computing kpt #: 128 total cpu time spent up to now is 706.1 secs Computing kpt #: 129 total cpu time spent up to now is 711.1 secs Computing kpt #: 130 total cpu time spent up to now is 716.2 secs Computing kpt #: 131 total cpu time spent up to now is 721.2 secs Computing kpt #: 132 total cpu time spent up to now is 726.3 secs Computing kpt #: 133 total cpu time spent up to now is 731.3 secs Computing kpt #: 134 total cpu time spent up to now is 736.2 secs Computing kpt #: 135 total cpu time spent up to now is 741.3 secs Computing kpt #: 136 total cpu time spent up to now is 746.2 secs Computing kpt #: 137 total cpu time spent up to now is 751.3 secs Computing kpt #: 138 total cpu time spent up to now is 756.4 secs Computing kpt #: 139 total cpu time spent up to now is 761.8 secs Computing kpt #: 140 total cpu time spent up to now is 767.2 secs Computing kpt #: 141 total cpu time spent up to now is 772.6 secs Computing kpt #: 142 total cpu time spent up to now is 777.8 secs Computing kpt #: 143 total cpu time spent up to now is 783.1 secs Computing kpt #: 144 total cpu time spent up to now is 788.4 secs Computing kpt #: 145 total cpu time spent up to now is 793.7 secs Computing kpt #: 146 total cpu time spent up to now is 798.9 secs Computing kpt #: 147 total cpu time spent up to now is 804.2 secs Computing kpt #: 148 total cpu time spent up to now is 809.4 secs Computing kpt #: 149 total cpu time spent up to now is 814.6 secs Computing kpt #: 150 total cpu time spent up to now is 819.8 secs Computing kpt #: 151 total cpu time spent up to now is 824.8 secs Computing kpt #: 152 total cpu time spent up to now is 830.0 secs Computing kpt #: 153 total cpu time spent up to now is 835.0 secs Computing kpt #: 154 total cpu time spent up to now is 840.0 secs Computing kpt #: 155 total cpu time spent up to now is 845.0 secs Computing kpt #: 156 total cpu time spent up to now is 849.9 secs Computing kpt #: 157 total cpu time spent up to now is 854.8 secs Computing kpt #: 158 total cpu time spent up to now is 859.8 secs Computing kpt #: 159 total cpu time spent up to now is 865.2 secs Computing kpt #: 160 total cpu time spent up to now is 870.1 secs Computing kpt #: 161 total cpu time spent up to now is 875.0 secs Computing kpt #: 162 total cpu time spent up to now is 879.8 secs Computing kpt #: 163 total cpu time spent up to now is 884.6 secs Computing kpt #: 164 total cpu time spent up to now is 889.5 secs Computing kpt #: 165 total cpu time spent up to now is 894.3 secs Computing kpt #: 166 total cpu time spent up to now is 899.1 secs Computing kpt #: 167 total cpu time spent up to now is 904.0 secs Computing kpt #: 168 total cpu time spent up to now is 908.9 secs Computing kpt #: 169 total cpu time spent up to now is 913.9 secs Computing kpt #: 170 total cpu time spent up to now is 919.0 secs Computing kpt #: 171 total cpu time spent up to now is 924.1 secs Computing kpt #: 172 total cpu time spent up to now is 929.3 secs Computing kpt #: 173 total cpu time spent up to now is 934.6 secs Computing kpt #: 174 total cpu time spent up to now is 939.6 secs Computing kpt #: 175 total cpu time spent up to now is 944.5 secs Computing kpt #: 176 total cpu time spent up to now is 949.4 secs Computing kpt #: 177 total cpu time spent up to now is 954.2 secs Computing kpt #: 178 total cpu time spent up to now is 959.0 secs Computing kpt #: 179 total cpu time spent up to now is 965.2 secs Computing kpt #: 180 total cpu time spent up to now is 970.9 secs Computing kpt #: 181 total cpu time spent up to now is 975.6 secs Computing kpt #: 182 total cpu time spent up to now is 980.3 secs Computing kpt #: 183 total cpu time spent up to now is 984.8 secs Computing kpt #: 184 total cpu time spent up to now is 989.5 secs Computing kpt #: 185 total cpu time spent up to now is 994.1 secs Computing kpt #: 186 total cpu time spent up to now is 998.9 secs Computing kpt #: 187 total cpu time spent up to now is 1003.6 secs Computing kpt #: 188 total cpu time spent up to now is 1008.3 secs Computing kpt #: 189 total cpu time spent up to now is 1012.9 secs Computing kpt #: 190 total cpu time spent up to now is 1017.6 secs Computing kpt #: 191 total cpu time spent up to now is 1022.4 secs Computing kpt #: 192 total cpu time spent up to now is 1027.3 secs Computing kpt #: 193 total cpu time spent up to now is 1032.2 secs Computing kpt #: 194 total cpu time spent up to now is 1037.0 secs Computing kpt #: 195 total cpu time spent up to now is 1041.9 secs Computing kpt #: 196 total cpu time spent up to now is 1047.1 secs Computing kpt #: 197 total cpu time spent up to now is 1052.1 secs Computing kpt #: 198 total cpu time spent up to now is 1057.1 secs Computing kpt #: 199 total cpu time spent up to now is 1062.4 secs Computing kpt #: 200 total cpu time spent up to now is 1067.6 secs Computing kpt #: 201 total cpu time spent up to now is 1072.7 secs Computing kpt #: 202 total cpu time spent up to now is 1078.0 secs Computing kpt #: 203 total cpu time spent up to now is 1083.2 secs Computing kpt #: 204 total cpu time spent up to now is 1088.6 secs Computing kpt #: 205 total cpu time spent up to now is 1093.8 secs Computing kpt #: 206 total cpu time spent up to now is 1099.1 secs Computing kpt #: 207 total cpu time spent up to now is 1104.3 secs Computing kpt #: 208 total cpu time spent up to now is 1109.5 secs Computing kpt #: 209 total cpu time spent up to now is 1114.7 secs ethr = 1.43E-11, avg # of iterations = 24.7 total cpu time spent up to now is 1114.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7881 PWs) bands (ev): -48.1031 -48.1031 -25.7026 -25.7026 -23.6127 -23.6127 -23.6127 -23.6127 -5.1125 -5.1125 -3.7963 -3.7963 -3.7747 -3.7747 -3.7747 -3.7747 1.5856 1.5856 1.5856 1.5856 2.2568 2.2568 3.3013 3.3013 3.4578 3.4578 3.4578 3.4578 3.7511 3.7511 3.8894 3.8894 3.8894 3.8894 4.0592 4.0592 4.0592 4.0592 4.1970 4.1970 4.2273 4.2273 4.2273 4.2273 4.5926 4.5926 4.5926 4.5926 4.6123 4.6123 5.0139 5.0139 5.0139 5.0139 5.0158 5.0158 5.1643 5.1643 5.2469 5.2469 5.4939 5.4939 5.4939 5.4939 6.4732 6.4732 6.5636 6.5636 6.5636 6.5636 8.1796 8.1796 8.1796 8.1796 8.2939 8.2939 8.7231 8.7231 8.7231 8.7231 9.3851 9.3851 10.9297 10.9297 k = 0.0000 0.0185-0.0000 ( 7869 PWs) bands (ev): -48.1031 -48.1031 -25.7026 -25.7026 -23.6127 -23.6127 -23.6127 -23.6127 -5.1116 -5.1116 -3.7968 -3.7968 -3.7756 -3.7756 -3.7747 -3.7747 1.5861 1.5861 1.5879 1.5879 2.2580 2.2580 3.3010 3.3010 3.4564 3.4564 3.4587 3.4587 3.7504 3.7504 3.8847 3.8847 3.8926 3.8926 4.0536 4.0536 4.0642 4.0642 4.1973 4.1973 4.2274 4.2274 4.2280 4.2280 4.5898 4.5898 4.5946 4.5946 4.6120 4.6120 5.0053 5.0053 5.0143 5.0143 5.0241 5.0241 5.1639 5.1639 5.2464 5.2464 5.4909 5.4909 5.4945 5.4945 6.4714 6.4714 6.5604 6.5604 6.5643 6.5643 8.1789 8.1789 8.1822 8.1822 8.2947 8.2947 8.7183 8.7183 8.7242 8.7242 9.3965 9.3965 10.9294 10.9294 k = 0.0000 0.0370-0.0000 ( 7861 PWs) bands (ev): -48.1030 -48.1030 -25.7026 -25.7026 -23.6127 -23.6127 -23.6127 -23.6127 -5.1089 -5.1089 -3.7985 -3.7985 -3.7781 -3.7781 -3.7747 -3.7747 1.5887 1.5887 1.5935 1.5935 2.2615 2.2615 3.2999 3.2999 3.4542 3.4542 3.4596 3.4596 3.7481 3.7481 3.8787 3.8787 3.8943 3.8943 4.0472 4.0472 4.0686 4.0686 4.1981 4.1981 4.2281 4.2281 4.2298 4.2298 4.5860 4.5860 4.5957 4.5957 4.6113 4.6113 4.9956 4.9956 5.0152 5.0152 5.0328 5.0328 5.1627 5.1627 5.2451 5.2451 5.4854 5.4854 5.4929 5.4929 6.4657 6.4657 6.5533 6.5533 6.5639 6.5639 8.1772 8.1772 8.1895 8.1895 8.2968 8.2968 8.7053 8.7053 8.7273 8.7273 9.4294 9.4294 10.9314 10.9314 k = 0.0000 0.0556-0.0000 ( 7889 PWs) bands (ev): -48.1031 -48.1031 -25.7026 -25.7026 -23.6127 -23.6127 -23.6127 -23.6127 -5.1044 -5.1044 -3.8022 -3.8022 -3.7812 -3.7812 -3.7746 -3.7746 1.5932 1.5932 1.6024 1.6024 2.2673 2.2673 3.2980 3.2980 3.4507 3.4507 3.4608 3.4608 3.7441 3.7441 3.8713 3.8713 3.8944 3.8944 4.0399 4.0399 4.0726 4.0726 4.1993 4.1993 4.2292 4.2292 4.2328 4.2328 4.5810 4.5810 4.5960 4.5960 4.6104 4.6104 4.9860 4.9860 5.0165 5.0165 5.0410 5.0410 5.1604 5.1604 5.2431 5.2431 5.4774 5.4774 5.4896 5.4896 6.4552 6.4552 6.5429 6.5429 6.5628 6.5628 8.1740 8.1740 8.2015 8.2015 8.3001 8.3001 8.6873 8.6873 8.7324 8.7324 9.4806 9.4806 10.9350 10.9350 k = 0.0000 0.0741-0.0000 ( 7897 PWs) bands (ev): -48.1032 -48.1032 -25.7026 -25.7026 -23.6127 -23.6127 -23.6127 -23.6127 -5.0982 -5.0982 -3.8092 -3.8092 -3.7838 -3.7838 -3.7745 -3.7745 1.5995 1.5995 1.6149 1.6149 2.2755 2.2755 3.2951 3.2951 3.4462 3.4462 3.4623 3.4623 3.7383 3.7383 3.8629 3.8629 3.8931 3.8931 4.0317 4.0317 4.0763 4.0763 4.2010 4.2010 4.2307 4.2307 4.2370 4.2370 4.5747 4.5747 4.5955 4.5955 4.6093 4.6093 4.9766 4.9766 5.0181 5.0181 5.0486 5.0486 5.1571 5.1571 5.2407 5.2407 5.4670 5.4670 5.4847 5.4847 6.4390 6.4390 6.5308 6.5308 6.5612 6.5612 8.1691 8.1691 8.2178 8.2178 8.3044 8.3044 8.6679 8.6679 8.7392 8.7392 9.5464 9.5464 10.9397 10.9397 k = 0.0000 0.0926-0.0000 ( 7901 PWs) bands (ev): -48.1032 -48.1032 -25.7026 -25.7026 -23.6128 -23.6128 -23.6127 -23.6127 -5.0902 -5.0902 -3.8197 -3.8197 -3.7854 -3.7854 -3.7745 -3.7745 1.6076 1.6076 1.6307 1.6307 2.2859 2.2859 3.2910 3.2910 3.4409 3.4409 3.4642 3.4642 3.7303 3.7303 3.8537 3.8537 3.8904 3.8904 4.0223 4.0223 4.0797 4.0797 4.2031 4.2031 4.2328 4.2328 4.2426 4.2426 4.5672 4.5672 4.5939 4.5939 4.6083 4.6083 4.9676 4.9676 5.0198 5.0198 5.0556 5.0556 5.1524 5.1524 5.2383 5.2383 5.4543 5.4543 5.4787 5.4787 6.4162 6.4162 6.5186 6.5186 6.5592 6.5592 8.1620 8.1620 8.2379 8.2379 8.3095 8.3095 8.6501 8.6501 8.7475 8.7475 9.6233 9.6233 10.9454 10.9454 k = 0.0000 0.1111-0.0000 ( 7917 PWs) bands (ev): -48.1033 -48.1033 -25.7026 -25.7026 -23.6128 -23.6128 -23.6127 -23.6127 -5.0805 -5.0805 -3.8336 -3.8336 -3.7862 -3.7862 -3.7743 -3.7743 1.6175 1.6175 1.6500 1.6500 2.2986 2.2986 3.2853 3.2853 3.4351 3.4351 3.4664 3.4664 3.7196 3.7196 3.8441 3.8441 3.8860 3.8860 4.0116 4.0116 4.0830 4.0830 4.2056 4.2056 4.2353 4.2353 4.2493 4.2493 4.5584 4.5584 4.5913 4.5913 4.6075 4.6075 4.9592 4.9592 5.0211 5.0211 5.0621 5.0621 5.1463 5.1463 5.2363 5.2363 5.4398 5.4398 5.4720 5.4720 6.3869 6.3869 6.5072 6.5072 6.5566 6.5566 8.1524 8.1524 8.2613 8.2613 8.3150 8.3150 8.6360 8.6360 8.7570 8.7570 9.7087 9.7087 10.9519 10.9519 k = 0.0000 0.1296-0.0000 ( 7917 PWs) bands (ev): -48.1033 -48.1033 -25.7026 -25.7026 -23.6128 -23.6128 -23.6127 -23.6127 -5.0691 -5.0691 -3.8503 -3.8503 -3.7866 -3.7866 -3.7742 -3.7742 1.6290 1.6290 1.6725 1.6725 2.3135 2.3135 3.2777 3.2777 3.4291 3.4291 3.4689 3.4689 3.7060 3.7060 3.8346 3.8346 3.8802 3.8802 3.9997 3.9997 4.0862 4.0862 4.2085 4.2085 4.2384 4.2384 4.2572 4.2572 4.5485 4.5485 4.5875 4.5875 4.6069 4.6069 4.9515 4.9515 5.0217 5.0217 5.0678 5.0678 5.1387 5.1387 5.2350 5.2350 5.4237 5.4237 5.4650 5.4650 6.3519 6.3519 6.4968 6.4968 6.5536 6.5536 8.1403 8.1403 8.2873 8.2873 8.3209 8.3209 8.6267 8.6267 8.7673 8.7673 9.8005 9.8005 10.9590 10.9590 k = 0.0000 0.1481-0.0000 ( 7909 PWs) bands (ev): -48.1032 -48.1032 -25.7026 -25.7026 -23.6128 -23.6128 -23.6127 -23.6127 -5.0560 -5.0560 -3.8696 -3.8696 -3.7868 -3.7868 -3.7741 -3.7741 1.6421 1.6421 1.6982 1.6982 2.3306 2.3306 3.2679 3.2679 3.4234 3.4234 3.4717 3.4717 3.6891 3.6891 3.8255 3.8255 3.8726 3.8726 3.9865 3.9865 4.0893 4.0893 4.2119 4.2119 4.2420 4.2420 4.2662 4.2662 4.5377 4.5377 4.5828 4.5828 4.6064 4.6064 4.9444 4.9444 5.0211 5.0211 5.0725 5.0725 5.1301 5.1301 5.2349 5.2349 5.4066 5.4066 5.4580 5.4580 6.3124 6.3124 6.4871 6.4871 6.5502 6.5502 8.1258 8.1258 8.3150 8.3150 8.3271 8.3271 8.6224 8.6224 8.7781 8.7781 9.8968 9.8968 10.9668 10.9668 k = 0.0000 0.1667-0.0000 ( 7905 PWs) bands (ev): -48.1032 -48.1032 -25.7026 -25.7026 -23.6129 -23.6129 -23.6127 -23.6127 -5.0413 -5.0413 -3.8913 -3.8913 -3.7868 -3.7868 -3.7739 -3.7739 1.6568 1.6568 1.7270 1.7270 2.3498 2.3498 3.2554 3.2554 3.4183 3.4183 3.4747 3.4747 3.6687 3.6687 3.8169 3.8169 3.8631 3.8631 3.9722 3.9722 4.0924 4.0924 4.2159 4.2159 4.2463 4.2463 4.2760 4.2760 4.5263 4.5263 4.5771 4.5771 4.6059 4.6059 4.9380 4.9380 5.0189 5.0189 5.0751 5.0751 5.1215 5.1215 5.2363 5.2363 5.3889 5.3889 5.4514 5.4514 6.2695 6.2695 6.4780 6.4780 6.5465 6.5465 8.1094 8.1094 8.3323 8.3323 8.3453 8.3453 8.6229 8.6229 8.7889 8.7889 9.9960 9.9960 10.9756 10.9756 k = 0.0000 0.1852-0.0000 ( 7893 PWs) bands (ev): -48.1032 -48.1032 -25.7027 -25.7027 -23.6129 -23.6129 -23.6127 -23.6127 -5.0249 -5.0249 -3.9151 -3.9151 -3.7866 -3.7866 -3.7738 -3.7738 1.6728 1.6728 1.7588 1.7588 2.3711 2.3711 3.2402 3.2402 3.4140 3.4140 3.4780 3.4780 3.6450 3.6450 3.8087 3.8087 3.8514 3.8514 3.9572 3.9572 4.0955 4.0955 4.2204 4.2204 4.2512 4.2512 4.2867 4.2867 4.5146 4.5146 4.5707 4.5707 4.6056 4.6056 4.9319 4.9319 5.0146 5.0146 5.0735 5.0735 5.1156 5.1156 5.2392 5.2392 5.3711 5.3711 5.4455 5.4455 6.2242 6.2242 6.4693 6.4693 6.5424 6.5424 8.0916 8.0916 8.3386 8.3386 8.3751 8.3751 8.6273 8.6273 8.7995 8.7995 10.0966 10.0966 10.9857 10.9857 k = 0.0000 0.2037-0.0000 ( 7901 PWs) bands (ev): -48.1032 -48.1032 -25.7027 -25.7027 -23.6130 -23.6130 -23.6127 -23.6127 -5.0069 -5.0069 -3.9409 -3.9409 -3.7865 -3.7865 -3.7736 -3.7736 1.6902 1.6902 1.7933 1.7933 2.3944 2.3944 3.2220 3.2220 3.4107 3.4107 3.4814 3.4814 3.6182 3.6182 3.8002 3.8002 3.8375 3.8375 3.9420 3.9420 4.0984 4.0984 4.2256 4.2256 4.2567 4.2567 4.2981 4.2981 4.5026 4.5026 4.5636 4.5636 4.6052 4.6052 4.9258 4.9258 5.0080 5.0080 5.0655 5.0655 5.1152 5.1152 5.2438 5.2438 5.3537 5.3537 5.4404 5.4404 6.1774 6.1774 6.4609 6.4609 6.5381 6.5381 8.0732 8.0732 8.3447 8.3447 8.4052 8.4052 8.6348 8.6348 8.8095 8.8095 10.1971 10.1971 10.9977 10.9977 k = 0.0000 0.2222-0.0000 ( 7889 PWs) bands (ev): -48.1031 -48.1031 -25.7027 -25.7027 -23.6130 -23.6130 -23.6127 -23.6127 -4.9874 -4.9874 -3.9685 -3.9685 -3.7862 -3.7862 -3.7734 -3.7734 1.7088 1.7088 1.8305 1.8305 2.4197 2.4197 3.2011 3.2011 3.4083 3.4083 3.4849 3.4849 3.5888 3.5888 3.7892 3.7892 3.8228 3.8228 3.9273 3.9273 4.1013 4.1013 4.2313 4.2313 4.2629 4.2629 4.3100 4.3100 4.4908 4.4908 4.5562 4.5562 4.6049 4.6049 4.9193 4.9193 4.9987 4.9987 5.0522 5.0522 5.1196 5.1196 5.2499 5.2499 5.3371 5.3371 5.4362 5.4362 6.1300 6.1300 6.4528 6.4528 6.5336 6.5336 8.0546 8.0546 8.3508 8.3508 8.4350 8.4350 8.6445 8.6445 8.8187 8.8187 10.2956 10.2956 11.0122 11.0122 k = 0.0000 0.2407-0.0000 ( 7869 PWs) bands (ev): -48.1031 -48.1031 -25.7027 -25.7027 -23.6130 -23.6130 -23.6127 -23.6127 -4.9665 -4.9665 -3.9977 -3.9977 -3.7860 -3.7860 -3.7733 -3.7733 1.7283 1.7283 1.8702 1.8702 2.4468 2.4468 3.1775 3.1775 3.4068 3.4068 3.4885 3.4885 3.5572 3.5572 3.7720 3.7720 3.8105 3.8105 3.9136 3.9136 4.1041 4.1041 4.2378 4.2378 4.2698 4.2698 4.3225 4.3225 4.4794 4.4794 4.5486 4.5486 4.6046 4.6046 4.9120 4.9120 4.9867 4.9867 5.0363 5.0363 5.1271 5.1271 5.2574 5.2574 5.3217 5.3217 5.4330 5.4330 6.0823 6.0823 6.4450 6.4450 6.5290 6.5290 8.0364 8.0364 8.3567 8.3567 8.4638 8.4638 8.6557 8.6557 8.8268 8.8268 10.3905 10.3905 11.0302 11.0302 k = 0.0000 0.2593-0.0000 ( 7865 PWs) bands (ev): -48.1030 -48.1030 -25.7027 -25.7027 -23.6131 -23.6131 -23.6127 -23.6127 -4.9441 -4.9441 -4.0283 -4.0283 -3.7857 -3.7857 -3.7731 -3.7731 1.7488 1.7488 1.9122 1.9122 2.4757 2.4757 3.1513 3.1513 3.4059 3.4059 3.4920 3.4920 3.5239 3.5239 3.7465 3.7465 3.8025 3.8025 3.9011 3.9011 4.1067 4.1067 4.2449 4.2449 4.2773 4.2773 4.3353 4.3353 4.4685 4.4685 4.5410 4.5410 4.6043 4.6043 4.9033 4.9033 4.9720 4.9720 5.0193 5.0193 5.1368 5.1368 5.2656 5.2656 5.3083 5.3083 5.4307 5.4307 6.0350 6.0350 6.4377 6.4377 6.5244 6.5244 8.0189 8.0189 8.3624 8.3624 8.4912 8.4912 8.6678 8.6678 8.8338 8.8338 10.4795 10.4795 11.0524 11.0524 k = 0.0000 0.2778-0.0000 ( 7865 PWs) bands (ev): -48.1030 -48.1030 -25.7027 -25.7027 -23.6131 -23.6131 -23.6127 -23.6127 -4.9204 -4.9204 -4.0602 -4.0602 -3.7854 -3.7854 -3.7729 -3.7729 1.7698 1.7698 1.9563 1.9563 2.5062 2.5062 3.1228 3.1228 3.4057 3.4057 3.4893 3.4893 3.4956 3.4956 3.7143 3.7143 3.7974 3.7974 3.8897 3.8897 4.1092 4.1092 4.2526 4.2526 4.2855 4.2855 4.3483 4.3483 4.4583 4.4583 4.5337 4.5337 4.6040 4.6040 4.8931 4.8931 4.9548 4.9548 5.0024 5.0024 5.1483 5.1483 5.2723 5.2723 5.2989 5.2989 5.4290 5.4290 5.9885 5.9885 6.4307 6.4307 6.5198 6.5198 8.0024 8.0024 8.3679 8.3679 8.5169 8.5169 8.6801 8.6801 8.8394 8.8394 10.5608 10.5608 11.0790 11.0790 k = 0.0000 0.2963-0.0000 ( 7877 PWs) bands (ev): -48.1031 -48.1031 -25.7027 -25.7027 -23.6132 -23.6132 -23.6127 -23.6127 -4.8954 -4.8954 -4.0931 -4.0931 -3.7851 -3.7851 -3.7727 -3.7727 1.7913 1.7913 2.0023 2.0023 2.5383 2.5383 3.0921 3.0921 3.4057 3.4057 3.4543 3.4543 3.4988 3.4988 3.6770 3.6770 3.7939 3.7939 3.8793 3.8793 4.1115 4.1115 4.2610 4.2610 4.2942 4.2942 4.3612 4.3612 4.4491 4.4491 4.5267 4.5267 4.6037 4.6037 4.8811 4.8811 4.9355 4.9355 4.9862 4.9862 5.1613 5.1613 5.2719 5.2719 5.2991 5.2991 5.4279 5.4279 5.9430 5.9430 6.4241 6.4241 6.5153 6.5153 7.9871 7.9871 8.3731 8.3731 8.5406 8.5406 8.6924 8.6924 8.8438 8.8438 10.6329 10.6329 11.1095 11.1095 k = 0.0000 0.3148-0.0000 ( 7889 PWs) bands (ev): -48.1031 -48.1031 -25.7027 -25.7027 -23.6132 -23.6132 -23.6127 -23.6127 -4.8693 -4.8693 -4.1269 -4.1269 -3.7848 -3.7848 -3.7726 -3.7726 1.8128 1.8128 2.0498 2.0498 2.5716 2.5716 3.0596 3.0596 3.4061 3.4061 3.4192 3.4192 3.5019 3.5019 3.6360 3.6360 3.7914 3.7914 3.8698 3.8698 4.1135 4.1135 4.2698 4.2698 4.3035 4.3035 4.3739 4.3739 4.4410 4.4410 4.5202 4.5202 4.6033 4.6033 4.8674 4.8674 4.9146 4.9146 4.9709 4.9709 5.1756 5.1756 5.2651 5.2651 5.3079 5.3079 5.4272 5.4272 5.8988 5.8988 6.4180 6.4180 6.5111 6.5111 7.9731 7.9731 8.3780 8.3780 8.5621 8.5621 8.7044 8.7044 8.8470 8.8470 10.6951 10.6951 11.1419 11.1419 k = 0.0000 0.3333-0.0000 ( 7893 PWs) bands (ev): -48.1031 -48.1031 -25.7028 -25.7028 -23.6132 -23.6132 -23.6127 -23.6127 -4.8421 -4.8421 -4.1613 -4.1613 -3.7845 -3.7845 -3.7724 -3.7724 1.8342 1.8342 2.0988 2.0988 2.6059 2.6059 3.0256 3.0256 3.3847 3.3847 3.4065 3.4065 3.5046 3.5046 3.5923 3.5923 3.7898 3.7898 3.8611 3.8611 4.1154 4.1154 4.2791 4.2791 4.3131 4.3131 4.3858 4.3858 4.4344 4.4344 4.5144 4.5144 4.6029 4.6029 4.8522 4.8522 4.8930 4.8930 4.9567 4.9567 5.1909 5.1909 5.2574 5.2574 5.3196 5.3196 5.4268 5.4268 5.8562 5.8562 6.4124 6.4124 6.5071 6.5071 7.9605 7.9605 8.3825 8.3825 8.5813 8.5813 8.7158 8.7158 8.8490 8.8490 10.7480 10.7480 11.1728 11.1728 k = 0.0000 0.3519-0.0000 ( 7876 PWs) bands (ev): -48.1031 -48.1031 -25.7028 -25.7028 -23.6133 -23.6133 -23.6127 -23.6127 -4.8141 -4.8141 -4.1961 -4.1961 -3.7843 -3.7843 -3.7723 -3.7723 1.8551 1.8551 2.1488 2.1488 2.6408 2.6408 2.9907 2.9907 3.3514 3.3514 3.4067 3.4067 3.5062 3.5062 3.5476 3.5476 3.7890 3.7890 3.8529 3.8529 4.1171 4.1171 4.2888 4.2888 4.3229 4.3229 4.3960 4.3960 4.4301 4.4301 4.5092 4.5092 4.6025 4.6025 4.8362 4.8362 4.8712 4.8712 4.9437 4.9437 5.2067 5.2067 5.2507 5.2507 5.3324 5.3324 5.4265 5.4265 5.8154 5.8154 6.4073 6.4073 6.5034 6.5034 7.9494 7.9494 8.3866 8.3866 8.5982 8.5982 8.7265 8.7265 8.8501 8.8501 10.7931 10.7931 11.1979 11.1979 k = 0.0000 0.3704-0.0000 ( 7872 PWs) bands (ev): -48.1031 -48.1031 -25.7028 -25.7028 -23.6133 -23.6133 -23.6127 -23.6127 -4.7854 -4.7854 -4.2309 -4.2309 -3.7840 -3.7840 -3.7722 -3.7722 1.8750 1.8750 2.1995 2.1995 2.6753 2.6753 2.9556 2.9556 3.3200 3.3200 3.4060 3.4060 3.4938 3.4938 3.5160 3.5160 3.7888 3.7888 3.8452 3.8452 4.1185 4.1185 4.2987 4.2987 4.3326 4.3326 4.4023 4.4023 4.4301 4.4301 4.5048 4.5048 4.6018 4.6018 4.8197 4.8197 4.8499 4.8499 4.9317 4.9317 5.2216 5.2216 5.2460 5.2460 5.3456 5.3456 5.4264 5.4264 5.7764 5.7764 6.4028 6.4028 6.5000 6.5000 7.9396 7.9396 8.3902 8.3902 8.6127 8.6127 8.7363 8.7363 8.8504 8.8504 10.8322 10.8322 11.2138 11.2138 k = 0.0000 0.3889-0.0000 ( 7864 PWs) bands (ev): -48.1030 -48.1030 -25.7028 -25.7028 -23.6133 -23.6133 -23.6127 -23.6127 -4.7563 -4.7563 -4.2655 -4.2655 -3.7838 -3.7838 -3.7721 -3.7721 1.8936 1.8936 2.2504 2.2504 2.7074 2.7074 2.9221 2.9221 3.2910 3.2910 3.4018 3.4018 3.4538 3.4538 3.5147 3.5147 3.7893 3.7893 3.8381 3.8381 4.1198 4.1198 4.3086 4.3086 4.3417 4.3417 4.4035 4.4035 4.4353 4.4353 4.5010 4.5010 4.6011 4.6011 4.8036 4.8036 4.8297 4.8297 4.9209 4.9209 5.2306 5.2306 5.2481 5.2481 5.3589 5.3589 5.4265 5.4265 5.7396 5.7396 6.3988 6.3988 6.4970 6.4970 7.9313 7.9313 8.3934 8.3934 8.6250 8.6250 8.7452 8.7452 8.8500 8.8500 10.8671 10.8671 11.2194 11.2194 k = 0.0000 0.4074-0.0000 ( 7868 PWs) bands (ev): -48.1030 -48.1030 -25.7028 -25.7028 -23.6134 -23.6134 -23.6127 -23.6127 -4.7273 -4.7273 -4.2992 -4.2992 -3.7836 -3.7836 -3.7720 -3.7720 1.9103 1.9103 2.3011 2.3011 2.7329 2.7329 2.8944 2.8944 3.2651 3.2651 3.3816 3.3816 3.4271 3.4271 3.5160 3.5160 3.7903 3.7903 3.8313 3.8313 4.1208 4.1208 4.3182 4.3182 4.3499 4.3499 4.4021 4.4021 4.4433 4.4433 4.4979 4.4979 4.6003 4.6003 4.7886 4.7886 4.8111 4.8111 4.9113 4.9113 5.2300 5.2300 5.2600 5.2600 5.3718 5.3718 5.4271 5.4271 5.7053 5.7053 6.3954 6.3954 6.4945 6.4945 7.9243 7.9243 8.3961 8.3961 8.6351 8.6351 8.7529 8.7529 8.8493 8.8493 10.8988 10.8988 11.2158 11.2158 k = 0.0000 0.4259-0.0000 ( 7884 PWs) bands (ev): -48.1031 -48.1031 -25.7028 -25.7028 -23.6134 -23.6134 -23.6127 -23.6127 -4.6991 -4.6991 -4.3315 -4.3315 -3.7834 -3.7834 -3.7719 -3.7719 1.9249 1.9249 2.3507 2.3507 2.7428 2.7428 2.8812 2.8812 3.2430 3.2430 3.3428 3.3428 3.4203 3.4203 3.5174 3.5174 3.7919 3.7919 3.8250 3.8250 4.1217 4.1217 4.3275 4.3275 4.3563 4.3563 4.4003 4.4003 4.4514 4.4514 4.4954 4.4954 4.5993 4.5993 4.7752 4.7752 4.7946 4.7946 4.9030 4.9030 5.2274 5.2274 5.2733 5.2733 5.3834 5.3834 5.4288 5.4288 5.6738 5.6738 6.3926 6.3926 6.4924 6.4924 7.9187 7.9187 8.3984 8.3984 8.6431 8.6431 8.7593 8.7593 8.8483 8.8483 10.9279 10.9279 11.2053 11.2053 k = 0.0000 0.4444-0.0000 ( 7872 PWs) bands (ev): -48.1031 -48.1031 -25.7028 -25.7028 -23.6134 -23.6134 -23.6127 -23.6127 -4.6726 -4.6726 -4.3611 -4.3611 -3.7833 -3.7833 -3.7718 -3.7718 1.9367 1.9367 2.3980 2.3980 2.7308 2.7308 2.8882 2.8882 3.2252 3.2252 3.3021 3.3021 3.4188 3.4188 3.5185 3.5185 3.7941 3.7941 3.8193 3.8193 4.1223 4.1223 4.3361 4.3361 4.3605 4.3605 4.3994 4.3994 4.4588 4.4588 4.4936 4.4936 4.5982 4.5982 4.7643 4.7643 4.7810 4.7810 4.8963 4.8963 5.2250 5.2250 5.2852 5.2852 5.3923 5.3923 5.4328 5.4328 5.6460 5.6460 6.3904 6.3904 6.4907 6.4907 7.9143 7.9143 8.4001 8.4001 8.6492 8.6492 8.7645 8.7645 8.8473 8.8473 10.9542 10.9542 11.1908 11.1908 k = 0.0000 0.4630-0.0000 ( 7888 PWs) bands (ev): -48.1031 -48.1031 -25.7028 -25.7028 -23.6134 -23.6134 -23.6127 -23.6127 -4.6498 -4.6498 -4.3861 -4.3861 -3.7832 -3.7832 -3.7718 -3.7718 1.9455 1.9455 2.4407 2.4407 2.7059 2.7059 2.9063 2.9063 3.2124 3.2124 3.2664 3.2664 3.4184 3.4184 3.5194 3.5194 3.7968 3.7968 3.8139 3.8139 4.1228 4.1228 4.3437 4.3437 4.3618 4.3618 4.3994 4.3994 4.4646 4.4646 4.4922 4.4922 4.5972 4.5972 4.7561 4.7561 4.7706 4.7706 4.8914 4.8914 5.2233 5.2233 5.2944 5.2944 5.3976 5.3976 5.4391 5.4391 5.6234 5.6234 6.3889 6.3889 6.4895 6.4895 7.9112 7.9112 8.4014 8.4014 8.6535 8.6535 8.7683 8.7683 8.8465 8.8465 10.9766 10.9766 11.1754 11.1754 k = 0.0000 0.4815-0.0000 ( 7888 PWs) bands (ev): -48.1031 -48.1031 -25.7028 -25.7028 -23.6134 -23.6134 -23.6127 -23.6127 -4.6337 -4.6337 -4.4037 -4.4037 -3.7832 -3.7832 -3.7717 -3.7717 1.9509 1.9509 2.4734 2.4734 2.6815 2.6815 2.9228 2.9228 3.2050 3.2050 3.2410 3.2410 3.4184 3.4184 3.5199 3.5199 3.7999 3.7999 3.8093 3.8093 4.1231 4.1231 4.3500 4.3500 4.3606 4.3606 4.3999 4.3999 4.4684 4.4684 4.4912 4.4912 4.5966 4.5966 4.7511 4.7511 4.7641 4.7641 4.8883 4.8883 5.2222 5.2222 5.3003 5.3003 5.4000 5.4000 5.4453 5.4453 5.6079 5.6079 6.3879 6.3879 6.4888 6.4888 7.9094 7.9094 8.4021 8.4021 8.6560 8.6560 8.7705 8.7705 8.8459 8.8459 10.9926 10.9926 11.1631 11.1631 k = 0.0000 0.5000-0.0000 ( 7920 PWs) bands (ev): -48.1032 -48.1032 -25.7028 -25.7028 -23.6134 -23.6134 -23.6127 -23.6127 -4.6277 -4.6277 -4.4101 -4.4101 -3.7831 -3.7831 -3.7717 -3.7717 1.9527 1.9527 2.4866 2.4866 2.6707 2.6707 2.9294 2.9294 3.2028 3.2028 3.2314 3.2314 3.4183 3.4183 3.5200 3.5200 3.8022 3.8022 3.8065 3.8065 4.1231 4.1231 4.3533 4.3533 4.3589 4.3589 4.4001 4.4001 4.4697 4.4697 4.4908 4.4908 4.5963 4.5963 4.7494 4.7494 4.7619 4.7619 4.8873 4.8873 5.2218 5.2218 5.3022 5.3022 5.4005 5.4005 5.4479 5.4479 5.6023 5.6023 6.3876 6.3876 6.4885 6.4885 7.9087 7.9087 8.4024 8.4024 8.6568 8.6568 8.7713 8.7713 8.8457 8.8457 10.9986 10.9986 11.1583 11.1583 k = 0.0000 0.5000-0.0000 ( 7920 PWs) bands (ev): -48.1032 -48.1032 -25.7028 -25.7028 -23.6134 -23.6134 -23.6127 -23.6127 -4.6277 -4.6277 -4.4101 -4.4101 -3.7831 -3.7831 -3.7717 -3.7717 1.9527 1.9527 2.4866 2.4866 2.6707 2.6707 2.9294 2.9294 3.2028 3.2028 3.2314 3.2314 3.4183 3.4183 3.5200 3.5200 3.8022 3.8022 3.8065 3.8065 4.1231 4.1231 4.3533 4.3533 4.3589 4.3589 4.4001 4.4001 4.4697 4.4697 4.4908 4.4908 4.5963 4.5963 4.7494 4.7494 4.7619 4.7619 4.8873 4.8873 5.2218 5.2218 5.3022 5.3022 5.4005 5.4005 5.4479 5.4479 5.6023 5.6023 6.3876 6.3876 6.4885 6.4885 7.9087 7.9087 8.4024 8.4024 8.6568 8.6568 8.7713 8.7713 8.8457 8.8457 10.9986 10.9986 11.1583 11.1583 k = 0.0185 0.5000-0.0000 ( 7888 PWs) bands (ev): -48.1031 -48.1031 -25.7028 -25.7028 -23.6134 -23.6134 -23.6127 -23.6127 -4.6270 -4.6270 -4.4099 -4.4094 -3.7841 -3.7834 -3.7724 -3.7723 1.9505 1.9566 2.4858 2.4870 2.6695 2.6713 2.9256 2.9331 3.1972 3.2081 3.2269 3.2361 3.4180 3.4187 3.5188 3.5210 3.7998 3.8022 3.8071 3.8071 4.1226 4.1235 4.3472 4.3550 4.3575 4.3602 4.3916 4.4056 4.4630 4.4775 4.4826 4.4980 4.5897 4.6025 4.7387 4.7593 4.7612 4.7674 4.8849 4.8955 5.2087 5.2387 5.2980 5.3048 5.3959 5.3998 5.4465 5.4483 5.6021 5.6089 6.3812 6.3908 6.4821 6.4919 7.9088 7.9125 8.4036 8.4050 8.6389 8.6732 8.7594 8.7791 8.8450 8.8499 11.0003 11.0074 11.1519 11.1708 k = 0.0370 0.5000-0.0000 ( 7888 PWs) bands (ev): -48.1031 -48.1031 -25.7028 -25.7028 -23.6134 -23.6134 -23.6127 -23.6127 -4.6250 -4.6249 -4.4087 -4.4077 -3.7864 -3.7850 -3.7743 -3.7742 1.9497 1.9619 2.4844 2.4869 2.6676 2.6712 2.9214 2.9364 3.1915 3.2124 3.2235 3.2409 3.4176 3.4190 3.5173 3.5217 3.7957 3.8006 3.8077 3.8079 4.1220 4.1237 4.3372 4.3476 4.3592 4.3605 4.3827 4.4076 4.4577 4.4708 4.4900 4.5023 4.5836 4.6071 4.7301 4.7593 4.7693 4.7788 4.8883 4.9096 5.1994 5.2574 5.2933 5.3054 5.3852 5.3956 5.4458 5.4460 5.6081 5.6205 6.3719 6.3910 6.4728 6.4922 7.9127 7.9202 8.4088 8.4112 8.6211 8.6850 8.7485 8.7776 8.8453 8.8610 11.0123 11.0265 11.1516 11.1894 k = 0.0556 0.5000-0.0000 ( 7884 PWs) bands (ev): -48.1031 -48.1031 -25.7028 -25.7028 -23.6134 -23.6134 -23.6127 -23.6127 -4.6216 -4.6215 -4.4065 -4.4050 -3.7899 -3.7879 -3.7775 -3.7773 1.9505 1.9687 2.4825 2.4863 2.6650 2.6704 2.9170 2.9395 3.1857 3.2128 3.2241 3.2459 3.4171 3.4193 3.5156 3.5220 3.7903 3.7986 3.8075 3.8086 4.1211 4.1238 4.3225 4.3338 4.3602 4.3604 4.3760 4.4073 4.4533 4.4626 4.5013 4.5044 4.5783 4.6090 4.7242 4.7611 4.7735 4.7946 4.8976 4.9289 5.1934 5.2682 5.2957 5.3047 5.3713 5.3896 5.4415 5.4462 5.6189 5.6354 6.3596 6.3882 6.4612 6.4894 7.9204 7.9317 8.4180 8.4206 8.6043 8.6891 8.7419 8.7667 8.8472 8.8789 11.0346 11.0554 11.1573 11.2136 k = 0.0741 0.5000-0.0000 ( 7872 PWs) bands (ev): -48.1031 -48.1031 -25.7028 -25.7028 -23.6134 -23.6134 -23.6127 -23.6127 -4.6168 -4.6167 -4.4033 -4.4014 -3.7947 -3.7921 -3.7819 -3.7815 1.9528 1.9770 2.4800 2.4852 2.6615 2.6690 2.9126 2.9424 3.1800 3.2094 3.2286 3.2511 3.4167 3.4196 3.5137 3.5219 3.7839 3.7962 3.8063 3.8091 4.1201 4.1235 4.3031 4.3151 4.3601 4.3605 4.3714 4.4057 4.4493 4.4568 4.5053 4.5127 4.5739 4.6077 4.7209 4.7640 4.7757 4.8111 4.9122 4.9526 5.1888 5.2623 5.3034 5.3070 5.3619 5.3826 5.4369 5.4478 5.6327 5.6524 6.3448 6.3826 6.4477 6.4838 7.9315 7.9469 8.4311 8.4326 8.5888 8.6854 8.7380 8.7495 8.8531 8.9005 11.0664 11.0934 11.1687 11.2433 k = 0.0926 0.5000-0.0000 ( 7862 PWs) bands (ev): -48.1030 -48.1030 -25.7028 -25.7028 -23.6134 -23.6134 -23.6127 -23.6127 -4.6107 -4.6106 -4.3992 -4.3968 -3.8007 -3.7978 -3.7875 -3.7868 1.9566 1.9866 2.4770 2.4837 2.6572 2.6669 2.9083 2.9453 3.1743 3.2051 3.2343 3.2566 3.4162 3.4200 3.5118 3.5215 3.7765 3.7936 3.8041 3.8093 4.1187 4.1230 4.2801 4.2936 4.3598 4.3601 4.3679 4.4033 4.4457 4.4536 4.5059 4.5238 4.5704 4.6038 4.7192 4.7678 4.7759 4.8270 4.9318 4.9794 5.1836 5.2499 5.3020 5.3033 5.3696 5.3751 5.4351 5.4518 5.6479 5.6706 6.3278 6.3747 6.4329 6.4758 7.9461 7.9656 8.4462 8.4478 8.5748 8.6776 8.7289 8.7328 8.8642 8.9239 11.1070 11.1391 11.1860 11.2777 k = 0.1111 0.5000-0.0000 ( 7850 PWs) bands (ev): -48.1030 -48.1030 -25.7028 -25.7028 -23.6134 -23.6134 -23.6127 -23.6127 -4.6033 -4.6031 -4.3942 -4.3913 -3.8081 -3.8049 -3.7942 -3.7931 1.9617 1.9975 2.4734 2.4817 2.6519 2.6641 2.9043 2.9483 3.1687 3.2007 3.2405 3.2623 3.4158 3.4204 3.5097 3.5208 3.7682 3.7909 3.8008 3.8093 4.1170 4.1221 4.2547 4.2708 4.3582 4.3596 4.3656 4.4004 4.4426 4.4529 4.5068 4.5343 4.5678 4.5982 4.7173 4.7729 4.7745 4.8411 4.9552 5.0085 5.1760 5.2343 5.2867 5.3000 5.3673 5.3848 5.4387 5.4621 5.6636 5.6897 6.3090 6.3645 6.4179 6.4659 7.9638 7.9877 8.4603 8.4678 8.5615 8.6681 8.7072 8.7260 8.8800 8.9478 11.1555 11.1878 11.2124 11.3161 k = 0.1296 0.5000-0.0000 ( 7860 PWs) bands (ev): -48.1030 -48.1030 -25.7028 -25.7028 -23.6135 -23.6135 -23.6128 -23.6128 -4.5945 -4.5944 -4.3882 -4.3848 -3.8167 -3.8135 -3.8020 -3.8003 1.9682 2.0095 2.4691 2.4792 2.6455 2.6606 2.9008 2.9515 3.1634 3.1965 3.2470 3.2683 3.4155 3.4210 3.5077 3.5197 3.7588 3.7880 3.7964 3.8090 4.1148 4.1205 4.2283 4.2475 4.3541 4.3594 4.3648 4.3972 4.4401 4.4539 4.5080 4.5443 4.5660 4.5919 4.7137 4.7717 4.7795 4.8529 4.9814 5.0387 5.1653 5.2163 5.2669 5.2956 5.3592 5.3931 5.4498 5.4817 5.6793 5.7097 6.2888 6.3524 6.4033 6.4550 7.9846 8.0129 8.4731 8.4901 8.5483 8.6572 8.6874 8.7211 8.8987 8.9717 11.2107 11.2228 11.2628 11.3576 k = 0.1481 0.5000-0.0000 ( 7860 PWs) bands (ev): -48.1030 -48.1030 -25.7029 -25.7029 -23.6135 -23.6135 -23.6128 -23.6128 -4.5845 -4.5843 -4.3814 -4.3775 -3.8267 -3.8235 -3.8108 -3.8084 1.9760 2.0225 2.4642 2.4762 2.6381 2.6562 2.8983 2.9551 3.1584 3.1928 3.2539 3.2748 3.4153 3.4219 3.5056 3.5182 3.7487 3.7850 3.7912 3.8085 4.1121 4.1181 4.2018 4.2245 4.3489 4.3595 4.3649 4.3939 4.4385 4.4565 4.5098 4.5537 4.5651 4.5856 4.7080 4.7676 4.7877 4.8623 5.0093 5.0696 5.1522 5.1964 5.2472 5.2878 5.3507 5.3930 5.4678 5.5073 5.6953 5.7311 6.2677 6.3386 6.3905 6.4442 8.0082 8.0409 8.4818 8.5093 8.5384 8.6463 8.6722 8.7213 8.9188 8.9951 11.2512 11.2712 11.3282 11.4011 k = 0.1667 0.5000-0.0000 ( 7852 PWs) bands (ev): -48.1030 -48.1030 -25.7029 -25.7029 -23.6135 -23.6135 -23.6128 -23.6128 -4.5733 -4.5731 -4.3736 -4.3693 -3.8379 -3.8348 -3.8205 -3.8174 1.9850 2.0364 2.4586 2.4727 2.6295 2.6510 2.8969 2.9592 3.1537 3.1899 3.2611 3.2816 3.4154 3.4229 3.5037 3.5164 3.7376 3.7815 3.7853 3.8078 4.1087 4.1147 4.1758 4.2022 4.3431 4.3598 4.3655 4.3905 4.4375 4.4601 4.5121 4.5626 4.5650 4.5799 4.7000 4.7624 4.7972 4.8693 5.0373 5.1003 5.1377 5.1757 5.2283 5.2766 5.3418 5.3877 5.4897 5.5325 5.7125 5.7551 6.2462 6.3230 6.3803 6.4346 8.0344 8.0715 8.4831 8.5014 8.5538 8.6389 8.6638 8.7276 8.9394 9.0178 11.2795 11.3352 11.3997 11.4452 k = 0.1852 0.5000-0.0000 ( 7854 PWs) bands (ev): -48.1030 -48.1030 -25.7029 -25.7029 -23.6135 -23.6135 -23.6128 -23.6128 -4.5609 -4.5606 -4.3650 -4.3602 -3.8504 -3.8475 -3.8311 -3.8273 1.9951 2.0511 2.4524 2.4688 2.6196 2.6450 2.8970 2.9639 3.1495 3.1879 3.2686 3.2889 3.4158 3.4243 3.5018 3.5143 3.7258 3.7760 3.7807 3.8070 4.1044 4.1097 4.1508 4.1813 4.3372 4.3603 4.3665 4.3872 4.4371 4.4643 4.5149 4.5656 4.5703 4.5755 4.6900 4.7562 4.8076 4.8738 5.0631 5.1230 5.1304 5.1564 5.2105 5.2631 5.3327 5.3795 5.5112 5.5527 5.7322 5.7821 6.2247 6.3058 6.3740 6.4276 8.0631 8.1043 8.4747 8.4780 8.5830 8.6385 8.6628 8.7398 8.9600 9.0394 11.3072 11.4003 11.4746 11.4882 k = 0.2037 0.5000-0.0000 ( 7864 PWs) bands (ev): -48.1030 -48.1030 -25.7029 -25.7029 -23.6135 -23.6135 -23.6129 -23.6129 -4.5473 -4.5470 -4.3555 -4.3503 -3.8642 -3.8614 -3.8424 -3.8380 2.0061 2.0663 2.4455 2.4644 2.6086 2.6380 2.8989 2.9692 3.1459 3.1872 3.2765 3.2965 3.4165 3.4259 3.5001 3.5118 3.7132 3.7680 3.7776 3.8060 4.0990 4.1025 4.1273 4.1624 4.3313 4.3609 4.3678 4.3842 4.4369 4.4686 4.5182 4.5668 4.5701 4.5795 4.6784 4.7492 4.8186 4.8760 5.0801 5.1092 5.1446 5.1590 5.1942 5.2483 5.3234 5.3694 5.5282 5.5654 5.7560 5.8122 6.2036 6.2871 6.3727 6.4241 8.0939 8.1389 8.4501 8.4572 8.6154 8.6456 8.6683 8.7569 8.9800 9.0599 11.3328 11.4630 11.5279 11.5504 k = 0.2222 0.5000-0.0000 ( 7868 PWs) bands (ev): -48.1030 -48.1030 -25.7029 -25.7029 -23.6135 -23.6135 -23.6129 -23.6129 -4.5326 -4.5323 -4.3453 -4.3396 -3.8791 -3.8765 -3.8546 -3.8495 2.0182 2.0819 2.4382 2.4595 2.5964 2.6300 2.9027 2.9752 3.1430 3.1880 3.2846 3.3046 3.4175 3.4280 3.4985 3.5090 3.6999 3.7587 3.7750 3.8048 4.0916 4.0925 4.1064 4.1461 4.3256 4.3615 4.3694 4.3817 4.4368 4.4727 4.5219 4.5675 4.5685 4.5867 4.6654 4.7414 4.8300 4.8758 5.0779 5.0970 5.1483 5.1819 5.1847 5.2340 5.3142 5.3582 5.5378 5.5702 5.7843 5.8443 6.1834 6.2674 6.3770 6.4249 8.1267 8.1747 8.4206 8.4340 8.6496 8.6583 8.6791 8.7780 8.9994 9.0792 11.3545 11.5179 11.5615 11.6229 k = 0.2407 0.5000-0.0000 ( 7876 PWs) bands (ev): -48.1031 -48.1031 -25.7029 -25.7029 -23.6135 -23.6135 -23.6129 -23.6129 -4.5169 -4.5165 -4.3342 -4.3282 -3.8951 -3.8927 -3.8675 -3.8617 2.0311 2.0977 2.4303 2.4541 2.5831 2.6212 2.9088 2.9818 3.1408 3.1907 3.2930 3.3129 3.4189 3.4304 3.4971 3.5058 3.6859 3.7485 3.7726 3.8036 4.0782 4.0795 4.0917 4.1327 4.3203 4.3619 4.3713 4.3800 4.4368 4.4761 4.5262 4.5661 4.5706 4.5935 4.6515 4.7331 4.8414 4.8732 5.0625 5.0871 5.1489 5.1862 5.1995 5.2278 5.3059 5.3465 5.5394 5.5675 5.8163 5.8763 6.1646 6.2470 6.3876 6.4305 8.1611 8.2112 8.3908 8.4081 8.6750 8.6843 8.6945 8.8020 9.0181 9.0971 11.3700 11.5575 11.5859 11.6851 k = 0.2593 0.5000-0.0000 ( 7882 PWs) bands (ev): -48.1031 -48.1031 -25.7030 -25.7030 -23.6136 -23.6136 -23.6129 -23.6129 -4.5001 -4.4998 -4.3225 -4.3161 -3.9123 -3.9100 -3.8810 -3.8747 2.0447 2.1137 2.4219 2.4483 2.5689 2.6115 2.9170 2.9889 3.1394 3.1955 3.3015 3.3217 3.4206 3.4331 3.4959 3.5021 3.6712 3.7373 3.7706 3.8024 4.0603 4.0641 4.0821 4.1214 4.3154 4.3620 4.3736 4.3791 4.4367 4.4784 4.5309 4.5662 4.5729 4.5998 4.6372 4.7243 4.8524 4.8683 5.0441 5.0799 5.1373 5.1915 5.2061 5.2409 5.2994 5.3348 5.5335 5.5585 5.8501 5.9064 6.1477 6.2266 6.4046 6.4410 8.1967 8.2473 8.3620 8.3823 8.6944 8.7105 8.7225 8.8278 9.0358 9.1136 11.3774 11.5735 11.5981 11.7247 k = 0.2778 0.5000-0.0000 ( 7874 PWs) bands (ev): -48.1031 -48.1031 -25.7030 -25.7030 -23.6136 -23.6136 -23.6129 -23.6129 -4.4824 -4.4820 -4.3101 -4.3033 -3.9303 -3.9282 -3.8951 -3.8883 2.0591 2.1295 2.4132 2.4420 2.5541 2.6009 2.9276 2.9963 3.1390 3.2028 3.3102 3.3307 3.4226 3.4361 3.4950 3.4981 3.6558 3.7251 3.7688 3.8010 4.0427 4.0475 4.0727 4.1110 4.3111 4.3615 4.3762 4.3794 4.4365 4.4791 4.5361 4.5677 4.5754 4.6053 4.6233 4.7155 4.8614 4.8624 5.0267 5.0751 5.1236 5.1772 5.2283 5.2543 5.2981 5.3236 5.5214 5.5443 5.8836 5.9330 6.1331 6.2068 6.4274 6.4564 8.2331 8.2802 8.3348 8.3601 8.7164 8.7314 8.7586 8.8544 9.0526 9.1285 11.3754 11.5648 11.5936 11.7295 k = 0.2963 0.5000-0.0000 ( 7870 PWs) bands (ev): -48.1030 -48.1030 -25.7030 -25.7030 -23.6136 -23.6136 -23.6130 -23.6130 -4.4639 -4.4635 -4.2971 -4.2900 -3.9493 -3.9472 -3.9098 -3.9026 2.0741 2.1452 2.4043 2.4351 2.5389 2.5897 2.9402 3.0039 3.1396 3.2127 3.3188 3.3399 3.4248 3.4392 3.4937 3.4945 3.6399 3.7120 3.7674 3.7996 4.0262 4.0305 4.0626 4.1007 4.3073 4.3603 4.3791 4.3808 4.4362 4.4779 4.5416 4.5704 4.5777 4.6065 4.6141 4.7067 4.8529 4.8703 5.0122 5.0724 5.1103 5.1631 5.2486 5.2582 5.3057 5.3139 5.5043 5.5261 5.9150 5.9551 6.1214 6.1881 6.4552 6.4761 8.2697 8.2985 8.3097 8.3532 8.7405 8.7537 8.7950 8.8809 9.0685 9.1418 11.3639 11.5372 11.5702 11.6985 k = 0.3148 0.5000-0.0000 ( 7870 PWs) bands (ev): -48.1030 -48.1030 -25.7030 -25.7030 -23.6136 -23.6136 -23.6130 -23.6130 -4.4445 -4.4441 -4.2835 -4.2761 -3.9690 -3.9671 -3.9249 -3.9174 2.0897 2.1605 2.3951 2.4276 2.5237 2.5779 2.9548 3.0114 3.1413 3.2255 3.3272 3.3493 3.4270 3.4424 3.4889 3.4943 3.6235 3.6977 3.7663 3.7981 4.0113 4.0137 4.0514 4.0899 4.3042 4.3586 4.3822 4.3830 4.4356 4.4748 4.5472 4.5729 4.5799 4.5979 4.6168 4.6984 4.8434 4.8746 5.0023 5.0707 5.0981 5.1510 5.2552 5.2639 5.3081 5.3190 5.4833 5.5049 5.9431 5.9722 6.1130 6.1710 6.4866 6.4996 8.2872 8.2899 8.3061 8.3737 8.7667 8.7775 8.8311 8.9065 9.0833 9.1533 11.3442 11.4972 11.5313 11.6433 k = 0.3333 0.5000-0.0000 ( 7860 PWs) bands (ev): -48.1030 -48.1030 -25.7030 -25.7030 -23.6137 -23.6137 -23.6130 -23.6130 -4.4245 -4.4240 -4.2694 -4.2617 -3.9895 -3.9876 -3.9404 -3.9326 2.1058 2.1755 2.3859 2.4193 2.5090 2.5656 2.9707 3.0186 3.1446 3.2410 3.3354 3.3587 3.4291 3.4451 3.4839 3.4945 3.6067 3.6824 3.7656 3.7966 3.9976 3.9979 4.0394 4.0785 4.3018 4.3564 4.3854 4.3859 4.4349 4.4700 4.5528 4.5723 4.5818 4.5934 