Program PWSCF v.5.4.0 starts on 29Mar2017 at 6:53:19 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./SiS2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 24 24 6 912 868 128 Max 25 25 7 921 882 137 Sum 1789 1741 497 66043 62835 9669 bravais-lattice index = 14 lattice parameter (alat) = 11.1267 a.u. unit-cell volume = 1592.2969 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 182.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.126707 celldm(2)= 1.000000 celldm(3)= 1.155910 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 1.155910 ) 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 0.865119 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Si 4.00 28.08550 Si( 1.00) 8 Sym. Ops. (no inversion) found ( 6 have fractional translation) 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 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5779552 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( -0.2500000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.2889776 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.2500000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2889776 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5779552 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.2500000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.2889776 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.2500000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.2889776 ) double point group D_4 (422) there are 7 classes and 2 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' -C2 -2C2' -2C2' G_6 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 G_7 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2' -2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 265 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0000000 0.0185185 -0.0000000), wk = 0.0037736 k( 3) = ( 0.0000000 0.0370370 -0.0000000), wk = 0.0037736 k( 4) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0037736 k( 5) = ( 0.0000000 0.0740741 -0.0000000), wk = 0.0037736 k( 6) = ( 0.0000000 0.0925926 -0.0000000), wk = 0.0037736 k( 7) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0037736 k( 8) = ( 0.0000000 0.1296296 -0.0000000), wk = 0.0037736 k( 9) = ( 0.0000000 0.1481482 -0.0000000), wk = 0.0037736 k( 10) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0037736 k( 11) = ( 0.0000000 0.1851852 -0.0000000), wk = 0.0037736 k( 12) = ( 0.0000000 0.2037037 -0.0000000), wk = 0.0037736 k( 13) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0037736 k( 14) = ( 0.0000000 0.2407407 -0.0000000), wk = 0.0037736 k( 15) = ( 0.0000000 0.2592593 -0.0000000), wk = 0.0037736 k( 16) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0037736 k( 17) = ( 0.0000000 0.2962963 -0.0000000), wk = 0.0037736 k( 18) = ( 0.0000000 0.3148148 -0.0000000), wk = 0.0037736 k( 19) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0037736 k( 20) = ( 0.0000000 0.3518519 -0.0000000), wk = 0.0037736 k( 21) = ( 0.0000000 0.3703704 -0.0000000), wk = 0.0037736 k( 22) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0037736 k( 23) = ( 0.0000000 0.4074074 -0.0000000), wk = 0.0037736 k( 24) = ( 0.0000000 0.4259259 -0.0000000), wk = 0.0037736 k( 25) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0037736 k( 26) = ( 0.0000000 0.4629630 -0.0000000), wk = 0.0037736 k( 27) = ( 0.0000000 0.4814815 -0.0000000), wk = 0.0037736 k( 28) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037736 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037736 k( 30) = ( 0.0185185 0.5000000 -0.0000000), wk = 0.0037736 k( 31) = ( 0.0370370 0.5000000 -0.0000000), wk = 0.0037736 k( 32) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0037736 k( 33) = ( 0.0740741 0.5000000 -0.0000000), wk = 0.0037736 k( 34) = ( 0.0925926 0.5000000 -0.0000000), wk = 0.0037736 k( 35) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0037736 k( 36) = ( 0.1296296 0.5000000 -0.0000000), wk = 0.0037736 k( 37) = ( 0.1481482 0.5000000 -0.0000000), wk = 0.0037736 k( 38) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0037736 k( 39) = ( 0.1851852 0.5000000 -0.0000000), wk = 0.0037736 k( 40) = ( 0.2037037 0.5000000 -0.0000000), wk = 0.0037736 k( 41) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0037736 k( 42) = ( 0.2407407 0.5000000 -0.0000000), wk = 0.0037736 k( 43) = ( 0.2592593 0.5000000 -0.0000000), wk = 0.0037736 k( 44) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0037736 k( 45) = ( 0.2962963 0.5000000 -0.0000000), wk = 0.0037736 k( 46) = ( 0.3148148 0.5000000 -0.0000000), wk = 0.0037736 k( 47) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0037736 k( 48) = ( 0.3518519 0.5000000 -0.0000000), wk = 0.0037736 k( 49) = ( 0.3703704 0.5000000 -0.0000000), wk = 0.0037736 k( 50) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0037736 k( 51) = ( 0.4074074 0.5000000 -0.0000000), wk = 0.0037736 k( 52) = ( 0.4259259 0.5000000 -0.0000000), wk = 0.0037736 k( 53) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0037736 k( 54) = ( 0.4629630 0.5000000 -0.0000000), wk = 0.0037736 k( 55) = ( 0.4814815 0.5000000 -0.0000000), wk = 0.0037736 k( 56) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037736 k( 57) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037736 k( 58) = ( 0.4868421 0.4868421 -0.0000000), wk = 0.0037736 k( 59) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0037736 k( 60) = ( 0.4605263 0.4605263 -0.0000000), wk = 0.0037736 k( 61) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0037736 k( 62) = ( 0.4342105 0.4342105 -0.0000000), wk = 0.0037736 k( 63) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0037736 k( 64) = ( 0.4078947 0.4078947 -0.0000000), wk = 0.0037736 k( 65) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0037736 k( 66) = ( 0.3815789 0.3815789 -0.0000000), wk = 0.0037736 k( 67) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0037736 k( 68) = ( 0.3552632 0.3552632 -0.0000000), wk = 0.0037736 k( 69) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0037736 k( 70) = ( 0.3289474 0.3289474 -0.0000000), wk = 0.0037736 k( 71) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0037736 k( 72) = ( 0.3026316 0.3026316 -0.0000000), wk = 0.0037736 k( 73) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0037736 k( 74) = ( 0.2763158 0.2763158 -0.0000000), wk = 0.0037736 k( 75) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0037736 k( 76) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0037736 k( 77) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0037736 k( 78) = ( 0.2236842 0.2236842 -0.0000000), wk = 0.0037736 k( 79) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0037736 k( 80) = ( 0.1973684 0.1973684 -0.0000000), wk = 0.0037736 k( 81) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0037736 k( 82) = ( 0.1710526 0.1710526 -0.0000000), wk = 0.0037736 k( 83) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0037736 k( 84) = ( 0.1447368 0.1447368 -0.0000000), wk = 0.0037736 k( 85) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0037736 k( 86) = ( 0.1184210 0.1184210 -0.0000000), wk = 0.0037736 k( 87) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0037736 k( 88) = ( 0.0921053 0.0921053 -0.0000000), wk = 0.0037736 k( 89) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0037736 k( 90) = ( 0.0657895 0.0657895 -0.0000000), wk = 0.0037736 k( 91) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0037736 k( 92) = ( 0.0394737 0.0394737 -0.0000000), wk = 0.0037736 k( 93) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0037736 k( 94) = ( 0.0131579 0.0131579 -0.0000000), wk = 0.0037736 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 97) = ( 0.0000000 0.0000000 0.0180233), wk = 0.0037736 k( 98) = ( 0.0000000 0.0000000 0.0360466), wk = 0.0037736 k( 99) = ( 0.0000000 0.0000000 0.0540699), wk = 0.0037736 k( 100) = ( 0.0000000 0.0000000 0.0720932), wk = 0.0037736 k( 101) = ( 0.0000000 0.0000000 0.0901166), wk = 0.0037736 k( 102) = ( 0.0000000 0.0000000 0.1081399), wk = 0.0037736 k( 103) = ( 0.0000000 0.0000000 0.1261632), wk = 0.0037736 k( 104) = ( 0.0000000 0.0000000 0.1441865), wk = 0.0037736 k( 105) = ( 0.0000000 0.0000000 0.1622098), wk = 0.0037736 k( 106) = ( 0.0000000 0.0000000 0.1802331), wk = 0.0037736 k( 107) = ( 0.0000000 0.0000000 0.1982564), wk = 0.0037736 k( 108) = ( 0.0000000 0.0000000 0.2162798), wk = 0.0037736 k( 109) = ( 0.0000000 0.0000000 0.2343031), wk = 0.0037736 k( 110) = ( 0.0000000 0.0000000 0.2523264), wk = 0.0037736 k( 111) = ( 0.0000000 0.0000000 0.2703497), wk = 0.0037736 k( 112) = ( 0.0000000 0.0000000 0.2883730), wk = 0.0037736 k( 113) = ( 0.0000000 0.0000000 0.3063963), wk = 0.0037736 k( 114) = ( 0.0000000 0.0000000 0.3244196), wk = 0.0037736 k( 115) = ( 0.0000000 0.0000000 0.3424429), wk = 0.0037736 k( 116) = ( 0.0000000 0.0000000 0.3604663), wk = 0.0037736 k( 117) = ( 0.0000000 0.0000000 0.3784896), wk = 0.0037736 k( 118) = ( 0.0000000 0.0000000 0.3965129), wk = 0.0037736 k( 119) = ( 0.0000000 0.0000000 0.4145362), wk = 0.0037736 k( 120) = ( 0.0000000 0.0000000 0.4325595), wk = 0.0037736 k( 121) = ( 0.0000000 0.0000000 0.4325595), wk = 0.0037736 k( 122) = ( 0.0000000 0.0185185 0.4325595), wk = 0.0037736 k( 123) = ( 0.0000000 0.0370370 0.4325595), wk = 0.0037736 k( 124) = ( 0.0000000 0.0555556 0.4325595), wk = 0.0037736 k( 125) = ( 0.0000000 0.0740741 0.4325595), wk = 0.0037736 k( 126) = ( 0.0000000 0.0925926 0.4325595), wk = 0.0037736 k( 127) = ( 0.0000000 0.1111111 0.4325595), wk = 0.0037736 k( 128) = ( 0.0000000 0.1296296 0.4325595), wk = 0.0037736 k( 129) = ( 0.0000000 0.1481482 0.4325595), wk = 0.0037736 k( 130) = ( 0.0000000 0.1666667 0.4325595), wk = 0.0037736 k( 131) = ( 0.0000000 0.1851852 0.4325595), wk = 0.0037736 k( 132) = ( 0.0000000 0.2037037 0.4325595), wk = 0.0037736 k( 133) = ( 0.0000000 0.2222222 0.4325595), wk = 0.0037736 k( 134) = ( 0.0000000 0.2407407 0.4325595), wk = 0.0037736 k( 135) = ( 0.0000000 0.2592593 0.4325595), wk = 0.0037736 k( 136) = ( 0.0000000 0.2777778 0.4325595), wk = 0.0037736 k( 137) = ( 0.0000000 0.2962963 0.4325595), wk = 0.0037736 k( 138) = ( 0.0000000 0.3148148 0.4325595), wk = 0.0037736 k( 139) = ( 0.0000000 0.3333333 0.4325595), wk = 0.0037736 k( 140) = ( 0.0000000 0.3518519 0.4325595), wk = 0.0037736 k( 141) = ( 0.0000000 0.3703704 0.4325595), wk = 0.0037736 k( 142) = ( 0.0000000 0.3888889 0.4325595), wk = 0.0037736 k( 143) = ( 0.0000000 0.4074074 0.4325595), wk = 0.0037736 k( 144) = ( 0.0000000 0.4259259 0.4325595), wk = 0.0037736 k( 145) = ( 0.0000000 0.4444444 0.4325595), wk = 0.0037736 k( 146) = ( 0.0000000 0.4629630 0.4325595), wk = 0.0037736 k( 147) = ( 0.0000000 0.4814815 0.4325595), wk = 0.0037736 k( 148) = ( 0.0000000 0.5000000 0.4325595), wk = 0.0037736 k( 149) = ( 0.0000000 0.5000000 0.4325595), wk = 0.0037736 k( 150) = ( 0.0185185 0.5000000 0.4325595), wk = 0.0037736 k( 151) = ( 0.0370370 0.5000000 0.4325595), wk = 0.0037736 k( 152) = ( 0.0555556 0.5000000 0.4325595), wk = 0.0037736 k( 153) = ( 0.0740741 0.5000000 0.4325595), wk = 0.0037736 k( 154) = ( 0.0925926 0.5000000 0.4325595), wk = 0.0037736 k( 155) = ( 0.1111111 0.5000000 0.4325595), wk = 0.0037736 k( 156) = ( 0.1296296 0.5000000 0.4325595), wk = 0.0037736 k( 157) = ( 0.1481482 0.5000000 0.4325595), wk = 0.0037736 k( 158) = ( 0.1666667 0.5000000 0.4325595), wk = 0.0037736 k( 159) = ( 0.1851852 0.5000000 0.4325595), wk = 0.0037736 k( 160) = ( 0.2037037 0.5000000 0.4325595), wk = 0.0037736 k( 161) = ( 0.2222222 0.5000000 0.4325595), wk = 0.0037736 k( 162) = ( 0.2407407 0.5000000 0.4325595), wk = 0.0037736 k( 163) = ( 0.2592593 0.5000000 0.4325595), wk = 0.0037736 k( 164) = ( 0.2777778 0.5000000 0.4325595), wk = 0.0037736 k( 165) = ( 0.2962963 0.5000000 0.4325595), wk = 0.0037736 k( 166) = ( 0.3148148 0.5000000 0.4325595), wk = 0.0037736 k( 167) = ( 0.3333333 0.5000000 0.4325595), wk = 0.0037736 k( 168) = ( 0.3518519 0.5000000 0.4325595), wk = 0.0037736 k( 169) = ( 0.3703704 0.5000000 0.4325595), wk = 0.0037736 k( 170) = ( 0.3888889 0.5000000 0.4325595), wk = 0.0037736 k( 171) = ( 0.4074074 0.5000000 0.4325595), wk = 0.0037736 k( 172) = ( 0.4259259 0.5000000 0.4325595), wk = 0.0037736 k( 173) = ( 0.4444444 0.5000000 0.4325595), wk = 0.0037736 k( 174) = ( 0.4629630 0.5000000 0.4325595), wk = 0.0037736 k( 175) = ( 0.4814815 0.5000000 0.4325595), wk = 0.0037736 k( 176) = ( 0.5000000 0.5000000 0.4325595), wk = 0.0037736 k( 177) = ( 0.5000000 0.5000000 0.4325595), wk = 0.0037736 k( 178) = ( 0.4868421 0.4868421 0.4325595), wk = 0.0037736 k( 179) = ( 0.4736842 0.4736842 0.4325595), wk = 0.0037736 k( 180) = ( 0.4605263 0.4605263 0.4325595), wk = 0.0037736 k( 181) = ( 0.4473684 0.4473684 0.4325595), wk = 0.0037736 k( 182) = ( 0.4342105 0.4342105 0.4325595), wk = 0.0037736 k( 183) = ( 0.4210526 0.4210526 0.4325595), wk = 0.0037736 k( 184) = ( 0.4078947 0.4078947 0.4325595), wk = 0.0037736 k( 185) = ( 0.3947368 0.3947368 0.4325595), wk = 0.0037736 k( 186) = ( 0.3815789 0.3815789 0.4325595), wk = 0.0037736 k( 187) = ( 0.3684211 0.3684210 0.4325595), wk = 0.0037736 k( 188) = ( 0.3552632 0.3552632 0.4325595), wk = 0.0037736 k( 189) = ( 0.3421053 0.3421053 0.4325595), wk = 0.0037736 k( 190) = ( 0.3289474 0.3289474 0.4325595), wk = 0.0037736 k( 191) = ( 0.3157895 0.3157895 0.4325595), wk = 0.0037736 k( 192) = ( 0.3026316 0.3026316 0.4325595), wk = 0.0037736 k( 193) = ( 0.2894737 0.2894737 0.4325595), wk = 0.0037736 k( 194) = ( 0.2763158 0.2763158 0.4325595), wk = 0.0037736 k( 195) = ( 0.2631579 0.2631579 0.4325595), wk = 0.0037736 k( 196) = ( 0.2500000 0.2500000 0.4325595), wk = 0.0037736 k( 197) = ( 0.2368421 0.2368421 0.4325595), wk = 0.0037736 k( 198) = ( 0.2236842 0.2236842 0.4325595), wk = 0.0037736 k( 199) = ( 0.2105263 0.2105263 0.4325595), wk = 0.0037736 k( 200) = ( 0.1973684 0.1973684 0.4325595), wk = 0.0037736 k( 201) = ( 0.1842105 0.1842105 0.4325595), wk = 0.0037736 k( 202) = ( 0.1710526 0.1710526 0.4325595), wk = 0.0037736 k( 203) = ( 0.1578947 0.1578947 0.4325595), wk = 0.0037736 k( 204) = ( 0.1447368 0.1447368 0.4325595), wk = 0.0037736 k( 205) = ( 0.1315790 0.1315790 0.4325595), wk = 0.0037736 k( 206) = ( 0.1184210 0.1184210 0.4325595), wk = 0.0037736 k( 207) = ( 0.1052632 0.1052632 0.4325595), wk = 0.0037736 k( 208) = ( 0.0921053 0.0921053 0.4325595), wk = 0.0037736 k( 209) = ( 0.0789474 0.0789474 0.4325595), wk = 0.0037736 k( 210) = ( 0.0657895 0.0657895 0.4325595), wk = 0.0037736 k( 211) = ( 0.0526316 0.0526316 0.4325595), wk = 0.0037736 k( 212) = ( 0.0394737 0.0394737 0.4325595), wk = 0.0037736 k( 213) = ( 0.0263158 0.0263158 0.4325595), wk = 0.0037736 k( 214) = ( 0.0131579 0.0131579 0.4325595), wk = 0.0037736 k( 215) = ( 0.0000000 0.0000000 0.4325595), wk = 0.0037736 k( 216) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037736 k( 217) = ( 0.0000000 0.5000000 0.0180233), wk = 0.0037736 k( 218) = ( 0.0000000 0.5000000 0.0360466), wk = 0.0037736 k( 219) = ( 0.0000000 0.5000000 0.0540699), wk = 0.0037736 k( 220) = ( 0.0000000 0.5000000 0.0720932), wk = 0.0037736 k( 221) = ( 0.0000000 0.5000000 0.0901166), wk = 0.0037736 k( 222) = ( 0.0000000 0.5000000 0.1081399), wk = 0.0037736 k( 223) = ( 0.0000000 0.5000000 0.1261632), wk = 0.0037736 k( 224) = ( 0.0000000 0.5000000 0.1441865), wk = 0.0037736 k( 225) = ( 0.0000000 0.5000000 0.1622098), wk = 0.0037736 k( 226) = ( 0.0000000 0.5000000 0.1802331), wk = 0.0037736 k( 227) = ( 0.0000000 0.5000000 0.1982564), wk = 0.0037736 k( 228) = ( 0.0000000 0.5000000 0.2162798), wk = 0.0037736 k( 229) = ( 0.0000000 0.5000000 0.2343031), wk = 0.0037736 k( 230) = ( 0.0000000 0.5000000 0.2523264), wk = 0.0037736 k( 231) = ( 0.0000000 0.5000000 0.2703497), wk = 0.0037736 k( 232) = ( 0.0000000 0.5000000 0.2883730), wk = 0.0037736 k( 233) = ( 0.0000000 0.5000000 0.3063963), wk = 0.0037736 k( 234) = ( 0.0000000 0.5000000 0.3244196), wk = 0.0037736 k( 235) = ( 0.0000000 0.5000000 0.3424429), wk = 0.0037736 k( 236) = ( 0.0000000 0.5000000 0.3604663), wk = 0.0037736 k( 237) = ( 0.0000000 0.5000000 0.3784896), wk = 0.0037736 k( 238) = ( 0.0000000 0.5000000 0.3965129), wk = 0.0037736 k( 239) = ( 0.0000000 0.5000000 0.4145362), wk = 0.0037736 k( 240) = ( 0.0000000 0.5000000 0.4325595), wk = 0.0037736 k( 241) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037736 k( 242) = ( 0.5000000 0.5000000 0.0180233), wk = 0.0037736 k( 243) = ( 0.5000000 0.5000000 0.0360466), wk = 0.0037736 k( 244) = ( 0.5000000 0.5000000 0.0540699), wk = 0.0037736 k( 245) = ( 0.5000000 0.5000000 0.0720932), wk = 0.0037736 k( 246) = ( 0.5000000 0.5000000 0.0901166), wk = 0.0037736 k( 247) = ( 0.5000000 0.5000000 0.1081399), wk = 0.0037736 k( 248) = ( 0.5000000 0.5000000 0.1261632), wk = 0.0037736 k( 249) = ( 0.5000000 0.5000000 0.1441865), wk = 0.0037736 k( 250) = ( 0.5000000 0.5000000 0.1622098), wk = 0.0037736 k( 251) = ( 0.5000000 0.5000000 0.1802331), wk = 0.0037736 k( 252) = ( 0.5000000 0.5000000 0.1982564), wk = 0.0037736 k( 253) = ( 0.5000000 0.5000000 0.2162798), wk = 0.0037736 k( 254) = ( 0.5000000 0.5000000 0.2343031), wk = 0.0037736 k( 255) = ( 0.5000000 0.5000000 0.2523264), wk = 0.0037736 k( 256) = ( 0.5000000 0.5000000 0.2703497), wk = 0.0037736 k( 257) = ( 0.5000000 0.5000000 0.2883730), wk = 0.0037736 k( 258) = ( 0.5000000 0.5000000 0.3063963), wk = 0.0037736 k( 259) = ( 0.5000000 0.5000000 0.3244196), wk = 0.0037736 k( 260) = ( 0.5000000 0.5000000 0.3424429), wk = 0.0037736 k( 261) = ( 0.5000000 0.5000000 0.3604663), wk = 0.0037736 k( 262) = ( 0.5000000 0.5000000 0.3784896), wk = 0.0037736 k( 263) = ( 0.5000000 0.5000000 0.3965129), wk = 0.0037736 k( 264) = ( 0.5000000 0.5000000 0.4145362), wk = 0.0037736 k( 265) = ( 0.5000000 0.5000000 0.4325595), wk = 0.0037736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 2) = ( 0.0000000 0.0185185 -0.0000000), wk = 0.0037736 k( 3) = ( 0.0000000 0.0370370 -0.0000000), wk = 0.0037736 k( 4) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0037736 k( 5) = ( 0.0000000 0.0740741 -0.0000000), wk = 0.0037736 k( 6) = ( 0.0000000 0.0925926 -0.0000000), wk = 0.0037736 k( 7) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0037736 k( 8) = ( 0.0000000 0.1296296 -0.0000000), wk = 0.0037736 k( 9) = ( 0.0000000 0.1481482 -0.0000000), wk = 0.0037736 k( 10) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0037736 k( 11) = ( 0.0000000 0.1851852 -0.0000000), wk = 0.0037736 k( 12) = ( 0.0000000 0.2037037 -0.0000000), wk = 0.0037736 k( 13) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0037736 k( 14) = ( 0.0000000 0.2407407 0.0000000), wk = 0.0037736 k( 15) = ( 0.0000000 0.2592593 -0.0000000), wk = 0.0037736 k( 16) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0037736 k( 17) = ( 0.0000000 0.2962963 -0.0000000), wk = 0.0037736 k( 18) = ( 0.0000000 0.3148148 -0.0000000), wk = 0.0037736 k( 19) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0037736 k( 20) = ( 0.0000000 0.3518519 -0.0000000), wk = 0.0037736 k( 21) = ( 0.0000000 0.3703704 -0.0000000), wk = 0.0037736 k( 22) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0037736 k( 23) = ( 0.0000000 0.4074074 0.0000000), wk = 0.0037736 k( 24) = ( 0.0000000 0.4259259 0.0000000), wk = 0.0037736 k( 25) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0037736 k( 26) = ( 0.0000000 0.4629630 -0.0000000), wk = 0.0037736 k( 27) = ( 0.0000000 0.4814815 0.0000000), wk = 0.0037736 k( 28) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037736 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037736 k( 30) = ( 0.0185185 0.5000000 0.0000000), wk = 0.0037736 k( 31) = ( 0.0370370 0.5000000 -0.0000000), wk = 0.0037736 k( 32) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0037736 k( 33) = ( 0.0740741 0.5000000 0.0000000), wk = 0.0037736 k( 34) = ( 0.0925926 0.5000000 -0.0000000), wk = 0.0037736 k( 35) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0037736 k( 36) = ( 0.1296296 0.5000000 0.0000000), wk = 0.0037736 k( 37) = ( 0.1481482 0.5000000 -0.0000000), wk = 0.0037736 k( 38) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0037736 k( 39) = ( 0.1851852 0.5000000 -0.0000000), wk = 0.0037736 k( 40) = ( 0.2037037 0.5000000 -0.0000000), wk = 0.0037736 k( 41) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0037736 k( 42) = ( 0.2407407 0.5000000 -0.0000000), wk = 0.0037736 k( 43) = ( 0.2592593 0.5000000 -0.0000000), wk = 0.0037736 k( 44) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0037736 k( 45) = ( 0.2962963 0.5000000 -0.0000000), wk = 0.0037736 k( 46) = ( 0.3148148 0.5000000 -0.0000000), wk = 0.0037736 k( 47) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0037736 k( 48) = ( 0.3518519 0.5000000 -0.0000000), wk = 0.0037736 k( 49) = ( 0.3703704 0.5000000 -0.0000000), wk = 0.0037736 k( 50) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0037736 k( 51) = ( 0.4074074 0.5000000 -0.0000000), wk = 0.0037736 k( 52) = ( 0.4259259 0.5000000 -0.0000000), wk = 0.0037736 k( 53) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0037736 k( 54) = ( 0.4629630 0.5000000 -0.0000000), wk = 0.0037736 k( 55) = ( 0.4814815 0.5000000 -0.0000000), wk = 0.0037736 k( 56) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037736 k( 57) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037736 k( 58) = ( 0.4868421 0.4868421 -0.0000000), wk = 0.0037736 k( 59) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0037736 k( 60) = ( 0.4605263 0.4605263 -0.0000000), wk = 0.0037736 k( 61) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0037736 k( 62) = ( 0.4342105 0.4342105 -0.0000000), wk = 0.0037736 k( 63) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0037736 k( 64) = ( 0.4078947 0.4078947 -0.0000000), wk = 0.0037736 k( 65) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0037736 k( 66) = ( 0.3815789 0.3815789 -0.0000000), wk = 0.0037736 k( 67) = ( 0.3684211 0.3684211 -0.0000000), wk = 0.0037736 k( 68) = ( 0.3552632 0.3552632 -0.0000000), wk = 0.0037736 k( 69) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0037736 k( 70) = ( 0.3289474 0.3289474 -0.0000000), wk = 0.0037736 k( 71) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0037736 k( 72) = ( 0.3026316 0.3026316 -0.0000000), wk = 0.0037736 k( 73) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0037736 k( 74) = ( 0.2763158 0.2763158 -0.0000000), wk = 0.0037736 k( 75) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0037736 k( 76) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0037736 k( 77) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0037736 k( 78) = ( 0.2236842 0.2236842 -0.0000000), wk = 0.0037736 k( 79) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0037736 k( 80) = ( 0.1973684 0.1973684 -0.0000000), wk = 0.0037736 k( 81) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0037736 k( 82) = ( 0.1710526 0.1710526 -0.0000000), wk = 0.0037736 k( 83) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0037736 k( 84) = ( 0.1447368 0.1447368 0.0000000), wk = 0.0037736 k( 85) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0037736 k( 86) = ( 0.1184210 0.1184210 -0.0000000), wk = 0.0037736 k( 87) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0037736 k( 88) = ( 0.0921053 0.0921053 0.0000000), wk = 0.0037736 k( 89) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0037736 k( 90) = ( 0.0657895 0.0657895 -0.0000000), wk = 0.0037736 k( 91) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0037736 k( 92) = ( 0.0394737 0.0394737 -0.0000000), wk = 0.0037736 k( 93) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0037736 k( 94) = ( 0.0131579 0.0131579 -0.0000000), wk = 0.0037736 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037736 k( 97) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0037736 k( 98) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0037736 k( 99) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0037736 k( 100) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0037736 k( 101) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0037736 k( 102) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0037736 k( 103) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0037736 k( 104) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0037736 k( 105) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0037736 k( 106) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0037736 k( 107) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0037736 k( 108) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0037736 k( 109) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0037736 k( 110) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0037736 k( 111) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0037736 k( 112) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0037736 k( 113) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0037736 k( 114) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0037736 k( 115) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0037736 k( 116) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0037736 k( 117) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0037736 k( 118) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0037736 k( 119) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0037736 k( 120) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037736 k( 121) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037736 k( 122) = ( 0.0000000 0.0185185 0.5000000), wk = 0.0037736 k( 123) = ( 0.0000000 0.0370370 0.5000000), wk = 0.0037736 k( 124) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0037736 k( 125) = ( 0.0000000 0.0740741 0.5000000), wk = 0.0037736 k( 126) = ( 0.0000000 0.0925926 0.5000000), wk = 0.0037736 k( 127) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0037736 k( 128) = ( 0.0000000 0.1296296 0.5000000), wk = 0.0037736 k( 129) = ( 0.0000000 0.1481482 0.5000000), wk = 0.0037736 k( 130) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0037736 k( 131) = ( 0.0000000 0.1851852 0.5000000), wk = 0.0037736 k( 132) = ( 0.0000000 0.2037037 0.5000000), wk = 0.0037736 k( 133) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0037736 k( 134) = ( 0.0000000 0.2407407 0.5000000), wk = 0.0037736 k( 135) = ( 0.0000000 0.2592593 0.5000000), wk = 0.0037736 k( 136) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0037736 k( 137) = ( 0.0000000 0.2962963 0.5000000), wk = 0.0037736 k( 138) = ( 0.0000000 0.3148148 0.5000000), wk = 0.0037736 k( 139) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0037736 k( 140) = ( 0.0000000 0.3518519 0.5000000), wk = 0.0037736 k( 141) = ( 0.0000000 0.3703704 0.5000000), wk = 0.0037736 k( 142) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0037736 k( 143) = ( 0.0000000 0.4074074 0.5000000), wk = 0.0037736 k( 144) = ( 0.0000000 0.4259259 0.5000000), wk = 0.0037736 k( 145) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0037736 k( 146) = ( 0.0000000 0.4629630 0.5000000), wk = 0.0037736 k( 147) = ( 0.0000000 0.4814815 0.5000000), wk = 0.0037736 k( 148) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037736 k( 149) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037736 k( 150) = ( 0.0185185 0.5000000 0.5000000), wk = 0.0037736 k( 151) = ( 0.0370370 0.5000000 0.5000000), wk = 0.0037736 k( 152) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0037736 k( 153) = ( 0.0740741 0.5000000 0.5000000), wk = 0.0037736 k( 154) = ( 0.0925926 0.5000000 0.5000000), wk = 0.0037736 k( 155) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0037736 k( 156) = ( 0.1296296 0.5000000 0.5000000), wk = 0.0037736 k( 157) = ( 0.1481482 0.5000000 0.5000000), wk = 0.0037736 k( 158) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0037736 k( 159) = ( 0.1851852 0.5000000 0.5000000), wk = 0.0037736 k( 160) = ( 0.2037037 0.5000000 0.5000000), wk = 0.0037736 k( 161) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0037736 k( 162) = ( 0.2407407 0.5000000 0.5000000), wk = 0.0037736 k( 163) = ( 0.2592593 0.5000000 0.5000000), wk = 0.0037736 k( 164) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0037736 k( 165) = ( 0.2962963 0.5000000 0.5000000), wk = 0.0037736 k( 166) = ( 0.3148148 0.5000000 0.5000000), wk = 0.0037736 k( 167) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0037736 k( 168) = ( 0.3518519 0.5000000 0.5000000), wk = 0.0037736 k( 169) = ( 0.3703704 0.5000000 0.5000000), wk = 0.0037736 k( 170) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0037736 k( 171) = ( 0.4074074 0.5000000 0.5000000), wk = 0.0037736 k( 172) = ( 0.4259259 0.5000000 0.5000000), wk = 0.0037736 k( 173) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0037736 k( 174) = ( 0.4629630 0.5000000 0.5000000), wk = 0.0037736 k( 175) = ( 0.4814815 0.5000000 0.5000000), wk = 0.0037736 k( 176) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 177) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 k( 178) = ( 0.4868421 0.4868421 0.5000000), wk = 0.0037736 k( 179) = ( 0.4736842 0.4736842 0.5000000), wk = 0.0037736 k( 180) = ( 0.4605263 0.4605263 0.5000000), wk = 0.0037736 k( 181) = ( 0.4473684 0.4473684 0.5000000), wk = 0.0037736 k( 182) = ( 0.4342105 0.4342105 0.5000000), wk = 0.0037736 k( 183) = ( 0.4210526 0.4210526 0.5000000), wk = 0.0037736 k( 184) = ( 0.4078947 0.4078947 0.5000000), wk = 0.0037736 k( 185) = ( 0.3947368 0.3947368 0.5000000), wk = 0.0037736 k( 186) = ( 0.3815789 0.3815789 0.5000000), wk = 0.0037736 k( 187) = ( 0.3684211 0.3684211 0.5000000), wk = 0.0037736 k( 188) = ( 0.3552632 0.3552632 0.5000000), wk = 0.0037736 k( 189) = ( 0.3421053 0.3421053 0.5000000), wk = 0.0037736 k( 190) = ( 0.3289474 0.3289474 0.5000000), wk = 0.0037736 k( 191) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0037736 k( 192) = ( 0.3026316 0.3026316 0.5000000), wk = 0.0037736 k( 193) = ( 0.2894737 0.2894737 0.5000000), wk = 0.0037736 k( 194) = ( 0.2763158 0.2763158 0.5000000), wk = 0.0037736 k( 195) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0037736 k( 196) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0037736 k( 197) = ( 0.2368421 0.2368421 0.5000000), wk = 0.0037736 k( 198) = ( 0.2236842 0.2236842 0.5000000), wk = 0.0037736 k( 199) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0037736 k( 200) = ( 0.1973684 0.1973684 0.5000000), wk = 0.0037736 k( 201) = ( 0.1842105 0.1842105 0.5000000), wk = 0.0037736 k( 202) = ( 0.1710526 0.1710526 0.5000000), wk = 0.0037736 k( 203) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0037736 k( 204) = ( 0.1447368 0.1447368 0.5000000), wk = 0.0037736 k( 205) = ( 0.1315790 0.1315790 0.5000000), wk = 0.0037736 k( 206) = ( 0.1184210 0.1184210 0.5000000), wk = 0.0037736 k( 207) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0037736 k( 208) = ( 0.0921053 0.0921053 0.5000000), wk = 0.0037736 k( 209) = ( 0.0789474 0.0789474 0.5000000), wk = 0.0037736 k( 210) = ( 0.0657895 0.0657895 0.5000000), wk = 0.0037736 k( 211) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0037736 k( 212) = ( 0.0394737 0.0394737 0.5000000), wk = 0.0037736 k( 213) = ( 0.0263158 0.0263158 0.5000000), wk = 0.0037736 k( 214) = ( 0.0131579 0.0131579 0.5000000), wk = 0.0037736 k( 215) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037736 k( 216) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037736 k( 217) = ( 0.0000000 0.5000000 0.0208333), wk = 0.0037736 k( 218) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0037736 k( 219) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0037736 k( 220) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0037736 k( 221) = ( 0.0000000 0.5000000 0.1041667), wk = 0.0037736 k( 222) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0037736 k( 223) = ( 0.0000000 0.5000000 0.1458333), wk = 0.0037736 k( 224) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0037736 k( 225) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0037736 k( 226) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0037736 k( 227) = ( 0.0000000 0.5000000 0.2291667), wk = 0.0037736 k( 228) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0037736 k( 229) = ( 0.0000000 0.5000000 0.2708333), wk = 0.0037736 k( 230) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0037736 k( 231) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0037736 k( 232) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0037736 k( 233) = ( 0.0000000 0.5000000 0.3541667), wk = 0.0037736 k( 234) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0037736 k( 235) = ( 0.0000000 0.5000000 0.3958333), wk = 0.0037736 k( 236) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0037736 k( 237) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0037736 k( 238) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0037736 k( 239) = ( 0.0000000 0.5000000 0.4791667), wk = 0.0037736 k( 240) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037736 k( 241) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037736 k( 242) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0037736 k( 243) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0037736 k( 244) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0037736 k( 245) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0037736 k( 246) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0037736 k( 247) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0037736 k( 248) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0037736 k( 249) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0037736 k( 250) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0037736 k( 251) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0037736 k( 252) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0037736 k( 253) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0037736 k( 254) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0037736 k( 255) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0037736 k( 256) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0037736 k( 257) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0037736 k( 258) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0037736 k( 259) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0037736 k( 260) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0037736 k( 261) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0037736 k( 262) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0037736 k( 263) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0037736 k( 264) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0037736 k( 265) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037736 Dense grid: 66043 G-vectors FFT dimensions: ( 48, 48, 60) Smooth grid: 62835 G-vectors FFT dimensions: ( 48, 48, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 224, 76) NL pseudopotentials 0.70 Mb ( 112, 408) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 919) G-vector shells 0.00 Mb ( 455) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.04 Mb ( 224, 304) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.95 Mb ( 408, 2, 76) The potential is recalculated from file : ./SiS2.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.1 secs Computing kpt #: 2 total cpu time spent up to now is 11.5 secs Computing kpt #: 3 total cpu time spent up to now is 15.1 secs Computing kpt #: 4 total cpu time spent up to now is 18.5 secs Computing kpt #: 5 total cpu time spent up to now is 22.0 secs Computing kpt #: 6 total cpu time spent up to now is 24.8 secs Computing kpt #: 7 total cpu time spent up to now is 28.9 secs Computing kpt #: 8 total cpu time spent up to now is 32.2 secs Computing kpt #: 9 total cpu time spent up to now is 35.6 secs Computing kpt #: 10 total cpu time spent up to now is 39.7 secs Computing kpt #: 11 total cpu time spent up to now is 44.7 secs Computing kpt #: 12 total cpu time spent up to now is 48.9 secs Computing kpt #: 13 total cpu time spent up to now is 53.0 secs Computing kpt #: 14 total cpu time spent up to now is 57.9 secs Computing kpt #: 15 total cpu time spent up to now is 62.1 secs Computing kpt #: 16 total cpu time spent up to now is 66.8 secs Computing kpt #: 17 total cpu time spent up to now is 71.4 secs Computing kpt #: 18 total cpu time spent up to now is 76.3 secs Computing kpt #: 19 total cpu time spent up to now is 81.1 secs Computing kpt #: 20 total cpu time spent up to now is 85.7 secs Computing kpt #: 21 total cpu time spent up to now is 90.3 secs Computing kpt #: 22 total cpu time spent up to now is 95.3 secs Computing kpt #: 23 total cpu time spent up to now is 100.2 secs Computing kpt #: 24 total cpu time spent up to now is 105.6 secs Computing kpt #: 25 total cpu time spent up to now is 110.4 secs Computing kpt #: 26 total cpu time spent up to now is 115.3 secs Computing kpt #: 27 total cpu time spent up to now is 119.7 secs Computing kpt #: 28 total cpu time spent up to now is 124.4 secs Computing kpt #: 29 total cpu time spent up to now is 129.3 secs Computing kpt #: 30 total cpu time spent up to now is 133.7 secs Computing kpt #: 31 total cpu time spent up to now is 138.3 secs Computing kpt #: 32 total cpu time spent up to now is 143.5 secs Computing kpt #: 33 total cpu time spent up to now is 148.1 secs Computing kpt #: 34 total cpu time spent up to now is 152.0 secs Computing kpt #: 35 total cpu time spent up to now is 156.1 secs Computing kpt #: 36 total cpu time spent up to now is 160.0 secs Computing kpt #: 37 total cpu time spent up to now is 164.0 secs Computing kpt #: 38 total cpu time spent up to now is 168.2 secs Computing kpt #: 39 total cpu time spent up to now is 172.2 secs Computing kpt #: 40 total cpu time spent up to now is 176.2 secs Computing kpt #: 41 total cpu time spent up to now is 180.4 secs Computing kpt #: 42 total cpu time spent up to now is 184.2 secs Computing kpt #: 43 total cpu time spent up to now is 188.5 secs Computing kpt #: 44 total cpu time spent up to now is 193.0 secs Computing kpt #: 45 total cpu time spent up to now is 197.2 secs Computing kpt #: 46 total cpu time spent up to now is 201.3 secs Computing kpt #: 47 total cpu time spent up to now is 205.8 secs Computing kpt #: 48 total cpu time spent up to now is 210.0 secs Computing kpt #: 49 total cpu time spent up to now is 214.5 secs Computing kpt #: 50 total cpu time spent up to now is 219.0 secs Computing kpt #: 51 total cpu time spent up to now is 224.1 secs Computing kpt #: 52 total cpu time spent up to now is 228.8 secs Computing kpt #: 53 total cpu time spent up to now is 233.1 secs Computing kpt #: 54 total cpu time spent up to now is 239.2 secs Computing kpt #: 55 total cpu time spent up to now is 245.7 secs Computing kpt #: 56 total cpu time spent up to now is 250.9 secs Computing kpt #: 57 total cpu time spent up to now is 257.0 secs Computing kpt #: 58 total cpu time spent up to now is 262.4 secs Computing kpt #: 59 total cpu time spent up to now is 269.0 secs Computing kpt #: 60 total cpu time spent up to now is 273.9 secs Computing kpt #: 61 total cpu time spent up to now is 278.5 secs Computing kpt #: 62 total cpu time spent up