4.6207 4.6906 4.8336 4.8742 4.9983 5.0686 5.0876 5.1424 5.2501 5.2694 5.3107 5.3330 5.4593 5.4815 5.9670 5.9844 6.1081 6.1560 6.5200 6.5258 8.2675 8.2730 8.3414 8.4030 8.7951 8.8023 8.8663 8.9305 9.0970 9.1628 11.3185 11.4503 11.4827 11.5765 k = 0.3519 0.5000-0.0000 ( 7872 PWs) bands (ev): -48.1030 -48.1030 -25.7030 -25.7030 -23.6137 -23.6137 -23.6130 -23.6130 -4.4038 -4.4034 -4.2549 -4.2470 -4.0105 -4.0088 -3.9562 -3.9481 2.1224 2.1899 2.3766 2.4097 2.4954 2.5530 2.9874 3.0255 3.1497 3.2593 3.3430 3.3682 3.4309 3.4468 3.4790 3.4952 3.5898 3.6658 3.7652 3.7950 3.9824 3.9861 4.0267 4.0663 4.3002 4.3536 4.3888 4.3892 4.4340 4.4637 4.5580 4.5671 4.5836 4.5959 4.6241 4.6837 4.8238 4.8688 4.9998 5.0646 5.0797 5.1388 5.2446 5.2661 5.3206 5.3458 5.4331 5.4567 5.9862 5.9922 6.1064 6.1435 6.5536 6.5537 8.2508 8.2563 8.3750 8.4317 8.8252 8.8277 8.9002 8.9522 9.1095 9.1702 11.2894 11.4002 11.4302 11.5062 k = 0.3704 0.5000-0.0000 ( 7872 PWs) bands (ev): -48.1030 -48.1030 -25.7030 -25.7030 -23.6137 -23.6137 -23.6130 -23.6130 -4.3827 -4.3822 -4.2401 -4.2320 -4.0320 -4.0303 -3.9721 -3.9639 2.1394 2.2039 2.3674 2.3987 2.4837 2.5404 3.0040 3.0319 3.1572 3.2801 3.3498 3.3777 3.4323 3.4464 3.4752 3.4964 3.5732 3.6479 3.7653 3.7933 3.9684 3.9760 4.0137 4.0536 4.2994 4.3504 4.3922 4.3928 4.4329 4.4565 4.5612 4.5621 4.5856 4.6014 4.6270 4.6778 4.8148 4.8599 5.0043 5.0581 5.0759 5.1406 5.2397 5.2598 5.3317 5.3567 5.4055 5.4316 5.9968 6.0005 6.1072 6.1339 6.5818 6.5864 8.2369 8.2418 8.4065 8.4578 8.8533 8.8569 8.9324 8.9711 9.1207 9.1752 11.2591 11.3497 11.3780 11.4371 k = 0.3889 0.5000-0.0000 ( 7868 PWs) bands (ev): -48.1030 -48.1030 -25.7030 -25.7030 -23.6137 -23.6137 -23.6130 -23.6130 -4.3613 -4.3608 -4.2251 -4.2170 -4.0538 -4.0521 -3.9879 -3.9798 2.1568 2.2172 2.3582 2.3860 2.4743 2.5280 3.0193 3.0378 3.1678 3.3028 3.3553 3.3869 3.4332 3.4429 3.4731 3.4981 3.5574 3.6285 3.7658 3.7914 3.9560 3.9673 4.0010 4.0406 4.2995 4.3465 4.3957 4.3966 4.4316 4.4490 4.5565 4.5646 4.5884 4.6076 4.6294 4.6729 4.8067 4.8491 5.0086 5.0500 5.0780 5.1471 5.2354 5.2531 5.3408 5.3645 5.3781 5.4074 5.9992 6.0101 6.1097 6.1274 6.6092 6.6167 8.2258 8.2299 8.4351 8.4804 8.8786 8.8894 8.9625 8.9867 9.1303 9.1777 11.2298 11.3010 11.3288 11.3722 k = 0.4074 0.5000-0.0000 ( 7864 PWs) bands (ev): -48.1030 -48.1030 -25.7030 -25.7030 -23.6137 -23.6137 -23.6130 -23.6130 -4.3398 -4.3393 -4.2103 -4.2021 -4.0755 -4.0739 -4.0035 -3.9956 2.1744 2.2297 2.3492 2.3717 2.4676 2.5159 3.0325 3.0431 3.1819 3.3266 3.3590 3.3959 3.4337 3.4370 3.4723 3.5000 3.5432 3.6076 3.7668 3.7894 3.9453 3.9596 3.9894 4.0278 4.3004 4.3422 4.3991 4.4004 4.4301 4.4418 4.5532 4.5650 4.5923 4.6135 4.6317 4.6689 4.8001 4.8377 5.0105 5.0413 5.0870 5.1570 5.2320 5.2469 5.3442 5.3461 5.3747 5.3875 6.0007 6.0153 6.1129 6.1238 6.6347 6.6435 8.2173 8.2204 8.4605 8.4990 8.9031 8.9219 8.9898 8.9988 9.1381 9.1775 11.2033 11.2565 11.2842 11.3136 k = 0.4259 0.5000-0.0000 ( 7864 PWs) bands (ev): -48.1030 -48.1030 -25.7030 -25.7030 -23.6138 -23.6138 -23.6130 -23.6130 -4.3185 -4.3180 -4.1958 -4.1878 -4.0969 -4.0952 -4.0185 -4.0109 2.1922 2.2413 2.3403 2.3563 2.4635 2.5045 3.0428 3.0477 3.1997 3.3461 3.3640 3.4043 3.4309 3.4340 3.4716 3.5021 3.5312 3.5852 3.7681 3.7872 3.9367 3.9525 3.9802 4.0154 4.3021 4.3373 4.4024 4.4043 4.4284 4.4352 4.5512 4.5638 4.5971 4.6180 4.6342 4.6654 4.7951 4.8267 5.0103 5.0330 5.1019 5.1694 5.2295 5.2415 5.3174 5.3352 5.3788 5.3798 6.0019 6.0171 6.1161 6.1225 6.6572 6.6660 8.2111 8.2133 8.4823 8.5135 8.9261 8.9531 9.0074 9.0136 9.1439 9.1747 11.1810 11.2183 11.2450 11.2628 k = 0.4444 0.5000-0.0000 ( 7856 PWs) bands (ev): -48.1030 -48.1030 -25.7030 -25.7030 -23.6138 -23.6138 -23.6130 -23.6130 -4.2982 -4.2977 -4.1823 -4.1748 -4.1172 -4.1155 -4.0321 -4.0253 2.2100 2.2515 2.3318 2.3407 2.4618 2.4939 3.0501 3.0516 3.2206 3.3455 3.3828 3.4114 3.4277 3.4346 3.4700 3.5042 3.5221 3.5613 3.7699 3.7848 3.9305 3.9452 3.9746 4.0039 4.3047 4.3321 4.4056 4.4080 4.4265 4.4295 4.5504 4.5616 4.6022 4.6202 4.6378 4.6622 4.7920 4.8166 5.0094 5.0255 5.1211 5.1831 5.2283 5.2369 5.2891 5.3158 5.3796 5.3837 6.0032 6.0166 6.1190 6.1225 6.6759 6.6836 8.2067 8.2083 8.5002 8.5239 8.9471 8.9807 9.0136 9.0331 9.1478 9.1697 11.1641 11.1881 11.2118 11.2210 k = 0.4630 0.5000-0.0000 ( 7848 PWs) bands (ev): -48.1029 -48.1029 -25.7031 -25.7030 -23.6138 -23.6138 -23.6130 -23.6130 -4.2798 -4.2794 -4.1708 -4.1645 -4.1350 -4.1332 -4.0434 -4.0380 2.2273 2.2590 2.3237 2.3263 2.4625 2.4845 3.0547 3.0547 3.2439 3.3329 3.4025 3.4161 3.4315 3.4367 3.4676 3.5061 3.5160 3.5363 3.7720 3.7822 3.9269 3.9380 3.9728 3.9937 4.3081 4.3268 4.4087 4.4114 4.4244 4.4248 4.5507 4.5589 4.6072 4.6202 4.6423 4.6590 4.7910 4.8078 5.0088 5.0193 5.1428 5.1957 5.2291 5.2334 5.2629 5.2939 5.3825 5.3860 6.0049 6.0146 6.1212 6.1230 6.6903 6.6959 8.2040 8.2049 8.5143 8.5301 8.9656 8.9977 9.0227 9.0468 9.1500 9.1634 11.1536 11.1671 11.1854 11.1889 k = 0.4815 0.5000-0.0000 ( 7844 PWs) bands (ev): -48.1029 -48.1029 -25.7031 -25.7031 -23.6138 -23.6138 -23.6130 -23.6130 -4.2659 -4.2656 -4.1639 -4.1602 -4.1458 -4.1448 -4.0508 -4.0476 2.2433 2.2615 2.3161 2.3169 2.4653 2.4764 3.0567 3.0570 3.2681 3.3143 3.4124 3.4174 3.4408 3.4427 3.4692 3.5072 3.5113 3.5123 3.7743 3.7796 3.9260 3.9319 3.9743 3.9852 4.3120 4.3216 4.4118 4.4141 4.4213 4.4222 4.5519 4.5562 4.6117 4.6185 4.6470 4.6554 4.7922 4.8007 5.0093 5.0144 5.1657 5.2000 5.2312 5.2333 5.2451 5.2726 5.3851 5.3870 6.0070 6.0121 6.1227 6.1235 6.6997 6.7027 8.2025 8.2030 8.5243 8.5322 8.9808 8.9990 9.0380 9.0529 9.1513 9.1575 11.1501 11.1563 11.1663 11.1674 k = 0.5000 0.5000-0.0000 ( 7836 PWs) bands (ev): -48.1029 -48.1029 -25.7030 -25.7030 -23.6138 -23.6138 -23.6130 -23.6130 -4.2603 -4.2603 -4.1623 -4.1623 -4.1475 -4.1475 -4.0524 -4.0524 2.2559 2.2559 2.3133 2.3133 2.4700 2.4700 3.0576 3.0576 3.2921 3.2921 3.4161 3.4161 3.4450 3.4450 3.4858 3.4858 3.5100 3.5100 3.7769 3.7769 3.9277 3.9277 3.9786 3.9786 4.3166 4.3166 4.4142 4.4142 4.4204 4.4204 4.5538 4.5538 4.6156 4.6156 4.6515 4.6515 4.7954 4.7954 5.0111 5.0111 5.1874 5.1874 5.2313 5.2313 5.2536 5.2536 5.3866 5.3866 6.0095 6.0095 6.1235 6.1235 6.7039 6.7039 8.2022 8.2022 8.5303 8.5303 8.9922 8.9922 9.0497 9.0497 9.1534 9.1534 11.1535 11.1535 11.1573 11.1573 k = 0.5000 0.5000-0.0000 ( 7836 PWs) bands (ev): -48.1029 -48.1029 -25.7030 -25.7030 -23.6138 -23.6138 -23.6130 -23.6130 -4.2603 -4.2603 -4.1623 -4.1623 -4.1475 -4.1475 -4.0524 -4.0524 2.2559 2.2559 2.3133 2.3133 2.4700 2.4700 3.0576 3.0576 3.2921 3.2921 3.4161 3.4161 3.4450 3.4450 3.4858 3.4858 3.5100 3.5100 3.7769 3.7769 3.9277 3.9277 3.9786 3.9786 4.3166 4.3166 4.4142 4.4142 4.4204 4.4204 4.5538 4.5538 4.6156 4.6156 4.6515 4.6515 4.7954 4.7954 5.0111 5.0111 5.1874 5.1874 5.2313 5.2313 5.2536 5.2536 5.3866 5.3866 6.0095 6.0095 6.1235 6.1235 6.7039 6.7039 8.2022 8.2022 8.5303 8.5303 8.9922 8.9922 9.0497 9.0497 9.1534 9.1534 11.1535 11.1535 11.1573 11.1573 k = 0.4868 0.4868-0.0000 ( 7844 PWs) bands (ev): -48.1029 -48.1029 -25.7031 -25.7031 -23.6138 -23.6138 -23.6130 -23.6130 -4.2660 -4.2658 -4.1624 -4.1595 -4.1466 -4.1462 -4.0508 -4.0475 2.2433 2.2616 2.3147 2.3182 2.4652 2.4766 3.0567 3.0571 3.2678 3.3147 3.4131 3.4162 3.4386 3.4459 3.4687 3.5083 3.5084 3.5141 3.7743 3.7796 3.9260 3.9319 3.9742 3.9853 4.3120 4.3216 4.4115 4.4146 4.4204 4.4227 4.5518 4.5562 4.6117 4.6185 4.6470 4.6555 4.7921 4.8007 5.0093 5.0145 5.1658 5.1993 5.2324 5.2344 5.2429 5.2730 5.3851 5.3870 6.0070 6.0122 6.1227 6.1235 6.6997 6.7027 8.2025 8.2030 8.5243 8.5322 8.9806 8.9990 9.0380 9.0527 9.1518 9.1571 11.1530 11.1532 11.1599 11.1742 k = 0.4737 0.4737-0.0000 ( 7850 PWs) bands (ev): -48.1029 -48.1029 -25.7031 -25.7031 -23.6138 -23.6138 -23.6130 -23.6130 -4.2812 -4.2812 -4.1598 -4.1555 -4.1439 -4.1425 -4.0429 -4.0371 2.2277 2.2593 2.3183 2.3304 2.4623 2.4855 3.0544 3.0548 3.2419 3.3354 3.4029 3.4100 3.4321 3.4451 3.4652 3.5069 3.5128 3.5375 3.7718 3.7824 3.9270 3.9379 3.9722 3.9943 4.3078 4.3271 4.4079 4.4135 4.4214 4.4265 4.5504 4.5593 4.6071 4.6204 4.6420 4.6591 4.7909 4.8079 5.0086 5.0196 5.1432 5.1939 5.2282 5.2382 5.2587 5.2958 5.3826 5.3860 6.0047 6.0150 6.1213 6.1228 6.6902 6.6960 8.2040 8.2048 8.5143 8.5300 8.9647 8.9971 9.0238 9.0459 9.1534 9.1611 11.1508 11.1577 11.1756 11.2113 k = 0.4605 0.4605-0.0000 ( 7862 PWs) bands (ev): -48.1030 -48.1030 -25.7031 -25.7031 -23.6138 -23.6138 -23.6130 -23.6130 -4.3032 -4.3027 -4.1558 -4.1514 -4.1398 -4.1373 -4.0302 -4.0226 2.2113 2.2525 2.3208 2.3452 2.4622 2.4974 3.0504 3.0508 3.2150 3.3542 3.3773 3.4076 3.4323 3.4436 3.4681 3.5062 3.5150 3.5622 3.7694 3.7854 3.9305 3.9451 3.9728 4.0054 4.3041 4.3327 4.4042 4.4122 4.4225 4.4305 4.5493 4.5627 4.6023 4.6212 4.6367 4.6623 4.7916 4.8169 5.0085 5.0268 5.1215 5.1832 5.2229 5.2419 5.2851 5.3195 5.3801 5.3838 6.0026 6.0177 6.1190 6.1214 6.6760 6.6842 8.2065 8.2077 8.5006 8.5238 8.9442 8.9781 9.0175 9.0313 9.1574 9.1642 11.1480 11.1598 11.2109 11.2658 k = 0.4474 0.4474-0.0000 ( 7866 PWs) bands (ev): -48.1030 -48.1030 -25.7030 -25.7030 -23.6138 -23.6138 -23.6130 -23.6130 -4.3293 -4.3285 -4.1510 -4.1468 -4.1347 -4.1314 -4.0142 -4.0055 2.1951 2.2436 2.3208 2.3575 2.4673 2.5128 3.0435 3.0454 3.1880 3.3498 3.3713 3.4063 3.4334 3.4417 3.4733 3.5068 3.5175 3.5855 3.7672 3.7887 3.9356 3.9528 3.9764 4.0184 4.3008 4.3385 4.4008 4.4111 4.4234 4.4345 4.5486 4.5665 4.5976 4.6209 4.6311 4.6652 4.7942 4.8271 5.0087 5.0360 5.1015 5.1740 5.2182 5.2454 5.3139 5.3401 5.3803 5.3810 6.0007 6.0202 6.1159 6.1192 6.6578 6.6679 8.2101 8.2117 8.4834 8.5137 8.9192 8.9480 9.0117 9.0147 9.1622 9.1660 11.1449 11.1612 11.2615 11.3356 k = 0.4342 0.4342-0.0000 ( 7854 PWs) bands (ev): -48.1030 -48.1030 -25.7030 -25.7030 -23.6137 -23.6137 -23.6130 -23.6130 -4.3582 -4.3570 -4.1454 -4.1415 -4.1287 -4.1250 -3.9964 -3.9872 2.1792 2.2337 2.3176 2.3634 2.4800 2.5320 3.0334 3.0374 3.1625 3.3242 3.3863 3.4066 3.4341 3.4395 3.4790 3.5101 3.5203 3.6071 3.7653 3.7923 3.9413 3.9607 3.9835 4.0325 4.2978 4.3439 4.3976 4.4106 4.4241 4.4383 4.5483 4.5697 4.5943 4.6196 4.6253 4.6681 4.7985 4.8381 5.0084 5.0470 5.0839 5.1685 5.2137 5.2489 5.3434 5.3483 5.3758 5.3941 5.9991 6.0221 6.1119 6.1159 6.6368 6.6480 8.2150 8.2167 8.4633 8.5000 8.8898 8.9130 8.9895 9.0104 9.1668 9.1668 11.1413 11.1622 11.3244 11.4182 k = 0.4211 0.4211-0.0000 ( 7858 PWs) bands (ev): -48.1030 -48.1030 -25.7030 -25.7030 -23.6137 -23.6137 -23.6130 -23.6130 -4.3888 -4.3875 -4.1390 -4.1353 -4.1219 -4.1179 -3.9780 -3.9685 2.1635 2.2229 2.3110 2.3616 2.5008 2.5549 3.0195 3.0251 3.1411 3.3019 3.3998 3.4084 3.4343 3.4369 3.4830 3.5178 3.5236 3.6271 3.7637 3.7962 3.9466 3.9686 3.9941 4.0472 4.2951 4.3485 4.3946 4.4109 4.4247 4.4418 4.5481 4.5707 4.5938 4.6174 4.6194 4.6710 4.8042 4.8493 5.0070 5.0556 5.0733 5.1677 5.2095 5.2523 5.3450 5.3664 5.3769 5.4180 5.9978 6.0229 6.1071 6.1114 6.6143 6.6256 8.2210 8.2227 8.4408 8.4829 8.8566 8.8751 8.9663 9.0039 9.1667 9.1708 11.1369 11.1627 11.3954 11.5104 k = 0.4079 0.4079-0.0000 ( 7858 PWs) bands (ev): -48.1030 -48.1030 -25.7030 -25.7030 -23.6137 -23.6137 -23.6130 -23.6130 -4.4207 -4.4192 -4.1317 -4.1281 -4.1143 -4.1102 -3.9596 -3.9499 2.1479 2.2113 2.3011 2.3533 2.5280 2.5812 3.0014 3.0068 3.1264 3.2843 3.4118 3.4119 3.4340 3.4341 3.4850 3.5273 3.5299 3.6456 3.7626 3.8007 3.9513 3.9764 4.0077 4.0618 4.2926 4.3517 4.3918 4.4125 4.4251 4.4450 4.5482 4.5687 4.5973 4.6136 4.6145 4.6740 4.8112 4.8602 5.0045 5.0480 5.0836 5.1720 5.2053 5.2556 5.3374 5.3618 5.4043 5.4451 5.9969 6.0218 6.1019 6.1051 6.5916 6.6021 8.2283 8.2297 8.4167 8.4632 8.8205 8.8355 8.9428 8.9950 9.1658 9.1737 11.1316 11.1625 11.4696 11.6076 k = 0.3947 0.3947-0.0000 ( 7862 PWs) bands (ev): -48.1030 -48.1030 -25.7030 -25.7030 -23.6137 -23.6137 -23.6130 -23.6130 -4.4534 -4.4519 -4.1235 -4.1199 -4.1059 -4.1018 -3.9417 -3.9319 2.1321 2.1986 2.2882 2.3401 2.5595 2.6103 2.9791 2.9823 3.1197 3.2720 3.4167 3.4223 3.4313 3.4341 3.4859 3.5315 3.5454 3.6629 3.7621 3.8057 3.9557 3.9841 4.0233 4.0759 4.2904 4.3530 4.3890 4.4155 4.4255 4.4480 4.5483 4.5649 4.6023 4.6095 4.6109 4.6775 4.8192 4.8700 5.0010 5.0369 5.1025 5.1812 5.2013 5.2589 5.3281 5.3542 5.4325 5.4725 5.9970 6.0177 6.0965 6.0969 6.5702 6.5788 8.2369 8.2373 8.3918 8.4413 8.7824 8.7952 8.9193 8.9839 9.1640 9.1753 11.1250 11.1615 11.5402 11.7038 k = 0.3816 0.3816-0.0000 ( 7868 PWs) bands (ev): -48.1030 -48.1030 -25.7030 -25.7030 -23.6136 -23.6136 -23.6130 -23.6130 -4.4867 -4.4852 -4.1144 -4.1108 -4.0967 -4.0925 -3.9246 -3.9147 2.1159 2.1846 2.2724 2.3232 2.5939 2.6420 2.9528 2.9532 3.1203 3.2654 3.4227 3.4277 3.4287 3.4386 3.4864 3.5362 3.5630 3.6790 3.7623 3.8113 3.9600 3.9916 4.0400 4.0893 4.2884 4.3523 4.3863 4.4194 4.4258 4.4510 4.5485 4.5606 4.6003 4.6069 4.6142 4.6816 4.8279 4.8783 4.9968 5.0277 5.1246 5.1942 5.1983 5.2621 5.3176 5.3458 5.4592 5.4990 5.9982 6.0091 6.0853 6.0935 6.5514 6.5571 8.2451 8.2467 8.3674 8.4179 8.7433 8.7547 8.8961 8.9707 9.1612 9.1754 11.1166 11.1591 11.5977 11.7605 k = 0.3684 0.3684-0.0000 ( 7866 PWs) bands (ev): -48.1030 -48.1030 -25.7030 -25.7030 -23.6136 -23.6136 -23.6130 -23.6130 -4.5203 -4.5188 -4.1045 -4.1009 -4.0866 -4.0825 -3.9084 -3.8985 2.0991 2.1691 2.2541 2.3032 2.6301 2.6757 2.9216 2.9235 3.1270 3.2640 3.4244 3.4275 3.4318 3.4483 3.4871 3.5414 3.5819 3.6938 3.7637 3.8177 3.9642 3.9987 4.0571 4.1017 4.2866 4.3498 4.3834 4.4236 4.4262 4.4542 4.5486 4.5563 4.5953 4.6025 4.6237 4.6864 4.8370 4.8848 4.9927 5.0211 5.1491 5.1935 5.2129 5.2652 5.3067 5.3367 5.4836 5.5239 5.9947 6.0004 6.0717 6.0932 6.5363 6.5382 8.2518 8.2578 8.3455 8.3937 8.7039 8.7145 8.8731 8.9558 9.1570 9.1736 11.1058 11.1551 11.6292 11.7129 k = 0.3553 0.3553-0.0000 ( 7876 PWs) bands (ev): -48.1031 -48.1031 -25.7030 -25.7030 -23.6136 -23.6136 -23.6130 -23.6130 -4.5540 -4.5526 -4.0937 -4.0901 -4.0758 -4.0717 -3.8933 -3.8834 2.0813 2.1518 2.2335 2.2805 2.6669 2.7110 2.8895 2.8919 3.1390 3.2675 3.4219 3.4260 3.4400 3.4588 3.4884 3.5471 3.6017 3.7073 3.7666 3.8249 3.9683 4.0054 4.0741 4.1133 4.2849 4.3458 4.3803 4.4266 4.4275 4.4576 4.5486 4.5522 4.5904 4.5979 4.6346 4.6921 4.8463 4.8893 4.9890 5.0172 5.1752 5.1903 5.2330 5.2676 5.2961 5.3274 5.5051 5.5468 5.9743 6.0016 6.0582 6.0967 6.5232 6.5254 8.2542 8.2702 8.3299 8.3694 8.6650 8.6752 8.8501 8.9393 9.1511 9.1697 11.0917 11.1484 11.6251 11.6627 k = 0.3421 0.3421-0.0000 ( 7864 PWs) bands (ev): -48.1030 -48.1030 -25.7029 -25.7029 -23.6135 -23.6135 -23.6130 -23.6130 -4.5877 -4.5863 -4.0822 -4.0784 -4.0642 -4.0602 -3.8793 -3.8695 2.0626 2.1325 2.2107 2.2554 2.7027 2.7473 2.8589 2.8590 3.1559 3.2754 3.4192 3.4244 3.4491 3.4682 3.4916 3.5537 3.6220 3.7189 3.7716 3.8331 3.9724 4.0117 4.0906 4.1241 4.2835 4.3405 4.3771 4.4273 4.4306 4.4613 4.5484 4.5487 4.5859 4.5934 4.6468 4.6988 4.8555 4.8921 4.9862 5.0158 5.1875 5.2018 5.2544 5.2679 5.2879 5.3182 5.5237 5.5676 5.9486 5.9950 6.0522 6.1041 6.5123 6.5188 8.2482 8.2838 8.3253 8.3457 8.6269 8.6370 8.8270 8.9213 9.1432 9.1635 11.0736 11.1381 11.5946 11.6150 k = 0.3289 0.3289-0.0000 ( 7868 PWs) bands (ev): -48.1030 -48.1030 -25.7029 -25.7029 -23.6135 -23.6135 -23.6130 -23.6129 -4.6212 -4.6199 -4.0699 -4.0661 -4.0520 -4.0480 -3.8664 -3.8567 2.0426 2.1113 2.1859 2.2283 2.7325 2.7833 2.8263 2.8348 3.1772 3.2871 3.4167 3.4230 3.4584 3.4743 3.4989 3.5613 3.6423 3.7284 3.7792 3.8424 3.9764 4.0175 4.1064 4.1341 4.2822 4.3343 4.3737 4.4280 4.4329 4.4647 4.5457 4.5475 4.5820 4.5891 4.6600 4.7066 4.8645 4.8934 4.9845 5.0167 5.1852 5.2268 5.2633 5.2739 5.2863 5.3111 5.5401 5.5865 5.9188 5.9755 6.0594 6.1151 6.5056 6.5162 8.2346 8.2981 8.3234 8.3314 8.5903 8.6002 8.8037 8.9020 9.1332 9.1548 11.0503 11.1228 11.5543 11.5715 k = 0.3158 0.3158-0.0000 ( 7870 PWs) bands (ev): -48.1030 -48.1030 -25.7029 -25.7029 -23.6135 -23.6135 -23.6129 -23.6129 -4.6543 -4.6532 -4.0570 -4.0531 -4.0391 -4.0352 -3.8547 -3.8451 2.0215 2.0882 2.1594 2.1993 2.7420 2.7869 2.8261 2.8315 3.2027 3.3021 3.4144 3.4219 3.4674 3.4769 3.5104 3.5701 3.6625 3.7358 3.7894 3.8530 3.9803 4.0227 4.1212 4.1435 4.2811 4.3272 4.3704 4.4288 4.4343 4.4676 4.5434 4.5458 4.5789 4.5854 4.6742 4.7156 4.8732 4.8939 4.9842 5.0193 5.1835 5.2404 5.2625 5.2823 5.2914 5.3136 5.5557 5.6044 5.8861 5.9476 6.0761 6.1296 6.5026 6.5170 8.2179 8.3000 8.3158 8.3437 8.5554 8.5650 8.7800 8.8813 9.1209 9.1436 11.0210 11.1007 11.5136 11.5332 k = 0.3026 0.3026-0.0000 ( 7868 PWs) bands (ev): -48.1030 -48.1030 -25.7029 -25.7029 -23.6134 -23.6134 -23.6129 -23.6129 -4.6870 -4.6860 -4.0435 -4.0395 -4.0257 -4.0219 -3.8441 -3.8347 1.9993 2.0633 2.1313 2.1688 2.7250 2.7540 2.8552 2.8625 3.2321 3.3197 3.4124 3.4216 3.4756 3.4776 3.5244 3.5805 3.6822 3.7418 3.8017 3.8650 3.9840 4.0272 4.1348 4.1523 4.2801 4.3194 4.3674 4.4293 4.4351 4.4695 4.5418 4.5431 4.5766 4.5828 4.6891 4.7257 4.8817 4.8940 4.9854 5.0232 5.1827 5.2333 5.2743 5.2767 5.3024 5.3266 5.5725 5.6225 5.8519 5.9157 6.0985 6.1470 6.5027 6.5205 8.2013 8.2814 8.3310 8.3591 8.5229 8.5318 8.7557 8.8593 9.1061 9.1298 10.9850 11.0703 11.4773 11.5010 k = 0.2895 0.2895-0.0000 ( 7860 PWs) bands (ev): -48.1030 -48.1030 -25.7029 -25.7029 -23.6134 -23.6134 -23.6129 -23.6129 -4.7191 -4.7182 -4.0295 -4.0254 -4.0118 -4.0081 -3.8346 -3.8254 1.9759 2.0368 2.1018 2.1370 2.6974 2.7199 2.8895 2.9000 3.2647 3.3389 3.4107 3.4226 3.4775 3.4826 3.5400 3.5926 3.7011 3.7472 3.8155 3.8787 3.9875 4.0312 4.1472 4.1607 4.2792 4.3112 4.3652 4.4293 4.4350 4.4705 4.5394 4.5411 4.5753 4.5814 4.7045 4.7370 4.8905 4.8944 4.9879 5.0278 5.1828 5.2215 5.2670 5.2832 5.3177 5.3383 5.5931 5.6426 5.8173 5.8816 6.1248 6.1669 6.5053 6.5261 8.1861 8.2643 8.3464 8.3758 8.4936 8.5009 8.7307 8.8361 9.0889 9.1134 10.9422 11.0304 11.4472 11.4748 k = 0.2763 0.2763-0.0000 ( 7864 PWs) bands (ev): -48.1030 -48.1030 -25.7029 -25.7029 -23.6133 -23.6133 -23.6129 -23.6129 -4.7505 -4.7497 -4.0151 -4.0109 -3.9975 -3.9939 -3.8262 -3.8172 1.9517 2.0090 2.0711 2.1042 2.6671 2.6860 2.9263 2.9371 3.3000 3.3581 3.4092 3.4261 3.4768 3.4884 3.5566 3.6064 3.7189 3.7524 3.8301 3.8941 3.9909 4.0345 4.1579 4.1687 4.2783 4.3025 4.3640 4.4285 4.4337 4.4712 4.5349 4.5413 4.5750 4.5811 4.7201 4.7492 4.8953 4.8998 4.9916 5.0330 5.1839 5.2090 5.2564 5.2893 5.3317 5.3442 5.6192 5.6659 5.7833 5.8468 6.1538 6.1887 6.5096 6.5331 8.1731 8.2493 8.3594 8.3918 8.4693 8.4736 8.7050 8.8118 9.0695 9.0947 10.8926 10.9813 11.4235 11.4542 k = 0.2632 0.2632-0.0000 ( 7865 PWs) bands (ev): -48.1030 -48.1030 -25.7028 -25.7028 -23.6133 -23.6133 -23.6129 -23.6129 -4.7811 -4.7804 -4.0004 -3.9961 -3.9828 -3.9794 -3.8188 -3.8100 1.9267 1.9802 2.0395 2.0705 2.6362 2.6526 2.9635 2.9734 3.3372 3.3745 3.4082 3.4346 3.4759 3.4930 3.5740 3.6218 3.7355 3.7579 3.8451 3.9111 3.9941 4.0373 4.1671 4.1762 4.2772 4.2936 4.3644 4.4265 4.4305 4.4724 4.5304 4.5424 4.5754 4.5818 4.7355 4.7624 4.8971 4.9102 4.9964 5.0383 5.1861 5.1965 5.2456 5.2945 5.3416 5.3436 5.6516 5.6922 5.7522 5.8119 6.1846 6.2120 6.5150 6.5409 8.1625 8.2367 8.3658 8.4017 8.4538 8.4546 8.6785 8.7865 9.0481 9.0738 10.8370 10.9237 11.4044 11.4381 k = 0.2500 0.2500-0.0000 ( 7867 PWs) bands (ev): -48.1030 -48.1030 -25.7028 -25.7028 -23.6132 -23.6132 -23.6129 -23.6129 -4.8108 -4.8102 -3.9854 -3.9810 -3.9680 -3.9647 -3.8123 -3.8038 1.9012 1.9507 2.0072 2.0363 2.6055 2.6198 2.9999 3.0087 3.3749 3.3853 3.4080 3.4499 3.4748 3.4967 3.5921 3.6386 3.7508 3.7639 3.8604 3.9294 3.9972 4.0395 4.1746 4.1832 4.2758 4.2847 4.3668 4.4232 4.4248 4.4751 4.5263 4.5442 4.5765 4.5831 4.7505 4.7764 4.9000 4.9221 5.0019 5.0438 5.1843 5.1892 5.2351 5.2990 5.3373 5.3468 5.6897 5.7036 5.7431 5.7778 6.2163 6.2360 6.5210 6.5490 8.1544 8.2266 8.3609 8.3946 8.4515 8.4539 8.6513 8.7605 9.0249 9.0511 10.7760 10.8589 11.3866 11.4253 k = 0.2368 0.2368-0.0000 ( 7853 PWs) bands (ev): -48.1030 -48.1030 -25.7028 -25.7028 -23.6132 -23.6132 -23.6128 -23.6128 -4.8396 -4.8390 -3.9703 -3.9658 -3.9529 -3.9499 -3.8067 -3.7985 1.8754 1.9208 1.9744 2.0017 2.5753 2.5878 3.0353 3.0427 3.3912 3.4023 3.4180 3.4688 3.4762 3.5002 3.6107 3.6565 3.7648 3.7705 3.8756 3.9489 4.0004 4.0414 4.1804 4.1897 4.2739 4.2758 4.3713 4.4168 4.4185 4.4799 4.5233 4.5466 4.5782 4.5849 4.7650 4.7909 4.9042 4.9361 5.0080 5.0491 5.1727 5.1925 5.2255 5.3023 5.3269 5.3485 5.6800 5.7307 5.7466 5.7759 6.2484 6.2606 6.5273 6.5570 8.1488 8.2189 8.3467 8.3757 8.4599 8.4656 8.6238 8.7343 9.0003 9.0270 10.7100 10.7884 11.3642 11.4141 k = 0.2237 0.2237-0.0000 ( 7861 PWs) bands (ev): -48.1030 -48.1030 -25.7028 -25.7028 -23.6131 -23.6131 -23.6128 -23.6128 -4.8672 -4.8667 -3.9551 -3.9506 -3.9379 -3.9351 -3.8018 -3.7940 1.8495 1.8909 1.9413 1.9670 2.5457 2.5565 3.0691 3.0751 3.3944 3.4047 3.4502 3.4706 3.4976 3.5056 3.6296 3.6751 3.7775 3.7780 3.8904 3.9688 4.0034 4.0429 4.1846 4.1955 4.2671 4.2713 4.3770 4.4065 4.4133 4.4866 4.5217 4.5496 4.5802 4.5870 4.7788 4.8057 4.9098 4.9522 5.0144 5.0542 5.1619 5.1941 5.2189 5.3033 5.3140 5.3490 5.6527 5.7119 5.7806 5.8191 6.2802 6.2851 6.5333 6.5646 8.1458 8.2137 8.3288 8.3546 8.4721 8.4786 8.5964 8.7087 8.9748 9.0019 10.6397 10.7129 11.3318 11.4018 k = 0.2105 0.2105-0.0000 ( 7875 PWs) bands (ev): -48.1031 -48.1031 -25.7028 -25.7028 -23.6131 -23.6131 -23.6128 -23.6128 -4.8937 -4.8932 -3.9400 -3.9354 -3.9229 -3.9203 -3.7977 -3.7902 1.8238 1.8612 1.9083 1.9323 2.5169 2.5262 3.1011 3.1058 3.3964 3.4053 3.4691 3.4745 3.5193 3.5235 3.6489 3.6942 3.7863 3.7892 3.9047 3.9886 4.0066 4.0441 4.1875 4.2005 4.2588 4.2683 4.3800 4.3947 4.4115 4.4950 4.5214 4.5531 4.5824 4.5892 4.7922 4.8207 4.9167 4.9704 5.0208 5.0591 5.1518 5.1903 5.2183 5.3002 5.3010 5.3506 5.6267 5.6820 5.8303 5.8669 6.3093 6.3112 6.5390 6.5714 8.1452 8.2108 8.3104 8.3341 8.4833 8.4885 8.5707 8.6850 8.9490 8.9762 10.5654 10.6332 11.2914 11.3721 k = 0.1974 0.1974-0.0000 ( 7881 PWs) bands (ev): -48.1031 -48.1031 -25.7027 -25.7027 -23.6131 -23.6131 -23.6128 -23.6128 -4.9189 -4.9185 -3.9251 -3.9205 -3.9080 -3.9057 -3.7943 -3.7872 1.7985 1.8322 1.8756 1.8980 2.4890 2.4969 3.1310 3.1346 3.3982 3.4060 3.4674 3.4837 3.5458 3.5496 3.6682 3.7136 3.7956 3.7999 3.9184 4.0078 4.0098 4.0452 4.1893 4.2045 4.2512 4.2648 4.3755 4.3816 4.4182 4.5048 4.5225 4.5571 4.5847 4.5915 4.8055 4.8357 4.9250 4.9905 5.0273 5.0636 5.1429 5.1821 5.2219 5.2879 5.2950 5.3547 5.6029 5.6538 5.8825 5.9179 6.3329 6.3411 6.5440 6.5774 8.1470 8.2101 8.2931 8.3148 8.4871 8.4925 8.5514 8.6649 8.9234 8.9505 10.4875 10.5497 11.2484 11.3204 k = 0.1842 0.1842-0.0000 ( 7889 PWs) bands (ev): -48.1031 -48.1031 -25.7027 -25.7027 -23.6130 -23.6130 -23.6128 -23.6128 -4.9428 -4.9425 -3.9104 -3.9059 -3.8935 -3.8914 -3.7914 -3.7847 1.7739 1.8039 1.8434 1.8643 2.4622 2.4688 3.1587 3.1612 3.4001 3.4073 3.4656 3.4858 3.5750 3.5763 3.6877 3.7332 3.8057 3.8097 3.9312 4.0132 4.0257 4.0463 4.1904 4.2075 4.2444 4.2610 4.3652 4.3678 4.4313 4.5154 4.5248 4.5615 4.5871 4.5938 4.8190 4.8506 4.9346 5.0119 5.0337 5.0675 5.1352 5.1723 5.2239 5.2804 5.2865 5.3611 5.5813 5.6274 5.9363 5.9710 6.3556 6.3694 6.5483 6.5824 8.1508 8.2111 8.2775 8.2972 8.4758 8.4882 8.5455 8.6500 8.8987 8.9253 10.4061 10.4630 11.2059 11.2700 k = 0.1711 0.1711-0.0000 ( 7889 PWs) bands (ev): -48.1031 -48.1031 -25.7027 -25.7027 -23.6130 -23.6130 -23.6128 -23.6128 -4.9654 -4.9651 -3.8962 -3.8917 -3.8793 -3.8775 -3.7890 -3.7828 1.7501 1.7768 1.8121 1.8315 2.4365 2.4419 3.1840 3.1857 3.4023 3.4091 3.4638 3.4854 3.5994 3.6055 3.7069 3.7528 3.8165 3.8189 3.9431 4.0167 4.0415 4.0477 4.1911 4.2091 4.2389 4.2571 4.3523 4.3534 4.4475 4.5264 4.5280 4.5664 4.5895 4.5961 4.8331 4.8652 4.9451 5.0319 5.0422 5.0708 5.1291 5.1618 5.2206 5.2768 5.2816 5.3692 5.5622 5.6032 5.9913 6.0256 6.3774 6.3958 6.5517 6.5862 8.1566 8.2131 8.2643 8.2812 8.4527 8.4752 8.5497 8.6408 8.8754 8.9010 10.3217 10.3732 11.1654 11.2226 k = 0.1579 0.1579-0.0000 ( 7893 PWs) bands (ev): -48.1032 -48.1032 -25.7027 -25.7027 -23.6129 -23.6129 -23.6128 -23.6128 -4.9865 -4.9863 -3.8825 -3.8781 -3.8656 -3.8640 -3.7871 -3.7813 1.7273 1.7508 1.7818 1.7998 2.4120 2.4164 3.2067 3.2076 3.4051 3.4117 3.4620 3.4840 3.6223 3.6319 3.7260 3.7723 3.8273 3.8278 3.9540 4.0203 4.0478 4.0566 4.1917 4.2093 4.2348 4.2531 4.3383 4.3387 4.4651 4.5320 4.5372 4.5715 4.5917 4.5982 4.8480 4.8794 4.9561 5.0410 5.0611 5.0729 5.1251 5.1511 5.2129 5.2671 5.2908 5.3785 5.5455 5.5811 6.0469 6.0809 6.3979 6.4202 6.5543 6.5888 8.1638 8.2145 8.2549 8.2671 8.4255 8.4552 8.5566 8.6355 8.8539 8.8781 10.2346 10.2808 11.1276 11.1788 k = 0.1447 0.1447-0.0000 ( 7903 PWs) bands (ev): -48.1032 -48.1032 -25.7027 -25.7027 -23.6129 -23.6129 -23.6128 -23.6128 -5.0061 -5.0060 -3.8694 -3.8652 -3.8525 -3.8512 -3.7855 -3.7802 1.7057 1.7263 1.7529 1.7694 2.3889 2.3924 3.2265 3.2269 3.4086 3.4150 3.4604 3.4821 3.6435 3.6548 3.7447 3.7915 3.8352 3.8392 3.9642 4.0238 4.0492 4.0681 4.1922 4.2081 4.2323 4.2493 4.3238 4.3241 4.4830 4.5368 4.5472 4.5768 4.5939 4.6001 4.8637 4.8933 4.9670 5.0452 5.0734 5.0831 5.1237 5.1404 5.2047 5.2583 5.3050 5.3888 5.5314 5.5613 6.1026 6.1361 6.4171 6.4421 6.5561 6.5903 8.1719 8.2131 8.2508 8.2550 8.3978 8.4309 8.5634 8.6323 8.8347 8.8566 10.1454 10.1862 11.0929 11.1386 k = 0.1316 0.1316-0.0000 ( 7905 PWs) bands (ev): -48.1032 -48.1032 -25.7027 -25.7027 -23.6129 -23.6129 -23.6127 -23.6127 -5.0242 -5.0241 -3.8571 -3.8532 -3.8401 -3.8390 -3.7841 -3.7794 1.6855 1.7035 1.7256 1.7406 2.3673 2.3700 3.2435 3.2436 3.4129 3.4191 3.4590 3.4798 3.6629 3.6743 3.7629 3.8101 3.8426 3.8503 3.9739 4.0272 4.0506 4.0772 4.1928 4.2064 4.2308 4.2456 4.3093 4.3098 4.5005 4.5421 4.5563 4.5821 4.5959 4.6019 4.8800 4.9067 4.9773 5.0475 5.0722 5.1025 5.1251 5.1308 5.1989 5.2508 5.3222 5.3997 5.5199 5.5439 6.1578 6.1906 6.4349 6.4615 6.5572 6.5907 8.1799 8.2085 8.2451 8.2513 8.3712 8.4049 8.5700 8.6298 8.8175 8.8368 10.0547 10.0901 11.0614 11.1021 k = 0.1184 0.1184-0.0000 ( 7905 PWs) bands (ev): -48.1032 -48.1032 -25.7026 -25.7026 -23.6128 -23.6128 -23.6127 -23.6127 -5.0407 -5.0406 -3.8456 -3.8420 -3.8285 -3.8276 -3.7830 -3.7788 1.6668 1.6823 1.7002 1.7137 2.3473 2.3494 3.2577 3.2577 3.4178 3.4238 3.4577 3.4773 3.6804 3.6908 3.7804 3.8277 3.8494 3.8607 3.9832 4.0305 4.0521 4.0837 4.1937 4.2045 4.2299 4.2421 4.2951 4.2959 4.5170 4.5479 4.5642 4.5872 4.5978 4.6036 4.8966 4.9196 4.9863 5.0480 5.0694 5.1089 5.1290 5.1305 5.1974 5.2451 5.3416 5.4113 5.5108 5.5291 6.2118 6.2434 6.4513 6.4783 6.5578 6.5900 8.1865 8.2023 8.2378 8.2530 8.3476 8.3791 8.5773 8.6282 8.8023 8.8185 9.9635 9.9935 11.0334 11.0694 k = 0.1053 0.1053-0.0000 ( 7915 PWs) bands (ev): -48.1032 -48.1032 -25.7026 -25.7026 -23.6128 -23.6128 -23.6127 -23.6127 -5.0555 -5.0555 -3.8351 -3.8319 -3.8178 -3.8171 -3.7819 -3.7784 1.6498 1.6630 1.6768 1.6888 2.3291 2.3305 3.2692 3.2694 3.4234 3.4291 3.4566 3.4748 3.6959 3.7045 3.7971 3.8437 3.8558 3.8701 3.9922 4.0336 4.0537 4.0877 4.1947 4.2030 4.2292 4.2388 4.2816 4.2827 4.5320 4.5542 4.5711 4.5916 4.5996 4.6050 4.9130 4.9319 4.9936 5.0468 5.0654 5.1001 5.1345 5.1402 5.2013 5.2413 5.3626 5.4233 5.5040 5.5168 6.2637 6.2936 6.4663 6.4925 6.5581 6.5884 8.1902 8.1963 8.2329 8.2516 8.3291 8.3555 8.5865 8.6282 8.7884 8.8016 9.8727 9.8973 11.0089 11.0404 k = 0.0921 0.0921-0.0000 ( 7913 PWs) bands (ev): -48.1032 -48.1032 -25.7026 -25.7026 -23.6128 -23.6128 -23.6127 -23.6127 -5.0688 -5.0687 -3.8256 -3.8230 -3.8081 -3.8076 -3.7809 -3.7781 1.6346 1.6457 1.6557 1.6663 2.3127 2.3137 3.2785 3.2786 3.4293 3.4348 3.4558 3.4722 3.7094 3.7160 3.8129 3.8577 3.8618 3.8782 4.0012 4.0366 4.0555 4.0894 4.1959 4.2019 4.2287 4.2359 4.2690 4.2704 4.5451 4.5607 4.5771 4.5953 4.6014 4.6063 4.9291 4.9437 4.9991 5.0441 5.0607 5.0888 5.1409 5.1477 5.2096 5.2395 5.3846 5.4357 5.4995 5.5073 6.3127 6.3398 6.4805 6.5043 6.5582 6.5861 8.1907 8.1911 8.2291 8.2445 8.3171 8.3356 8.5988 8.6313 8.7755 8.7860 9.7836 9.8030 10.9878 11.0150 k = 0.0789 0.0789-0.0000 ( 7901 PWs) bands (ev): -48.1032 -48.1032 -25.7026 -25.7026 -23.6128 -23.6128 -23.6127 -23.6127 -5.0803 -5.0802 -3.8174 -3.8153 -3.7995 -3.7991 -3.7799 -3.7778 1.6212 1.6305 1.6371 1.6462 2.2982 2.2988 3.2857 3.2858 3.4354 3.4403 3.4553 3.4697 3.7210 3.7255 3.8277 3.8673 3.8692 3.8850 4.0102 4.0397 4.0572 4.0890 4.1971 4.2011 4.2283 4.2333 4.2576 4.2594 4.5562 4.5674 4.5820 4.5978 4.6034 4.6075 4.9444 4.9549 5.0029 5.0402 5.0556 5.0772 5.1471 5.1525 5.2196 5.2392 5.4070 5.4484 5.4967 5.5004 6.3575 6.3806 6.4943 6.5142 6.5582 6.5831 8.1868 8.1892 8.2239 8.2323 8.3107 8.3207 8.6151 8.6386 8.7635 8.7716 9.6977 9.7121 10.9700 10.9931 k = 0.0658 0.0658-0.0000 ( 7901 PWs) bands (ev): -48.1032 -48.1032 -25.7026 -25.7026 -23.6127 -23.6127 -23.6127 -23.6127 -5.0900 -5.0900 -3.8105 -3.8090 -3.7921 -3.7918 -3.7789 -3.7774 1.6099 1.6173 1.6212 1.6288 2.2858 2.2861 3.2911 3.2912 3.4411 3.4455 3.4551 3.4673 3.7305 3.7334 3.8415 3.8724 3.8781 3.8903 4.0190 4.0431 4.0588 4.0868 4.1980 4.2005 4.2280 4.2311 4.2478 4.2497 4.5654 4.5740 4.5860 4.5991 4.6057 4.6086 4.9588 4.9656 5.0054 5.0354 5.0500 5.0660 5.1526 5.1559 5.2288 5.2402 5.4287 5.4608 5.4953 5.4959 6.3964 6.4141 6.5087 6.5231 6.5585 6.5798 8.1836 8.1869 8.2159 8.2182 8.3066 8.3107 8.6354 8.6507 8.7524 8.7584 9.6169 9.6267 10.9556 10.9746 k = 0.0526 0.0526-0.0000 ( 7897 PWs) bands (ev): -48.1032 -48.1032 -25.7026 -25.7026 -23.6127 -23.6127 -23.6127 -23.6127 -5.0981 -5.0981 -3.8050 -3.8041 -3.7859 -3.7857 -3.7777 -3.7769 1.6006 1.6064 1.6081 1.6142 2.2755 2.2757 3.2952 3.2952 3.4463 3.4500 3.4551 3.4650 3.7382 3.7397 3.8540 3.8770 3.8843 3.8941 4.0276 4.0466 4.0602 4.0831 4.1984 4.1997 4.2278 4.2294 4.2399 4.2416 4.5729 4.5800 4.5891 4.5994 4.6079 4.6096 4.9721 4.9758 5.0071 5.0303 5.0441 5.0551 5.1570 5.1587 5.2361 5.2419 5.4488 5.4725 5.4934 5.4948 6.4279 6.4391 6.5242 6.5320 6.5588 6.5762 8.1814 8.1846 8.2048 8.2059 8.3031 8.3043 8.6585 8.6671 8.7424 8.7469 9.5432 9.5491 10.9444 10.9595 k = 0.0395 0.0395-0.0000 ( 7881 PWs) bands (ev): -48.1031 -48.1031 -25.7026 -25.7026 -23.6127 -23.6127 -23.6127 -23.6127 -5.1044 -5.1044 -3.8010 -3.8005 -3.7811 -3.7809 -3.7766 -3.7762 1.5934 1.5977 1.5980 1.6025 2.2674 2.2675 3.2980 3.2980 3.4507 3.4536 3.4554 3.4629 3.7440 3.7447 3.8652 3.8812 3.8881 3.8961 4.0360 4.0503 4.0611 4.0784 4.1983 4.1989 4.2276 4.2282 4.2339 4.2353 4.5792 4.5850 4.5913 4.5989 4.6098 4.6106 4.9844 4.9858 5.0084 5.0254 5.0377 5.0446 5.1603 5.1610 5.2413 5.2437 5.4661 5.4825 5.4925 5.4947 6.4505 6.4558 6.5398 6.5420 6.5595 6.5726 8.1800 8.1827 8.1937 8.1960 8.2997 8.2999 8.6822 8.6859 8.7341 8.7372 9.4794 9.4824 10.9362 10.9474 k = 0.0263 0.0263-0.0000 ( 7873 PWs) bands (ev): -48.1031 -48.1031 -25.7026 -25.7026 -23.6127 -23.6127 -23.6127 -23.6127 -5.1089 -5.1088 -3.7983 -3.7981 -3.7776 -3.7775 -3.7756 -3.7755 1.5885 1.5908 1.5913 1.5938 2.2615 2.2616 3.2999 3.2999 3.4541 3.4560 3.4562 3.4610 3.7480 3.7482 3.8749 3.8847 3.8900 3.8960 4.0441 4.0538 4.0613 4.0727 4.1978 4.1980 4.2275 4.2276 4.2299 4.2309 4.5845 4.5888 4.5926 4.5976 4.6112 4.6114 4.9955 4.9955 5.0098 5.0209 5.0308 5.0345 5.1626 5.1628 5.2446 5.2453 5.4798 5.4900 5.4926 5.4947 6.4644 6.4660 6.5521 6.5529 6.5604 6.5692 8.1794 8.1812 8.1855 8.1877 8.2967 8.2967 8.7033 8.7042 8.7278 8.7298 9.4292 9.4302 10.9310 10.9381 k = 0.0132 0.0132-0.0000 ( 7861 PWs) bands (ev): -48.1030 -48.1030 -25.7026 -25.7026 -23.6127 -23.6127 -23.6127 -23.6127 -5.1115 -5.1115 -3.7968 -3.7968 -3.7754 -3.7754 -3.7749 -3.7749 1.5858 1.5868 1.5873 1.5882 2.2580 2.2580 3.3010 3.3010 3.4563 3.4570 3.4576 3.4593 3.7504 3.7504 3.8831 3.8875 3.8903 3.8938 4.0518 4.0569 4.0607 4.0662 4.1973 4.1973 4.2273 4.2274 4.2278 4.2283 4.5890 4.5913 4.5931 4.5955 4.6120 4.6120 5.0051 5.0057 5.0115 5.0170 5.0233 5.0246 5.1639 5.1639 5.2464 5.2464 5.4892 5.4932 5.4940 5.4944 6.4713 6.4715 6.5601 6.5613 6.5618 6.5662 8.1792 8.1802 8.1808 8.1820 8.2947 8.2947 8.7178 8.7179 8.7241 8.7250 9.3966 9.3967 10.9288 10.9313 k = 0.0000 0.0000 0.0000 ( 7881 PWs) bands (ev): -48.1031 -48.1031 -25.7026 -25.7026 -23.6127 -23.6127 -23.6127 -23.6127 -5.1125 -5.1125 -3.7963 -3.7963 -3.7747 -3.7747 -3.7747 -3.7747 1.5856 1.5856 1.5856 1.5856 2.2568 2.2568 3.3013 3.3013 3.4578 3.4578 3.4578 3.4578 3.7511 3.7511 3.8894 3.8894 3.8894 3.8894 4.0592 4.0592 4.0592 4.0592 4.1970 4.1970 4.2273 4.2273 4.2273 4.2273 4.5926 4.5926 4.5926 4.5926 4.6123 4.6123 5.0139 5.0139 5.0139 5.0139 5.0158 5.0158 5.1643 5.1643 5.2469 5.2469 5.4939 5.4939 5.4939 5.4939 6.4732 6.4732 6.5636 6.5636 6.5636 6.5636 8.1796 8.1796 8.1796 8.1796 8.2939 8.2939 8.7231 8.7231 8.7231 8.7231 9.3851 9.3851 10.9297 10.9297 k = 0.0000 0.0000 0.0000 ( 7881 PWs) bands (ev): -48.1031 -48.1031 -25.7026 -25.7026 -23.6127 -23.6127 -23.6127 -23.6127 -5.1125 -5.1125 -3.7963 -3.7963 -3.7747 -3.7747 -3.7747 -3.7747 1.5856 1.5856 1.5856 1.5856 2.2568 2.2568 3.3013 3.3013 3.4578 3.4578 3.4578 3.4578 3.7511 3.7511 3.8894 3.8894 3.8894 3.8894 4.0592 4.0592 4.0592 4.0592 4.1970 4.1970 4.2273 4.2273 4.2273 4.2273 4.5926 4.5926 4.5926 4.5926 4.6123 4.6123 5.0139 5.0139 5.0139 5.0139 5.0158 5.0158 5.1643 5.1643 5.2469 5.2469 5.4939 5.4939 5.4939 5.4939 6.4732 6.4732 6.5636 6.5636 6.5636 6.5636 8.1796 8.1796 8.1796 8.1796 8.2939 8.2939 8.7231 8.7231 8.7231 8.7231 9.3851 9.3851 10.9297 10.9297 k = 0.0109 0.0109 0.0109 ( 7860 PWs) bands (ev): -48.1030 -48.1030 -25.7026 -25.7026 -23.6127 -23.6127 -23.6127 -23.6127 -5.1115 -5.1115 -3.7968 -3.7968 -3.7752 -3.7752 -3.7752 -3.7752 1.5859 1.5870 1.5870 1.5883 2.2580 2.2580 3.3010 3.3010 3.4564 3.4572 3.4572 3.4594 3.7504 3.7504 3.8828 3.8889 3.8889 3.8940 4.0515 4.0588 4.0588 4.0666 4.1973 4.1973 4.2273 4.2273 4.2279 4.2284 4.5889 4.5922 4.5922 4.5957 4.6120 4.6120 5.0053 5.0053 5.0112 5.0172 5.0241 5.0241 5.1639 5.1639 5.2464 5.2464 5.4888 5.4939 5.4940 5.4940 6.4713 6.4713 6.5606 6.5606 6.5618 6.5664 8.1799 8.1803 8.1803 8.1818 8.2947 8.2947 8.7176 8.7176 8.7242 8.7252 9.3969 9.3969 10.9288 10.9319 k = 0.0217 0.0217 0.0217 ( 7866 PWs) bands (ev): -48.1031 -48.1031 -25.7026 -25.7026 -23.6127 -23.6127 -23.6127 -23.6127 -5.1088 -5.1088 -3.7982 -3.7982 -3.7767 -3.7766 -3.7766 -3.7766 1.5889 1.5912 1.5912 1.5937 2.2617 2.2617 3.2999 3.2999 3.4553 3.4554 3.4554 3.4611 3.7481 3.7481 3.8742 3.8875 3.8875 3.8961 4.0437 4.0574 4.0574 4.0733 4.1978 4.1978 4.2276 4.2276 4.2300 4.2310 4.5843 4.5907 4.5907 4.5979 4.6113 4.6113 4.9953 4.9953 5.0091 5.0212 5.0330 5.0330 5.1627 5.1627 5.2449 5.2449 5.4787 5.4892 5.4944 5.4944 6.4648 6.4648 6.5519 6.5519 6.5607 6.5699 8.1825 8.1825 8.1828 8.1863 8.2967 8.2967 8.7028 8.7028 8.7285 8.7305 9.4307 9.4307 10.9320 10.9387 k = 0.0326 0.0326 0.0326 ( 7878 PWs) bands (ev): -48.1031 -48.1031 -25.7026 -25.7026 -23.6127 -23.6127 -23.6127 -23.6127 -5.1042 -5.1042 -3.8005 -3.8005 -3.7792 -3.7790 -3.7789 -3.7789 1.5947 1.5980 1.5980 1.6020 2.2677 2.2677 3.2979 3.2979 3.4525 3.4525 3.4544 3.4631 3.7442 3.7442 3.8641 3.8850 3.8850 3.8955 4.0360 4.0552 4.0552 4.0793 4.1981 4.1981 4.2286 4.2286 4.2338 4.2353 4.5788 4.5881 4.5881 4.5994 4.6101 4.6101 4.9843 4.9843 5.0077 5.0260 5.0420 5.0420 5.1607 5.1607 5.2422 5.2422 5.4636 5.4804 5.4958 5.4958 6.4517 6.4517 6.5402 6.5402 6.5603 6.5738 8.1861 8.1861 8.1882 8.1932 8.2996 8.2996 8.6822 8.6822 8.7358 8.7387 9.4827 9.4827 10.9392 10.9501 k = 0.0435 0.0435 0.0435 ( 7899 PWs) bands (ev): -48.1032 -48.1032 -25.7026 -25.7026 -23.6127 -23.6127 -23.6127 -23.6127 -5.0977 -5.0977 -3.8037 -3.8037 -3.7826 -3.7824 -3.7821 -3.7821 1.6032 1.6075 1.6075 1.6130 2.2760 2.2760 3.2950 3.2950 3.4486 3.4486 3.4536 3.4651 3.7389 3.7389 3.8526 3.8815 3.8815 3.8918 4.0289 4.0523 4.0523 4.0845 4.1973 4.1973 4.2310 4.2310 4.2392 4.2411 4.5724 4.5844 4.5844 4.6000 4.6085 4.6085 4.9721 4.9721 5.0067 5.0313 5.0509 5.0509 5.1580 5.1580 5.2383 5.2383 5.4441 5.4682 5.4990 5.4990 6.4294 6.4294 6.5286 6.5286 6.5605 6.5777 8.1910 8.1910 8.1962 8.2023 8.3026 8.3026 8.6598 8.6598 8.7459 8.7496 9.5486 9.5486 10.9506 10.9660 k = 0.0543 0.0543 0.0543 ( 7905 PWs) bands (ev): -48.1032 -48.1032 -25.7026 -25.7026 -23.6127 -23.6127 -23.6127 -23.6127 -5.0895 -5.0895 -3.8078 -3.8078 -3.7869 -3.7866 -3.7861 -3.7861 1.6143 1.6195 1.6195 1.6267 2.2865 2.2865 3.2909 3.2909 3.4438 3.4438 3.4531 3.4673 3.7321 3.7321 3.8397 3.8771 3.8771 3.8846 4.0228 4.0489 4.0489 4.0890 4.1947 4.1947 4.2353 4.2353 4.2460 4.2484 4.5653 4.5796 4.5796 4.6000 4.6067 4.6067 4.9584 4.9584 5.0061 5.0372 5.0597 5.0597 5.1546 5.1546 5.2331 5.2331 5.4208 5.4536 5.5047 5.5047 6.3968 6.3968 6.5189 6.5189 6.5610 6.5815 8.1967 8.1967 8.2065 8.2133 8.3049 8.3049 8.6393 8.6393 8.7584 8.7627 9.6243 9.6243 10.9664 10.9866 k = 0.0652 0.0652 0.0652 ( 7908 PWs) bands (ev): -48.1032 -48.1032 -25.7026 -25.7026 -23.6127 -23.6127 -23.6127 -23.6127 -5.0795 -5.0795 -3.8127 -3.8127 -3.7921 -3.7918 -3.7910 -3.7910 1.6278 1.6339 1.6339 1.6430 2.2993 2.2993 3.2854 3.2854 3.4385 3.4385 3.4529 3.4696 3.7239 3.7239 3.8256 3.8717 3.8717 3.8740 4.0177 4.0451 4.0451 4.0926 4.1903 4.1903 4.2414 4.2414 4.2541 4.2571 4.5573 4.5737 4.5737 4.5993 4.6047 