to now is 283.4 secs Computing kpt #: 63 total cpu time spent up to now is 287.7 secs Computing kpt #: 64 total cpu time spent up to now is 292.7 secs Computing kpt #: 65 total cpu time spent up to now is 296.8 secs Computing kpt #: 66 total cpu time spent up to now is 301.0 secs Computing kpt #: 67 total cpu time spent up to now is 305.1 secs Computing kpt #: 68 total cpu time spent up to now is 309.3 secs Computing kpt #: 69 total cpu time spent up to now is 313.4 secs Computing kpt #: 70 total cpu time spent up to now is 317.1 secs Computing kpt #: 71 total cpu time spent up to now is 320.9 secs Computing kpt #: 72 total cpu time spent up to now is 324.8 secs Computing kpt #: 73 total cpu time spent up to now is 328.7 secs Computing kpt #: 74 total cpu time spent up to now is 332.0 secs Computing kpt #: 75 total cpu time spent up to now is 335.8 secs Computing kpt #: 76 total cpu time spent up to now is 339.0 secs Computing kpt #: 77 total cpu time spent up to now is 342.7 secs Computing kpt #: 78 total cpu time spent up to now is 346.2 secs Computing kpt #: 79 total cpu time spent up to now is 349.4 secs Computing kpt #: 80 total cpu time spent up to now is 353.7 secs Computing kpt #: 81 total cpu time spent up to now is 357.0 secs Computing kpt #: 82 total cpu time spent up to now is 360.2 secs Computing kpt #: 83 total cpu time spent up to now is 363.4 secs Computing kpt #: 84 total cpu time spent up to now is 366.7 secs Computing kpt #: 85 total cpu time spent up to now is 369.9 secs Computing kpt #: 86 total cpu time spent up to now is 373.8 secs Computing kpt #: 87 total cpu time spent up to now is 377.1 secs Computing kpt #: 88 total cpu time spent up to now is 380.8 secs Computing kpt #: 89 total cpu time spent up to now is 384.6 secs Computing kpt #: 90 total cpu time spent up to now is 388.1 secs Computing kpt #: 91 total cpu time spent up to now is 392.3 secs Computing kpt #: 92 total cpu time spent up to now is 396.7 secs Computing kpt #: 93 total cpu time spent up to now is 400.3 secs Computing kpt #: 94 total cpu time spent up to now is 404.3 secs Computing kpt #: 95 total cpu time spent up to now is 407.6 secs Computing kpt #: 96 total cpu time spent up to now is 410.6 secs Computing kpt #: 97 total cpu time spent up to now is 413.6 secs Computing kpt #: 98 total cpu time spent up to now is 418.0 secs Computing kpt #: 99 total cpu time spent up to now is 422.8 secs Computing kpt #: 100 total cpu time spent up to now is 426.7 secs Computing kpt #: 101 total cpu time spent up to now is 430.6 secs Computing kpt #: 102 total cpu time spent up to now is 435.0 secs Computing kpt #: 103 total cpu time spent up to now is 439.4 secs Computing kpt #: 104 total cpu time spent up to now is 442.4 secs Computing kpt #: 105 total cpu time spent up to now is 445.4 secs Computing kpt #: 106 total cpu time spent up to now is 448.9 secs Computing kpt #: 107 total cpu time spent up to now is 452.6 secs Computing kpt #: 108 total cpu time spent up to now is 456.1 secs Computing kpt #: 109 total cpu time spent up to now is 459.5 secs Computing kpt #: 110 total cpu time spent up to now is 462.8 secs Computing kpt #: 111 total cpu time spent up to now is 466.4 secs Computing kpt #: 112 total cpu time spent up to now is 469.8 secs Computing kpt #: 113 total cpu time spent up to now is 474.2 secs Computing kpt #: 114 total cpu time spent up to now is 477.7 secs Computing kpt #: 115 total cpu time spent up to now is 481.1 secs Computing kpt #: 116 total cpu time spent up to now is 485.0 secs Computing kpt #: 117 total cpu time spent up to now is 488.9 secs Computing kpt #: 118 total cpu time spent up to now is 492.3 secs Computing kpt #: 119 total cpu time spent up to now is 495.4 secs Computing kpt #: 120 total cpu time spent up to now is 498.7 secs Computing kpt #: 121 total cpu time spent up to now is 502.6 secs Computing kpt #: 122 total cpu time spent up to now is 505.4 secs Computing kpt #: 123 total cpu time spent up to now is 508.3 secs Computing kpt #: 124 total cpu time spent up to now is 511.0 secs Computing kpt #: 125 total cpu time spent up to now is 514.1 secs Computing kpt #: 126 total cpu time spent up to now is 517.3 secs Computing kpt #: 127 total cpu time spent up to now is 520.1 secs Computing kpt #: 128 total cpu time spent up to now is 523.6 secs Computing kpt #: 129 total cpu time spent up to now is 526.5 secs Computing kpt #: 130 total cpu time spent up to now is 529.3 secs Computing kpt #: 131 total cpu time spent up to now is 532.1 secs Computing kpt #: 132 total cpu time spent up to now is 535.6 secs Computing kpt #: 133 total cpu time spent up to now is 538.6 secs Computing kpt #: 134 total cpu time spent up to now is 541.2 secs Computing kpt #: 135 total cpu time spent up to now is 543.9 secs Computing kpt #: 136 total cpu time spent up to now is 547.0 secs Computing kpt #: 137 total cpu time spent up to now is 550.2 secs Computing kpt #: 138 total cpu time spent up to now is 552.9 secs Computing kpt #: 139 total cpu time spent up to now is 555.9 secs Computing kpt #: 140 total cpu time spent up to now is 559.1 secs Computing kpt #: 141 total cpu time spent up to now is 562.3 secs Computing kpt #: 142 total cpu time spent up to now is 565.4 secs Computing kpt #: 143 total cpu time spent up to now is 569.3 secs Computing kpt #: 144 total cpu time spent up to now is 573.5 secs Computing kpt #: 145 total cpu time spent up to now is 578.1 secs Computing kpt #: 146 total cpu time spent up to now is 583.2 secs Computing kpt #: 147 total cpu time spent up to now is 588.7 secs Computing kpt #: 148 total cpu time spent up to now is 593.3 secs Computing kpt #: 149 total cpu time spent up to now is 597.1 secs Computing kpt #: 150 total cpu time spent up to now is 602.1 secs Computing kpt #: 151 total cpu time spent up to now is 606.2 secs Computing kpt #: 152 total cpu time spent up to now is 610.1 secs Computing kpt #: 153 total cpu time spent up to now is 614.0 secs Computing kpt #: 154 total cpu time spent up to now is 617.6 secs Computing kpt #: 155 total cpu time spent up to now is 621.9 secs Computing kpt #: 156 total cpu time spent up to now is 625.8 secs Computing kpt #: 157 total cpu time spent up to now is 629.7 secs Computing kpt #: 158 total cpu time spent up to now is 633.4 secs Computing kpt #: 159 total cpu time spent up to now is 638.6 secs Computing kpt #: 160 total cpu time spent up to now is 642.5 secs Computing kpt #: 161 total cpu time spent up to now is 645.9 secs Computing kpt #: 162 total cpu time spent up to now is 650.0 secs Computing kpt #: 163 total cpu time spent up to now is 653.4 secs Computing kpt #: 164 total cpu time spent up to now is 656.7 secs Computing kpt #: 165 total cpu time spent up to now is 660.2 secs Computing kpt #: 166 total cpu time spent up to now is 663.9 secs Computing kpt #: 167 total cpu time spent up to now is 667.8 secs Computing kpt #: 168 total cpu time spent up to now is 671.8 secs Computing kpt #: 169 total cpu time spent up to now is 675.4 secs Computing kpt #: 170 total cpu time spent up to now is 679.3 secs Computing kpt #: 171 total cpu time spent up to now is 683.2 secs Computing kpt #: 172 total cpu time spent up to now is 687.1 secs Computing kpt #: 173 total cpu time spent up to now is 691.0 secs Computing kpt #: 174 total cpu time spent up to now is 695.3 secs Computing kpt #: 175 total cpu time spent up to now is 700.4 secs Computing kpt #: 176 total cpu time spent up to now is 704.7 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 713.6 secs Computing kpt #: 178 total cpu time spent up to now is 717.9 secs Computing kpt #: 179 total cpu time spent up to now is 721.9 secs Computing kpt #: 180 total cpu time spent up to now is 726.0 secs Computing kpt #: 181 total cpu time spent up to now is 729.8 secs Computing kpt #: 182 total cpu time spent up to now is 733.5 secs Computing kpt #: 183 total cpu time spent up to now is 738.8 secs Computing kpt #: 184 total cpu time spent up to now is 742.3 secs Computing kpt #: 185 total cpu time spent up to now is 745.5 secs Computing kpt #: 186 total cpu time spent up to now is 749.9 secs Computing kpt #: 187 total cpu time spent up to now is 753.8 secs Computing kpt #: 188 total cpu time spent up to now is 757.5 secs Computing kpt #: 189 total cpu time spent up to now is 761.0 secs Computing kpt #: 190 total cpu time spent up to now is 764.9 secs Computing kpt #: 191 total cpu time spent up to now is 768.7 secs Computing kpt #: 192 total cpu time spent up to now is 772.9 secs Computing kpt #: 193 total cpu time spent up to now is 776.1 secs Computing kpt #: 194 total cpu time spent up to now is 779.1 secs Computing kpt #: 195 total cpu time spent up to now is 782.3 secs Computing kpt #: 196 total cpu time spent up to now is 786.3 secs Computing kpt #: 197 total cpu time spent up to now is 789.0 secs Computing kpt #: 198 total cpu time spent up to now is 791.8 secs Computing kpt #: 199 total cpu time spent up to now is 794.6 secs Computing kpt #: 200 total cpu time spent up to now is 798.1 secs Computing kpt #: 201 total cpu time spent up to now is 800.9 secs Computing kpt #: 202 total cpu time spent up to now is 803.7 secs Computing kpt #: 203 total cpu time spent up to now is 806.3 secs Computing kpt #: 204 total cpu time spent up to now is 808.6 secs Computing kpt #: 205 total cpu time spent up to now is 811.2 secs Computing kpt #: 206 total cpu time spent up to now is 814.0 secs Computing kpt #: 207 total cpu time spent up to now is 816.7 secs Computing kpt #: 208 total cpu time spent up to now is 819.2 secs Computing kpt #: 209 total cpu time spent up to now is 822.1 secs Computing kpt #: 210 total cpu time spent up to now is 825.1 secs Computing kpt #: 211 total cpu time spent up to now is 827.7 secs Computing kpt #: 212 total cpu time spent up to now is 830.4 secs Computing kpt #: 213 total cpu time spent up to now is 833.6 secs Computing kpt #: 214 total cpu time spent up to now is 837.7 secs Computing kpt #: 215 total cpu time spent up to now is 840.4 secs Computing kpt #: 216 total cpu time spent up to now is 844.8 secs Computing kpt #: 217 total cpu time spent up to now is 850.2 secs Computing kpt #: 218 total cpu time spent up to now is 855.1 secs Computing kpt #: 219 total cpu time spent up to now is 859.6 secs Computing kpt #: 220 total cpu time spent up to now is 864.3 secs Computing kpt #: 221 total cpu time spent up to now is 868.9 secs Computing kpt #: 222 total cpu time spent up to now is 873.2 secs Computing kpt #: 223 total cpu time spent up to now is 877.1 secs Computing kpt #: 224 total cpu time spent up to now is 881.1 secs Computing kpt #: 225 total cpu time spent up to now is 886.2 secs Computing kpt #: 226 total cpu time spent up to now is 889.9 secs Computing kpt #: 227 total cpu time spent up to now is 893.3 secs Computing kpt #: 228 total cpu time spent up to now is 897.7 secs Computing kpt #: 229 total cpu time spent up to now is 901.4 secs Computing kpt #: 230 total cpu time spent up to now is 904.8 secs Computing kpt #: 231 total cpu time spent up to now is 908.5 secs Computing kpt #: 232 total cpu time spent up to now is 912.4 secs Computing kpt #: 233 total cpu time spent up to now is 916.2 secs Computing kpt #: 234 total cpu time spent up to now is 921.0 secs Computing kpt #: 235 total cpu time spent up to now is 925.2 secs Computing kpt #: 236 total cpu time spent up to now is 929.3 secs Computing kpt #: 237 total cpu time spent up to now is 934.6 secs Computing kpt #: 238 total cpu time spent up to now is 939.4 secs Computing kpt #: 239 total cpu time spent up to now is 943.5 secs Computing kpt #: 240 total cpu time spent up to now is 948.6 secs Computing kpt #: 241 total cpu time spent up to now is 954.5 secs Computing kpt #: 242 total cpu time spent up to now is 960.4 secs Computing kpt #: 243 total cpu time spent up to now is 966.5 secs Computing kpt #: 244 total cpu time spent up to now is 972.5 secs Computing kpt #: 245 total cpu time spent up to now is 978.6 secs Computing kpt #: 246 total cpu time spent up to now is 984.3 secs Computing kpt #: 247 total cpu time spent up to now is 989.4 secs Computing kpt #: 248 total cpu time spent up to now is 995.5 secs Computing kpt #: 249 total cpu time spent up to now is 1001.1 secs Computing kpt #: 250 total cpu time spent up to now is 1006.6 secs Computing kpt #: 251 total cpu time spent up to now is 1015.1 secs Computing kpt #: 252 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1025.0 secs Computing kpt #: 253 total cpu time spent up to now is 1034.3 secs Computing kpt #: 254 total cpu time spent up to now is 1040.2 secs Computing kpt #: 255 total cpu time spent up to now is 1046.5 secs Computing kpt #: 256 total cpu time spent up to now is 1051.7 secs Computing kpt #: 257 total cpu time spent up to now is 1057.1 secs Computing kpt #: 258 total cpu time spent up to now is 1062.5 secs Computing kpt #: 259 total cpu time spent up to now is 1068.0 secs Computing kpt #: 260 total cpu time spent up to now is 1073.3 secs Computing kpt #: 261 total cpu time spent up to now is 1078.2 secs Computing kpt #: 262 total cpu time spent up to now is 1084.2 secs Computing kpt #: 263 total cpu time spent up to now is 1089.2 secs Computing kpt #: 264 total cpu time spent up to now is 1094.7 secs Computing kpt #: 265 total cpu time spent up to now is 1100.1 secs ethr = 1.56E-08, avg # of iterations = 35.3 total cpu time spent up to now is 1100.