4.6047 4.9432 4.9432 5.0059 5.0437 5.0681 5.0681 5.1505 5.1505 5.2273 5.2273 5.3945 5.4373 5.5137 5.5137 6.3549 6.3549 6.5110 6.5110 6.5613 6.5847 8.2031 8.2031 8.2192 8.2262 8.3058 8.3058 8.6233 8.6233 8.7728 8.7775 9.7063 9.7063 10.9866 11.0117 k = 0.0761 0.0761 0.0761 ( 7914 PWs) bands (ev): -48.1032 -48.1032 -25.7026 -25.7026 -23.6128 -23.6128 -23.6128 -23.6128 -5.0677 -5.0677 -3.8185 -3.8185 -3.7982 -3.7978 -3.7967 -3.7967 1.6437 1.6507 1.6507 1.6618 2.3141 2.3141 3.2780 3.2780 3.4327 3.4327 3.4529 3.4720 3.7142 3.7142 3.8103 3.8599 3.8654 3.8654 4.0136 4.0412 4.0412 4.0955 4.1842 4.1842 4.2488 4.2488 4.2634 4.2670 4.5487 4.5668 4.5668 4.5979 4.6024 4.6024 4.9262 4.9262 5.0060 5.0505 5.0755 5.0755 5.1460 5.1460 5.2214 5.2214 5.3661 5.4204 5.5264 5.5264 6.3054 6.3054 6.5040 6.5040 6.5613 6.5871 8.2092 8.2092 8.2341 8.2407 8.3053 8.3053 8.6134 8.6134 8.7887 8.7936 9.7918 9.7918 11.0113 11.0411 k = 0.0870 0.0870 0.0870 ( 7908 PWs) bands (ev): -48.1032 -48.1032 -25.7026 -25.7026 -23.6128 -23.6128 -23.6128 -23.6128 -5.0542 -5.0542 -3.8250 -3.8250 -3.8051 -3.8046 -3.8031 -3.8031 1.6617 1.6695 1.6695 1.6829 2.3308 2.3308 3.2685 3.2685 3.4271 3.4271 3.4532 3.4744 3.7031 3.7031 3.7940 3.8425 3.8580 3.8580 4.0106 4.0370 4.0370 4.0977 4.1764 4.1764 4.2574 4.2574 4.2737 4.2779 4.5394 4.5588 4.5588 4.5959 4.5999 4.5999 4.9078 4.9078 5.0064 5.0576 5.0808 5.0808 5.1420 5.1420 5.2164 5.2164 5.3365 5.4036 5.5431 5.5431 6.2501 6.2501 6.4971 6.4971 6.5607 6.5883 8.2141 8.2141 8.2510 8.2566 8.3043 8.3043 8.6101 8.6101 8.8057 8.8105 9.8779 9.8779 11.0401 11.0744 k = 0.0978 0.0978 0.0978 ( 7908 PWs) bands (ev): -48.1032 -48.1032 -25.7027 -25.7027 -23.6128 -23.6128 -23.6128 -23.6128 -5.0390 -5.0390 -3.8323 -3.8323 -3.8127 -3.8122 -3.8102 -3.8102 1.6817 1.6903 1.6903 1.7061 2.3492 2.3492 3.2564 3.2564 3.4217 3.4217 3.4538 3.4768 3.6907 3.6907 3.7767 3.8223 3.8498 3.8498 4.0083 4.0327 4.0327 4.0993 4.1673 4.1673 4.2665 4.2665 4.2847 4.2897 4.5296 4.5498 4.5498 4.5931 4.5973 4.5973 4.8880 4.8880 5.0070 5.0649 5.0822 5.0822 5.1402 5.1402 5.2130 5.2130 5.3067 5.3877 5.5635 5.5635 6.1902 6.1902 6.4899 6.4899 6.5591 6.5883 8.2165 8.2165 8.2698 8.2738 8.3048 8.3048 8.6129 8.6129 8.8233 8.8278 9.9621 9.9621 11.0729 11.1109 k = 0.1087 0.1087 0.1087 ( 7902 PWs) bands (ev): -48.1032 -48.1032 -25.7027 -25.7027 -23.6128 -23.6128 -23.6128 -23.6128 -5.0221 -5.0221 -3.8403 -3.8403 -3.8210 -3.8205 -3.8179 -3.8179 1.7034 1.7128 1.7128 1.7313 2.3693 2.3693 3.2415 3.2415 3.4169 3.4169 3.4546 3.4790 3.6770 3.6770 3.7585 3.7996 3.8408 3.8408 4.0067 4.0283 4.0283 4.1005 4.1568 4.1568 4.2762 4.2762 4.2962 4.3021 4.5196 4.5398 4.5398 4.5898 4.5945 4.5945 4.8673 4.8673 5.0081 5.0722 5.0785 5.0785 5.1423 5.1423 5.2115 5.2115 5.2777 5.3732 5.5876 5.5876 6.1270 6.1270 6.4820 6.4820 6.5565 6.5870 8.2156 8.2156 8.2902 8.2920 8.3086 8.3086 8.6208 8.6208 8.8412 8.8451 10.0420 10.0420 11.1087 11.1498 k = 0.1196 0.1196 0.1196 ( 7902 PWs) bands (ev): -48.1032 -48.1032 -25.7027 -25.7027 -23.6128 -23.6128 -23.6128 -23.6128 -5.0036 -5.0036 -3.8489 -3.8489 -3.8300 -3.8294 -3.8263 -3.8263 1.7265 1.7367 1.7367 1.7582 2.3907 2.3907 3.2235 3.2235 3.4129 3.4129 3.4557 3.4811 3.6622 3.6622 3.7395 3.7749 3.8311 3.8311 4.0054 4.0234 4.0234 4.1012 4.1451 4.1451 4.2859 4.2859 4.3078 4.3149 4.5096 4.5289 4.5289 4.5859 4.5916 4.5916 4.8462 4.8462 5.0098 5.0709 5.0709 5.0794 5.1479 5.1479 5.2118 5.2118 5.2504 5.3605 5.6150 5.6150 6.0613 6.0613 6.4732 6.4732 6.5527 6.5842 8.2118 8.2118 8.3110 8.3122 8.3162 8.3162 8.6328 8.6328 8.8592 8.8622 10.1152 10.1152 11.1467 11.1898 k = 0.1304 0.1304 0.1304 ( 7901 PWs) bands (ev): -48.1032 -48.1032 -25.7027 -25.7027 -23.6129 -23.6129 -23.6129 -23.6129 -4.9836 -4.9836 -3.8581 -3.8581 -3.8396 -3.8390 -3.8351 -3.8351 1.7509 1.7617 1.7617 1.7865 2.4132 2.4132 3.2023 3.2023 3.4097 3.4097 3.4571 3.4827 3.6465 3.6465 3.7200 3.7488 3.8208 3.8208 4.0044 4.0181 4.0181 4.1015 4.1325 4.1325 4.2955 4.2955 4.3191 4.3280 4.5001 4.5171 4.5171 4.5815 4.5887 4.5887 4.8250 4.8250 5.0123 5.0617 5.0617 5.0861 5.1556 5.1556 5.2136 5.2136 5.2256 5.3499 5.6455 5.6455 5.9939 5.9939 6.4636 6.4636 6.5476 6.5801 8.2068 8.2068 8.3270 8.3270 8.3306 8.3354 8.6478 8.6478 8.8771 8.8789 10.1799 10.1799 11.1857 11.2298 k = 0.1413 0.1413 0.1413 ( 7901 PWs) bands (ev): -48.1032 -48.1032 -25.7027 -25.7027 -23.6129 -23.6129 -23.6129 -23.6129 -4.9620 -4.9620 -3.8678 -3.8678 -3.8497 -3.8490 -3.8444 -3.8444 1.7761 1.7877 1.7877 1.8160 2.4365 2.4365 3.1779 3.1779 3.4073 3.4073 3.4588 3.4836 3.6300 3.6300 3.7000 3.7219 3.8100 3.8100 4.0035 4.0118 4.0118 4.1014 4.1193 4.1193 4.3048 4.3048 4.3295 4.3409 4.4914 4.5047 4.5047 4.5766 4.5858 4.5858 4.8043 4.8043 5.0158 5.0527 5.0527 5.0923 5.1644 5.1644 5.2042 5.2165 5.2165 5.3414 5.6787 5.6787 5.9256 5.9256 6.4532 6.4532 6.5413 6.5745 8.2022 8.2022 8.3400 8.3400 8.3506 8.3596 8.6652 8.6652 8.8949 8.8952 10.2346 10.2346 11.2243 11.2682 k = 0.1522 0.1522 0.1522 ( 7907 PWs) bands (ev): -48.1032 -48.1032 -25.7027 -25.7027 -23.6129 -23.6129 -23.6129 -23.6129 -4.9390 -4.9390 -3.8780 -3.8780 -3.8602 -3.8595 -3.8541 -3.8541 1.8019 1.8141 1.8141 1.8464 2.4603 2.4603 3.1503 3.1503 3.4056 3.4056 3.4607 3.4835 3.6131 3.6131 3.6797 3.6949 3.7989 3.7989 4.0027 4.0041 4.0041 4.1009 4.1061 4.1061 4.3135 4.3135 4.3386 4.3535 4.4842 4.4918 4.4918 4.5716 4.5829 4.5829 4.7843 4.7843 5.0205 5.0453 5.0453 5.0976 5.1734 5.1734 5.1871 5.2202 5.2202 5.3350 5.7142 5.7142 5.8572 5.8572 6.4420 6.4420 6.5339 6.5677 8.1993 8.1993 8.3544 8.3544 8.3707 8.3846 8.6846 8.6846 8.9112 8.9128 10.2783 10.2783 11.2611 11.3038 k = 0.1630 0.1630 0.1630 ( 7907 PWs) bands (ev): -48.1032 -48.1032 -25.7028 -25.7028 -23.6130 -23.6130 -23.6130 -23.6130 -4.9147 -4.9147 -3.8886 -3.8886 -3.8712 -3.8705 -3.8642 -3.8642 1.8280 1.8406 1.8406 1.8773 2.4844 2.4844 3.1198 3.1198 3.4044 3.4044 3.4630 3.4818 3.5961 3.5961 3.6596 3.6689 3.7875 3.7875 3.9942 3.9942 4.0020 4.0936 4.0936 4.0999 4.3212 4.3212 4.3458 4.3655 4.4787 4.4787 4.4790 4.5665 4.5800 4.5800 4.7655 4.7655 5.0269 5.0404 5.0404 5.1018 5.1746 5.1823 5.1823 5.2246 5.2246 5.3305 5.7498 5.7498 5.7912 5.7912 6.4301 6.4301 6.5254 6.5598 8.1990 8.1990 8.3695 8.3695 8.3908 8.4101 8.7058 8.7058 8.9272 8.9308 10.3112 10.3112 11.2949 11.3357 k = 0.1739 0.1739 0.1739 ( 7889 PWs) bands (ev): -48.1031 -48.1031 -25.7028 -25.7028 -23.6130 -23.6130 -23.6130 -23.6130 -4.8890 -4.8890 -3.8996 -3.8996 -3.8824 -3.8817 -3.8745 -3.8745 1.8539 1.8670 1.8670 1.9083 2.5081 2.5081 3.0866 3.0866 3.4037 3.4037 3.4655 3.4777 3.5795 3.5795 3.6398 3.6452 3.7760 3.7760 3.9819 3.9819 4.0013 4.0825 4.0825 4.0986 4.3279 4.3279 4.3505 4.3765 4.4658 4.4658 4.4765 4.5617 4.5773 4.5773 4.7480 4.7480 5.0349 5.0383 5.0383 5.1051 5.1672 5.1907 5.1907 5.2295 5.2295 5.3280 5.7184 5.7184 5.7953 5.7953 6.4177 6.4177 6.5160 6.5509 8.2018 8.2018 8.3849 8.3849 8.4105 8.4358 8.7285 8.7285 8.9433 8.9493 10.3338 10.3338 11.3248 11.3633 k = 0.1848 0.1848 0.1848 ( 7883 PWs) bands (ev): -48.1031 -48.1031 -25.7028 -25.7028 -23.6130 -23.6130 -23.6130 -23.6130 -4.8620 -4.8620 -3.9108 -3.9108 -3.8940 -3.8932 -3.8850 -3.8850 1.8793 1.8927 1.8927 1.9391 2.5311 2.5311 3.0508 3.0508 3.4031 3.4031 3.4682 3.4702 3.5637 3.5637 3.6208 3.6251 3.7645 3.7645 3.9667 3.9667 4.0004 4.0732 4.0732 4.0967 4.3332 4.3332 4.3526 4.3863 4.4535 4.4535 4.4768 4.5575 4.5748 4.5748 4.7319 4.7319 5.0393 5.0393 5.0446 5.1080 5.1641 5.1983 5.1983 5.2345 5.2345 5.3271 5.6534 5.6534 5.8364 5.8364 6.4049 6.4049 6.5059 6.5414 8.2081 8.2081 8.4001 8.4001 8.4296 8.4612 8.7528 8.7528 8.9599 8.9684 10.3474 10.3474 11.3501 11.3863 k = 0.1957 0.1957 0.1957 ( 7871 PWs) bands (ev): -48.1031 -48.1031 -25.7028 -25.7028 -23.6131 -23.6131 -23.6130 -23.6130 -4.8340 -4.8340 -3.9223 -3.9223 -3.9057 -3.9050 -3.8957 -3.8957 1.9038 1.9173 1.9173 1.9691 2.5527 2.5527 3.0130 3.0130 3.4027 3.4027 3.4587 3.4710 3.5492 3.5492 3.6028 3.6099 3.7530 3.7530 3.9491 3.9491 3.9995 4.0656 4.0656 4.0944 4.3370 4.3370 4.3524 4.3947 4.4422 4.4422 4.4796 4.5542 4.5724 4.5724 4.7174 4.7174 5.0432 5.0432 5.0561 5.1116 5.1643 5.2049 5.2049 5.2396 5.2396 5.3277 5.5901 5.5901 5.8798 5.8798 6.3920 6.3920 6.4953 6.5313 8.2179 8.2179 8.4149 8.4149 8.4480 8.4861 8.7788 8.7788 8.9773 8.9885 10.3535 10.3535 11.3706 11.4047 k = 0.2065 0.2065 0.2065 ( 7868 PWs) bands (ev): -48.1030 -48.1030 -25.7028 -25.7028 -23.6131 -23.6131 -23.6131 -23.6131 -4.8049 -4.8049 -3.9339 -3.9339 -3.9176 -3.9168 -3.9064 -3.9064 1.9271 1.9405 1.9405 1.9979 2.5723 2.5723 2.9736 2.9736 3.4022 3.4022 3.4435 3.4739 3.5365 3.5365 3.5863 3.5997 3.7418 3.7418 3.9296 3.9296 3.9983 4.0595 4.0595 4.0914 4.3390 4.3390 4.3506 4.4016 4.4325 4.4325 4.4844 4.5521 4.5703 4.5703 4.7042 4.7042 5.0497 5.0497 5.0692 5.1169 5.1667 5.2100 5.2100 5.2446 5.2446 5.3299 5.5301 5.5301 5.9248 5.9248 6.3793 6.3793 6.4845 6.5210 8.2314 8.2314 8.4293 8.4293 8.4653 8.5102 8.8063 8.8063 8.9960 9.0096 10.3537 10.3537 11.3861 11.4188 k = 0.2174 0.2174 0.2174 ( 7880 PWs) bands (ev): -48.1031 -48.1031 -25.7029 -25.7029 -23.6131 -23.6131 -23.6131 -23.6131 -4.7748 -4.7748 -3.9456 -3.9456 -3.9295 -3.9288 -3.9172 -3.9172 1.9487 1.9618 1.9618 2.0251 2.5889 2.5889 2.9332 2.9332 3.4016 3.4016 3.4258 3.4767 3.5260 3.5260 3.5717 3.5941 3.7308 3.7308 3.9091 3.9091 3.9969 4.0544 4.0544 4.0877 4.3391 4.3391 4.3479 4.4070 4.4244 4.4244 4.4904 4.5512 4.5682 4.5682 4.6925 4.6925 5.0580 5.0580 5.0836 5.1243 5.1704 5.2131 5.2131 5.2491 5.2491 5.3334 5.4748 5.4748 5.9711 5.9711 6.3672 6.3672 6.4738 6.5108 8.2484 8.2484 8.4430 8.4430 8.4815 8.5331 8.8354 8.8354 9.0162 9.0321 10.3496 10.3496 11.3969 11.4288 k = 0.2283 0.2283 0.2283 ( 7880 PWs) bands (ev): -48.1031 -48.1031 -25.7029 -25.7029 -23.6132 -23.6132 -23.6132 -23.6132 -4.7439 -4.7439 -3.9574 -3.9574 -3.9415 -3.9407 -3.9280 -3.9280 1.9684 1.9808 1.9808 2.0502 2.6014 2.6014 2.8928 2.8928 3.4010 3.4010 3.4070 3.4793 3.5181 3.5181 3.5596 3.5919 3.7204 3.7204 3.8884 3.8884 3.9953 4.0499 4.0499 4.0834 4.3375 4.3375 4.3450 4.4113 4.4183 4.4183 4.4971 4.5516 4.5663 4.5663 4.6820 4.6820 5.0667 5.0667 5.0990 5.1340 5.1752 5.2137 5.2137 5.2533 5.2533 5.3383 5.4264 5.4264 6.0183 6.0183 6.3560 6.3560 6.4637 6.5012 8.2689 8.2689 8.4562 8.4562 8.4966 8.5545 8.8659 8.8659 9.0381 9.0559 10.3425 10.3425 11.4028 11.4346 k = 0.2391 0.2391 0.2391 ( 7886 PWs) bands (ev): -48.1031 -48.1031 -25.7029 -25.7029 -23.6132 -23.6132 -23.6132 -23.6132 -4.7123 -4.7123 -3.9691 -3.9691 -3.9534 -3.9527 -3.9387 -3.9387 1.9859 1.9972 1.9972 2.0727 2.6082 2.6082 2.8537 2.8537 3.3889 3.4007 3.4007 3.4813 3.5127 3.5127 3.5505 3.5922 3.7108 3.7108 3.8681 3.8681 3.9933 4.0458 4.0458 4.0783 4.3345 4.3345 4.3424 4.4141 4.4141 4.4148 4.5041 4.5531 4.5646 4.5646 4.6727 4.6727 5.0737 5.0737 5.1149 5.1450 5.1814 5.2110 5.2110 5.2572 5.2572 5.3446 5.3874 5.3874 6.0660 6.0660 6.3463 6.3463 6.4545 6.4924 8.2925 8.2925 8.4689 8.4689 8.5104 8.5742 8.8977 8.8977 9.0620 9.0810 10.3335 10.3335 11.4037 11.4362 k = 0.2500 0.2500 0.2500 ( 7904 PWs) bands (ev): -48.1032 -48.1032 -25.7030 -25.7030 -23.6132 -23.6132 -23.6132 -23.6132 -4.6801 -4.6801 -3.9808 -3.9808 -3.9653 -3.9645 -3.9492 -3.9492 2.0008 2.0108 2.0108 2.0921 2.6074 2.6074 2.8177 2.8177 3.3725 3.4009 3.4009 3.4827 3.5099 3.5099 3.5447 3.5941 3.7021 3.7021 3.8489 3.8489 3.9911 4.0416 4.0416 4.0726 4.3307 4.3307 4.3405 4.4112 4.4112 4.4179 4.5109 4.5552 4.5628 4.5628 4.6645 4.6645 5.0749 5.0749 5.1308 5.1561 5.1897 5.2060 5.2060 5.2614 5.2614 5.3525 5.3598 5.3598 6.1138 6.1138 6.3389 6.3389 6.4466 6.4851 8.3189 8.3189 8.4812 8.4812 8.5230 8.5922 8.9306 8.9306 9.0877 9.1072 10.3237 10.3237 11.3996 11.4334 k = 0.2609 0.2609 0.2609 ( 7868 PWs) bands (ev): -48.1030 -48.1030 -25.7030 -25.7030 -23.6133 -23.6133 -23.6133 -23.6133 -4.6474 -4.6474 -3.9923 -3.9923 -3.9770 -3.9762 -3.9597 -3.9597 2.0131 2.0214 2.0214 2.1081 2.5968 2.5968 2.7867 2.7867 3.3589 3.4021 3.4021 3.4835 3.5093 3.5093 3.5423 3.5972 3.6948 3.6948 3.8312 3.8312 3.9887 4.0375 4.0375 4.0662 4.3267 4.3267 4.3396 4.4097 4.4097 4.4210 4.5177 4.5580 4.5612 4.5612 4.6572 4.6572 5.0659 5.0659 5.1460 5.1655 5.2016 5.2029 5.2029 5.2668 5.2668 5.3430 5.3430 5.3618 6.1607 6.1607 6.3349 6.3349 6.4406 6.4797 8.3477 8.3477 8.4935 8.4935 8.5346 8.6084 8.9643 8.9643 9.1153 9.1345 10.3137 10.3137 11.3898 11.4257 k = 0.2717 0.2717 0.2717 ( 7862 PWs) bands (ev): -48.1030 -48.1030 -25.7030 -25.7030 -23.6133 -23.6133 -23.6133 -23.6133 -4.6144 -4.6144 -4.0037 -4.0037 -3.9885 -3.9877 -3.9699 -3.9699 2.0227 2.0288 2.0288 2.1205 2.5753 2.5753 2.7618 2.7618 3.3485 3.4046 3.4046 3.4841 3.5108 3.5108 3.5429 3.6011 3.6890 3.6890 3.8153 3.8153 3.9859 4.0331 4.0331 4.0593 4.3227 4.3227 4.3397 4.4088 4.4088 4.4246 4.5241 4.5596 4.5596 4.5610 4.6508 4.6508 5.0454 5.0454 5.1601 5.1723 5.2046 5.2046 5.2169 5.2738 5.2738 5.3341 5.3341 5.3725 6.2051 6.2051 6.3364 6.3364 6.4371 6.4768 8.3783 8.3783 8.5062 8.5062 8.5451 8.6229 8.9985 8.9985 9.1443 9.1624 10.3042 10.3042 11.3738 11.4126 k = 0.2826 0.2826 0.2826 ( 7871 PWs) bands (ev): -48.1030 -48.1030 -25.7030 -25.7030 -23.6134 -23.6133 -23.6133 -23.6133 -4.5811 -4.5811 -4.0148 -4.0148 -3.9997 -3.9990 -3.9798 -3.9798 2.0295 2.0331 2.0331 2.1291 2.5442 2.5442 2.7418 2.7418 3.3419 3.4087 3.4087 3.4850 3.5138 3.5138 3.5459 3.6054 3.6849 3.6849 3.8015 3.8015 3.9828 4.0284 4.0284 4.0517 4.3191 4.3191 4.3411 4.4085 4.4085 4.4287 4.5300 4.5579 4.5579 4.5640 4.6449 4.6449 5.0170 5.0170 5.1725 5.1772 5.2099 5.2099 5.2345 5.2829 5.2829 5.3299 5.3299 5.3842 6.2432 6.2432 6.3474 6.3474 6.4365 6.4769 8.4096 8.4096 8.5200 8.5200 8.5548 8.6357 9.0328 9.0328 9.1746 9.1906 10.2956 10.2956 11.3510 11.3932 k = 0.2935 0.2935 0.2935 ( 7856 PWs) bands (ev): -48.1030 -48.1030 -25.7030 -25.7030 -23.6134 -23.6134 -23.6134 -23.6134 -4.5479 -4.5479 -4.0256 -4.0256 -4.0107 -4.0099 -3.9895 -3.9895 2.0337 2.0343 2.0343 2.1338 2.5063 2.5063 2.7241 2.7241 3.3391 3.4145 3.4145 3.4869 3.5184 3.5184 3.5507 3.6101 3.6825 3.6825 3.7902 3.7902 3.9795 4.0235 4.0235 4.0438 4.3162 4.3162 4.3437 4.4087 4.4087 4.4336 4.5357 4.5562 4.5562 4.5669 4.6396 4.6396 4.9851 4.9851 5.1809 5.1832 5.2160 5.2160 5.2528 5.2940 5.2940 5.3285 5.3285 5.3965 6.2712 6.2712 6.3722 6.3722 6.4396 6.4808 8.4404 8.4404 8.5362 8.5362 8.5638 8.6472 9.0668 9.0668 9.2055 9.2187 10.2884 10.2884 11.3205 11.3668 k = 0.3043 0.3043 0.3043 ( 7853 PWs) bands (ev): -48.1030 -48.1030 -25.7031 -25.7031 -23.6134 -23.6134 -23.6134 -23.6134 -4.5147 -4.5147 -4.0362 -4.0362 -4.0213 -4.0206 -3.9989 -3.9989 2.0327 2.0327 2.0353 2.1348 2.4643 2.4643 2.7065 2.7065 3.3402 3.4220 3.4220 3.4898 3.5240 3.5240 3.5568 3.6149 3.6815 3.6815 3.7817 3.7817 3.9760 4.0182 4.0182 4.0355 4.3138 4.3138 4.3475 4.4091 4.4091 4.4393 4.5410 4.5543 4.5543 4.5697 4.6348 4.6348 4.9527 4.9527 5.1840 5.1921 5.2213 5.2213 5.2709 5.3059 5.3059 5.3291 5.3291 5.4088 6.2904 6.2904 6.4097 6.4097 6.4467 6.4888 8.4684 8.4684 8.5565 8.5565 8.5722 8.6574 9.1001 9.1001 9.2366 9.2462 10.2828 10.2828 11.2818 11.3326 k = 0.3152 0.3152 0.3152 ( 7859 PWs) bands (ev): -48.1030 -48.1030 -25.7031 -25.7031 -23.6135 -23.6135 -23.6135 -23.6135 -4.4819 -4.4819 -4.0463 -4.0463 -4.0315 -4.0308 -4.0080 -4.0080 2.0285 2.0285 2.0346 2.1325 2.4203 2.4203 2.6874 2.6874 3.3448 3.4310 3.4310 3.4939 3.5306 3.5306 3.5638 3.6197 3.6814 3.6814 3.7765 3.7765 3.9723 4.0126 4.0126 4.0270 4.3122 4.3122 4.3526 4.4097 4.4097 4.4459 4.5459 4.5524 4.5524 4.5722 4.6302 4.6302 4.9216 4.9216 5.1867 5.1993 5.2252 5.2252 5.2878 5.3151 5.3151 5.3334 5.3334 5.4201 6.3069 6.3069 6.4540 6.4540 6.4585 6.5016 8.4920 8.4920 8.5803 8.5826 8.5826 8.6667 9.1322 9.1322 9.2672 9.2724 10.2791 10.2791 11.2346 11.2901 k = 0.3261 0.3261 0.3261 ( 7856 PWs) bands (ev): -48.1030 -48.1030 -25.7031 -25.7031 -23.6135 -23.6135 -23.6135 -23.6135 -4.4495 -4.4495 -4.0561 -4.0561 -4.0414 -4.0407 -4.0166 -4.0166 2.0220 2.0220 2.0319 2.1270 2.3756 2.3756 2.6664 2.6664 3.3527 3.4415 3.4415 3.4991 3.5379 3.5379 3.5716 3.6245 3.6813 3.6813 3.7751 3.7751 3.9686 4.0067 4.0067 4.0184 4.3111 4.3111 4.3590 4.4105 4.4105 4.4532 4.5504 4.5504 4.5506 4.5745 4.6259 4.6259 4.8928 4.8928 5.1891 5.2049 5.2280 5.2280 5.3027 5.3187 5.3187 5.3427 5.3427 5.4299 6.3248 6.3248 6.4753 6.5012 6.5012 6.5195 8.5109 8.5109 8.5883 8.6144 8.6144 8.6752 9.1625 9.1625 9.2965 9.2970 10.2775 10.2775 11.1790 11.2392 k = 0.3370 0.3370 0.3370 ( 7856 PWs) bands (ev): -48.1030 -48.1030 -25.7031 -25.7031 -23.6135 -23.6135 -23.6135 -23.6135 -4.4177 -4.4177 -4.0654 -4.0654 -4.0508 -4.0501 -4.0249 -4.0249 2.0136 2.0136 2.0275 2.1189 2.3310 2.3310 2.6433 2.6433 3.3634 3.4530 3.4530 3.5053 3.5458 3.5458 3.5797 3.6291 3.6806 3.6806 3.7778 3.7778 3.9648 4.0006 4.0006 4.0097 4.3104 4.3104 4.3664 4.4115 4.4115 4.4613 4.5483 4.5483 4.5549 4.5765 4.6217 4.6217 4.8668 4.8668 5.1914 5.2094 5.2300 5.2300 5.3153 5.3191 5.3191 5.3534 5.3534 5.4375 6.3460 6.3460 6.4974 6.5427 6.5493 6.5493 8.5265 8.5265 8.5963 8.6502 8.6502 8.6833 9.1903 9.1903 9.3190 9.3239 10.2781 10.2781 11.1159 11.1803 k = 0.3478 0.3478 0.3478 ( 7850 PWs) bands (ev): -48.1029 -48.1029 -25.7031 -25.7031 -23.6135 -23.6135 -23.6135 -23.6135 -4.3867 -4.3867 -4.0743 -4.0743 -4.0597 -4.0591 -4.0328 -4.0328 2.0036 2.0036 2.0218 2.1087 2.2874 2.2874 2.6186 2.6186 3.3765 3.4653 3.4653 3.5122 3.5542 3.5542 3.5881 3.6335 3.6790 3.6790 3.7844 3.7844 3.9609 3.9944 3.9944 4.0011 4.3102 4.3102 4.3750 4.4126 4.4126 4.4699 4.5460 4.5460 4.5590 4.5781 4.6175 4.6175 4.8441 4.8441 5.1938 5.2128 5.2314 5.2314 5.3183 5.3183 5.3251 5.3627 5.3627 5.4425 6.3712 6.3712 6.5248 6.5712 6.5974 6.5974 8.5404 8.5404 8.6045 8.6882 8.6882 8.6910 9.2151 9.2151 9.3379 9.3484 10.2810 10.2810 11.0466 11.1147 k = 0.3587 0.3587 0.3587 ( 7856 PWs) bands (ev): -48.1030 -48.1030 -25.7032 -25.7032 -23.6136 -23.6136 -23.6136 -23.6136 -4.3567 -4.3567 -4.0826 -4.0826 -4.0681 -4.0676 -4.0402 -4.0402 1.9925 1.9925 2.0150 2.0969 2.2451 2.2451 2.5926 2.5926 3.3914 3.4781 3.4781 3.5197 3.5629 3.5629 3.5965 3.6375 3.6764 3.6764 3.7942 3.7942 3.9571 3.9881 3.9881 3.9927 4.3102 4.3102 4.3845 4.4137 4.4137 4.4789 4.5437 4.5437 4.5628 4.5795 4.6133 4.6133 4.8245 4.8245 5.1963 5.2154 5.2324 5.2324 5.3168 5.3168 5.3320 5.3697 5.3697 5.4444 6.4005 6.4005 6.5573 6.6047 6.6449 6.6449 8.5537 8.5537 8.6131 8.6988 8.7271 8.7271 9.2361 9.2361 9.3529 9.3690 10.2863 10.2863 10.9731 11.0439 k = 0.3696 0.3696 0.3696 ( 7862 PWs) bands (ev): -48.1030 -48.1030 -25.7032 -25.7032 -23.6136 -23.6136 -23.6136 -23.6136 -4.3280 -4.3280 -4.0905 -4.0905 -4.0760 -4.0755 -4.0473 -4.0473 1.9805 1.9805 2.0075 2.0838 2.2046 2.2046 2.5660 2.5660 3.4077 3.4910 3.4910 3.5275 3.5718 3.5718 3.6047 3.6411 3.6732 3.6732 3.8065 3.8065 3.9534 3.9817 3.9817 3.9846 4.3103 4.3103 4.3949 4.4149 4.4149 4.4882 4.5413 4.5413 4.5664 4.5806 4.6092 4.6092 4.8082 4.8082 5.1990 5.2175 5.2333 5.2333 5.3148 5.3148 5.3359 5.3741 5.3741 5.4434 6.4335 6.4335 6.5945 6.6426 6.6915 6.6915 8.5671 8.5671 8.6224 8.7067 8.7659 8.7659 9.2524 9.2524 9.3631 9.3846 10.2941 10.2941 10.8978 10.9701 k = 0.3804 0.3804 0.3804 ( 7859 PWs) bands (ev): -48.1030 -48.1030 -25.7032 -25.7032 -23.6136 -23.6136 -23.6136 -23.6136 -4.3005 -4.3005 -4.0977 -4.0977 -4.0834 -4.0829 -4.0538 -4.0538 1.9680 1.9680 1.9996 2.0701 2.1663 2.1663 2.5393 2.5393 3.4250 3.5038 3.5038 3.5355 3.5807 3.5807 3.6124 3.6442 3.6698 3.6698 3.8203 3.8203 3.9499 3.9754 3.9754 3.9768 4.3104 4.3104 4.4061 4.4160 4.4160 4.4975 4.5389 4.5389 4.5698 4.5814 4.6054 4.6054 4.7950 4.7950 5.2021 5.2193 5.2343 5.2343 5.3124 5.3124 5.3371 5.3758 5.3758 5.4395 6.4695 6.4695 6.6358 6.6842 6.7367 6.7367 8.5810 8.5810 8.6325 8.7150 8.8037 8.8037 9.2635 9.2635 9.3679 9.3942 10.3044 10.3044 10.8232 10.8957 k = 0.3913 0.3913 0.3913 ( 7862 PWs) bands (ev): -48.1030 -48.1030 -25.7032 -25.7032 -23.6137 -23.6137 -23.6137 -23.6137 -4.2746 -4.2746 -4.1044 -4.1044 -4.0901 -4.0897 -4.0600 -4.0600 1.9552 1.9552 1.9917 2.0560 2.1306 2.1306 2.5130 2.5130 3.4427 3.5161 3.5161 3.5435 3.5896 3.5896 3.6195 3.6468 3.6663 3.6663 3.8350 3.8350 3.9466 3.9693 3.9693 3.9695 4.3104 4.3104 4.4171 4.4171 4.4178 4.5067 4.5366 4.5366 4.5729 4.5819 4.6017 4.6017 4.7845 4.7845 5.2058 5.2208 5.2353 5.2353 5.3098 5.3098 5.3357 5.3751 5.3751 5.4329 6.5076 6.5076 6.6804 6.7286 6.7803 6.7803 8.5961 8.5961 8.6438 8.7240 8.8398 8.8398 9.2684 9.2684 9.3665 9.3967 10.3171 10.3171 10.7519 10.8231 k = 0.4022 0.4022 0.4022 ( 7859 PWs) bands (ev): -48.1030 -48.1030 -25.7032 -25.7032 -23.6137 -23.6137 -23.6137 -23.6137 -4.2504 -4.2504 -4.1105 -4.1105 -4.0963 -4.0959 -4.0657 -4.0657 1.9425 1.9425 1.9840 2.0420 2.0977 2.0977 2.4877 2.4877 3.4606 3.5278 3.5278 3.5514 3.5983 3.5983 3.6258 3.6488 3.6629 3.6629 3.8498 3.8498 3.9435 3.9627 3.9634 3.9634 4.3102 4.3102 4.4180 4.4180 4.4300 4.5154 4.5344 4.5344 4.5758 4.5821 4.5985 4.5985 4.7765 4.7765 5.2100 5.2224 5.2365 5.2365 5.3070 5.3070 5.3322 5.3722 5.3722 5.4240 6.5468 6.5468 6.7273 6.7747 6.8220 6.8220 8.6125 8.6125 8.6566 8.7339 8.8735 8.8735 9.2668 9.2668 9.3585 9.3910 10.3323 10.3323 10.6864 10.7543 k = 0.4130 0.4130 0.4130 ( 7865 PWs) bands (ev): -48.1030 -48.1030 -25.7033 -25.7033 -23.6137 -23.6137 -23.6137 -23.6137 -4.2281 -4.2281 -4.1159 -4.1159 -4.1019 -4.1015 -4.0710 -4.0710 1.9300 1.9300 1.9768 2.0284 2.0679 2.0679 2.4639 2.4639 3.4783 3.5386 3.5386 3.5591 3.6067 3.6067 3.6310 3.6501 3.6599 3.6599 3.8643 3.8643 3.9406 3.9564 3.9577 3.9577 4.3099 4.3099 4.4188 4.4188 4.4424 4.5233 4.5325 4.5325 4.5785 4.5822 4.5957 4.5957 4.7705 4.7705 5.2149 5.2241 5.2381 5.2381 5.3042 5.3042 5.3270 5.3675 5.3675 5.4131 6.5859 6.5859 6.7753 6.8211 6.8614 6.8614 8.6308 8.6308 8.6710 8.7448 8.9041 8.9041 9.2585 9.2585 9.3437 9.3768 10.3496 10.3496 10.6287 10.6913 k = 0.4239 0.4239 0.4239 ( 7865 PWs) bands (ev): -48.1030 -48.1030 -25.7033 -25.7033 -23.6137 -23.6137 -23.6137 -23.6137 -4.2079 -4.2079 -4.1207 -4.1207 -4.1068 -4.1065 -4.0759 -4.0759 1.9180 1.9180 1.9703 2.0154 2.0416 2.0416 2.4420 2.4420 3.4956 3.5484 3.5484 3.5663 3.6145 3.6145 3.6351 3.6508 3.6571 3.6571 3.8781 3.8781 3.9381 3.9508 3.9525 3.9525 4.3093 4.3093 4.4193 4.4193 4.4549 4.5303 4.5310 4.5310 4.5809 4.5822 4.5933 4.5933 4.7662 4.7662 5.2206 5.2260 5.2399 5.2399 5.3016 5.3016 5.3205 5.3614 5.3614 5.4007 6.6237 6.6237 6.8232 6.8665 6.8983 6.8983 8.6511 8.6511 8.6874 8.7571 8.9306 8.9306 9.2439 9.2439 9.3224 9.3540 10.3687 10.3687 10.5801 10.6356 k = 0.4348 0.4348 0.4348 ( 7859 PWs) bands (ev): -48.1030 -48.1030 -25.7033 -25.7033 -23.6137 -23.6137 -23.6137 -23.6137 -4.1898 -4.1898 -4.1247 -4.1247 -4.1112 -4.1109 -4.0805 -4.0805 1.9067 1.9067 1.9646 2.0033 2.0188 2.0188 2.4223 2.4223 3.5121 3.5572 3.5572 3.5729 3.6217 3.6217 3.6381 3.6509 3.6547 3.6547 3.8907 3.8907 3.9359 3.9459 3.9477 3.9477 4.3086 4.3086 4.4198 4.4198 4.4672 4.5298 4.5298 4.5358 4.5822 4.5830 4.5914 4.5914 4.7632 4.7632 5.2271 5.2283 5.2420 5.2420 5.2994 5.2994 5.3131 5.3542 5.3542 5.3871 6.6591 6.6591 6.8696 6.9095 6.9320 6.9320 8.6739 8.6739 8.7061 8.7706 8.9518 8.9518 9.2241 9.2241 9.2954 9.3237 10.3890 10.3890 10.5413 10.5880 k = 0.4457 0.4457 0.4457 ( 7850 PWs) bands (ev): -48.1029 -48.1029 -25.7033 -25.7033 -23.6138 -23.6138 -23.6138 -23.6138 -4.1741 -4.1741 -4.1278 -4.1278 -4.1148 -4.1146 -4.0848 -4.0848 1.8964 1.8964 1.9601 1.9922 1.9996 1.9996 2.4051 2.4051 3.5277 3.5647 3.5647 3.5788 3.6280 3.6280 3.6400 3.6504 3.6527 3.6527 3.9018 3.9018 3.9340 3.9417 3.9434 3.9434 4.3078 4.3078 4.4200 4.4200 4.4792 4.5289 4.5289 4.5396 4.5825 4.5847 4.5900 4.5900 4.7613 4.7613 5.2311 5.2344 5.2443 5.2443 5.2977 5.2977 5.3055 5.3464 5.3464 5.3728 6.6908 6.6908 6.9131 6.9485 6.9622 6.9622 8.6992 8.6992 8.7269 8.7853 8.9660 8.9660 9.2016 9.2016 9.2642 9.2875 10.4096 10.4096 10.5121 10.5488 k = 0.4565 0.4565 0.4565 ( 7853 PWs) bands (ev): -48.1029 -48.1029 -25.7033 -25.7033 -23.6138 -23.6138 -23.6138 -23.6138 -4.1612 -4.1612 -4.1298 -4.1298 -4.1178 -4.1176 -4.0888 -4.0888 1.8873 1.8873 1.9568 1.9824 1.9842 1.9842 2.3907 2.3907 3.5420 3.5709 3.5709 3.5835 3.6333 3.6333 3.6409 3.6493 3.6511 3.6511 3.9113 3.9113 3.9326 3.9382 3.9398 3.9398 4.3070 4.3070 4.4202 4.4202 4.4907 4.5283 4.5283 4.5413 4.5832 4.5861 4.5889 4.5889 4.7600 4.7600 5.2345 5.2421 5.2467 5.2467 5.2970 5.2970 5.2983 5.3383 5.3383 5.3580 6.7180 6.7180 6.9521 6.9821 6.9882 6.9882 8.7271 8.7271 8.7497 8.8005 8.9711 8.9711 9.1796 9.1796 9.2309 9.2483 10.4294 10.4294 10.4918 10.5181 k = 0.4674 0.4674 0.4674 ( 7850 PWs) bands (ev): -48.1029 -48.1029 -25.7033 -25.7033 -23.6138 -23.6138 -23.6138 -23.6138 -4.1517 -4.1517 -4.1301 -4.1301 -4.1202 -4.1200 -4.0926 -4.0926 1.8797 1.8797 1.9547 1.9724 1.9724 1.9740 2.3794 2.3794 3.5549 3.5758 3.5758 3.5866 3.6375 3.6375 3.6412 3.6479 3.6500 3.6500 3.9190 3.9190 3.9315 3.9355 3.9368 3.9368 4.3062 4.3062 4.4202 4.4202 4.5014 4.5279 4.5279 4.5407 4.5842 4.5871 4.5881 4.5881 4.7593 4.7593 5.2384 5.2489 5.2489 5.2495 5.2925 5.2973 5.2973 5.3303 5.3303 5.3432 6.7400 6.7400 6.9854 7.0089 7.0094 7.0094 8.7571 8.7571 8.7736 8.8152 8.9653 8.9653 9.1619 9.1619 9.1983 9.2095 10.4465 10.4465 10.4795 10.4957 k = 0.4783 0.4783 0.4783 ( 7844 PWs) bands (ev): -48.1029 -48.1029 -25.7033 -25.7033 -23.6138 -23.6138 -23.6138 -23.6138 -4.1464 -4.1464 -4.1279 -4.1279 -4.1218 -4.1217 -4.0960 -4.0960 1.8741 1.8741 1.9542 1.9640 1.9640 1.9670 2.3711 2.3711 3.5661 3.5793 3.5793 3.5877 3.6405 3.6405 3.6414 3.6462 3.6492 3.6492 3.9247 3.9247 3.9309 3.9334 3.9345 3.9345 4.3056 4.3056 4.4202 4.4202 4.5112 4.5277 4.5277 4.5381 4.5854 4.5876 4.5877 4.5877 4.7589 4.7589 5.2428 5.2507 5.2507 5.2547 5.2902 5.2988 5.2988 5.3228 5.3228 5.3288 6.7560 6.7560 7.0114 7.0251 7.0251 7.0276 8.7881 8.7881 8.7970 8.8271 8.9491 8.9491 9.1505 9.1505 9.1699 9.1758 10.4585 10.4585 10.4741 10.4821 k = 0.4891 0.4891 0.4891 ( 7784 PWs) bands (ev): -48.1027 -48.1027 -25.7033 -25.7033 -23.6138 -23.6138 -23.6138 -23.6138 -4.1445 -4.1445 -4.1247 -4.1247 -4.1228 -4.1228 -4.0988 -4.0988 1.8706 1.8706 1.9551 1.9591 1.9591 1.9615 2.3662 2.3662 3.5754 3.5815 3.5815 3.5864 3.6419 3.6424 3.6424 3.6445 3.6489 3.6489 3.9286 3.9286 3.9308 3.9320 3.9328 3.9328 4.3052 4.3052 4.4203 4.4203 4.5201 4.5277 4.5277 4.5337 4.5866 4.5875 4.5875 4.5878 4.7588 4.7588 5.2477 5.2519 5.2519 5.2554 5.2940 5.3014 5.3014 5.3152 5.3166 5.3166 6.7659 6.7659 7.0293 7.0349 7.0349 7.0376 8.8162 8.8162 8.8169 8.8330 8.9281 8.9281 9.1449 9.1449 9.1501 9.1523 10.4611 10.4611 10.4747 10.4795 k = 0.5000 0.5000 0.5000 ( 7784 PWs) bands (ev): -48.1027 -48.1027 -25.7033 -25.7033 -23.6138 -23.6138 -23.6138 -23.6138 -4.1441 -4.1441 -4.1231 -4.1231 -4.1231 -4.1231 -4.0999 -4.0999 1.8694 1.8694 1.9575 1.9575 1.9575 1.9575 2.3645 2.3645 3.5822 3.5822 3.5822 3.5822 3.6430 3.6430 3.6430 3.6430 3.6488 3.6488 3.9310 3.9310 3.9311 3.9311 3.9311 3.9311 4.3051 4.3051 4.4203 4.4203 4.5276 4.5276 4.5276 4.5276 4.5874 4.5874 4.5874 4.5874 4.7587 4.7587 5.2523 5.2523 5.2523 5.2523 5.3031 5.3031 5.3031 5.3031 5.3136 5.3136 6.7691 6.7691 7.0381 7.0381 7.0381 7.0381 8.8298 8.8298 8.8298 8.8298 8.9165 8.9165 9.1433 9.1433 9.1433 9.1433 10.4601 10.4601 10.4807 10.4807 k = 0.5000 0.5000 0.5000 ( 7784 PWs) bands (ev): -48.1027 -48.1027 -25.7033 -25.7033 -23.6138 -23.6138 -23.6138 -23.6138 -4.1441 -4.1441 -4.1231 -4.1231 -4.1231 -4.1231 -4.0999 -4.0999 1.8694 1.8694 1.9575 1.9575 1.9575 1.9575 2.3645 2.3645 3.5822 3.5822 3.5822 3.5822 3.6430 3.6430 3.6430 3.6430 3.6488 3.6488 3.9310 3.9310 3.9311 3.9311 3.9311 3.9311 4.3051 4.3051 4.4203 4.4203 4.5276 4.5276 4.5276 4.5276 4.5874 4.5874 4.5874 4.5874 4.7587 4.7587 5.2523 5.2523 5.2523 5.2523 5.3031 5.3031 5.3031 5.3031 5.3136 5.3136 6.7691 6.7691 7.0381 7.0381 7.0381 7.0381 8.8298 8.8298 8.8298 8.8298 8.9165 8.9165 9.1433 9.1433 9.1433 9.1433 10.4601 10.4601 10.4807 10.4807 k = 0.4868 0.5000 0.4868 ( 7784 PWs) bands (ev): -48.1027 -48.1027 -25.7033 -25.7033 -23.6138 -23.6138 -23.6138 -23.6138 -4.1445 -4.1444 -4.1247 -4.1245 -4.1229 -4.1228 -4.0988 -4.0987 1.8706 1.8706 1.9552 1.9582 1.9598 1.9614 2.3661 2.3661 3.5757 3.5801 3.5829 3.5862 3.6418 3.6424 3.6426 3.6445 3.6487 3.6492 3.9282 3.9295 3.9307 3.9314 3.9327 3.9331 4.3052 4.3052 4.4203 4.4203 4.5205 4.5259 4.5294 4.5335 4.5866 4.5873 4.5876 4.5878 4.7588 4.7588 5.2478 5.2509 5.2527 5.2555 5.2943 5.2991 5.3041 5.3140 5.3163 5.3175 6.7659 6.7659 7.0296 7.0339 7.0357 7.0378 8.8115 8.8175 8.8205 8.8337 8.9278 8.9278 9.1447 9.1455 9.1498 9.1518 10.4609 10.4615 10.4748 10.4779 k = 0.4737 0.5000 0.4737 ( 7840 PWs) bands (ev): -48.1029 -48.1029 -25.7033 -25.7033 -23.6138 -23.6138 -23.6138 -23.6138 -4.1463 -4.1458 -4.1284 -4.1273 -4.1222 -4.1219 -4.0963 -4.0958 1.8740 1.8740 1.9546 1.9620 1.9653 1.9669 2.3710 2.3710 3.5669 3.5766 3.5819 3.5875 3.6394 3.6404 3.6428 3.6462 3.6476 3.6507 3.9235 3.9283 3.9300 3.9308 3.9345 3.9357 4.3055 4.3056 4.4202 4.4203 4.5121 4.5240 4.5309 4.5379 4.5855 4.5872 4.5876 4.5880 4.7589 4.7589 5.2427 5.2490 5.2504 5.2576 5.2897 5.2949 5.3040 5.3217 5.3222 5.3289 6.7562 6.7564 7.0120 7.0236 7.0250 7.0303 8.7775 8.7886 8.8053 8.8312 8.9484 8.9497 9.1484 9.1517 9.1695 9.1743 10.4569 10.4636 10.4747 10.4796 k = 0.4605 0.5000 0.4605 ( 7860 PWs) bands (ev): -48.1030 -48.1030 -25.7033 -25.7033 -23.6138 -23.6138 -23.6138 -23.6138 -4.1509 -4.1493 -4.1326 -4.1295 -4.1209 -4.1202 -4.0930 -4.0920 1.8795 1.8797 1.9557 1.9688 1.9735 1.9743 2.3789 2.3792 3.5563 3.5719 3.5795 3.5864 3.6345 3.6389 3.6439 3.6456 3.6479 3.6532 3.9168 3.9268 3.9276 3.9313 3.9371 3.9389 4.3061 4.3062 4.4201 4.4203 4.5027 4.5223 4.5322 4.5411 4.5843 4.5871 4.5873 4.5886 4.7591 4.7593 5.2375 5.2443 5.2465 5.2592 5.2878 5.2941 5.3052 5.3284 5.3303 5.3425 6.7402 6.7407 6.9860 7.0055 7.0078 7.0172 8.7396 8.7554 8.7862 8.8232 8.9666 8.9723 9.1533 9.1617 9.1988 9.2073 10.4455 10.4604 10.4782 10.4869 k = 0.4474 0.5000 0.4474 ( 7866 PWs) bands (ev): -48.1030 -48.1030 -25.7033 -25.7033 -23.6138 -23.6138 -23.6138 -23.6138 -4.1585 -4.1561 -4.1360 -4.1308 -4.1187 -4.1175 -4.0894 -4.0876 1.8869 1.8872 1.9586 1.9786 1.9827 1.9856 2.3900 2.3904 3.5439 3.5662 3.5755 3.5833 3.6280 3.6367 3.6428 3.6457 3.6492 3.6564 3.9082 3.9217 3.9274 3.9323 3.9405 3.9428 4.3069 4.3070 4.4200 4.4203 4.4926 4.5206 4.5330 4.5431 4.5833 4.5864 4.5874 4.5893 4.7596 4.7601 5.2327 5.2362 5.2436 5.2599 5.2859 5.2983 5.3081 5.3356 5.3388 5.3565 6.7180 6.7192 6.9527 6.9780 6.9871 6.9992 8.7020 8.7221 8.7644 8.8108 8.9798 8.9928 9.1581 9.1746 9.2333 9.2459 10.4320 10.4525 10.4860 10.4997 k = 0.4342 0.5000 0.4342 ( 7870 PWs) bands (ev): -48.1030 -48.1030 -25.7033 -25.7033 -23.6138 -23.6138 -23.6137 -23.6137 -4.1686 -4.1658 -4.1390 -4.1323 -4.1153 -4.1136 -4.0852 -4.0826 1.8959 1.8963 1.9635 1.9914 1.9934 2.0003 2.4039 2.4048 3.5302 3.5596 3.5702 3.5787 3.6202 3.6328 3.6405 3.6478 3.6499 3.6600 3.8976 3.9147 3.9278 3.9337 3.9447 3.9475 4.3078 4.3080 4.4198 4.4203 4.4819 4.5190 4.5326 4.5446 4.5827 4.5854 4.5875 4.5903 4.7603 4.7613 5.2277 5.2282 5.2403 5.2592 5.2854 5.3052 5.3122 5.3428 5.3478 5.3704 6.6901 6.6923 6.9135 6.9437 6.9621 6.9768 8.6664 8.6906 8.7409 8.7951 8.9875 9.0102 9.1621 9.1891 9.2690 9.2855 10.4191 10.4442 10.4988 10.5175 k = 0.4211 0.5000 0.4211 ( 7872 PWs) bands (ev): -48.1030 -48.1030 -25.7033 -25.7033 -23.6138 -23.6138 -23.6137 -23.6137 -4.1804 -4.1775 -4.1425 -4.1347 -4.1105 -4.1085 -4.0804 -4.0771 1.9062 1.9063 1.9706 2.0058 2.0071 2.0181 2.4205 2.4220 3.5151 3.5520 3.5637 3.5729 3.6112 3.6270 3.6384 3.6500 3.6500 3.6640 3.8852 3.9059 3.9288 3.9356 3.9494 3.9529 4.3087 4.3089 4.4194 4.4202 4.4708 4.5175 4.5308 4.5462 4.5825 4.5844 4.5875 4.5915 4.7614 4.7632 5.2196 5.2243 5.2367 5.2569 5.2862 5.3139 5.3171 5.3495 5.3567 5.3841 6.6571 6.6605 6.8698 6.9040 6.9334 6.9505 8.6335 8.6614 8.7166 8.7772 8.9893 9.0228 9.1649 9.2037 9.3029 9.3223 10.4092 10.4381 10.5171 10.5400 k = 0.4079 0.5000 0.4079 ( 7876 PWs) bands (ev): -48.1030 -48.1030 -25.7033 -25.7033 -23.6138 -23.6138 -23.6137 -23.6137 -4.1937 -4.1907 -4.1469 -4.1384 -4.1044 -4.1023 -4.0747 -4.0708 1.9167 1.9176 1.9803 2.0199 2.0257 2.0387 2.4395 2.4420 3.4988 3.5436 3.5563 3.5663 3.6014 3.6196 3.6360 3.6496 3.6524 3.6683 3.8708 3.8954 3.9306 3.9379 3.9548 3.9590 4.3094 4.3097 4.4188 4.4198 4.4599 4.5162 4.5275 4.5482 4.5826 4.5834 4.5874 4.5930 4.7631 4.7659 5.2123 5.2209 5.2330 5.2535 5.2876 5.3223 5.3238 5.3555 5.3651 5.3977 6.6200 6.6247 6.8231 6.8602 6.9015 6.9208 8.6035 8.6349 8.6923 8.7580 8.9848 9.0286 9.1668 9.2170 9.3328 9.3536 10.4038 10.4364 10.5414 10.5674 k = 0.3947 0.5000 0.3947 ( 7876 PWs) bands (ev): -48.1030 -48.1030 -25.7033 -25.7033 -23.6138 -23.6138 -23.6137 -23.6137 -4.2082 -4.2053 -4.1523 -4.1434 -4.0972 -4.0949 -4.0681 -4.0637 1.9268 1.9298 1.9929 2.0359 2.0471 2.0620 2.4607 2.4644 3.4814 3.5344 3.5479 3.5589 3.5911 3.6111 3.6330 3.6486 3.6550 3.6728 3.8545 3.8833 3.9331 3.9408 3.9607 3.9659 4.3099 4.3101 4.4180 4.4188 4.4496 4.5150 4.5232 4.5506 4.5825 4.5831 4.5874 4.5947 4.7654 4.7696 5.2057 5.2180 5.2292 5.2494 5.2887 5.3274 5.3343 5.3608 5.3724 5.4114 6.5800 6.5858 6.7749 6.8136 6.8669 6.8880 8.5764 8.6110 8.6684 8.7382 8.9737 9.0258 9.1680 9.2275 9.3572 9.3779 10.4042 10.4405 10.5723 10.6000 k = 0.3816 0.5000 0.3816 ( 7872 PWs) bands (ev): -48.1030 -48.1030 -25.7032 -25.7032 -23.6137 -23.6137 -23.6136 -23.6136 -4.2238 -4.2210 -4.1589 -4.1497 -4.0890 -4.0866 -4.0605 -4.0558 1.9365 1.9425 2.0083 2.0536 2.0711 2.0879 2.4838 2.4890 3.4630 3.5245 3.5387 3.5510 3.5805 3.6016 3.6293 3.6471 3.6578 3.6775 3.8366 3.8697 3.9365 3.9443 3.9671 3.9733 4.3099 4.3100 4.4164 4.4169 4.4411 4.5140 4.5185 4.5532 4.5819 4.5835 4.5876 4.5969 4.7686 4.7746 5.2001 5.2155 5.2254 5.2449 5.2890 5.3320 5.3435 5.3667 5.3778 5.4254 6.5382 6.5449 6.7264 6.7655 6.8298 6.8525 8.5521 8.5897 8.6453 8.7185 8.9558 9.0134 9.1680 9.2342 9.3753 9.3944 10.4111 10.4512 10.6099 10.6381 k = 0.3684 0.5000 0.3684 ( 7864 PWs) bands (ev): -48.1030 -48.1030 -25.7032 -25.7032 -23.6137 -23.6137 -23.6136 -23.6136 -4.2403 -4.2376 -4.1665 -4.1572 -4.0798 -4.0773 -4.0521 -4.0472 1.9455 1.9554 2.0262 2.0729 2.0976 2.1161 2.5084 2.5153 3.4437 3.5138 3.5287 3.5427 3.5699 3.5912 3.6249 3.6452 3.6609 3.6824 3.8171 3.8549 3.9407 3.9486 3.9739 3.9815 4.3092 4.3095 4.4116 4.4154 4.4356 4.5131 4.5140 4.5559 4.5815 4.5837 4.5884 4.5997 4.7729 4.7811 5.1951 5.2130 5.2217 5.2401 5.2881 5.3357 5.3483 5.3758 5.3805 5.4399 6.4960 6.5030 6.6786 6.7168 6.7905 6.8143 8.5303 8.5708 8.6235 8.6992 8.9312 8.9920 9.1657 9.2361 9.3870 9.4029 10.4249 10.4690 10.6543 10.6819 k = 0.3553 0.5000 0.3553 ( 7874 PWs) bands (ev): -48.1030 -48.1030 -25.7032 -25.7032 -23.6137 -23.6137 -23.6136 -23.6136 -4.2576 -4.2551 -4.1751 -4.1657 -4.0698 -4.0671 -4.0428 -4.0377 1.9540 1.9685 2.0463 2.0938 2.1263 2.1463 2.5341 2.5430 3.4236 3.5024 3.5178 3.5341 3.5598 3.5803 3.6198 3.6429 3.6641 3.6873 3.7962 3.8392 3.9458 3.9535 3.9811 3.9901 4.3074 4.3083 4.4046 4.4135 4.4330 4.5101 4.5123 4.5585 4.5813 4.5833 4.5900 4.6031 4.7783 4.7892 5.1907 5.2103 5.2183 5.2351 5.2858 5.3382 5.3476 5.3802 5.3889 5.4550 6.4545 6.4612 6.6324 6.6684 6.7493 6.7739 8.5110 8.5543 8.6032 8.6808 8.9004 8.9625 9.1597 9.2327 9.3924 9.4039 10.4455 10.4937 10.7055 10.7315 k = 0.3421 0.5000 0.3421 ( 7878 PWs) bands (ev): -48.1031 -48.1031 -25.7032 -25.7032 -23.6137 -23.6137 -23.6135 -23.6135 -4.2757 -4.2733 -4.1845 -4.1752 -4.0589 -4.0562 -4.0328 -4.0275 1.9621 1.9815 2.0682 2.1161 2.1570 2.1782 2.5604 2.5715 3.4028 3.4904 3.5060 3.5254 3.5503 3.5690 3.6140 3.6403 3.6677 3.6923 3.7745 3.8230 3.9518 3.9593 3.9886 3.9994 4.3045 4.3063 4.3971 4.4113 4.4322 4.5072 4.5116 4.5608 4.5814 4.5825 4.5926 4.6073 4.7850 4.7991 5.1866 5.2069 5.2152 5.2299 5.2817 5.3395 5.3426 5.3766 5.4042 5.4708 6.4147 6.4204 6.5885 6.6209 6.7068 6.7316 8.4940 8.5399 8.5847 8.6634 8.8640 8.9263 9.1491 9.2237 9.3921 9.3981 10.4723 10.5249 10.7627 10.7867 k = 0.3289 0.5000 0.3289 ( 7872 PWs) bands (ev): -48.1030 -48.1030 -25.7032 -25.7032 -23.6137 -23.6137 -23.6135 -23.6135 -4.2943 -4.2921 -4.1948 -4.1855 -4.0474 -4.0445 -4.0220 -4.0167 1.9696 1.9943 2.0916 2.1396 2.1892 2.2114 2.5869 2.6005 3.3814 3.4779 3.4932 3.5166 3.5417 3.5576 3.6076 3.6372 3.6715 3.6971 3.7526 3.8067 3.9586 3.9659 3.9965 4.0093 4.3005 4.3035 4.3899 4.4086 4.4321 4.5056 4.5110 4.5628 4.5815 4.5815 4.5960 4.6126 4.7932 4.8109 5.1825 5.2027 5.2125 5.2248 5.2758 5.3345 5.3393 5.3699 5.4208 5.4869 6.3775 6.3810 6.5473 6.5747 6.6633 6.6881 8.4791 8.5275 8.5680 8.6473 8.8228 8.8847 9.1334 9.2093 9.3864 9.3864 10.5049 10.5617 10.8253 10.8471 k = 0.3158 0.5000 0.3158 ( 7874 PWs) bands (ev): -48.1030 -48.1030 -25.7032 -25.7032 -23.6137 -23.6137 -23.6135 -23.6135 -4.3134 -4.3113 -4.2056 -4.1964 -4.0352 -4.0322 -4.0107 -4.0053 1.9768 2.0066 2.1161 2.1641 2.2227 2.2455 2.6132 2.6294 3.3597 3.4652 3.4793 3.5079 3.5340 3.5464 3.6001 3.6333 3.6755 3.7004 3.7324 3.7912 3.9663 3.9733 4.0047 4.0197 4.2954 4.2999 4.3836 4.4056 4.4323 