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7903 PWs) bands (ev): -9.4484 -9.4484 -8.0787 -8.0787 -8.0781 -8.0781 -7.0789 -7.0789 -7.0771 -7.0771 -6.7224 -6.7224 -6.7115 -6.7115 -6.6847 -6.6847 -3.9795 -3.9795 -1.6594 -1.6594 -1.6546 -1.6546 -0.2360 -0.2360 -0.0641 -0.0641 -0.0626 -0.0626 0.1431 0.1431 0.9462 0.9462 1.3534 1.3534 1.4570 1.4570 1.6646 1.6646 1.6859 1.6859 2.5213 2.5213 3.2878 3.2878 3.2910 3.2910 3.7640 3.7640 3.7992 3.7992 4.1519 4.1519 4.4855 4.4855 4.4911 4.4911 4.9321 4.9321 4.9873 4.9873 5.4236 5.4236 5.8327 5.8327 7.9554 7.9554 8.0901 8.0901 8.0902 8.0902 8.7494 8.7494 9.4994 9.4994 9.5096 9.5096 k = 0.0000 0.0185-0.0000 ( 7887 PWs) bands (ev): -9.4475 -9.4475 -8.0796 -8.0796 -8.0775 -8.0775 -7.0804 -7.0803 -7.0774 -7.0774 -6.7227 -6.7226 -6.7118 -6.7117 -6.6846 -6.6846 -3.9776 -3.9776 -1.6607 -1.6604 -1.6539 -1.6539 -0.2354 -0.2350 -0.0772 -0.0759 -0.0623 -0.0621 0.1533 0.1559 0.9439 0.9459 1.3521 1.3546 1.4583 1.4604 1.6647 1.6654 1.6867 1.6872 2.5219 2.5237 3.2883 3.2892 3.2923 3.2930 3.7645 3.7647 3.7991 3.7995 4.1529 4.1532 4.4844 4.4854 4.4900 4.4916 4.9280 4.9294 4.9840 4.9840 5.4231 5.4234 5.8301 5.8303 7.9527 7.9540 8.0914 8.0916 8.0927 8.0948 8.7506 8.7510 9.4942 9.4971 9.5059 9.5124 k = 0.0000 0.0370-0.0000 ( 7883 PWs) bands (ev): -9.4447 -9.4447 -8.0829 -8.0829 -8.0752 -8.0751 -7.0860 -7.0859 -7.0769 -7.0768 -6.7236 -6.7234 -6.7127 -6.7125 -6.6845 -6.6845 -3.9719 -3.9719 -1.6675 -1.6670 -1.6486 -1.6485 -0.2330 -0.2322 -0.1106 -0.1087 -0.0591 -0.0586 0.1803 0.1848 0.9388 0.9428 1.3507 1.3556 1.4645 1.4685 1.6645 1.6657 1.6897 1.6933 2.5255 2.5290 3.2894 3.2906 3.2987 3.2995 3.7662 3.7664 3.7991 3.8000 4.1561 4.1569 4.4813 4.4829 4.4886 4.4922 4.9155 4.9180 4.9762 4.9764 5.4219 5.4224 5.8226 5.8230 7.9465 7.9488 8.0959 8.0961 8.1017 8.1057 8.7545 8.7554 9.4776 9.4866 9.5096 9.5158 k = 0.0000 0.0556-0.0000 ( 7879 PWs) bands (ev): -9.4400 -9.4400 -8.0885 -8.0885 -8.0712 -8.0711 -7.0954 -7.0953 -7.0756 -7.0754 -6.7249 -6.7246 -6.7142 -6.7139 -6.6845 -6.6845 -3.9625 -3.9625 -1.6798 -1.6791 -1.6387 -1.6386 -0.2292 -0.2280 -0.1544 -0.1524 -0.0534 -0.0526 0.2151 0.2210 0.9306 0.9365 1.3492 1.3565 1.4762 1.4816 1.6606 1.6652 1.6974 1.7053 2.5318 2.5369 3.2906 3.2921 3.3100 3.3107 3.7689 3.7692 3.7991 3.8008 4.1618 4.1630 4.4755 4.4775 4.4874 4.4931 4.8917 4.8948 4.9681 4.9691 5.4200 5.4206 5.8099 5.8105 7.9380 7.9408 8.1030 8.1032 8.1166 8.1219 8.7612 8.7626 9.4562 9.4683 9.5176 9.5239 k = 0.0000 0.0741-0.0000 ( 7861 PWs) bands (ev): -9.4335 -9.4335 -8.0965 -8.0965 -8.0656 -8.0655 -7.1080 -7.1079 -7.0738 -7.0736 -6.7268 -6.7264 -6.7162 -6.7159 -6.6849 -6.6849 -3.9494 -3.9494 -1.6970 -1.6960 -1.6250 -1.6249 -0.2245 -0.2229 -0.2033 -0.2012 -0.0447 -0.0436 0.2524 0.2595 0.9190 0.9268 1.3479 1.3573 1.4935 1.5000 1.6546 1.6623 1.7104 1.7221 2.5402 2.5468 3.2924 3.2942 3.3255 3.3263 3.7714 3.7729 3.7990 3.8025 4.1700 4.1717 4.4670 4.4696 4.4852 4.4929 4.8566 4.8600 4.9617 4.9638 5.4173 5.4182 5.7919 5.7927 7.9281 7.9311 8.1126 8.1129 8.1362 8.1424 8.7708 8.7727 9.4320 9.4456 9.5295 9.5362 k = 0.0000 0.0926-0.0000 ( 7863 PWs) bands (ev): -9.4251 -9.4251 -8.1068 -8.1068 -8.0585 -8.0583 -7.1231 -7.1231 -7.0714 -7.0711 -6.7291 -6.7286 -6.7189 -6.7184 -6.6859 -6.6859 -3.9326 -3.9326 -1.7188 -1.7177 -1.6077 -1.6075 -0.2549 -0.2533 -0.2191 -0.2165 -0.0328 -0.0311 0.2899 0.2981 0.9038 0.9133 1.3468 1.3583 1.5166 1.5238 1.6478 1.6577 1.7280 1.7424 2.5502 2.5580 3.2948 3.2971 3.3448 3.3457 3.7726 3.7764 3.8000 3.8062 4.1808 4.1831 4.4562 4.4595 4.4797 4.4893 4.8144 4.8180 4.9568 4.9599 5.4139 5.4151 5.7684 5.7694 7.9176 7.9207 8.1242 8.1245 8.1596 8.1665 8.7834 8.7858 9.4055 9.4199 9.5453 9.5522 k = 0.0000 0.1111-0.0000 ( 7841 PWs) bands (ev): -9.4149 -9.4149 -8.1196 -8.1196 -8.0497 -8.0496 -7.1404 -7.1403 -7.0686 -7.0682 -6.7319 -6.7314 -6.7222 -6.7217 -6.6879 -6.6878 -3.9121 -3.9121 -1.7450 -1.7438 -1.5871 -1.5869 -0.3075 -0.3060 -0.2135 -0.2105 -0.0170 -0.0149 0.3266 0.3358 0.8850 0.8960 1.3460 1.3595 1.5450 1.5527 1.6409 1.6525 1.7493 1.7657 2.5610 2.5698 3.2979 3.3010 3.3674 3.3685 3.7708 3.7769 3.8042 3.8132 4.1942 4.1973 4.4433 4.4474 4.4676 4.4784 4.7715 4.7748 4.9525 4.9566 5.4098 5.4113 5.7394 5.7406 7.9070 7.9101 8.1373 8.1378 8.1862 8.1934 8.7991 8.8021 9.3767 9.3917 9.5644 9.5714 k = 0.0000 0.1296-0.0000 ( 7849 PWs) bands (ev): -9.4029 -9.4029 -8.1348 -8.1348 -8.0395 -8.0393 -7.1591 -7.1591 -7.0652 -7.0648 -6.7352 -6.7346 -6.7262 -6.7256 -6.6909 -6.6908 -3.8881 -3.8881 -1.7755 -1.7741 -1.5635 -1.5633 -0.3604 -0.3589 -0.2081 -0.2045 0.0028 0.0054 0.3621 0.3723 0.8626 0.8749 1.3459 1.3610 1.5776 1.5858 1.6351 1.6477 1.7734 1.7913 2.5718 2.5815 3.3019 3.3058 3.3929 3.3941 3.7655 3.7729 3.8134 3.8240 4.2099 4.2140 4.4274 4.4335 4.4448 4.4546 4.7357 4.7378 4.9484 4.9533 5.4051 5.4067 5.7052 5.7065 7.8970 7.8999 8.1514 8.1519 8.2151 8.2227 8.8181 8.8217 9.3456 9.3611 9.5861 9.5931 k = 0.0000 0.1481-0.0000 ( 7857 PWs) bands (ev): -9.3891 -9.3891 -8.1526 -8.1525 -8.0277 -8.0275 -7.1789 -7.1789 -7.0614 -7.0609 -6.7389 -6.7382 -6.7310 -6.7304 -6.6951 -6.6950 -3.8607 -3.8606 -1.8099 -1.8084 -1.5374 -1.5371 -0.4127 -0.4113 -0.2029 -0.1987 0.0268 0.0299 0.3962 0.4073 0.8371 0.8504 1.3466 1.3632 1.6105 1.6212 1.6340 1.6447 1.8003 1.8189 2.5821 2.5925 3.3064 3.3113 3.4206 3.4220 3.7569 3.7649 3.8265 3.8383 4.2274 4.2327 4.3971 4.4104 4.4190 4.4215 4.7134 4.7139 4.9442 4.9499 5.3997 5.4015 5.6661 5.6675 7.8878 7.8906 8.1656 8.1663 8.2459 8.2536 8.8403 8.8447 9.3122 9.3282 9.6093 9.6160 k = 0.0000 0.1667-0.0000 ( 7851 PWs) bands (ev): -9.3735 -9.3734 -8.1728 -8.1728 -8.0145 -8.0143 -7.1993 -7.1992 -7.0571 -7.0566 -6.7430 -6.7421 -6.7368 -6.7361 -6.7003 -6.7002 -3.8299 -3.8298 -1.8480 -1.8465 -1.5092 -1.5088 -0.4641 -0.4627 -0.1979 -0.1932 0.0549 0.0585 0.4287 0.4406 0.8088 0.8229 1.3483 1.3662 1.6212 1.6382 1.6593 1.6636 1.8297 1.8485 2.5910 2.6020 3.3114 3.3172 3.4500 3.4517 3.7453 3.7536 3.8427 3.8555 4.2446 4.2514 4.3435 4.3550 4.4014 4.4046 4.7035 4.7074 4.9399 4.9463 5.3936 5.3957 5.6227 5.6241 7.8798 7.8825 8.1794 8.1802 8.2778 8.2857 8.8658 8.8711 9.2765 9.2930 9.6327 9.6387 k = 0.0000 0.1852-0.0000 ( 7851 PWs) bands (ev): -9.3561 -9.3560 -8.1956 -8.1955 -7.9998 -7.9996 -7.2199 -7.2199 -7.0524 -7.0518 -6.7474 -6.7464 -6.7435 -6.7429 -6.7064 -6.7063 -3.7959 -3.7958 -1.8896 -1.8880 -1.4793 -1.4788 -0.5141 -0.5127 -0.1929 -0.1877 0.0870 0.0910 0.4597 0.4723 0.7782 0.7929 1.3512 1.3702 1.6216 1.6387 1.6980 1.7013 1.8618 1.8800 2.5982 2.6096 3.3160 3.3229 3.4806 3.4824 3.7310 3.7394 3.8615 3.8752 4.2461 4.2495 4.2988 4.3036 4.3852 4.3891 4.7056 4.7129 4.9354 4.9425 5.3869 5.3892 5.5758 5.5771 7.8731 7.8757 8.1920 8.1929 8.3101 8.3180 8.8943 8.9007 9.2387 9.2561 9.6546 9.6596 k = 0.0000 0.2037-0.0000 ( 7839 PWs) bands (ev): -9.3369 -9.3369 -8.2209 -8.2208 -7.9837 -7.9835 -7.2406 -7.2406 -7.0473 -7.0466 -6.7525 -6.7512 -6.7512 -6.7507 -6.7131 -6.7131 -3.7588 -3.7587 -1.9343 -1.9328 -1.4481 -1.4476 -0.5623 -0.5609 -0.1875 -0.1818 0.1226 0.1271 0.4889 0.5022 0.7458 0.7607 1.3555 1.3754 1.6237 1.6409 1.7369 1.7382 1.8969 1.9137 2.6032 2.6149 3.3193 3.3272 3.5116 3.5136 3.7142 3.7223 3.8822 3.8969 4.1855 4.1886 4.3062 4.3110 4.3700 4.3742 4.7162 4.7265 4.9307 4.9384 5.3796 5.3821 5.5262 5.5272 7.8679 7.8704 8.2026 8.2037 8.3421 8.3499 8.9247 8.9327 9.1998 9.2184 9.6729 9.6767 k = 0.0000 0.2222-0.0000 ( 7837 PWs) bands (ev): -9.3161 -9.3161 -8.2485 -8.2485 -7.9663 -7.9660 -7.2611 -7.2611 -7.0419 -7.0411 -6.7611 -6.7604 -6.7569 -6.7559 -6.7202 -6.7201 -3.7188 -3.7187 -1.9821 -1.9806 -1.4162 -1.4157 -0.6086 -0.6072 -0.1814 -0.1753 0.1612 0.1662 0.5164 0.5299 0.7123 0.7271 1.3615 1.3821 1.6287 1.6460 1.7723 1.7737 1.9352 1.9497 2.6057 2.6178 3.3196 3.3281 3.5424 3.5445 3.6953 3.7027 3.9039 3.9197 4.1098 4.1127 4.3268 4.3343 4.3567 4.3611 4.7327 4.7458 4.9258 4.9340 5.3718 5.3745 5.4747 5.4754 7.8642 7.8666 8.2108 8.2120 8.3728 8.3806 8.9543 8.9643 9.1626 9.1827 9.6856 9.6878 k = 0.0000 0.2407-0.0000 ( 7827 PWs) bands (ev): -9.2935 -9.2935 -8.2785 -8.2784 -7.9475 -7.9472 -7.2814 -7.2814 -7.0361 -7.0352 -6.7718 -6.7713 -6.7621 -6.7609 -6.7274 -6.7271 -3.6760 -3.6759 -2.0325 -2.0310 -1.3840 -1.3834 -0.6527 -0.6512 -0.1743 -0.1678 0.2024 0.2079 0.5414 0.5545 0.6788 0.6928 1.3693 1.3905 1.6373 1.6545 1.8022 1.8068 1.9762 1.9881 2.6058 2.6180 3.3141 3.3229 3.5722 3.5744 3.6752 3.6812 3.9255 3.9428 4.0369 4.0384 4.3444 4.3464 4.3543 4.3610 4.7535 4.7692 4.9207 4.9294 5.3634 5.3663 5.4225 5.4226 7.8619 7.8643 8.2160 8.2174 8.4015 8.4092 8.9756 8.9869 9.1358 9.1567 9.6904 9.6908 k = 0.0000 0.2593-0.0000 ( 7832 PWs) bands (ev): -9.2693 -9.2693 -8.3105 -8.3105 -7.9276 -7.9272 -7.3015 -7.3014 -7.0300 -7.0290 -6.7837 -6.7834 -6.7673 -6.7660 -6.7345 -6.7341 -3.6307 -3.6306 -2.0853 -2.0839 -1.3520 -1.3514 -0.6945 -0.6930 -0.1659 -0.1590 0.2457 0.2516 0.5625 0.5725 0.6493 0.6596 1.3791 1.4007 1.6497 1.6668 1.8276 1.8353 2.0191 2.0284 2.6034 2.6157 3.2989 3.3076 3.6001 3.6024 3.6554 3.6591 3.9434 3.9647 3.9719 3.9749 4.3376 4.3420 4.3757 4.3863 4.7774 4.7954 4.9154 4.9245 5.3546 5.3576 5.3697 5.3703 7.8610 7.8634 8.2181 8.2197 8.4274 8.4348 8.9743 8.9820 9.1377 9.1545 9.6854 9.6865 k = 0.0000 0.2778-0.0000 ( 7848 PWs) bands (ev): -9.2435 -9.2435 -8.3446 -8.3445 -7.9064 -7.9060 -7.3215 -7.3214 -7.0236 -7.0225 -6.7967 -6.7965 -6.7726 -6.7712 -6.7416 -6.7409 -3.5830 -3.5828 -2.1402 -2.1389 -1.3205 -1.3199 -0.7339 -0.7324 -0.1558 -0.1485 0.2904 0.2969 0.5708 0.5727 0.6347 0.6368 1.3913 1.4132 1.6663 1.6832 1.8485 1.8588 2.0628 2.0698 2.5987 2.6110 3.2698 3.2779 3.6252 3.6265 3.6378 3.6398 3.9145 3.9168 3.9696 3.9853 4.3352 4.3398 4.3998 4.4117 4.8034 4.8238 4.9099 4.9194 5.3173 5.3193 5.3453 5.3486 7.8615 7.8639 8.2170 8.2186 8.4495 8.4568 8.9451 8.9472 9.1707 9.1814 9.6737 9.6759 k = 0.0000 0.2963-0.0000 ( 7848 PWs) bands (ev): -9.2161 -9.2161 -8.3804 -8.3804 -7.8841 -7.8838 -7.3414 -7.3413 -7.0170 -7.0158 -6.8104 -6.8103 -6.7778 -6.7763 -6.7484 -6.7476 -3.5331 -3.5329 -2.1971 -2.1958 -1.2900 -1.2893 -0.7709 -0.7694 -0.1438 -0.1361 0.3358 0.3429 0.5443 0.5569 0.6336 0.6466 1.4059 1.4280 1.6873 1.7039 1.8649 1.8773 2.1059 2.1112 2.5919 2.6042 3.2240 3.2312 3.6207 3.6231 3.6470 3.6504 3.8760 3.8764 3.9850 4.0026 4.3385 4.3432 4.4236 4.4367 4.8308 4.8536 4.9044 4.9141 5.2666 5.2701 5.3356 5.3390 7.8633 7.8658 8.2129 8.2145 8.4673 8.4742 8.8979 8.8990 9.2197 9.2263 9.6590 9.6620 k = 0.0000 0.3148-0.0000 ( 7848 PWs) bands (ev): -9.1872 -9.1872 -8.4178 -8.4177 -7.8609 -7.8605 -7.3615 -7.3613 -7.0102 -7.0090 -6.8245 -6.8242 -6.7829 -6.7813 -6.7551 -6.7541 -3.4812 -3.4809 -2.2556 -2.2544 -1.2608 -1.2601 -0.8054 -0.8039 -0.1297 -0.1216 0.3813 0.3891 0.5090 0.5241 0.6469 0.6629 1.4232 1.4453 1.7129 1.7290 1.8768 1.8908 2.1475 2.1515 2.5834 2.5956 3.1617 3.1684 3.6085 3.6121 3.6638 3.6670 3.8508 3.8512 3.9981 4.0167 4.3479 4.3526 4.4469 4.4607 4.8587 4.8836 4.8994 4.9088 5.2181 5.2239 5.3253 5.3290 7.8667 7.8692 8.2061 8.2076 8.4800 8.4866 8.8422 8.8448 9.2765 9.2808 9.6445 9.6483 k = 0.0000 0.3333-0.0000 ( 7840 PWs) bands (ev): -9.1568 -9.1568 -8.4565 -8.4564 -7.8366 -7.8362 -7.3818 -7.3816 -7.0032 -7.0019 -6.8386 -6.8382 -6.7878 -6.7861 -6.7617 -6.7606 -3.4274 -3.4271 -2.3156 -2.3145 -1.2331 -1.2323 -0.8376 -0.8361 -0.1133 -0.1048 0.4260 0.4348 0.4712 0.4871 0.6625 0.6795 1.4433 1.4654 1.7431 1.7588 1.8844 1.8993 2.1865 2.1897 2.5734 2.5855 3.0864 3.0928 3.5993 3.6028 3.6753 3.6784 3.8385 3.8403 4.0083 4.0274 4.3631 4.3679 4.4691 4.4835 4.8861 4.8923 4.9033 4.9158 5.1727 5.1817 5.3146 5.3184 7.8717 7.8743 8.1972 8.1984 8.4873 8.4936 8.7835 8.7864 9.3381 9.3408 9.6325 9.6371 k = 0.0000 0.3519-0.0000 ( 7840 PWs) bands (ev): -9.1250 -9.1250 -8.4963 -8.4962 -7.8116 -7.8111 -7.4027 -7.4024 -6.9962 -6.9948 -6.8524 -6.8518 -6.7923 -6.7905 -6.7681 -6.7668 -3.3719 -3.3716 -2.3768 -2.3757 -1.2069 -1.2061 -0.8675 -0.8660 -0.0946 -0.0856 0.4323 0.4466 0.4714 0.4792 0.6772 0.6946 1.4665 1.4884 1.7782 1.7931 1.8875 1.9029 2.2222 2.2250 2.5624 2.5743 3.0024 3.0087 3.5917 3.5944 3.6812 3.6842 3.8374 3.8413 4.0158 4.0352 4.3833 4.3881 4.4902 4.5048 4.8872 4.8980 4.9114 4.9451 5.1311 5.1448 5.3033 5.3072 7.8786 7.8814 8.1865 8.1873 8.4891 8.4951 8.7236 8.7263 9.4028 9.4045 9.6246 9.6301 k = 0.0000 0.3704-0.0000 ( 7830 PWs) bands (ev): -9.0918 -9.0918 -8.5369 -8.5368 -7.7858 -7.7853 -7.4241 -7.4238 -6.9891 -6.9876 -6.8657 -6.8650 -6.7964 -6.7945 -6.7743 -6.7728 -3.3149 -3.3146 -2.4389 -2.4379 -1.1824 -1.1815 -0.8952 -0.8937 -0.0736 -0.0641 0.3933 0.4084 0.5120 0.5216 0.6901 0.7077 1.4927 1.5144 1.8180 1.8316 1.8865 1.9015 2.2539 2.2565 2.5506 2.5623 2.9136 2.9201 3.5854 3.5867 3.6815 3.6844 3.8452 3.8516 4.0209 4.0403 4.4070 4.4119 4.5097 4.5242 4.8821 4.8928 4.9321 4.9714 5.0956 5.1155 5.2912 5.2953 7.8878 7.8909 8.1745 8.1747 8.4857 8.4914 8.6644 8.6664 9.4694 9.4702 9.6218 9.6281 k = 0.0000 0.3889-0.0000 ( 7826 PWs) bands (ev): -9.0574 -9.0573 -8.5782 -8.5781 -7.7594 -7.7589 -7.4463 -7.4459 -6.9819 -6.9803 -6.8783 -6.8774 -6.7999 -6.7979 -6.7802 -6.7786 -3.2565 -3.2562 -2.5019 -2.5009 -1.1595 -1.1586 -0.9209 -0.9194 -0.0503 -0.0403 0.3542 0.3692 0.5506 0.5612 0.7008 0.7184 1.5220 1.5434 1.8625 1.8671 1.8881 1.8950 2.2808 2.2836 2.5384 2.5498 2.8235 2.8301 3.5804 3.5805 3.6770 3.6796 3.8594 3.8682 4.0236 4.0430 4.4331 4.4378 4.5272 4.5414 4.8777 4.8881 4.9447 4.9883 5.0721 5.0974 5.2784 5.2826 7.8996 7.9030 8.1608 8.1614 8.4778 8.4833 8.6076 8.6086 9.5364 9.5365 9.6244 9.6316 k = 0.0000 0.4074-0.0000 ( 7834 PWs) bands (ev): -9.0217 -9.0216 -8.6199 -8.6198 -7.7325 -7.7321 -7.4693 -7.4689 -6.9747 -6.9730 -6.8901 -6.8890 -6.8028 -6.8007 -6.7857 -6.7840 -3.1970 -3.1965 -2.5654 -2.5645 -1.1381 -1.1371 -0.9447 -0.9433 -0.0247 -0.0143 0.3154 0.3301 0.5859 0.5974 0.7088 0.7263 1.5541 1.5751 1.8638 1.8828 1.9121 1.9281 2.3023 2.3051 2.5262 2.5373 2.7352 2.7418 3.5765 3.5775 3.6684 3.6709 3.8778 3.8887 4.0238 4.0429 4.4600 4.4644 4.5424 4.5557 4.8741 4.8839 4.9457 4.9840 5.0722 5.0937 5.2646 5.2689 7.9144 7.9182 8.1454 8.1471 8.4665 8.4719 8.5551 8.5552 9.6009 9.6021 9.6328 9.6407 k = 0.0000 0.4259-0.0000 ( 7840 PWs) bands (ev): -8.9848 -8.9848 -8.6618 -8.6617 -7.7053 -7.7048 -7.4931 -7.4927 -6.9675 -6.9658 -6.9011 -6.8998 -6.8049 -6.8027 -6.7908 -6.7889 -3.1363 -3.1358 -2.6293 -2.6285 -1.1179 -1.1169 -0.9669 -0.9655 0.0029 0.0138 0.2770 0.2914 0.6174 0.6298 0.7139 0.7313 1.5887 1.6091 1.8477 1.8661 1.9657 1.9801 2.3168 2.3193 2.5144 2.5250 2.6522 2.6585 3.5756 3.5771 3.6569 3.6592 3.8985 3.9112 4.0212 4.0400 4.4866 4.4902 4.5547 4.5668 4.8719 4.8808 4.9367 4.9642 5.0901 5.1027 5.2498 5.2541 7.9324 7.9366 8.1280 8.1308 8.4532 8.4586 8.5080 8.5096 9.6445 9.6528 9.6623 9.6653 k = 0.0000 0.4444-0.0000 ( 7834 PWs) bands (ev): -8.9469 -8.9469 -8.7037 -8.7037 -7.6779 -7.6774 -7.5178 -7.5173 -6.9602 -6.9585 -6.9112 -6.9098 -6.8062 -6.8040 -6.7953 -6.7933 -3.0747 -3.0742 -2.6935 -2.6927 -1.0988 -1.0977 -0.9877 -0.9863 0.0324 0.0437 0.2391 0.2532 0.6445 0.6579 0.7157 0.7329 1.6250 1.6450 1.8261 1.8442 2.0234 2.0367 2.3207 2.3220 2.5033 2.5134 2.5802 2.5852 3.5778 3.5797 3.6435 3.6457 3.9201 3.9342 4.0155 4.0339 4.5115 4.5141 4.5635 4.5738 4.8717 4.8791 4.9230 4.9415 5.1132 5.1190 5.2338 5.2380 7.9537 7.9583 8.1081 8.1120 8.4397 8.4451 8.4697 8.4727 9.6627 9.6723 9.7107 9.7156 k = 0.0000 0.4630-0.0000 ( 7836 PWs) bands (ev): -8.9081 -8.9081 -8.7455 -8.7455 -7.6504 -7.6500 -7.5432 -7.5428 -6.9528 -6.9511 -6.9206 -6.9190 -6.8066 -6.8044 -6.7992 -6.7971 -3.0123 -3.0118 -2.7577 -2.7570 -1.0804 -1.0792 -1.0074 -1.0060 0.0636 0.0754 0.2020 0.2156 0.6673 0.6815 0.7141 0.7309 1.6623 1.6817 1.7997 1.8179 2.0847 2.0968 2.3061 2.3078 2.4938 2.5030 2.5276 2.5296 3.5832 3.5854 3.6294 3.6316 3.9413 3.9565 4.0065 4.0245 4.5336 4.5347 4.5681 4.5762 4.8741 4.8793 4.9090 4.9206 5.1368 5.1385 5.2167 5.2206 7.9778 7.9829 8.0851 8.0899 8.4280 8.4334 8.4419 8.4461 9.6838 9.6942 9.7397 9.7482 k = 0.0000 0.4815-0.0000 ( 7832 PWs) bands (ev): -8.8684 -8.8684 -8.7870 -8.7869 -7.6231 -7.6226 -7.5693 -7.5689 -6.9453 -6.9435 -6.9293 -6.9277 -6.8061 -6.8039 -6.8023 -6.8002 -2.9493 -2.9487 -2.8218 -2.8212 -1.0623 -1.0611 -1.0262 -1.0249 0.0963 0.1086 0.1657 0.1789 0.6855 0.7005 0.7087 0.7250 1.6995 1.7185 1.7692 1.7876 2.1481 2.1587 2.2669 2.2724 2.4873 2.4951 2.4983 2.5004 3.5917 3.5939 3.6155 3.6176 3.9612 3.9774 3.9943 4.0118 4.5510 4.5518 4.5678 4.5735 4.8798 4.8821 4.8969 4.9030 5.1589 5.1597 5.1984 5.2017 8.0043 8.0096 8.0594 8.0647 8.4201 8.4250 8.4255 8.4300 9.7065 9.7177 9.7430 9.7543 k = 0.0000 0.5000-0.0000 ( 7816 PWs) bands (ev): -8.8280 -8.8280 -8.8280 -8.8280 -7.5960 -7.5960 -7.5955 -7.5955 -6.9375 -6.9375 -6.9358 -6.9358 -6.8046 -6.8046 -6.8024 -6.8024 -2.8858 -2.8858 -2.8851 -2.8851 -1.0444 -1.0444 -1.0431 -1.0431 0.1304 0.1304 0.1432 0.1432 0.6992 0.6992 0.7149 0.7149 1.7355 1.7355 1.7541 1.7541 2.2108 2.2108 2.2194 2.2194 2.4870 2.4870 2.4926 2.4926 3.6026 3.6026 3.6048 3.6048 3.9791 3.9791 3.9960 3.9960 4.5621 4.5621 4.5653 4.5653 4.8879 4.8879 4.8894 4.8894 5.1790 5.1790 5.1814 5.1814 8.0319 8.0319 8.0374 8.0374 8.4184 8.4184 8.4237 8.4237 9.7282 9.7282 9.7400 9.7400 k = 0.0000 0.5000-0.0000 ( 7816 PWs) bands (ev): -8.8280 -8.8280 -8.8280 -8.8280 -7.5960 -7.5960 -7.5955 -7.5955 -6.9375 -6.9375 -6.9358 -6.9358 -6.8046 -6.8046 -6.8024 -6.8024 -2.8858 -2.8858 -2.8851 -2.8851 -1.0444 -1.0444 -1.0431 -1.0431 0.1304 0.1304 0.1432 0.1432 0.6992 0.6992 0.7149 0.7149 1.7355 1.7355 1.7541 1.7541 2.2108 2.2108 2.2194 2.2194 2.4870 2.4870 2.4926 2.4926 3.6026 3.6026 3.6048 3.6048 3.9791 3.9791 3.9960 3.9960 4.5621 4.5621 4.5653 4.5653 4.8879 4.8879 4.8894 4.8894 5.1790 5.1790 5.1814 5.1814 8.0319 8.0319 8.0374 8.0374 8.4184 8.4184 8.4237 8.4237 9.7282 9.7282 9.7400 9.7400 k = 0.0185 0.5000-0.0000 ( 7816 PWs) bands (ev): -8.8271 -8.8271 -8.8271 -8.8271 -7.5967 -7.5967 -7.5962 -7.5962 -6.9384 -6.9384 -6.9367 -6.9367 -6.8048 -6.8048 -6.8026 -6.8026 -2.8839 -2.8839 -2.8833 -2.8833 -1.0480 -1.0480 -1.0467 -1.0467 0.1341 0.1341 0.1468 0.1468 0.7002 0.7002 0.7159 0.7159 1.7335 1.7335 1.7522 1.7522 2.2105 2.2105 2.2192 2.2192 2.4901 2.4901 2.4958 2.4958 3.6028 3.6028 3.6051 3.6051 3.9800 3.9800 3.9970 3.9970 4.5604 4.5604 4.5640 4.5640 4.8861 4.8861 4.8885 4.8885 5.1781 5.1781 5.1804 5.1804 8.0259 8.0259 8.0314 8.0314 8.4226 8.4226 8.4281 8.4281 9.7199 9.7199 9.7311 9.7311 k = 0.0370 0.5000-0.0000 ( 7828 PWs) bands (ev): -8.8246 -8.8246 -8.8245 -8.8245 -7.5987 -7.5987 -7.5982 -7.5982 -6.9411 -6.9411 -6.9395 -6.9395 -6.8052 -6.8052 -6.8030 -6.8030 -2.8783 -2.8783 -2.8777 -2.8777 -1.0587 -1.0587 -1.0574 -1.0574 0.1449 0.1449 0.1576 0.1576 0.7030 0.7030 0.7187 0.7187 1.7280 1.7280 1.7465 1.7465 2.2096 2.2096 2.2185 2.2185 2.4992 2.4992 2.5052 2.5052 3.6032 3.6032 3.6057 3.6057 3.9829 3.9829 4.0000 4.0000 4.5554 4.5554 4.5601 4.5601 4.8815 4.8815 4.8855 4.8855 5.1753 5.1753 5.1772 5.1772 8.0086 8.0086 8.0142 8.0142 8.4343 8.4343 8.4405 8.4405 9.6988 9.6988 9.7091 9.7091 k = 0.0556 0.5000-0.0000 ( 7822 PWs) bands (ev): -8.8202 -8.8202 -8.8202 -8.8202 -7.6021 -7.6021 -7.6016 -7.6016 -6.9457 -6.9457 -6.9440 -6.9440 -6.8059 -6.8059 -6.8037 -6.8037 -2.8691 -2.8691 -2.8685 -2.8685 -1.0761 -1.0761 -1.0747 -1.0747 0.1624 0.1624 0.1751 0.1751 0.7077 0.7077 0.7236 0.7236 1.7191 1.7191 1.7376 1.7376 2.2079 2.2079 2.2171 2.2171 2.5140 2.5140 2.5205 2.5205 3.6039 3.6039 3.6067 3.6067 3.9877 3.9877 4.0050 4.0050 4.5474 4.5474 4.5534 4.5534 4.8743 4.8743 4.8800 4.8800 5.1706 5.1706 5.1722 5.1722 7.9821 7.9821 7.9878 7.9878 8.4518 8.4518 8.4586 8.4586 9.6713 9.6713 9.6807 9.6807 k = 0.0741 0.5000-0.0000 ( 7834 PWs) bands (ev): -8.8142 -8.8142 -8.8142 -8.8142 -7.6069 -7.6069 -7.6064 -7.6064 -6.9519 -6.9519 -6.9502 -6.9502 -6.8067 -6.8067 -6.8046 -6.8046 -2.8565 -2.8565 -2.8557 -2.8557 -1.0994 -1.0994 -1.0979 -1.0979 0.1858 0.1858 0.1985 0.1985 0.7143 0.7143 0.7303 0.7303 1.7076 1.7076 1.7261 1.7261 2.2054 2.2054 2.2148 2.2148 2.5337 2.5337 2.5409 2.5409 3.6047 3.6047 3.6080 3.6080 3.9945 3.9945 4.0121 4.0121 4.5369 4.5369 4.5441 4.5441 4.8647 4.8647 4.8721 4.8721 5.1639 5.1639 5.1655 5.1655 7.9489 7.9489 7.9545 7.9545 8.4728 8.4728 8.4804 8.4804 9.6411 9.6411 9.6496 9.6496 k = 0.0926 0.5000-0.0000 ( 7852 PWs) bands (ev): -8.8065 -8.8065 -8.8064 -8.8064 -7.6133 -7.6133 -7.6128 -7.6128 -6.9596 -6.9596 -6.9580 -6.9580 -6.8077 -6.8077 -6.8056 -6.8056 -2.8404 -2.8404 -2.8397 -2.8397 -1.1277 -1.1277 -1.1262 -1.1262 0.2142 0.2142 0.2269 0.2269 0.7229 0.7229 0.7391 0.7391 1.6942 1.6942 1.7126 1.7126 2.2017 2.2017 2.2116 2.2116 2.5577 2.5577 2.5656 2.5656 3.6054 3.6054 3.6092 3.6092 4.0035 4.0035 4.0214 4.0214 4.5241 4.5241 4.5324 4.5324 4.8527 4.8527 4.8618 4.8618 5.1552 5.1552 5.1575 5.1575 7.9109 7.9109 7.9164 7.9164 8.4957 8.4957 8.5038 8.5038 9.6098 9.6098 9.6176 9.6176 k = 0.1111 0.5000-0.0000 ( 7854 PWs) bands (ev): -8.7971 -8.7971 -8.7970 -8.7970 -7.6213 -7.6213 -7.6207 -7.6207 -6.9686 -6.9686 -6.9670 -6.9670 -6.8087 -6.8087 -6.8067 -6.8067 -2.8213 -2.8213 -2.8205 -2.8205 -1.1603 -1.1603 -1.1587 -1.1587 0.2468 0.2468 0.2594 0.2594 0.7335 0.7335 0.7499 0.7499 1.6794 1.6794 1.6978 1.6978 2.1970 2.1970 2.2072 2.2072 2.5850 2.5850 2.5937 2.5937 3.6059 3.6059 3.6103 3.6103 4.0147 4.0147 4.0328 4.0328 4.5096 4.5096 4.5187 4.5187 4.8388 4.8388 4.8493 4.8493 5.1446 5.1446 5.1482 5.1482 7.8694 7.8694 7.8748 7.8748 8.5190 8.5190 8.5277 8.5277 9.5785 9.5785 9.5857 9.5857 k = 0.1296 0.5000-0.0000 ( 7858 PWs) bands (ev): -8.7860 -8.7860 -8.7860 -8.7860 -7.6309 -7.6309 -7.6304 -7.6304 -6.9788 -6.9788 -6.9772 -6.9772 -6.8098 -6.8098 -6.8078 -6.8078 -2.7993 -2.7993 -2.7985 -2.7985 -1.1962 -1.1962 -1.1945 -1.1945 0.2826 0.2826 0.2952 0.2952 0.7462 0.7462 0.7628 0.7628 1.6638 1.6638 1.6824 1.6824 2.1911 2.1911 2.2017 2.2017 2.6148 2.6148 2.6241 2.6241 3.6059 3.6059 3.6108 3.6108 4.0282 4.0282 4.0464 4.0464 4.4938 4.4938 4.5034 4.5034 4.8231 4.8231 4.8349 4.8349 5.1326 5.1326 5.1374 5.1374 7.8256 7.8256 7.8308 7.8308 8.5420 8.5420 8.5512 8.5512 9.5477 9.5477 9.5544 9.5544 k = 0.1481 0.5000-0.0000 ( 7866 PWs) bands (ev): -8.7733 -8.7733 -8.7733 -8.7733 -7.6424 -7.6424 -7.6418 -7.6418 -6.9898 -6.9898 -6.9883 -6.9883 -6.8109 -6.8109 -6.8090 -6.8090 -2.7747 -2.7747 -2.7738 -2.7738 -1.2347 -1.2347 -1.2330 -1.2330 0.3209 0.3209 0.3335 0.3335 0.7609 0.7609 0.7777 0.7777 1.6479 1.6479 1.6667 1.6667 2.1840 2.1840 2.1950 2.1950 2.6461 2.6461 2.6560 2.6560 3.6049 3.6049 3.6103 3.6103 4.0440 4.0440 4.0623 4.0623 4.4773 4.4773 4.4871 4.4871 4.8059 4.8059 4.8189 4.8189 5.1193 5.1193 5.1254 5.1254 7.7802 7.7802 7.7852 7.7852 8.5642 8.5642 8.5738 8.5738 9.5181 9.5181 9.5242 9.5242 k = 0.1667 0.5000-0.0000 ( 7856 PWs) bands (ev): -8.7590 -8.7590 -8.7590 -8.7590 -7.6558 -7.6558 -7.6552 -7.6552 -7.0013 -7.0013 -6.9998 -6.9998 -6.8120 -6.8120 -6.8102 -6.8102 -2.7478 -2.7478 -2.7469 -2.7469 -1.2751 -1.2751 -1.2733 -1.2733 0.3611 0.3611 0.3736 0.3736 0.7777 0.7777 0.7945 0.7945 1.6319 1.6319 1.6511 1.6511 2.1757 2.1757 2.1872 2.1872 2.6782 2.6782 2.6886 2.6886 3.6026 3.6026 3.6085 3.6085 4.0622 4.0622 4.0803 4.0803 4.4609 4.4609 4.4704 4.4704 4.7878 4.7878 4.8016 4.8016 5.1049 5.1049 5.1122 5.1122 7.7336 7.7336 7.7384 7.7384 8.5852 8.5852 8.5951 8.5951 9.4901 9.4901 9.4957 9.4957 k = 0.1852 0.5000-0.0000 ( 7864 PWs) bands (ev): -8.7432 -8.7432 -8.7431 -8.7431 -7.6711 -7.6711 -7.6706 -7.6706 -7.0131 -7.0131 -7.0117 -7.0117 -6.8130 -6.8130 -6.8113 -6.8113 -2.7190 -2.7190 -2.7180 -2.7180 -1.3168 -1.3168 -1.3150 -1.3150 0.4027 0.4027 0.4151 0.4151 0.7964 0.7964 0.8133 0.8133 1.6161 1.6161 1.6357 1.6357 2.1663 2.1663 2.1783 2.1783 2.7103 2.7103 2.7212 2.7212 3.5984 3.5984 3.6048 3.6048 4.0828 4.0828 4.1005 4.1005 4.4453 4.4453 4.4542 4.4542 4.7692 4.7692 4.7835 4.7835 5.0895 5.0895 5.0980 5.0980 7.6863 7.6863 7.6909 7.6909 8.6048 8.6048 8.6149 8.6149 9.4640 9.4640 9.4693 9.4693 k = 0.2037 0.5000-0.0000 ( 7864 PWs) bands (ev): -8.7258 -8.7258 -8.7257 -8.7257 -7.6885 -7.6885 -7.6879 -7.6879 -7.0248 -7.0248 -7.0235 -7.0235 -6.8141 -6.8141 -6.8124 -6.8124 -2.6884 -2.6884 -2.6874 -2.6874 -1.3593 -1.3593 -1.3576 -1.3576 0.4452 0.4452 0.4574 0.4574 0.8170 0.8170 0.8338 0.8338 1.6006 1.6006 1.6206 1.6206 2.1558 2.1558 2.1683 2.1683 2.7419 2.7419 2.7531 2.7531 3.5919 3.5919 3.5986 3.5986 4.1056 4.1056 4.1226 4.1226 4.4315 4.4315 4.4394 4.4394 4.7504 4.7504 4.7650 4.7650 5.0732 5.0732 5.0827 5.0827 7.6385 7.6385 7.6428 7.6428 8.6228 8.6228 8.6331 8.6331 9.4404 9.4404 9.4453 9.4453 k = 0.2222 0.5000-0.0000 ( 7864 PWs) bands (ev): -8.7069 -8.7069 -8.7069 -8.7069 -7.7080 -7.7080 -7.7074 -7.7074 -7.0363 -7.0363 -7.0350 -7.0350 -6.8151 -6.8151 -6.8135 -6.8135 -2.6565 -2.6565 -2.6554 -2.6554 -1.4023 -1.4023 -1.4005 -1.4005 0.4884 0.4884 0.5005 0.5005 0.8391 0.8391 0.8558 0.8558 1.5852 1.5852 1.6057 1.6057 2.1444 2.1444 2.1573 2.1573 2.7725 2.7725 2.7839 2.7839 3.5825 3.5825 3.5895 3.5895 4.1303 4.1303 4.1464 4.1464 4.4203 4.4203 4.4269 4.4269 4.7320 4.7320 4.7467 4.7467 5.0563 5.0563 5.0666 5.0666 7.5905 7.5905 7.5945 7.5945 8.6390 8.6390 8.6494 8.6494 9.4197 9.4197 9.4242 9.4242 k = 0.2407 0.5000-0.0000 ( 7844 PWs) bands (ev): -8.6866 -8.6866 -8.6866 -8.6866 -7.7294 -7.7294 -7.7289 -7.7289 -7.0472 -7.0472 -7.0459 -7.0459 -6.8160 -6.8160 -6.8145 -6.8145 -2.6236 -2.6236 -2.6224 -2.6224 -1.4452 -1.4452 -1.4435 -1.4435 0.5322 0.5322 0.5440 0.5440 0.8626 0.8626 0.8791 0.8791 1.5698 1.5698 1.5909 1.5909 2.1320 2.1320 2.1454 2.1454 2.8017 2.8017 