4.5054 4.5104 4.5643 4.5802 4.5817 4.6005 4.6190 4.8030 4.8248 5.1780 5.1976 5.2094 5.2196 5.2676 5.3241 5.3374 5.3606 5.4380 5.5033 6.3433 6.3433 6.5090 6.5295 6.6197 6.6443 8.4662 8.5171 8.5534 8.6327 8.7776 8.8388 9.1127 9.1897 9.3698 9.3762 10.5424 10.6034 10.8924 10.9121 k = 0.3026 0.5000 0.3026 ( 7886 PWs) bands (ev): -48.1031 -48.1031 -25.7032 -25.7032 -23.6137 -23.6137 -23.6134 -23.6134 -4.3328 -4.3309 -4.2170 -4.2080 -4.0224 -4.0193 -3.9987 -3.9933 1.9833 2.0184 2.1414 2.1894 2.2571 2.2802 2.6389 2.6577 3.3378 3.4524 3.4644 3.4991 3.5273 3.5355 3.5915 3.6275 3.6798 3.6971 3.7207 3.7771 3.9748 3.9816 4.0132 4.0308 4.2894 4.2954 4.3783 4.4023 4.4324 4.5064 4.5099 4.5654 4.5787 4.5819 4.6060 4.6266 4.8144 4.8406 5.1728 5.1916 5.2057 5.2139 5.2573 5.3124 5.3338 5.3493 5.4558 5.5198 6.3068 6.3124 6.4737 6.4846 6.5771 6.6019 8.4553 8.5086 8.5409 8.6195 8.7294 8.7896 9.0872 9.1655 9.3492 9.3620 10.5839 10.6487 10.9628 10.9810 k = 0.2895 0.5000 0.2895 ( 7886 PWs) bands (ev): -48.1031 -48.1031 -25.7031 -25.7031 -23.6137 -23.6137 -23.6134 -23.6134 -4.3523 -4.3506 -4.2288 -4.2200 -4.0091 -4.0059 -3.9863 -3.9810 1.9893 2.0293 2.1673 2.2153 2.2919 2.3151 2.6636 2.6849 3.3160 3.4397 3.4487 3.4902 3.5213 3.5249 3.5813 3.6183 3.6843 3.6853 3.7214 3.7653 3.9842 3.9907 4.0220 4.0426 4.2828 4.2904 4.3740 4.3989 4.4325 4.5087 4.5093 4.5661 4.5770 4.5821 4.6125 4.6355 4.8275 4.8585 5.1668 5.1840 5.2012 5.2065 5.2461 5.3002 5.3285 5.3372 5.4738 5.5363 6.2707 6.2848 6.4387 6.4413 6.5369 6.5627 8.4463 8.5019 8.5303 8.6073 8.6796 8.7383 9.0574 9.1373 9.3255 9.3446 10.6285 10.6967 11.0353 11.0528 k = 0.2763 0.5000 0.2763 ( 7884 PWs) bands (ev): -48.1031 -48.1031 -25.7031 -25.7031 -23.6136 -23.6136 -23.6133 -23.6133 -4.3720 -4.3704 -4.2409 -4.2323 -3.9955 -3.9920 -3.9734 -3.9682 1.9945 2.0392 2.1936 2.2413 2.3269 2.3498 2.6870 2.7107 3.2947 3.4271 3.4323 3.4814 3.5146 3.5159 3.5695 3.6041 3.6759 3.6891 3.7262 3.7566 3.9943 4.0005 4.0311 4.0551 4.2761 4.2849 4.3705 4.3956 4.4324 4.5087 4.5120 4.5666 4.5750 4.5822 4.6201 4.6456 4.8419 4.8781 5.1602 5.1741 5.1945 5.1964 5.2364 5.2882 5.3204 5.3265 5.4920 5.5526 6.2337 6.2603 6.3903 6.4117 6.5007 6.5287 8.4391 8.4968 8.5214 8.5927 8.6323 8.6860 9.0241 9.1057 9.2994 9.3244 10.6752 10.7464 11.1086 11.1265 k = 0.2632 0.5000 0.2632 ( 7892 PWs) bands (ev): -48.1031 -48.1031 -25.7031 -25.7031 -23.6136 -23.6136 -23.6133 -23.6133 -4.3916 -4.3902 -4.2533 -4.2449 -3.9815 -3.9779 -3.9603 -3.9552 1.9989 2.0479 2.2201 2.2674 2.3615 2.3839 2.7089 2.7348 3.2742 3.4147 3.4155 3.4725 3.5039 3.5104 3.5565 3.5859 3.6718 3.6941 3.7319 3.7512 4.0052 4.0111 4.0406 4.0684 4.2696 4.2792 4.3677 4.3924 4.4320 4.5080 4.5159 4.5668 4.5729 4.5824 4.6286 4.6568 4.8576 4.8994 5.1534 5.1609 5.1765 5.1921 5.2303 5.2767 5.3080 5.3198 5.5103 5.5686 6.1944 6.2385 6.3389 6.3848 6.4701 6.5012 8.4338 8.4933 8.5128 8.5593 8.6047 8.6349 8.9877 9.0715 9.2716 9.3021 10.7232 10.7967 11.1812 11.2009 k = 0.2500 0.5000 0.2500 ( 7884 PWs) bands (ev): -48.1031 -48.1031 -25.7031 -25.7031 -23.6136 -23.6136 -23.6132 -23.6132 -4.4110 -4.4097 -4.2656 -4.2575 -3.9673 -3.9636 -3.9469 -3.9420 2.0022 2.0551 2.2464 2.2931 2.3953 2.4170 2.7292 2.7572 3.2547 3.3986 3.4024 3.4635 3.4920 3.5038 3.5437 3.5668 3.6720 3.6995 3.7380 3.7491 4.0168 4.0223 4.0506 4.0826 4.2635 4.2735 4.3654 4.3893 4.4314 4.5071 4.5201 4.5669 4.5706 4.5826 4.6380 4.6690 4.8741 4.9218 5.1443 5.1463 5.1544 5.1888 5.2267 5.2659 5.2938 5.3151 5.5285 5.5842 6.1514 6.2178 6.2858 6.3608 6.4458 6.4801 8.4303 8.4906 8.5011 8.5096 8.5891 8.5957 8.9491 9.0354 9.2426 9.2780 10.7715 10.8466 11.2516 11.2747 k = 0.2368 0.5000 0.2368 ( 7892 PWs) bands (ev): -48.1031 -48.1031 -25.7031 -25.7031 -23.6136 -23.6136 -23.6132 -23.6132 -4.4302 -4.4290 -4.2780 -4.2702 -3.9529 -3.9491 -3.9333 -3.9287 2.0045 2.0606 2.2722 2.3180 2.4280 2.4487 2.7480 2.7778 3.2366 3.3818 3.3899 3.4541 3.4782 3.4946 3.5324 3.5502 3.6752 3.7052 3.7442 3.7499 4.0288 4.0338 4.0612 4.0976 4.2583 4.2681 4.3636 4.3865 4.4305 4.5060 4.5244 4.5663 4.5687 4.5828 4.6482 4.6819 4.8908 4.9447 5.1252 5.1274 5.1426 5.1871 5.2233 5.2566 5.2783 5.3121 5.5466 5.5991 6.1043 6.1917 6.2384 6.3401 6.4278 6.4648 8.4286 8.4545 8.4768 8.4918 8.5586 8.5919 8.9089 8.9982 9.2127 9.2527 10.8193 10.8952 11.3180 11.3465 k = 0.2237 0.5000 0.2237 ( 7888 PWs) bands (ev): -48.1031 -48.1031 -25.7030 -25.7030 -23.6136 -23.6136 -23.6131 -23.6131 -4.4489 -4.4479 -4.2903 -4.2828 -3.9386 -3.9346 -3.9198 -3.9154 2.0056 2.0644 2.2974 2.3420 2.4593 2.4788 2.7654 2.7968 3.2202 3.3654 3.3768 3.4430 3.4636 3.4820 3.5236 3.5385 3.6805 3.7112 3.7505 3.7529 4.0409 4.0456 4.0726 4.1136 4.2542 4.2633 4.3623 4.3839 4.4294 4.5047 4.5286 4.5639 4.5686 4.5831 4.6588 4.6954 4.9069 4.9674 5.1013 5.1049 5.1391 5.1871 5.2179 5.2500 5.2617 5.3108 5.5645 5.6133 6.0535 6.1455 6.2118 6.3230 6.4151 6.4543 8.4013 8.4282 8.4367 8.4923 8.5478 8.5908 8.8676 8.9606 9.1824 9.2263 10.8655 10.9416 11.3787 11.4148 k = 0.2105 0.5000 0.2105 ( 7888 PWs) bands (ev): -48.1031 -48.1031 -25.7030 -25.7030 -23.6136 -23.6136 -23.6131 -23.6131 -4.4672 -4.4663 -4.3023 -4.2951 -3.9243 -3.9201 -3.9062 -3.9021 2.0055 2.0661 2.3216 2.3645 2.4886 2.5069 2.7815 2.8144 3.2057 3.3495 3.3625 3.4276 3.4517 3.4673 3.5171 3.5314 3.6873 3.7176 3.7567 3.7574 4.0529 4.0573 4.0850 4.1304 4.2515 4.2594 4.3613 4.3816 4.4282 4.5030 4.5323 4.5605 4.5693 4.5835 4.6694 4.7089 4.9212 4.9884 5.0759 5.0851 5.1385 5.1883 5.2093 5.2451 5.2471 5.3108 5.5821 5.6266 5.9997 6.0863 6.1999 6.3095 6.4069 6.4479 8.3489 8.3876 8.4312 8.4942 8.5480 8.5920 8.8259 8.9233 9.1520 9.1993 10.9094 10.9850 11.4318 11.4779 k = 0.1974 0.5000 0.1974 ( 7888 PWs) bands (ev): -48.1031 -48.1031 -25.7030 -25.7030 -23.6136 -23.6136 -23.6131 -23.6131 -4.4848 -4.4840 -4.3140 -4.3072 -3.9102 -3.9059 -3.8928 -3.8891 2.0042 2.0659 2.3446 2.3853 2.5158 2.5329 2.7965 2.8310 3.1932 3.3345 3.3467 3.4078 3.4435 3.4530 3.5125 3.5273 3.6953 3.7243 3.7628 3.7630 4.0642 4.0687 4.0988 4.1480 4.2505 4.2565 4.3606 4.3796 4.4269 4.5010 4.5354 4.5567 4.5705 4.5840 4.6794 4.7219 4.9321 5.0035 5.0551 5.0680 5.1410 5.1883 5.1985 5.2315 5.2470 5.3119 5.5991 5.6387 5.9440 6.0234 6.1941 6.2994 6.4022 6.4446 8.2979 8.3379 8.4351 8.4970 8.5538 8.5950 8.7843 8.8871 9.1216 9.1719 10.9501 11.0245 11.4749 11.5336 k = 0.1842 0.5000 0.1842 ( 7890 PWs) bands (ev): -48.1031 -48.1031 -25.7030 -25.7030 -23.6135 -23.6135 -23.6130 -23.6130 -4.5018 -4.5011 -4.3254 -4.3190 -3.8964 -3.8919 -3.8796 -3.8763 2.0017 2.0636 2.3661 2.4042 2.5406 2.5565 2.8107 2.8468 3.1829 3.3203 3.3293 3.3864 3.4375 3.4410 3.5093 3.5248 3.7041 3.7313 3.7687 3.7692 4.0746 4.0794 4.1139 4.1663 4.2516 4.2551 4.3603 4.3779 4.4255 4.4986 4.5377 4.5525 4.5722 4.5845 4.6883 4.7339 4.9373 5.0008 5.0509 5.0558 5.1457 5.1810 5.1882 5.2276 5.2486 5.3139 5.6154 5.6493 5.8873 5.9590 6.1928 6.2927 6.4003 6.4439 8.2490 8.2890 8.4408 8.5002 8.5632 8.5997 8.7432 8.8529 9.0915 9.1442 10.9870 11.0595 11.5057 11.5795 k = 0.1711 0.5000 0.1711 ( 7890 PWs) bands (ev): -48.1031 -48.1031 -25.7030 -25.7030 -23.6135 -23.6135 -23.6130 -23.6130 -4.5180 -4.5174 -4.3363 -4.3302 -3.8829 -3.8783 -3.8667 -3.8639 1.9982 2.0593 2.3859 2.4209 2.5629 2.5776 2.8243 2.8620 3.1748 3.3070 3.3108 3.3650 3.4318 3.4329 3.5072 3.5233 3.7134 3.7383 3.7744 3.7756 4.0839 4.0892 4.1304 4.1852 4.2550 4.2553 4.3603 4.3764 4.4243 4.4960 4.5392 4.5481 4.5744 4.5851 4.6958 4.7444 4.9351 4.9819 5.0504 5.0614 5.1483 5.1660 5.1832 5.2346 5.2513 5.3167 5.6305 5.6581 5.8308 5.8944 6.1955 6.2894 6.4006 6.4450 8.2026 8.2417 8.4483 8.5034 8.5755 8.6058 8.7032 8.8217 9.0618 9.1165 11.0193 11.0894 11.5216 11.6125 k = 0.1579 0.5000 0.1579 ( 7876 PWs) bands (ev): -48.1031 -48.1031 -25.7029 -25.7029 -23.6135 -23.6135 -23.6129 -23.6129 -4.5333 -4.5328 -4.3467 -4.3410 -3.8699 -3.8653 -3.8543 -3.8519 1.9937 2.0533 2.4038 2.4353 2.5825 2.5963 2.8373 2.8767 3.1688 3.2922 3.2947 3.3445 3.4253 3.4293 3.5059 3.5223 3.7228 3.7454 3.7799 3.7818 4.0920 4.0978 4.1480 4.2048 4.2575 4.2608 4.3606 4.3753 4.4232 4.4932 4.5398 4.5435 4.5772 4.5856 4.7015 4.7527 4.9261 4.9594 5.0499 5.0727 5.1454 5.1503 5.1884 5.2472 5.2550 5.3204 5.6441 5.6648 5.7754 5.8303 6.2021 6.2896 6.4024 6.4476 8.1590 8.1966 8.4573 8.5058 8.5901 8.6127 8.6647 8.7944 9.0328 9.0889 11.0468 11.1137 11.5205 11.6283 k = 0.1447 0.5000 0.1447 ( 7872 PWs) bands (ev): -48.1030 -48.1030 -25.7029 -25.7029 -23.6135 -23.6135 -23.6129 -23.6129 -4.5477 -4.5472 -4.3564 -4.3512 -3.8576 -3.8529 -3.8424 -3.8404 1.9886 2.0457 2.4197 2.4475 2.5995 2.6125 2.8498 2.8906 3.1647 3.2742 3.2833 3.3257 3.4208 3.4265 3.5053 3.5217 3.7322 3.7525 3.7849 3.7876 4.0989 4.1050 4.1667 4.2249 4.2616 4.2690 4.3612 4.3744 4.4223 4.4902 4.5377 4.5405 4.5803 4.5861 4.7053 4.7587 4.9126 4.9369 5.0483 5.0771 5.1404 5.1445 5.1992 5.2600 5.2618 5.3253 5.6554 5.6685 5.7222 5.7677 6.2124 6.2932 6.4055 6.4514 8.1184 8.1542 8.4677 8.5064 8.6058 8.6203 8.6292 8.7723 9.0047 9.0616 11.0688 11.1322 11.5014 11.6230 k = 0.1316 0.5000 0.1316 ( 7872 PWs) bands (ev): -48.1030 -48.1030 -25.7029 -25.7029 -23.6135 -23.6135 -23.6129 -23.6129 -4.5610 -4.5606 -4.3655 -4.3607 -3.8459 -3.8412 -3.8312 -3.8296 1.9829 2.0368 2.4336 2.4576 2.6140 2.6264 2.8615 2.9036 3.1625 3.2580 3.2726 3.3089 3.4180 3.4244 3.5054 3.5214 3.7414 3.7594 3.7895 3.7929 4.1046 4.1106 4.1861 4.2456 4.2678 4.2792 4.3619 4.3738 4.4218 4.4870 4.5328 4.5395 4.5837 4.5864 4.7077 4.7623 4.8971 4.9150 5.0391 5.0702 5.1419 5.1528 5.2110 5.2664 5.2762 5.3321 5.6623 5.6670 5.6736 5.7092 6.2263 6.3004 6.4095 6.4558 8.0811 8.1146 8.4791 8.5041 8.5914 8.6280 8.6281 8.7565 8.9776 9.0346 11.0854 11.1445 11.4653 11.5946 k = 0.1184 0.5000 0.1184 ( 7878 PWs) bands (ev): -48.1031 -48.1031 -25.7029 -25.7029 -23.6135 -23.6135 -23.6128 -23.6128 -4.5733 -4.5730 -4.3739 -4.3695 -3.8349 -3.8303 -3.8206 -3.8194 1.9769 2.0270 2.4454 2.4657 2.6263 2.6379 2.8725 2.9151 3.1619 3.2441 3.2626 3.2945 3.4164 3.4228 3.5059 3.5214 3.7502 3.7660 3.7937 3.7976 4.1091 4.1149 4.2061 4.2670 4.2760 4.2911 4.3627 4.3734 4.4218 4.4837 4.5276 4.5380 4.5864 4.5873 4.7089 4.7637 4.8809 4.8940 5.0217 5.0550 5.1545 5.1668 5.2230 5.2743 5.2883 5.3415 5.6246 5.6377 5.6705 5.6778 6.2432 6.3108 6.4141 6.4609 8.0472 8.0782 8.4906 8.4981 8.5612 8.6364 8.6478 8.7471 8.9519 9.0082 11.0964 11.1503 11.4162 11.5461 k = 0.1053 0.5000 0.1053 ( 7874 PWs) bands (ev): -48.1031 -48.1031 -25.7029 -25.7029 -23.6135 -23.6135 -23.6128 -23.6128 -4.5844 -4.5842 -4.3815 -4.3776 -3.8249 -3.8205 -3.8109 -3.8101 1.9710 2.0166 2.4554 2.4721 2.6365 2.6474 2.8824 2.9248 3.1629 3.2330 3.2533 3.2825 3.4157 3.4217 3.5070 3.5215 3.7586 3.7724 3.7973 3.8015 4.1127 4.1181 4.2266 4.2857 4.2886 4.3043 4.3637 4.3733 4.4226 4.4804 4.5223 4.5357 4.5861 4.5910 4.7096 4.7635 4.8647 4.8739 4.9998 5.0356 5.1739 5.1799 5.2376 5.2828 5.2971 5.3539 5.5834 5.5846 5.6705 5.6723 6.2624 6.3241 6.4194 6.4662 8.0169 8.0451 8.4884 8.4977 8.5385 8.6454 8.6692 8.7431 8.9281 8.9823 11.1016 11.1495 11.3594 11.4846 k = 0.0921 0.5000 0.0921 ( 7858 PWs) bands (ev): -48.1030 -48.1030 -25.7028 -25.7028 -23.6134 -23.6134 -23.6128 -23.6128 -4.5944 -4.5942 -4.3882 -4.3848 -3.8157 -3.8116 -3.8021 -3.8015 1.9653 2.0061 2.4636 2.4770 2.6449 2.6549 2.8913 2.9322 3.1652 3.2250 3.2448 3.2726 3.4156 3.4209 3.5084 3.5217 3.7665 3.7784 3.8005 3.8047 4.1154 4.1204 4.2474 4.2966 4.3087 4.3195 4.3646 4.3735 4.4246 4.4770 4.5170 4.5325 4.5854 4.5949 4.7104 4.7623 4.8489 4.8547 4.9765 5.0141 5.1881 5.1965 5.2570 5.2912 5.3024 5.3685 5.5329 5.5477 5.6632 5.6705 6.2830 6.3392 6.4255 6.4718 7.9903 8.0153 8.4757 8.4879 8.5366 8.6555 8.6912 8.7425 8.9066 8.9571 11.1010 11.1418 11.3010 11.4183 k = 0.0789 0.5000 0.0789 ( 7862 PWs) bands (ev): -48.1030 -48.1030 -25.7028 -25.7028 -23.6134 -23.6134 -23.6127 -23.6127 -4.6031 -4.6029 -4.3942 -4.3912 -3.8076 -3.8039 -3.7943 -3.7939 1.9602 1.9957 2.4701 2.4807 2.6517 2.6608 2.8991 2.9370 3.1689 3.2201 3.2372 3.2645 3.4158 3.4203 3.5100 3.5220 3.7738 3.7839 3.8030 3.8071 4.1174 4.1219 4.2681 4.3081 4.3242 4.3384 4.3657 4.3740 4.4284 4.4736 4.5117 4.5283 4.5843 4.5988 4.7116 4.7606 4.8334 4.8362 4.9534 4.9915 5.1913 5.2197 5.2798 5.2994 5.3045 5.3839 5.4862 5.5181 5.6539 5.6652 6.3041 6.3547 6.4325 6.4773 7.9673 7.9890 8.4613 8.4678 8.5491 8.6666 8.7132 8.7427 8.8884 8.9328 11.0938 11.1271 11.2471 11.3545 k = 0.0658 0.5000 0.0658 ( 7868 PWs) bands (ev): -48.1030 -48.1030 -25.7028 -25.7028 -23.6134 -23.6134 -23.6127 -23.6127 -4.6106 -4.6104 -4.3992 -4.3967 -3.8006 -3.7973 -3.7875 -3.7873 1.9558 1.9858 2.4753 2.4833 2.6572 2.6651 2.9058 2.9395 3.1737 3.2179 3.2304 3.2575 3.4162 3.4199 3.5119 3.5222 3.7804 3.7888 3.8049 3.8086 4.1190 4.1229 4.2885 4.3196 4.3359 4.3569 4.3682 4.3749 4.4345 4.4700 4.5063 4.5233 4.5831 4.6025 4.7139 4.7589 4.8184 4.8186 4.9319 4.9687 5.1920 5.2417 5.2973 5.3029 5.3135 5.3992 5.4474 5.4944 5.6428 5.6565 6.3243 6.3689 6.4409 6.4825 7.9480 7.9663 8.4466 8.4482 8.5652 8.6780 8.7342 8.7418 8.8740 8.9096 11.0789 11.1056 11.2039 11.2982 k = 0.0526 0.5000 0.0526 ( 7868 PWs) bands (ev): -48.1030 -48.1030 -25.7028 -25.7028 -23.6134 -23.6134 -23.6127 -23.6127 -4.6167 -4.6166 -4.4033 -4.4013 -3.7947 -3.7919 -3.7819 -3.7818 1.9525 1.9767 2.4792 2.4851 2.6616 2.6681 2.9117 2.9399 3.1792 3.2180 3.2243 3.2515 3.4166 3.4196 3.5137 3.5222 3.7864 3.7932 3.8063 3.8093 4.1202 4.1235 4.3077 4.3308 4.3450 4.3632 4.3765 4.3806 4.4435 4.4666 4.5006 4.5175 4.5823 4.6056 4.7175 4.7577 4.8023 4.8037 4.9133 4.9466 5.1926 5.2603 5.2960 5.3032 5.3374 5.4124 5.4210 5.4763 5.6306 5.6453 6.3428 6.3801 6.4510 6.4872 7.9325 7.9472 8.4314 8.4327 8.5828 8.6879 8.7398 8.7532 8.8639 8.8879 11.0569 11.0790 11.1748 11.2523 k = 0.0395 0.5000 0.0395 ( 7880 PWs) bands (ev): -48.1031 -48.1031 -25.7028 -25.7028 -23.6134 -23.6134 -23.6127 -23.6127 -4.6215 -4.6214 -4.4065 -4.4050 -3.7899 -3.7878 -3.7775 -3.7775 1.9504 1.9687 2.4822 2.4863 2.6650 2.6701 2.9168 2.9386 3.1852 3.2188 3.2198 3.2461 3.4171 3.4193 3.5156 3.5221 3.7917 3.7969 3.8070 3.8093 4.1212 4.1237 4.3246 4.3410 4.3515 4.3633 4.3793 4.3946 4.4545 4.4643 4.4941 4.5113 4.5827 4.6071 4.7227 4.7571 4.7878 4.7893 4.8986 4.9263 5.1947 5.2704 5.2867 5.3055 5.3615 5.4038 5.4280 5.4631 5.6184 5.6326 6.3587 6.3874 6.4621 6.4907 7.9208 7.9318 8.4182 8.4207 8.6012 8.6920 8.7401 8.7688 8.8572 8.8687 11.0325 11.0508 11.1587 11.2167 k = 0.0263 0.5000 0.0263 ( 7888 PWs) bands (ev): -48.1031 -48.1031 -25.7028 -25.7028 -23.6134 -23.6134 -23.6127 -23.6127 -4.6249 -4.6249 -4.4087 -4.4077 -3.7864 -3.7850 -3.7743 -3.7743 1.9497 1.9619 2.4843 2.4869 2.6676 2.6711 2.9213 2.9362 3.1912 3.2135 3.2229 3.2410 3.4176 3.4190 3.5173 3.5217 3.7962 3.7999 3.8072 3.8085 4.1220 4.1237 4.3379 4.3498 4.3553 4.3621 4.3843 4.4034 4.4601 4.4702 4.4865 4.5050 4.5851 4.6062 4.7297 4.7574 4.7753 4.7759 4.8889 4.9088 5.1997 5.2576 5.2912 5.3059 5.3818 5.3996 5.4386 5.4542 5.6081 5.6198 6.3716 6.3909 6.4729 6.4926 7.9129 7.9203 8.4089 8.4113 8.6200 8.6864 8.7473 8.7784 8.8525 8.8540 11.0122 11.0256 11.1517 11.1901 k = 0.0132 0.5000 0.0132 ( 7888 PWs) bands (ev): -48.1031 -48.1031 -25.7028 -25.7028 -23.6134 -23.6134 -23.6127 -23.6127 -4.6270 -4.6270 -4.4099 -4.4094 -3.7841 -3.7834 -3.7724 -3.7724 1.9504 1.9566 2.4857 2.4870 2.6695 2.6713 2.9255 2.9331 3.1971 3.2082 3.2269 3.2361 3.4180 3.4187 3.5188 3.5210 3.7999 3.8020 3.8069 3.8073 4.1226 4.1235 4.3473 4.3559 4.3562 4.3605 4.3919 4.4050 4.4633 4.4781 4.4814 4.4984 4.5899 4.6023 4.7386 4.7586 4.7621 4.7673 4.8850 4.8955 5.2087 5.2388 5.2978 5.3049 5.3954 5.4003 5.4453 5.4495 5.6021 5.6089 6.3812 6.3908 6.4820 6.4920 7.9089 7.9126 8.4036 8.4050 8.6387 8.6734 8.7591 8.7792 8.8463 8.8486 11.0003 11.0074 11.1519 11.1709 k = 0.0000 0.5000-0.0000 ( 7920 PWs) bands (ev): -48.1032 -48.1032 -25.7028 -25.7028 -23.6134 -23.6134 -23.6127 -23.6127 -4.6277 -4.6277 -4.4101 -4.4101 -3.7831 -3.7831 -3.7717 -3.7717 1.9527 1.9527 2.4866 2.4866 2.6707 2.6707 2.9294 2.9294 3.2028 3.2028 3.2314 3.2314 3.4183 3.4183 3.5200 3.5200 3.8022 3.8022 3.8065 3.8065 4.1231 4.1231 4.3533 4.3533 4.3589 4.3589 4.4001 4.4001 4.4697 4.4697 4.4908 4.4908 4.5963 4.5963 4.7494 4.7494 4.7619 4.7619 4.8873 4.8873 5.2218 5.2218 5.3022 5.3022 5.4005 5.4005 5.4479 5.4479 5.6023 5.6023 6.3876 6.3876 6.4885 6.4885 7.9087 7.9087 8.4024 8.4024 8.6568 8.6568 8.7713 8.7713 8.8457 8.8457 10.9986 10.9986 11.1583 11.1583 k = 0.5000 0.5000-0.0000 ( 7836 PWs) bands (ev): -48.1029 -48.1029 -25.7030 -25.7030 -23.6138 -23.6138 -23.6130 -23.6130 -4.2603 -4.2603 -4.1623 -4.1623 -4.1475 -4.1475 -4.0524 -4.0524 2.2559 2.2559 2.3133 2.3133 2.4700 2.4700 3.0576 3.0576 3.2921 3.2921 3.4161 3.4161 3.4450 3.4450 3.4858 3.4858 3.5100 3.5100 3.7769 3.7769 3.9277 3.9277 3.9786 3.9786 4.3166 4.3166 4.4142 4.4142 4.4204 4.4204 4.5538 4.5538 4.6156 4.6156 4.6515 4.6515 4.7954 4.7954 5.0111 5.0111 5.1874 5.1874 5.2313 5.2313 5.2536 5.2536 5.3866 5.3866 6.0095 6.0095 6.1235 6.1235 6.7039 6.7039 8.2022 8.2022 8.5303 8.5303 8.9922 8.9922 9.0497 9.0497 9.1534 9.1534 11.1535 11.1535 11.1573 11.1573 k = 0.5000 0.5000 0.0185 ( 7844 PWs) bands (ev): -48.1029 -48.1029 -25.7031 -25.7031 -23.6138 -23.6138 -23.6130 -23.6130 -4.2600 -4.2600 -4.1623 -4.1623 -4.1474 -4.1474 -4.0524 -4.0524 2.2544 2.2544 2.3116 2.3116 2.4675 2.4675 3.0533 3.0533 3.2924 3.2924 3.4154 3.4154 3.4458 3.4458 3.4897 3.4897 3.5122 3.5122 3.7766 3.7766 3.9278 3.9278 3.9785 3.9785 4.3170 4.3170 4.4138 4.4138 4.4205 4.4205 4.5538 4.5538 4.6151 4.6151 4.6503 4.6503 4.7950 4.7950 5.0120 5.0120 5.1885 5.1885 5.2328 5.2328 5.2566 5.2566 5.3864 5.3864 6.0103 6.0103 6.1245 6.1245 6.7048 6.7048 8.2007 8.2007 8.5347 8.5347 8.9931 8.9931 9.0491 9.0491 9.1545 9.1545 11.1519 11.1519 11.1555 11.1555 k = 0.5000 0.5000 0.0370 ( 7844 PWs) bands (ev): -48.1029 -48.1029 -25.7031 -25.7031 -23.6138 -23.6138 -23.6130 -23.6130 -4.2591 -4.2591 -4.1620 -4.1620 -4.1472 -4.1472 -4.0525 -4.0525 2.2502 2.2502 2.3067 2.3067 2.4604 2.4604 3.0407 3.0407 3.2938 3.2938 3.4146 3.4146 3.4481 3.4481 3.4968 3.4968 3.5218 3.5218 3.7758 3.7758 3.9278 3.9278 3.9782 3.9782 4.3184 4.3184 4.4125 4.4125 4.4206 4.4206 4.5540 4.5540 4.6139 4.6139 4.6472 4.6472 4.7937 4.7937 5.0144 5.0144 5.1919 5.1919 5.2378 5.2378 5.2647 5.2647 5.3856 5.3856 6.0127 6.0127 6.1275 6.1275 6.7073 6.7073 8.1964 8.1964 8.5478 8.5478 8.9956 8.9956 9.0474 9.0474 9.1580 9.1580 11.1470 11.1470 11.1501 11.1501 k = 0.5000 0.5000 0.0556 ( 7828 