2.8131 2.8131 3.5699 3.5699 3.5771 3.5771 4.1564 4.1564 4.1713 4.1713 4.4125 4.4125 4.4178 4.4178 4.7143 4.7143 4.7288 4.7288 5.0387 5.0387 5.0496 5.0496 7.5425 7.5425 7.5461 7.5461 8.6534 8.6534 8.6637 8.6637 9.4023 9.4023 9.4064 9.4064 k = 0.2593 0.5000-0.0000 ( 7852 PWs) bands (ev): -8.6650 -8.6650 -8.6650 -8.6650 -7.7528 -7.7528 -7.7523 -7.7523 -7.0574 -7.0574 -7.0562 -7.0562 -6.8169 -6.8169 -6.8155 -6.8155 -2.5899 -2.5899 -2.5887 -2.5887 -1.4879 -1.4879 -1.4862 -1.4862 0.5765 0.5765 0.5881 0.5881 0.8871 0.8871 0.9032 0.9032 1.5542 1.5542 1.5759 1.5759 2.1190 2.1190 2.1328 2.1328 2.8292 2.8292 2.8405 2.8405 3.5539 3.5539 3.5611 3.5611 4.1833 4.1833 4.1970 4.1970 4.4089 4.4089 4.4132 4.4132 4.6977 4.6977 4.7119 4.7119 5.0206 5.0206 5.0320 5.0320 7.4948 7.4948 7.4981 7.4981 8.6656 8.6656 8.6758 8.6758 9.3883 9.3883 9.3921 9.3921 k = 0.2778 0.5000-0.0000 ( 7852 PWs) bands (ev): -8.6422 -8.6422 -8.6421 -8.6421 -7.7781 -7.7781 -7.7776 -7.7776 -7.0668 -7.0668 -7.0657 -7.0657 -6.8178 -6.8178 -6.8165 -6.8165 -2.5557 -2.5557 -2.5546 -2.5546 -1.5301 -1.5301 -1.5284 -1.5284 0.6213 0.6213 0.6327 0.6327 0.9122 0.9122 0.9279 0.9279 1.5381 1.5381 1.5605 1.5605 2.1054 2.1054 2.1196 2.1196 2.8548 2.8548 2.8660 2.8660 3.5344 3.5344 3.5416 3.5416 4.2103 4.2103 4.2227 4.2227 4.4097 4.4097 4.4143 4.4143 4.6825 4.6825 4.6962 4.6962 5.0022 5.0022 5.0139 5.0139 7.4477 7.4477 7.4506 7.4506 8.6754 8.6754 8.6855 8.6855 9.3782 9.3782 9.3816 9.3816 k = 0.2963 0.5000-0.0000 ( 7852 PWs) bands (ev): -8.6182 -8.6182 -8.6181 -8.6181 -7.8050 -7.8050 -7.8045 -7.8045 -7.0753 -7.0753 -7.0743 -7.0743 -6.8186 -6.8186 -6.8174 -6.8174 -2.5215 -2.5215 -2.5203 -2.5203 -1.5715 -1.5715 -1.5699 -1.5699 0.6666 0.6666 0.6778 0.6778 0.9374 0.9374 0.9526 0.9526 1.5212 1.5212 1.5441 1.5441 2.0915 2.0915 2.1059 2.1059 2.8786 2.8786 2.8894 2.8894 3.5116 3.5116 3.5186 3.5186 4.2364 4.2364 4.2479 4.2479 4.4154 4.4154 4.4214 4.4214 4.6687 4.6687 4.6821 4.6821 4.9835 4.9835 4.9953 4.9953 7.4015 7.4015 7.4042 7.4042 8.6828 8.6828 8.6926 8.6926 9.3719 9.3719 9.3750 9.3750 k = 0.3148 0.5000-0.0000 ( 7856 PWs) bands (ev): -8.5932 -8.5932 -8.5932 -8.5932 -7.8333 -7.8333 -7.8328 -7.8328 -7.0829 -7.0829 -7.0819 -7.0819 -6.8194 -6.8194 -6.8183 -6.8183 -2.4873 -2.4873 -2.4861 -2.4861 -1.6119 -1.6119 -1.6103 -1.6103 0.7125 0.7125 0.7236 0.7236 0.9625 0.9625 0.9770 0.9770 1.5031 1.5031 1.5265 1.5265 2.0775 2.0775 2.0919 2.0919 2.9005 2.9005 2.9109 2.9109 3.4861 3.4861 3.4928 3.4928 4.2609 4.2609 4.2718 4.2718 4.4264 4.4264 4.4341 4.4341 4.6567 4.6567 4.6698 4.6698 4.9646 4.9646 4.9764 4.9764 7.3568 7.3568 7.3591 7.3591 8.6875 8.6875 8.6969 8.6969 9.3695 9.3695 9.3723 9.3723 k = 0.3333 0.5000-0.0000 ( 7856 PWs) bands (ev): -8.5674 -8.5674 -8.5673 -8.5673 -7.8626 -7.8626 -7.8622 -7.8622 -7.0895 -7.0895 -7.0886 -7.0886 -6.8202 -6.8202 -6.8192 -6.8192 -2.4536 -2.4536 -2.4524 -2.4524 -1.6511 -1.6511 -1.6496 -1.6496 0.7589 0.7589 0.7700 0.7700 0.9869 0.9869 1.0007 1.0007 1.4835 1.4835 1.5072 1.5072 2.0637 2.0637 2.0779 2.0779 2.9207 2.9207 2.9305 2.9305 3.4584 3.4584 3.4648 3.4648 4.2835 4.2835 4.2941 4.2941 4.4424 4.4424 4.4515 4.4515 4.6464 4.6464 4.6594 4.6594 4.9458 4.9458 4.9573 4.9573 7.3140 7.3140 7.3160 7.3160 8.6895 8.6895 8.6984 8.6984 9.3710 9.3710 9.3735 9.3735 k = 0.3519 0.5000-0.0000 ( 7862 PWs) bands (ev): -8.5409 -8.5409 -8.5409 -8.5409 -7.8928 -7.8928 -7.8924 -7.8924 -7.0952 -7.0952 -7.0944 -7.0944 -6.8209 -6.8209 -6.8199 -6.8199 -2.4206 -2.4206 -2.4194 -2.4194 -1.6888 -1.6888 -1.6873 -1.6873 0.8059 0.8059 0.8170 0.8170 1.0102 1.0102 1.0232 1.0232 1.4620 1.4620 1.4859 1.4859 2.0503 2.0503 2.0641 2.0641 2.9392 2.9392 2.9484 2.9484 3.4294 3.4294 3.4355 3.4355 4.3043 4.3043 4.3146 4.3146 4.4621 4.4621 4.4724 4.4724 4.6379 4.6379 4.6510 4.6510 4.9273 4.9273 4.9382 4.9382 7.2736 7.2736 7.2753 7.2753 8.6888 8.6888 8.6971 8.6971 9.3762 9.3762 9.3785 9.3785 k = 0.3704 0.5000-0.0000 ( 7854 PWs) bands (ev): -8.5142 -8.5142 -8.5141 -8.5141 -7.9232 -7.9232 -7.9229 -7.9229 -7.1000 -7.1000 -7.0993 -7.0993 -6.8215 -6.8215 -6.8207 -6.8207 -2.3886 -2.3886 -2.3874 -2.3874 -1.7248 -1.7248 -1.7234 -1.7234 0.8533 0.8533 0.8644 0.8644 1.0320 1.0320 1.0443 1.0443 1.4383 1.4383 1.4621 1.4621 2.0377 2.0377 2.0507 2.0507 2.9564 2.9564 2.9648 2.9648 3.4001 3.4001 3.4057 3.4057 4.3234 4.3234 4.3334 4.3334 4.4841 4.4841 4.4953 4.4953 4.6310 4.6310 4.6446 4.6446 4.9091 4.9091 4.9194 4.9194 7.2361 7.2361 7.2375 7.2375 8.6858 8.6858 8.6933 8.6933 9.3850 9.3850 9.3870 9.3870 k = 0.3889 0.5000-0.0000 ( 7852 PWs) bands (ev): -8.4875 -8.4875 -8.4874 -8.4874 -7.9535 -7.9535 -7.9531 -7.9531 -7.1040 -7.1040 -7.1034 -7.1034 -6.8220 -6.8220 -6.8213 -6.8213 -2.3581 -2.3581 -2.3570 -2.3570 -1.7587 -1.7587 -1.7573 -1.7573 0.9009 0.9009 0.9121 0.9121 1.0520 1.0520 1.0637 1.0637 1.4122 1.4122 1.4357 1.4357 2.0261 2.0261 2.0380 2.0380 2.9722 2.9722 2.9798 2.9798 3.3713 3.3713 3.3764 3.3764 4.3410 4.3410 4.3503 4.3503 4.5066 4.5066 4.5190 4.5190 4.6257 4.6257 4.6401 4.6401 4.8918 4.8918 4.9012 4.9012 7.2022 7.2022 7.2034 7.2034 8.6808 8.6808 8.6876 8.6876 9.3970 9.3970 9.3988 9.3988 k = 0.4074 0.5000-0.0000 ( 7846 PWs) bands (ev): -8.4614 -8.4614 -8.4613 -8.4613 -7.9828 -7.9828 -7.9825 -7.9825 -7.1072 -7.1072 -7.1067 -7.1067 -6.8225 -6.8225 -6.8219 -6.8219 -2.3297 -2.3297 -2.3286 -2.3286 -1.7899 -1.7899 -1.7887 -1.7887 0.9482 0.9482 0.9594 0.9594 1.0700 1.0700 1.0811 1.0811 1.3835 1.3835 1.4066 1.4066 2.0159 2.0159 2.0265 2.0265 2.9867 2.9867 2.9933 2.9933 3.3441 3.3441 3.3486 3.3486 4.3568 4.3568 4.3653 4.3653 4.5283 4.5283 4.5423 4.5423 4.6218 4.6218 4.6373 4.6373 4.8755 4.8755 4.8838 4.8838 7.1724 7.1724 7.1733 7.1733 8.6746 8.6746 8.6804 8.6804 9.4120 9.4120 9.4136 9.4136 k = 0.4259 0.5000-0.0000 ( 7846 PWs) bands (ev): -8.4367 -8.4367 -8.4366 -8.4366 -8.0102 -8.0102 -8.0100 -8.0100 -7.1098 -7.1098 -7.1094 -7.1094 -6.8229 -6.8229 -6.8224 -6.8224 -2.3039 -2.3039 -2.3030 -2.3030 -1.8179 -1.8179 -1.8168 -1.8168 0.9947 0.9947 1.0055 1.0055 1.0857 1.0857 1.0969 1.0969 1.3524 1.3524 1.3747 1.3747 2.0074 2.0074 2.0162 2.0162 2.9999 2.9999 3.0055 3.0055 3.3195 3.3195 3.3233 3.3233 4.3707 4.3707 4.3780 4.3780 4.5482 4.5482 4.5640 4.5640 4.6188 4.6188 4.6356 4.6356 4.8608 4.8608 4.8678 4.8678 7.1472 7.1472 7.1479 7.1479 8.6681 8.6681 8.6728 8.6728 9.4295 9.4295 9.4308 9.4308 k = 0.4444 0.5000-0.0000 ( 7834 PWs) bands (ev): -8.4146 -8.4146 -8.4145 -8.4145 -8.0347 -8.0347 -8.0345 -8.0345 -7.1117 -7.1117 -7.1114 -7.1114 -6.8232 -6.8232 -6.8228 -6.8228 -2.2818 -2.2818 -2.2810 -2.2810 -1.8416 -1.8416 -1.8407 -1.8407 1.0388 1.0388 1.0483 1.0483 1.0998 1.0998 1.1124 1.1124 1.3192 1.3192 1.3404 1.3404 2.0008 2.0008 2.0076 2.0076 3.0115 3.0115 3.0158 3.0158 3.2985 3.2985 3.3016 3.3016 4.3822 4.3822 4.3881 4.3881 4.5658 4.5658 4.5831 4.5831 4.6164 4.6164 4.6343 4.6343 4.8484 4.8484 4.8538 4.8538 7.1271 7.1271 7.1276 7.1276 8.6619 8.6619 8.6655 8.6655 9.4483 9.4483 9.4493 9.4493 k = 0.4630 0.5000-0.0000 ( 7834 PWs) bands (ev): -8.3965 -8.3965 -8.3965 -8.3965 -8.0544 -8.0544 -8.0542 -8.0542 -7.1130 -7.1130 -7.1128 -7.1128 -6.8233 -6.8233 -6.8231 -6.8231 -2.2644 -2.2644 -2.2639 -2.2639 -1.8600 -1.8600 -1.8593 -1.8593 1.0754 1.0754 1.0821 1.0821 1.1158 1.1158 1.1316 1.1316 1.2850 1.2850 1.3045 1.3045 1.9962 1.9962 2.0009 2.0009 3.0208 3.0208 3.0238 3.0238 3.2824 3.2824 3.2846 3.2846 4.3911 4.3911 4.3952 4.3952 4.5806 4.5806 4.5985 4.5985 4.6144 4.6144 4.6325 4.6325 4.8389 4.8389 4.8426 4.8426 7.1125 7.1125 7.1128 7.1128 8.6570 8.6570 8.6594 8.6594 9.4658 9.4658 9.4663 9.4663 k = 0.4815 0.5000-0.0000 ( 7840 PWs) bands (ev): -8.3845 -8.3845 -8.3845 -8.3845 -8.0674 -8.0674 -8.0673 -8.0673 -7.1138 -7.1138 -7.1137 -7.1137 -6.8234 -6.8234 -6.8233 -6.8233 -2.2532 -2.2532 -2.2529 -2.2529 -1.8716 -1.8716 -1.8713 -1.8713 1.0954 1.0954 1.0984 1.0984 1.1421 1.1421 1.1568 1.1568 1.2541 1.2541 1.2694 1.2694 1.9939 1.9939 1.9963 1.9963 3.0272 3.0272 3.0288 3.0288 3.2724 3.2724 3.2735 3.2735 4.3970 4.3970 4.3991 4.3991 4.5923 4.5923 4.6051 4.6051 4.6163 4.6163 4.6292 4.6292 4.8331 4.8331 4.8350 4.8350 7.1036 7.1036 7.1037 7.1037 8.6540 8.6540 8.6553 8.6553 9.4767 9.4767 9.4769 9.4769 k = 0.5000 0.5000-0.0000 ( 7840 PWs) bands (ev): -8.3802 -8.3802 -8.3802 -8.3802 -8.0720 -8.0720 -8.0720 -8.0720 -7.1140 -7.1140 -7.1140 -7.1140 -6.8234 -6.8234 -6.8234 -6.8234 -2.2492 -2.2492 -2.2492 -2.2492 -1.8755 -1.8755 -1.8755 -1.8755 1.1014 1.1014 1.1014 1.1014 1.1656 1.1656 1.1656 1.1656 1.2447 1.2447 1.2447 1.2447 1.9940 1.9940 1.9940 1.9940 3.0300 3.0300 3.0300 3.0300 3.2693 3.2693 3.2693 3.2693 4.3997 4.3997 4.3997 4.3997 4.6008 4.6008 4.6008 4.6008 4.6236 4.6236 4.6236 4.6236 4.8318 4.8318 4.8318 4.8318 7.1007 7.1007 7.1007 7.1007 8.6534 8.6534 8.6534 8.6534 9.4797 9.4797 9.4797 9.4797 k = 0.5000 0.5000-0.0000 ( 7840 PWs) bands (ev): -8.3802 -8.3802 -8.3802 -8.3802 -8.0720 -8.0720 -8.0720 -8.0720 -7.1140 -7.1140 -7.1140 -7.1140 -6.8234 -6.8234 -6.8234 -6.8234 -2.2492 -2.2492 -2.2492 -2.2492 -1.8755 -1.8755 -1.8755 -1.8755 1.1014 1.1014 1.1014 1.1014 1.1656 1.1656 1.1656 1.1656 1.2447 1.2447 1.2447 1.2447 1.9940 1.9940 1.9940 1.9940 3.0300 3.0300 3.0300 3.0300 3.2693 3.2693 3.2693 3.2693 4.3997 4.3997 4.3997 4.3997 4.6008 4.6008 4.6008 4.6008 4.6236 4.6236 4.6236 4.6236 4.8318 4.8318 4.8318 4.8318 7.1007 7.1007 7.1007 7.1007 8.6534 8.6534 8.6534 8.6534 9.4797 9.4797 9.4797 9.4797 k = 0.4868 0.4868-0.0000 ( 7840 PWs) bands (ev): -8.3893 -8.3892 -8.3797 -8.3797 -8.0720 -8.0719 -8.0629 -8.0628 -7.1139 -7.1138 -7.1136 -7.1136 -6.8235 -6.8235 -6.8232 -6.8232 -2.2585 -2.2581 -2.2479 -2.2477 -1.8750 -1.8750 -1.8682 -1.8677 1.0942 1.0957 1.0990 1.1000 1.1273 1.1430 1.1661 1.1667 1.2435 1.2455 1.2674 1.2838 1.9922 1.9954 1.9963 1.9967 3.0256 3.0277 3.0290 3.0296 3.2703 3.2707 3.2753 3.2754 4.3957 4.3974 4.3991 4.3999 4.5895 4.5979 4.6004 4.6063 4.6150 4.6222 4.6224 4.6321 4.8319 4.8335 4.8344 4.8365 7.1025 7.1027 7.1048 7.1048 8.6528 8.6539 8.6557 8.6562 9.4723 9.4725 9.4820 9.4821 k = 0.4737 0.4737-0.0000 ( 7834 PWs) bands (ev): -8.4136 -8.4136 -8.3780 -8.3780 -8.0718 -8.0717 -8.0383 -8.0381 -7.1135 -7.1134 -7.1125 -7.1123 -6.8237 -6.8237 -6.8227 -6.8227 -2.2840 -2.2833 -2.2437 -2.2434 -1.8733 -1.8733 -1.8475 -1.8467 1.0719 1.0775 1.0788 1.0923 1.0923 1.0954 1.1673 1.1683 1.2426 1.2457 1.3182 1.3375 1.9902 1.9968 2.0036 2.0044 3.0160 3.0201 3.0268 3.0280 3.2740 3.2747 3.2920 3.2921 4.3864 4.3901 4.3971 4.3991 4.5751 4.5919 4.5944 4.5961 4.6167 4.6189 4.6198 4.6379 4.8340 4.8371 4.8441 4.8480 7.1083 7.1086 7.1171 7.1171 8.6523 8.6546 8.6628 8.6638 9.4535 9.4538 9.4809 9.4821 k = 0.4605 0.4605-0.0000 ( 7828 PWs) bands (ev): -8.4481 -8.4480 -8.3752 -8.3752 -8.0716 -8.0715 -8.0034 -8.0032 -7.1129 -7.1126 -7.1104 -7.1102 -6.8241 -6.8241 -6.8218 -6.8218 -2.3216 -2.3207 -2.2368 -2.2363 -1.8704 -1.8704 -1.8174 -1.8163 1.0199 1.0361 1.0507 1.0557 1.0806 1.0835 1.1695 1.1709 1.2399 1.2436 1.3713 1.3918 1.9878 1.9976 2.0165 2.0178 3.0038 3.0096 3.0233 3.0251 3.2803 3.2814 3.3164 3.3164 4.3726 4.3778 4.3941 4.3973 4.5578 4.5763 4.5825 4.5869 4.6123 4.6155 4.6225 4.6411 4.8378 4.8424 4.8596 4.8651 7.1178 7.1183 7.1376 7.1377 8.6515 8.6550 8.6743 8.6760 9.4282 9.4283 9.4574 9.4591 k = 0.4474 0.4474-0.0000 ( 7854 PWs) bands (ev): -8.4884 -8.4883 -8.3713 -8.3713 -8.0713 -8.0711 -7.9626 -7.9623 -7.1121 -7.1117 -7.1075 -7.1072 -6.8245 -6.8245 -6.8206 -6.8206 -2.3678 -2.3668 -2.2271 -2.2265 -1.8666 -1.8665 -1.7814 -1.7801 0.9676 0.9846 1.0171 1.0213 1.0651 1.0690 1.1725 1.1744 1.2340 1.2380 1.4219 1.4433 1.9849 1.9979 2.0357 2.0373 2.9913 2.9987 3.0187 3.0211 3.2892 3.2906 3.3454 3.3456 4.3552 4.3615 4.3898 4.3942 4.5379 4.5551 4.5690 4.5728 4.6071 4.6132 4.6247 4.6420 4.8430 4.8490 4.8798 4.8864 7.1309 7.1317 7.1662 7.1664 8.6502 8.6550 8.6896 8.6921 9.3997 9.4000 9.4350 9.4370 k = 0.4342 0.4342-0.0000 ( 7854 PWs) bands (ev): -8.5319 -8.5318 -8.3664 -8.3664 -8.0709 -8.0707 -7.9186 -7.9183 -7.1110 -7.1105 -7.1036 -7.1032 -6.8249 -6.8249 -6.8191 -6.8190 -2.4199 -2.4188 -2.2148 -2.2140 -1.8616 -1.8616 -1.7420 -1.7406 0.9173 0.9345 0.9779 0.9816 1.0458 1.0507 1.1761 1.1790 1.2240 1.2284 1.4677 1.4898 1.9813 1.9973 2.0620 2.0637 2.9802 2.9890 3.0131 3.0161 3.3007 3.3024 3.3766 3.3769 4.3352 4.3423 4.3839 4.3896 4.5159 4.5318 4.5510 4.5541 4.6034 4.6127 4.6255 4.6411 4.8495 4.8567 4.9032 4.9106 7.1475 7.1484 7.2029 7.2030 8.6478 8.6538 8.7079 8.7115 9.3707 9.3715 9.4157 9.4179 k = 0.4211 0.4211-0.0000 ( 7858 PWs) bands (ev): -8.5770 -8.5769 -8.3604 -8.3604 -8.0705 -8.0702 -7.8731 -7.8728 -7.1097 -7.1091 -7.0986 -7.0981 -6.8254 -6.8254 -6.8172 -6.8172 -2.4762 -2.4752 -2.1999 -2.1990 -1.8558 -1.8558 -1.7006 -1.6991 0.8696 0.8868 0.9342 0.9373 1.0231 1.0290 1.1792 1.1841 1.2102 1.2159 1.5071 1.5296 1.9769 1.9956 2.0957 2.0973 2.9712 2.9811 3.0070 3.0104 3.3148 3.3169 3.4083 3.4088 4.3137 4.3211 4.3756 4.3825 4.4928 4.5073 4.5286 4.5314 4.6020 4.6141 4.6251 4.6387 4.8571 4.8653 4.9288 4.9367 7.1672 7.1683 7.2473 7.2475 8.6434 8.6506 8.7282 8.7331 