PWs) bands (ev): -48.1029 -48.1029 -25.7031 -25.7031 -23.6138 -23.6138 -23.6131 -23.6131 -4.2575 -4.2575 -4.1616 -4.1616 -4.1468 -4.1468 -4.0526 -4.0526 2.2431 2.2431 2.2986 2.2986 2.4488 2.4488 3.0205 3.0205 3.2967 3.2967 3.4158 3.4158 3.4519 3.4519 3.5012 3.5012 3.5407 3.5407 3.7745 3.7745 3.9280 3.9280 3.9778 3.9778 4.3207 4.3207 4.4106 4.4106 4.4208 4.4208 4.5544 4.5544 4.6119 4.6119 4.6422 4.6422 4.7917 4.7917 5.0181 5.0181 5.1977 5.1977 5.2464 5.2464 5.2768 5.2768 5.3844 5.3844 6.0171 6.0171 6.1329 6.1329 6.7115 6.7115 8.1904 8.1904 8.5684 8.5684 8.9995 8.9995 9.0449 9.0449 9.1637 9.1637 11.1387 11.1387 11.1409 11.1409 k = 0.5000 0.5000 0.0741 ( 7852 PWs) bands (ev): -48.1030 -48.1030 -25.7031 -25.7031 -23.6138 -23.6138 -23.6131 -23.6131 -4.2554 -4.2554 -4.1610 -4.1610 -4.1462 -4.1462 -4.0529 -4.0529 2.2334 2.2334 2.2877 2.2877 2.4331 2.4331 2.9939 2.9939 3.3019 3.3019 3.4197 3.4197 3.4570 3.4570 3.5041 3.5041 3.5650 3.5650 3.7726 3.7726 3.9282 3.9282 3.9772 3.9772 4.3237 4.3237 4.4080 4.4080 4.4210 4.4210 4.5548 4.5548 4.6093 4.6093 4.6360 4.6360 4.7892 4.7892 5.0228 5.0228 5.2057 5.2057 5.2582 5.2582 5.2916 5.2916 5.3828 5.3828 6.0236 6.0236 6.1410 6.1410 6.7172 6.7172 8.1839 8.1839 8.5954 8.5954 9.0043 9.0043 9.0418 9.0418 9.1714 9.1714 11.1268 11.1268 11.1277 11.1277 k = 0.5000 0.5000 0.0926 ( 7844 PWs) bands (ev): -48.1029 -48.1029 -25.7031 -25.7031 -23.6138 -23.6138 -23.6131 -23.6131 -4.2527 -4.2527 -4.1603 -4.1603 -4.1455 -4.1455 -4.0532 -4.0532 2.2211 2.2211 2.2742 2.2742 2.4139 2.4139 2.9623 2.9623 3.3093 3.3093 3.4262 3.4262 3.4635 3.4635 3.5068 3.5068 3.5917 3.5917 3.7703 3.7703 3.9284 3.9284 3.9765 3.9765 4.3273 4.3273 4.4050 4.4050 4.4213 4.4213 4.5555 4.5555 4.6065 4.6065 4.6289 4.6289 4.7865 4.7865 5.0282 5.0282 5.2159 5.2159 5.2722 5.2722 5.3077 5.3077 5.3812 5.3812 6.0329 6.0329 6.1523 6.1523 6.7245 6.7245 8.1780 8.1780 8.6277 8.6277 9.0086 9.0086 9.0396 9.0396 9.1809 9.1809 11.1101 11.1101 11.1114 11.1114 k = 0.5000 0.5000 0.1111 ( 7836 PWs) bands (ev): -48.1029 -48.1029 -25.7031 -25.7031 -23.6138 -23.6138 -23.6131 -23.6131 -4.2495 -4.2495 -4.1594 -4.1594 -4.1447 -4.1447 -4.0536 -4.0536 2.2066 2.2066 2.2585 2.2585 2.3917 2.3917 2.9271 2.9271 3.3188 3.3188 3.4348 3.4348 3.4709 3.4709 3.5099 3.5099 3.6190 3.6190 3.7677 3.7677 3.9287 3.9287 3.9756 3.9756 4.3312 4.3312 4.4019 4.4019 4.4215 4.4215 4.5562 4.5562 4.6034 4.6034 4.6215 4.6215 4.7837 4.7837 5.0342 5.0342 5.2277 5.2277 5.2874 5.2874 5.3237 5.3237 5.3801 5.3801 6.0454 6.0454 6.1674 6.1674 6.7332 6.7332 8.1736 8.1736 8.6641 8.6641 9.0099 9.0099 9.0407 9.0407 9.1918 9.1918 11.0881 11.0881 11.0917 11.0917 k = 0.5000 0.5000 0.1296 ( 7852 PWs) bands (ev): -48.1030 -48.1030 -25.7031 -25.7031 -23.6138 -23.6138 -23.6132 -23.6132 -4.2457 -4.2457 -4.1585 -4.1585 -4.1437 -4.1437 -4.0541 -4.0541 2.1899 2.1899 2.2410 2.2410 2.3670 2.3670 2.8893 2.8893 3.3301 3.3301 3.4452 3.4452 3.4791 3.4791 3.5135 3.5135 3.6459 3.6459 3.7648 3.7648 3.9290 3.9290 3.9744 3.9744 4.3351 4.3351 4.3990 4.3990 4.4218 4.4218 4.5569 4.5569 4.6004 4.6004 4.6139 4.6139 4.7810 4.7810 5.0409 5.0409 5.2405 5.2405 5.3026 5.3026 5.3376 5.3376 5.3807 5.3807 6.0616 6.0616 6.1868 6.1868 6.7433 6.7433 8.1717 8.1717 8.7038 8.7038 9.0065 9.0065 9.0466 9.0466 9.2039 9.2039 11.0613 11.0613 11.0678 11.0678 k = 0.5000 0.5000 0.1481 ( 7852 PWs) bands (ev): -48.1029 -48.1029 -25.7031 -25.7031 -23.6138 -23.6138 -23.6132 -23.6132 -4.2414 -4.2414 -4.1573 -4.1573 -4.1426 -4.1426 -4.0548 -4.0548 2.1714 2.1714 2.2220 2.2220 2.3405 2.3405 2.8501 2.8501 3.3427 3.3427 3.4568 3.4568 3.4878 3.4878 3.5179 3.5179 3.6716 3.6716 3.7620 3.7620 3.9292 3.9292 3.9731 3.9731 4.3384 4.3384 4.3970 4.3970 4.4221 4.4221 4.5578 4.5578 4.5975 4.5975 4.6067 4.6067 4.7784 4.7784 5.0483 5.0483 5.2535 5.2535 5.3166 5.3166 5.3467 5.3467 5.3848 5.3848 6.0823 6.0823 6.2111 6.2111 6.7547 6.7547 8.1728 8.1728 8.7460 8.7460 8.9997 8.9997 9.0559 9.0559 9.2167 9.2167 11.0296 11.0296 11.0397 11.0397 k = 0.5000 0.5000 0.1667 ( 7840 PWs) bands (ev): -48.1029 -48.1029 -25.7031 -25.7031 -23.6138 -23.6138 -23.6132 -23.6132 -4.2367 -4.2367 -4.1561 -4.1561 -4.1415 -4.1415 -4.0555 -4.0555 2.1514 2.1514 2.2020 2.2020 2.3127 2.3127 2.8101 2.8101 3.3565 3.3565 3.4695 3.4695 3.4964 3.4964 3.5235 3.5235 3.6950 3.6950 3.7600 3.7600 3.9295 3.9295 3.9716 3.9716 4.3407 4.3407 4.3965 4.3965 4.4224 4.4224 4.5588 4.5588 4.5947 4.5947 4.6003 4.6003 4.7761 4.7761 5.0566 5.0566 5.2660 5.2660 5.3283 5.3283 5.3505 5.3505 5.3927 5.3927 6.1078 6.1078 6.2407 6.2407 6.7673 6.7673 8.1774 8.1774 8.7898 8.7898 8.9909 8.9909 9.0670 9.0670 9.2298 9.2298 10.9932 10.9932 11.0075 11.0075 k = 0.5000 0.5000 0.1852 ( 7860 PWs) bands (ev): -48.1030 -48.1030 -25.7031 -25.7031 -23.6138 -23.6138 -23.6133 -23.6133 -4.2315 -4.2315 -4.1548 -4.1548 -4.1402 -4.1402 -4.0564 -4.0564 2.1302 2.1302 2.1813 2.1813 2.2841 2.2841 2.7699 2.7699 3.3710 3.3710 3.4827 3.4827 3.5044 3.5044 3.5304 3.5304 3.7138 3.7138 3.7608 3.7608 3.9297 3.9297 3.9699 3.9699 4.3413 4.3413 4.3978 4.3978 4.4228 4.4228 4.5598 4.5598 4.5908 4.5908 4.5956 4.5956 4.7738 4.7738 5.0656 5.0656 5.2773 5.2773 5.3357 5.3357 5.3526 5.3526 5.4016 5.4016 6.1384 6.1384 6.2757 6.2757 6.7809 6.7809 8.1860 8.1860 8.8344 8.8344 8.9810 8.9810 9.0791 9.0791 9.2427 9.2427 10.9524 10.9524 10.9714 10.9714 k = 0.5000 0.5000 0.2037 ( 7852 PWs) bands (ev): -48.1029 -48.1029 -25.7031 -25.7031 -23.6138 -23.6138 -23.6133 -23.6133 -4.2259 -4.2259 -4.1534 -4.1534 -4.1389 -4.1389 -4.0575 -4.0575 2.1081 2.1081 2.1603 2.1603 2.2551 2.2551 2.7301 2.7301 3.3861 3.3861 3.4964 3.4964 3.5118 3.5118 3.5388 3.5388 3.7241 3.7241 3.7683 3.7683 3.9299 3.9299 3.9681 3.9681 4.3403 4.3403 4.4012 4.4012 4.4233 4.4233 4.5608 4.5608 4.5858 4.5858 4.5932 4.5932 4.7719 4.7719 5.0756 5.0756 5.2869 5.2869 5.3369 5.3369 5.3566 5.3566 5.4092 5.4092 6.1741 6.1741 6.3162 6.3162 6.7955 6.7955 8.1988 8.1988 8.8783 8.8783 8.9706 8.9706 9.0919 9.0919 9.2548 9.2548 10.9076 10.9076 10.9319 10.9319 k = 0.5000 0.5000 0.2222 ( 7856 PWs) bands (ev): -48.1030 -48.1030 -25.7032 -25.7032 -23.6138 -23.6138 -23.6134 -23.6134 -4.2200 -4.2200 -4.1520 -4.1520 -4.1375 -4.1375 -4.0588 -4.0588 2.0855 2.0855 2.1391 2.1391 2.2261 2.2261 2.6911 2.6911 3.4017 3.4017 3.5101 3.5101 3.5185 3.5185 3.5483 3.5483 3.7256 3.7256 3.7829 3.7829 3.9300 3.9300 3.9660 3.9660 4.3379 4.3379 4.4061 4.4061 4.4241 4.4241 4.5617 4.5617 4.5810 4.5810 4.5917 4.5917 4.7700 4.7700 5.0863 5.0863 5.2941 5.2941 5.3344 5.3344 5.3612 5.3612 5.4143 5.4143 6.2146 6.2146 6.3617 6.3617 6.8108 6.8108 8.2160 8.2160 8.9189 8.9189 8.9614 8.9614 9.1053 9.1053 9.2654 9.2654 10.8598 10.8598 10.8897 10.8897 k = 0.5000 0.5000 0.2407 ( 7836 PWs) bands (ev): -48.1029 -48.1029 -25.7032 -25.7032 -23.6138 -23.6138 -23.6134 -23.6134 -4.2138 -4.2138 -4.1505 -4.1505 -4.1361 -4.1361 -4.0603 -4.0603 2.0628 2.0628 2.1182 2.1182 2.1974 2.1974 2.6533 2.6533 3.4174 3.4174 3.5225 3.5225 3.5261 3.5261 3.5586 3.5586 3.7226 3.7226 3.8000 3.8000 3.9301 3.9301 3.9638 3.9638 4.3347 4.3347 4.4115 4.4115 4.4259 4.4259 4.5624 4.5624 4.5770 4.5770 4.5908 4.5908 4.7684 4.7684 5.0977 5.0977 5.2988 5.2988 5.3304 5.3304 5.3646 5.3646 5.4167 5.4167 6.2594 6.2594 6.4118 6.4118 6.8269 6.8269 8.2378 8.2378 8.9382 8.9382 8.9695 8.9695 9.1200 9.1200 9.2741 9.2741 10.8097 10.8097 10.8457 10.8457 k = 0.5000 0.5000 0.2593 ( 7844 PWs) bands (ev): -48.1029 -48.1029 -25.7032 -25.7032 -23.6138 -23.6138 -23.6134 -23.6134 -4.2074 -4.2074 -4.1490 -4.1490 -4.1347 -4.1347 -4.0619 -4.0619 2.0402 2.0402 2.0977 2.0977 2.1694 2.1694 2.6168 2.6168 3.4332 3.4332 3.5298 3.5298 3.5385 3.5385 3.5690 3.5690 3.7178 3.7178 3.8170 3.8170 3.9301 3.9301 3.9615 3.9615 4.3311 4.3311 4.4158 4.4158 4.4295 4.4295 4.5622 4.5622 4.5744 4.5744 4.5901 4.5901 4.7670 4.7670 5.1097 5.1097 5.3010 5.3010 5.3257 5.3257 5.3662 5.3662 5.4165 5.4165 6.3077 6.3077 6.4657 6.4657 6.8435 6.8435 8.2641 8.2641 8.9300 8.9300 8.9991 8.9991 9.1368 9.1368 9.2802 9.2802 10.7586 10.7586 10.8007 10.8007 k = 0.5000 0.5000 0.2778 ( 7868 PWs) bands (ev): -48.1030 -48.1030 -25.7032 -25.7032 -23.6138 -23.6138 -23.6135 -23.6135 -4.2007 -4.2007 -4.1475 -4.1475 -4.1333 -4.1333 -4.0639 -4.0639 2.0181 2.0181 2.0778 2.0778 2.1424 2.1424 2.5821 2.5821 3.4488 3.4488 3.5358 3.5358 3.5518 3.5518 3.5794 3.5794 3.7120 3.7120 3.8333 3.8333 3.9301 3.9301 3.9591 3.9591 4.3273 4.3273 4.4181 4.4181 4.4357 4.4357 4.5609 4.5609 4.5734 4.5734 4.5896 4.5896 4.7656 4.7656 5.1222 5.1222 5.3006 5.3006 5.3209 5.3209 5.3659 5.3659 5.4141 5.4141 6.3586 6.3586 6.5226 6.5226 6.8607 6.8607 8.2951 8.2951 8.9185 8.9185 9.0237 9.0237 9.1567 9.1567 9.2831 9.2831 10.7075 10.7075 10.7557 10.7557 k = 0.5000 0.5000 0.2963 ( 7884 PWs) bands (ev): -48.1031 -48.1031 -25.7032 -25.7032 -23.6138 -23.6138 -23.6135 -23.6135 -4.1939 -4.1939 -4.1460 -4.1460 -4.1319 -4.1319 -4.0660 -4.0660 1.9968 1.9968 2.0589 2.0589 2.1166 2.1166 2.5494 2.5494 3.4642 3.4642 3.5418 3.5418 3.5646 3.5646 3.5894 3.5894 3.7057 3.7057 3.8484 3.8484 3.9299 3.9299 3.9565 3.9565 4.3237 4.3237 4.4192 4.4192 4.4435 4.4435 4.5588 4.5588 4.5738 4.5738 4.5893 4.5893 4.7645 4.7645 5.1351 5.1351 5.2983 5.2983 5.3159 5.3159 5.3639 5.3639 5.4098 5.4098 6.4109 6.4109 6.5815 6.5815 6.8782 6.8782 8.3304 8.3304 8.9066 8.9066 9.0393 9.0393 9.1792 9.1792 9.2823 9.2823 10.6576 10.6576 10.7116 10.7116 k = 0.5000 0.5000 0.3148 ( 7868 PWs) bands (ev): -48.1030 -48.1030 -25.7032 -25.7032 -23.6138 -23.6138 -23.6136 -23.6136 -4.1871 -4.1871 -4.1445 -4.1445 -4.1306 -4.1306 -4.0685 -4.0685 1.9765 1.9765 2.0411 2.0411 2.0923 2.0923 2.5188 2.5188 3.4792 3.4792 3.5479 3.5479 3.5770 3.5770 3.5989 3.5989 3.6991 3.6991 3.8622 3.8622 3.9298 3.9298 3.9539 3.9539 4.3204 4.3204 4.4197 4.4197 4.4522 4.4522 4.5564 4.5564 4.5750 4.5750 4.5892 4.5892 4.7634 4.7634 5.1482 5.1482 5.2946 5.2946 5.3108 5.3108 5.3602 5.3602 5.4041 5.4041 6.4635 6.4635 6.6414 6.6414 6.8961 6.8961 8.3699 8.3699 8.8949 8.8949 9.0464 9.0464 9.2020 9.2020 9.2776 9.2776 10.6103 10.6103 10.6691 10.6691 k = 0.5000 0.5000 0.3333 ( 7864 PWs) bands (ev): -48.1030 -48.1030 -25.7032 -25.7032 -23.6138 -23.6138 -23.6136 -23.6136 -4.1802 -4.1802 -4.1429 -4.1429 -4.1293 -4.1293 -4.0712 -4.0712 1.9575 1.9575 2.0245 2.0245 2.0695 2.0695 2.4906 2.4906 3.4937 3.4937 3.5541 3.5541 3.5886 3.5886 3.6077 3.6077 3.6923 3.6923 3.8747 3.8747 3.9296 3.9296 3.9513 3.9513 4.3173 4.3173 4.4200 4.4200 4.4611 4.4611 4.5539 4.5539 4.5766 4.5766 4.5891 4.5891 4.7625 4.7625 5.1614 5.1614 5.2899 5.2899 5.3058 5.3058 5.3551 5.3551 5.3971 5.3971 6.5152 6.5152 6.7012 6.7012 6.9144 6.9144 8.4134 8.4134 8.8837 8.8837 9.0464 9.0464 9.2217 9.2217 9.2689 9.2689 10.5672 10.5672 10.6287 10.6287 k = 0.5000 0.5000 0.3519 ( 7872 PWs) bands (ev): -48.1030 -48.1030 -25.7033 -25.7033 -23.6138 -23.6138 -23.6136 -23.6136 -4.1735 -4.1735 -4.1414 -4.1414 -4.1281 -4.1281 -4.0742 -4.0742 1.9399 1.9399 2.0095 2.0095 2.0486 2.0486 2.4649 2.4649 3.5075 3.5075 3.5602 3.5602 3.5994 3.5994 3.6156 3.6156 3.6854 3.6854 3.8859 3.8859 3.9295 3.9295 3.9487 3.9487 4.3146 4.3146 4.4201 4.4201 4.4700 4.4700 4.5516 4.5516 4.5782 4.5782 4.5890 4.5890 4.7617 4.7617 5.1746 5.1746 5.2846 5.2846 5.3009 5.3009 5.3488 5.3488 5.3890 5.3890 6.5647 6.5647 6.7597 6.7597 6.9328 6.9328 8.4602 8.4602 8.8732 8.8732 9.0410 9.0410 9.2353 9.2353 9.2567 9.2567 10.5301 10.5301 10.5913 10.5913 k = 0.5000 0.5000 0.3704 ( 7880 PWs) bands (ev): -48.1031 -48.1031 -25.7033 -25.7033 -23.6138 -23.6138 -23.6137 -23.6137 -4.1670 -4.1670 -4.1398 -4.1398 -4.1270 -4.1270 -4.0774 -4.0774 1.9240 1.9240 1.9960 1.9960 2.0295 2.0295 2.4419 2.4419 3.5205 3.5205 3.5662 3.5662 3.6093 3.6093 3.6226 3.6226 3.6785 3.6785 3.8958 3.8958 3.9293 3.9293 3.9461 3.9461 4.3122 4.3122 4.4202 4.4202 4.4788 4.4788 4.5493 4.5493 4.5798 4.5798 4.5889 4.5889 4.7609 4.7609 5.1877 5.1877 5.2791 5.2791 5.2965 5.2965 5.3420 5.3420 5.3800 5.3800 6.6107 6.6107 6.8157 6.8157 6.9515 6.9515 8.5100 8.5100 8.8636 8.8636 9.0313 9.0313 9.2376 9.2376 9.2447 9.2447 10.5008 10.5008 10.5582 10.5582 k = 0.5000 0.5000 0.3889 ( 7872 PWs) bands (ev): -48.1030 -48.1030 -25.7033 -25.7033 -23.6138 -23.6138 -23.6137 -23.6137 -4.1609 -4.1609 -4.1381 -4.1381 -4.1260 -4.1260 -4.0809 -4.0809 1.9099 1.9099 1.9843 1.9843 2.0125 2.0125 2.4217 2.4217 3.5326 3.5326 3.5719 3.5719 3.6181 3.6181 3.6286 3.6286 3.6717 3.6717 3.9044 3.9044 3.9293 3.9293 3.9436 3.9436 4.3102 4.3102 4.4202 4.4202 4.4873 4.4873 4.5470 4.5470 4.5814 4.5814 4.5888 4.5888 4.7604 4.7604 5.2005 5.2005 5.2737 5.2737 5.2927 5.2927 5.3350 5.3350 5.3702 5.3702 6.6520 6.6520 6.8681 6.8681 6.9700 6.9700 8.5620 8.5620 8.8550 8.8550 9.0184 9.0184 9.2216 9.2216 9.2399 9.2399 10.4800 10.4800 10.5304 10.5304 k = 0.5000 0.5000 0.4074 ( 7856 PWs) bands (ev): -48.1030 -48.1030 -25.7033 -25.7033 -23.6138 -23.6138 -23.6137 -23.6137 -4.1554 -4.1554 -4.1360 -4.1360 -4.1252 -4.1252 -4.0846 -4.0846 1.8978 1.8978 1.9746 1.9746 1.9977 1.9977 2.4044 2.4044 3.5438 3.5438 3.5771 3.5771 3.6256 3.6256 3.6337 3.6337 3.6653 3.6653 3.9118 3.9118 3.9294 3.9294 3.9412 3.9412 4.3086 4.3086 4.4203 4.4203 4.4955 4.4955 4.5446 4.5446 4.5829 4.5829 4.5887 4.5887 4.7599 4.7599 5.2128 5.2128 5.2687 5.2687 5.2898 5.2898 5.3282 5.3282 5.3598 5.3598 6.6878 6.6878 6.9154 6.9154 6.9880 6.9880 8.6154 8.6154 8.8477 8.8477 9.0031 9.0031 9.2028 9.2028 9.2285 9.2285 10.4677 10.4677 10.5080 10.5080 k = 0.5000 0.5000 0.4259 ( 7868 PWs) bands (ev): -48.1030 -48.1030 -25.7033 -25.7033 -23.6138 -23.6138 -23.6138 -23.6138 -4.1509 -4.1509 -4.1335 -4.1335 -4.1244 -4.1244 -4.0885 -4.0885 1.8877 1.8877 1.9668 1.9668 1.9850 1.9850 2.3901 2.3901 3.5539 3.5539 3.5813 3.5813 3.6318 3.6318 3.6378 3.6378 3.6593 3.6593 3.9178 3.9178 3.9295 3.9295 3.9389 3.9389 4.3073 4.3073 4.4203 4.4203 4.5031 4.5031 4.5420 4.5420 4.5842 4.5842 4.5884 4.5884 4.7594 4.7594 5.2244 5.2244 5.2642 5.2642 5.2881 5.2881 5.3220 5.3220 5.3489 5.3489 6.7172 6.7172 6.9565 6.9565 7.0048 7.0048 8.6690 8.6690 8.8417 8.8417 8.9861 8.9861 9.1842 9.1842 9.2103 9.2103 10.4627 10.4627 10.4907 10.4907 k = 0.5000 0.5000 0.4444 ( 7872 PWs) bands (ev): -48.1030 -48.1030 -25.7033 -25.7033 -23.6138 -23.6138 -23.6138 -23.6138 -4.1476 -4.1476 -4.1304 -4.1304 -4.1239 -4.1239 -4.0924 -4.0924 1.8797 1.8797 1.9611 1.9611 1.9747 1.9747 2.3790 2.3790 3.5630 3.5630 3.5843 3.5843 3.6366 3.6366 3.6410 3.6410 3.6542 3.6542 3.9225 3.9225 3.9299 3.9299 3.9367 3.9367 4.3062 4.3062 4.4202 4.4202 4.5102 4.5102 4.5391 4.5391 4.5852 4.5852 4.5882 4.5882 4.7590 4.7590 5.2346 5.2346 5.2604 5.2604 5.2881 5.2881 5.3169 5.3169 5.3377 5.3377 6.7401 6.7401 6.9900 6.9900 7.0194 7.0194 8.7214 8.7214 8.8371 8.8371 8.9677 8.9677 9.1676 9.1676 9.1880 9.1880 10.4627 10.4627 10.4785 10.4785 k = 0.5000 0.5000 0.4630 ( 7832 PWs) bands (ev): -48.1029 -48.1029 -25.7033 -25.7033 -23.6138 -23.6138 -23.6138 -23.6138 -4.1455 -4.1455 -4.1271 -4.1271 -4.1235 -4.1235 -4.0960 -4.0960 1.8740 1.8740 1.9576 1.9576 1.9666 1.9666 2.3709 2.3709 3.5709 3.5709 3.5857 3.5857 3.6398 3.6398 3.6431 3.6431 3.6506 3.6506 3.9262 3.9262 3.9304 3.9304 3.9348 3.9348 4.3056 4.3056 4.4203 4.4203 4.5167 4.5167 4.5358 4.5358 4.5861 4.5861 4.5880 4.5880 4.7589 4.7589 5.2429 5.2429 5.2574 5.2574 5.2906 5.2906 5.3128 5.3128 5.3268 5.3268 6.7563 6.7563 7.0151 7.0151 7.0307 7.0307 8.7701 8.7701 8.8338 8.8338 8.9477 8.9477 9.1545 9.1545 9.1661 9.1661 10.4637 10.4637 10.4726 10.4726 k = 0.5000 0.5000 0.4815 ( 7784 PWs) bands (ev): -48.1027 -48.1027 -25.7033 -25.7033 -23.6138 -23.6138 -23.6138 -23.6138 -4.1444 -4.1444 -4.1243 -4.1243 -4.1232 -4.1232 -4.0988 -4.0988 1.8706 1.8706 1.9564 1.9564 1.9609 1.9609 2.3661 2.3661 3.5774 3.5774 3.5851 3.5851 3.6418 3.6418 3.6437 3.6437 3.6490 3.6490 3.9290 3.9290 3.9309 3.9309 3.9329 3.9329 4.3052 4.3052 4.4203 4.4203 4.5226 4.5226 4.5321 4.5321 4.5869 4.5869 4.5878 4.5878 4.7588 4.7588 5.2486 5.2486 5.2548 5.2548 5.2958 5.2958 5.3093 5.3093 5.3174 5.3174 6.7660 6.7660 7.0311 7.0311 7.0375 7.0375 8.8102 8.8102 8.8318 8.8318 8.9275 8.9275 9.1461 9.1461 9.1496 9.1496 10.4614 10.4614 10.4753 10.4753 k = 0.5000 0.5000 0.5000 ( 7784 PWs) bands (ev): -48.1027 -48.1027 -25.7033 -25.7033 -23.6138 -23.6138 -23.6138 -23.6138 -4.1441 -4.1441 -4.1231 -4.1231 -4.1231 -4.1231 -4.0999 -4.0999 1.8694 1.8694 1.9575 1.9575 1.9575 1.9575 2.3645 2.3645 3.5822 3.5822 3.5822 3.5822 3.6430 3.6430 3.6430 3.6430 3.6488 3.6488 3.9310 3.9310 3.9311 3.9311 3.9311 3.9311 4.3051 4.3051 4.4203 4.4203 4.5276 4.5276 4.5276 4.5276 4.5874 4.5874 4.5874 4.5874 4.7587 4.7587 5.2523 5.2523 5.2523 5.2523 5.3031 5.3031 5.3031 5.3031 5.3136 5.3136 6.7691 6.7691 7.0381 7.0381 7.0381 7.0381 8.8298 8.8298 8.8298 8.8298 8.9165 8.9165 9.1433 9.1433 9.1433 9.1433 10.4601 10.4601 10.4807 10.4807 Writing output data file NbCu3Te4.save init_run : 5.45s CPU 13.74s WALL ( 1 calls) electrons : 1063.70s CPU 1074.60s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.25s CPU 1.37s WALL ( 1 calls) Called by electrons: c_bands : 1063.67s CPU 1074.19s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.86s WALL ( 1 calls) v_h : 0.00s CPU 0.02s WALL ( 1 calls) v_xc : 0.06s CPU 0.56s WALL ( 1 calls) newd : 0.55s CPU 0.69s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.15s WALL ( 209 calls) cegterg : 995.54s CPU 1003.60s WALL ( 415 calls) Called by sum_band: Called by *egterg: h_psi : 451.67s CPU 457.24s WALL ( 5792 calls) s_psi : 42.35s CPU 42.42s WALL ( 5792 calls) g_psi : 1.13s CPU 1.17s WALL ( 5168 calls) cdiaghg : 368.30s CPU 367.51s WALL ( 5377 calls) cegterg:over : 88.38s CPU 87.34s WALL ( 5168 calls) cegterg:upda : 32.22s CPU 33.32s WALL ( 5168 calls) cegterg:last : 24.77s CPU 25.10s WALL ( 1042 calls) Called by h_psi: h_psi:vloc : 361.29s CPU 365.07s WALL ( 5792 calls) h_psi:vnl : 89.74s CPU 91.08s WALL ( 5792 calls) add_vuspsi : 37.10s CPU 38.78s WALL ( 5792 calls) General routines calbec : 52.61s CPU 52.25s WALL ( 5792 calls) fft : 0.39s CPU 1.19s WALL ( 19 calls) ffts : 0.00s CPU 0.02s WALL ( 4 calls) fftw : 346.75s CPU 347.86s WALL ( 1097056 calls) interpolate : 0.01s CPU 0.03s WALL ( 4 calls) davcio : 0.02s CPU 2.09s WALL ( 418 calls) Parallel routines fft_scatter : 205.06s CPU 199.59s WALL ( 1097079 calls) PWSCF : 19m 5.83s CPU 21m12.28s WALL This run was terminated on: 10:13:24 29Oct2015 =------------------------------------------------------------------------------= JOB DONE. 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