9.3437 9.3453 9.3999 9.4024 k = 0.4079 0.4079-0.0000 ( 7860 PWs) bands (ev): -8.6228 -8.6227 -8.3535 -8.3534 -8.0700 -8.0696 -7.8271 -7.8268 -7.1082 -7.1076 -7.0924 -7.0919 -6.8257 -6.8257 -6.8150 -6.8149 -2.5358 -2.5348 -2.1827 -2.1817 -1.8490 -1.8490 -1.6579 -1.6564 0.8246 0.8419 0.8867 0.8892 0.9972 1.0042 1.1762 1.1836 1.1988 1.2063 1.5391 1.5619 1.9715 1.9927 2.1367 2.1380 2.9643 2.9752 3.0006 3.0046 3.3313 3.3338 3.4393 3.4399 4.2915 4.2989 4.3638 4.3718 4.4698 4.4830 4.5025 4.5055 4.6027 4.6176 4.6243 4.6354 4.8657 4.8750 4.9557 4.9639 7.1897 7.1911 7.2994 7.2996 8.6359 8.6443 8.7497 8.7560 9.3211 9.3238 9.3878 9.3905 k = 0.3947 0.3947-0.0000 ( 7866 PWs) bands (ev): -8.6687 -8.6687 -8.3456 -8.3455 -8.0695 -8.0690 -7.7814 -7.7811 -7.1067 -7.1059 -7.0848 -7.0842 -6.8260 -6.8259 -6.8125 -6.8124 -2.5978 -2.5968 -2.1633 -2.1621 -1.8415 -1.8415 -1.6145 -1.6130 0.7826 0.7999 0.8362 0.8381 0.9686 0.9764 1.1596 1.1642 1.2037 1.2077 1.5634 1.5862 1.9652 1.9885 2.1837 2.1845 2.9592 2.9710 2.9949 2.9994 3.3503 3.3533 3.4685 3.4691 4.2693 4.2764 4.3472 4.3559 4.4477 4.4595 4.4743 4.4780 4.6048 4.6220 4.6239 4.6328 4.8756 4.8857 4.9833 4.9916 7.2148 7.2163 7.3587 7.3590 8.6242 8.6334 8.7715 8.7792 9.3054 9.3093 9.3791 9.3821 k = 0.3816 0.3816-0.0000 ( 7870 PWs) bands (ev): -8.7144 -8.7143 -8.3368 -8.3367 -8.0689 -8.0685 -7.7366 -7.7363 -7.1050 -7.1042 -7.0758 -7.0751 -6.8260 -6.8259 -6.8097 -6.8096 -2.6617 -2.6607 -2.1419 -2.1406 -1.8333 -1.8333 -1.5705 -1.5690 0.7437 0.7607 0.7832 0.7847 0.9373 0.9460 1.1348 1.1385 1.2131 1.2154 1.5803 1.6030 1.9579 1.9830 2.2346 2.2347 2.9552 2.9677 2.9910 2.9958 3.3716 3.3752 3.4952 3.4959 4.2478 4.2544 4.3250 4.3339 4.4242 4.4323 4.4504 4.4530 4.6062 4.6218 4.6260 4.6362 4.8870 4.8979 5.0111 5.0194 7.2420 7.2438 7.4250 7.4253 8.6071 8.6169 8.7931 8.8022 9.2984 9.3037 9.3738 9.3771 k = 0.3684 0.3684-0.0000 ( 7876 PWs) bands (ev): -8.7595 -8.7595 -8.3272 -8.3271 -8.0684 -8.0679 -7.6931 -7.6927 -7.1033 -7.1024 -7.0651 -7.0644 -6.8257 -6.8256 -6.8067 -6.8066 -2.7271 -2.7262 -2.1186 -2.1172 -1.8246 -1.8245 -1.5261 -1.5245 0.7077 0.7222 0.7284 0.7319 0.9036 0.9129 1.1063 1.1099 1.2244 1.2260 1.5905 1.6130 1.9496 1.9762 2.2852 2.2864 2.9517 2.9648 2.9906 2.9958 3.3948 3.3992 3.5191 3.5199 4.2277 4.2337 4.2976 4.3063 4.3941 4.3980 4.4348 4.4360 4.6052 4.6174 4.6318 4.6450 4.9007 4.9122 5.0388 5.0470 7.2711 7.2731 7.4976 7.4980 8.5843 8.5944 8.8142 8.8244 9.3009 9.3075 9.3715 9.3751 k = 0.3553 0.3553-0.0000 ( 7862 PWs) bands (ev): -8.8039 -8.8039 -8.3168 -8.3167 -8.0679 -8.0673 -7.6513 -7.6509 -7.1016 -7.1006 -7.0526 -7.0518 -6.8251 -6.8250 -6.8034 -6.8033 -2.7935 -2.7927 -2.0938 -2.0923 -1.8154 -1.8153 -1.4811 -1.4796 0.6704 0.6710 0.6759 0.6941 0.8676 0.8774 1.0759 1.0798 1.2373 1.2384 1.5949 1.6172 1.9405 1.9682 2.3325 2.3349 2.9480 2.9614 2.9962 3.0016 3.4195 3.4250 3.5399 3.5409 4.2098 4.2147 4.2663 4.2748 4.3585 4.3602 4.4236 4.4252 4.6025 4.6121 4.6400 4.6553 4.9174 4.9292 5.0662 5.0741 7.3016 7.3039 7.5760 7.5764 8.5559 8.5660 8.8349 8.8458 9.3126 9.3203 9.3716 9.3756 k = 0.3421 0.3421-0.0000 ( 7862 PWs) bands (ev): -8.8473 -8.8473 -8.3058 -8.3057 -8.0674 -8.0668 -7.6115 -7.6110 -7.0999 -7.0989 -7.0383 -7.0375 -6.8240 -6.8239 -6.7998 -6.7997 -2.8607 -2.8599 -2.0677 -2.0661 -1.8058 -1.8057 -1.4356 -1.4341 0.6131 0.6146 0.6452 0.6638 0.8293 0.8393 1.0448 1.0491 1.2516 1.2525 1.5944 1.6165 1.9305 1.9592 2.3723 2.3758 2.9432 2.9570 3.0108 3.0161 3.4451 3.4518 3.5576 3.5588 4.1947 4.1980 4.2329 4.2409 4.3203 4.3205 4.4147 4.4172 4.5992 4.6067 4.6490 4.6654 4.9378 4.9496 5.0930 5.1007 7.3333 7.3357 7.6595 7.6600 8.5229 8.5329 8.8551 8.8664 9.3321 9.3405 9.3736 9.3779 k = 0.3289 0.3289-0.0000 ( 7868 PWs) bands (ev): -8.8898 -8.8898 -8.2942 -8.2941 -8.0669 -8.0663 -7.5738 -7.5734 -7.0983 -7.0972 -7.0220 -7.0211 -6.8225 -6.8224 -6.7961 -6.7960 -2.9283 -2.9275 -2.0406 -2.0388 -1.7960 -1.7959 -1.3894 -1.3879 0.5551 0.5570 0.6182 0.6367 0.7888 0.7989 1.0141 1.0190 1.2673 1.2680 1.5897 1.6116 1.9197 1.9492 2.4004 2.4051 2.9370 2.9510 3.0370 3.0422 3.4704 3.4789 3.5725 3.5741 4.1823 4.1827 4.2006 4.2059 4.2797 4.2810 4.4071 4.4106 4.5955 4.6014 4.6575 4.6744 4.9626 4.9740 5.1191 5.1265 7.3657 7.3684 7.7474 7.7479 8.4868 8.4966 8.8747 8.8860 9.3574 9.3653 9.3772 9.3811 k = 0.3158 0.3158-0.0000 ( 7866 PWs) bands (ev): -8.9311 -8.9311 -8.2821 -8.2819 -8.0666 -8.0659 -7.5385 -7.5381 -7.0968 -7.0957 -7.0038 -7.0029 -6.8205 -6.8203 -6.7922 -6.7921 -2.9959 -2.9952 -2.0127 -2.0108 -1.7862 -1.7860 -1.3425 -1.3411 0.4971 0.4993 0.5939 0.6125 0.7461 0.7562 0.9846 0.9901 1.2844 1.2849 1.5815 1.6033 1.9083 1.9383 2.4144 2.4202 2.9288 2.9431 3.0763 3.0815 3.4942 3.5045 3.5853 3.5874 4.1557 4.1645 4.1803 4.1828 4.2388 4.2417 4.4002 4.4045 4.5920 4.5964 4.6647 4.6816 4.9919 5.0027 5.1444 5.1516 7.3985 7.4015 7.8386 7.8392 8.4490 8.4586 8.8934 8.9045 9.3764 9.3825 9.3878 9.3975 k = 0.3026 0.3026-0.0000 ( 7859 PWs) bands (ev): -8.9712 -8.9712 -8.2696 -8.2694 -8.0663 -8.0657 -7.5056 -7.5052 -7.0954 -7.0942 -6.9838 -6.9829 -6.8179 -6.8177 -6.7881 -6.7880 -3.0633 -3.0627 -1.9843 -1.9824 -1.7763 -1.7761 -1.2948 -1.2934 0.4395 0.4420 0.5722 0.5909 0.7017 0.7115 0.9570 0.9632 1.3026 1.3030 1.5703 1.5921 1.8964 1.9267 2.4138 2.4204 2.9185 2.9330 3.1280 3.1333 3.5143 3.5264 3.5978 3.6002 4.1204 4.1288 4.1764 4.1782 4.1985 4.2037 4.3933 4.3984 4.5887 4.5919 4.6703 4.6869 5.0257 5.0357 5.1689 5.1759 7.4315 7.4347 7.9323 7.9329 8.4111 8.4206 8.9107 8.9215 9.3761 9.3836 9.4181 9.4281 k = 0.2895 0.2895-0.0000 ( 7855 PWs) bands (ev): -9.0099 -9.0099 -8.2568 -8.2566 -8.0661 -8.0655 -7.4749 -7.4746 -7.0941 -7.0929 -6.9622 -6.9614 -6.8148 -6.8146 -6.7839 -6.7838 -3.1302 -3.1296 -1.9558 -1.9538 -1.7665 -1.7663 -1.2461 -1.2448 0.3827 0.3854 0.5530 0.5718 0.6557 0.6651 0.9317 0.9387 1.3219 1.3223 1.5568 1.5786 1.8839 1.9146 2.4000 2.4071 2.9060 2.9206 3.1897 3.1953 3.5284 3.5414 3.6124 3.6140 4.0841 4.0913 4.1597 4.1644 4.1804 4.1828 4.3864 4.3920 4.5857 4.5879 4.6742 4.6903 5.0634 5.0726 5.1925 5.1994 7.4643 7.4677 8.0270 8.0277 8.3743 8.3836 8.9260 8.9364 9.3703 9.3788 9.4493 9.4589 k = 0.2763 0.2763-0.0000 ( 7855 PWs) bands (ev): -9.0473 -9.0473 -8.2438 -8.2436 -8.0661 -8.0654 -7.4465 -7.4461 -7.0928 -7.0916 -6.9394 -6.9385 -6.8111 -6.8109 -6.7796 -6.7795 -3.1962 -3.1957 -1.9274 -1.9253 -1.7569 -1.7567 -1.1964 -1.1951 0.3271 0.3300 0.5359 0.5548 0.6085 0.6175 0.9091 0.9168 1.3421 1.3424 1.5413 1.5631 1.8711 1.9020 2.3753 2.3826 2.8913 2.9060 3.2578 3.2639 3.5352 3.5477 3.6300 3.6303 4.0484 4.0544 4.1234 4.1311 4.1886 4.1914 4.3791 4.3851 4.5832 4.5845 4.6769 4.6924 5.1042 5.1128 5.2152 5.2221 7.4967 7.5003 8.1214 8.1222 8.3395 8.3488 8.9388 8.9488 9.3565 9.3661 9.4792 9.4883 k = 0.2632 0.2632-0.0000 ( 7853 PWs) bands (ev): -9.0833 -9.0833 -8.2307 -8.2306 -8.0661 -8.0655 -7.4199 -7.4196 -7.0917 -7.0905 -6.9156 -6.9148 -6.8070 -6.8068 -6.7753 -6.7751 -3.2611 -3.2606 -1.8994 -1.8974 -1.7476 -1.7473 -1.1456 -1.1444 0.2731 0.2762 0.5209 0.5398 0.5605 0.5691 0.8894 0.8979 1.3630 1.3632 1.5244 1.5461 1.8580 1.8890 2.3421 2.3493 2.8745 2.8894 3.3283 3.3353 3.5351 3.5465 3.6476 3.6502 4.0145 4.0197 4.0902 4.0997 4.2025 4.2066 4.3712 4.3775 4.5812 4.5818 4.6787 4.6937 5.1471 5.1555 5.2370 5.2443 7.5286 7.5323 8.2136 8.2144 8.3076 8.3168 8.9486 8.9581 9.3328 9.3434 9.5065 9.5149 k = 0.2500 0.2500-0.0000 ( 7857 PWs) bands (ev): -9.1178 -9.1178 -8.2177 -8.2175 -8.0663 -8.0657 -7.3950 -7.3948 -7.0907 -7.0895 -6.8913 -6.8905 -6.8023 -6.8021 -6.7708 -6.7706 -3.3246 -3.3241 -1.8723 -1.8702 -1.7386 -1.7383 -1.0936 -1.0925 0.2209 0.2241 0.5075 0.5123 0.5202 0.5266 0.8728 0.8819 1.3842 1.3844 1.5063 1.5281 1.8447 1.8758 2.3021 2.3090 2.8558 2.8707 3.3965 3.4047 3.5295 3.5397 3.6656 3.6702 3.9848 3.9897 4.0608 4.0714 4.2215 4.2268 4.3627 4.3690 4.5799 4.5800 4.6805 4.6949 5.1910 5.1998 5.2582 5.2664 7.5597 7.5636 8.2784 8.2873 8.3023 8.3027 8.9548 8.9638 9.2995 9.3109 9.5305 9.5379 k = 0.2368 0.2368-0.0000 ( 7847 PWs) bands (ev): -9.1508 -9.1507 -8.2048 -8.2047 -8.0667 -8.0660 -7.3714 -7.3713 -7.0898 -7.0885 -6.8670 -6.8663 -6.7972 -6.7970 -6.7664 -6.7662 -3.3863 -3.3859 -1.8462 -1.8440 -1.7301 -1.7297 -1.0405 -1.0395 0.1709 0.1742 0.4642 0.4717 0.4955 0.5145 0.8592 0.8689 1.4055 1.4058 1.4877 1.5095 1.8312 1.8623 2.2571 2.2635 2.8355 2.8504 3.4563 3.4667 3.5206 3.5290 3.6829 3.6891 3.9619 3.9672 4.0368 4.0477 4.2446 4.2509 4.3533 4.3596 4.5791 4.5793 4.6828 4.6967 5.2337 5.2439 5.2798 5.2898 7.5900 7.5941 8.2534 8.2626 8.3821 8.3829 8.9572 8.9657 9.2602 9.2720 9.5503 9.5566 k = 0.2237 0.2237-0.0000 ( 7845 PWs) bands (ev): -9.1821 -9.1821 -8.1922 -8.1920 -8.0671 -8.0664 -7.3489 -7.3488 -7.0889 -7.0877 -6.8430 -6.8424 -6.7918 -6.7916 -6.7620 -6.7617 -3.4461 -3.4457 -1.8213 -1.8192 -1.7219 -1.7216 -0.9861 -0.9852 0.1234 0.1267 0.4165 0.4236 0.4846 0.5034 0.8488 0.8591 1.4266 1.4269 1.4691 1.4908 1.8177 1.8488 2.2084 2.2140 2.8137 2.8287 3.4941 3.5142 3.5157 3.5166 3.6988 3.7062 3.9471 3.9542 4.0224 4.0322 4.2706 4.2778 4.3430 4.3491 4.5793 4.5796 4.6863 4.6997 5.2708 5.2813 5.3077 5.3182 7.6196 7.6238 8.2317 8.2408 8.4511 8.4518 8.9556 8.9637 9.2208 9.2328 9.5656 9.5707 k = 0.2105 0.2105-0.0000 ( 7853 PWs) bands (ev): -9.2119 -9.2119 -8.1800 -8.1798 -8.0676 -8.0670 -7.3272 -7.3271 -7.0880 -7.0869 -6.8199 -6.8193 -6.7861 -6.7858 -6.7576 -6.7573 -3.5036 -3.5033 -1.7981 -1.7960 -1.7143 -1.7139 -0.9306 -0.9297 0.0784 0.0818 0.3697 0.3763 0.4743 0.4929 0.8415 0.8523 1.4444 1.4472 1.4532 1.4726 1.8042 1.8353 2.1571 2.1616 2.7909 2.8058 3.4877 3.4997 3.5349 3.5422 3.7133 3.7215 3.9361 3.9461 4.0269 4.0338 4.2980 4.3059 4.3321 4.3377 4.5808 4.5810 4.6918 4.7047 5.2981 5.3046 5.3487 5.3555 7.6484 7.6527 8.2133 8.2224 8.5036 8.5043 8.9503 8.9578 9.1885 9.2007 9.5762 9.5800 k = 0.1974 0.1974-0.0000 ( 7851 PWs) bands (ev): -9.2400 -9.2400 -8.1682 -8.1680 -8.0683 -8.0677 -7.3060 -7.3060 -7.0872 -7.0861 -6.7980 -6.7975 -6.7802 -6.7799 -6.7532 -6.7529 -3.5587 -3.5584 -1.7765 -1.7745 -1.7071 -1.7067 -0.8739 -0.8731 0.0364 0.0397 0.3241 0.3303 0.4642 0.4826 0.8373 0.8484 1.4315 1.4522 1.4680 1.4696 1.7908 1.8218 2.1041 2.1075 2.7672 2.7821 3.4720 3.4825 3.5405 3.5489 3.7261 3.7349 3.9222 3.9345 4.0570 4.0610 4.3177 4.3241 4.3282 4.3351 4.5839 4.5839 4.7000 4.7123 5.3181 5.3220 5.3943 5.3986 7.6764 7.6808 8.1979 8.2069 8.5344 8.5350 8.9414 8.9485 9.1704 9.1827 9.5822 9.5847 k = 0.1842 0.1842-0.0000 ( 7859 PWs) bands (ev): -9.2665 -9.2664 -8.1569 -8.1567 -8.0690 -8.0684 -7.2852 -7.2852 -7.0864 -7.0853 -6.7776 -6.7775 -6.7739 -6.7738 -6.7490 -6.7487 -3.6110 -3.6107 -1.7569 -1.7548 -1.7004 -1.7000 -0.8161 -0.8154 -0.0027 0.0006 0.2800 0.2857 0.4539 0.4719 0.8360 0.8474 1.4147 1.4359 1.4862 1.4874 1.7776 1.8084 2.0505 2.0524 2.7431 2.7578 3.4547 3.4643 3.5307 3.5393 3.7373 3.7464 3.9055 3.9187 4.1067 4.1088 4.3067 4.3115 4.3532 4.3614 4.5886 4.5891 4.7115 4.7230 5.3344 5.3370 5.4403 5.4434 7.7038 7.7081 8.1851 8.1940 8.5404 8.5413 8.9295 8.9360 9.1705 9.1829 9.5836 9.5849 k = 0.1711 0.1711-0.0000 ( 7863 PWs) bands (ev): -9.2912 -9.2912 -8.1463 -8.1461 -8.0699 -8.0693 -7.2647 -7.2646 -7.0856 -7.0845 -6.7682 -6.7678 -6.7590 -6.7586 -6.7449 -6.7445 -3.6604 -3.6602 -1.7393 -1.7372 -1.6942 -1.6938 -0.7572 -0.7566 -0.0386 -0.0354 0.2376 0.2429 0.4429 0.4604 0.8374 0.8491 1.3993 1.4202 1.5027 1.5045 1.7647 1.7952 1.9971 1.9974 2.7188 2.7333 3.4368 3.4457 3.5111 3.5195 3.7470 3.7562 3.8882 3.9017 4.1659 4.1668 4.2945 4.2980 4.3773 4.3859 4.5958 4.5970 4.7266 4.7373 5.3485 5.3505 5.4856 5.4881 7.7304 7.7348 8.1745 8.1833 8.5239 8.5250 8.9151 8.9211 9.1877 9.2000 9.5811 9.5812 k = 0.1579 0.1579-0.0000 ( 7867 PWs) bands (ev): -9.3142 -9.3142 -8.1363 -8.1361 -8.0707 -8.0702 -7.2445 -7.2443 -7.0848 -7.0838 -6.7622 -6.7618 -6.7425 -6.7424 -6.7408 -6.7402 -3.7066 -3.7064 -1.7236 -1.7217 -1.6885 -1.6881 -0.6975 -0.6969 -0.0714 -0.0683 0.1971 0.2020 0.4308 0.4476 0.8415 0.8533 1.3855 1.4060 1.5170 1.5194 1.7520 1.7822 1.9434 1.9450 2.6946 2.7087 3.4187 3.4270 3.4863 3.4944 3.7552 3.7644 3.8715 3.8850 4.2235 4.2254 4.2860 4.2863 4.3986 4.4074 4.6067 4.6089 4.7453 4.7551 5.3609 5.3625 5.5297 5.5319 7.7565 7.7608 8.1654 8.1740 8.4905 8.4919 8.8988 8.9043 9.2167 9.2290 9.5741 9.5751 k = 0.1447 0.1447-0.0000 ( 7863 PWs) bands (ev): -9.3354 -9.3354 -8.1271 -8.1269 -8.0717 -8.0712 -7.2244 -7.2242 -7.0840 -7.0830 -6.7563 -6.7559 -6.7371 -6.7367 -6.7281 -6.7277 -3.7496 -3.7494 -1.7101 -1.7082 -1.6833 -1.6828 -0.6370 -0.6364 -0.1009 -0.0979 0.1588 0.1634 0.4170 0.4331 0.8478 0.8597 1.3737 1.3936 1.5283 1.5318 1.7397 1.7694 1.8914 1.8954 2.6708 2.6845 3.4009 3.4086 3.4593 3.4671 3.7619 3.7711 3.8558 3.8690 4.2490 4.2557 4.2997 4.3064 4.4167 4.4257 4.6227 4.6261 4.7672 4.7760 5.3718 5.3733 5.5722 5.5741 7.7817 7.7861 8.1574 8.1659 8.4470 8.4486 8.8812 8.8863 9.2515 9.2640 9.5644 9.5664 k = 0.1316 0.1316-0.0000 ( 7863 PWs) bands (ev): -9.3549 -9.3549 -8.1186 -8.1184 -8.0726 -8.0721 -7.2046 -7.2044 -7.0831 -7.0823 -6.7508 -6.7503 -6.7334 -6.7330 -6.7159 -6.7157 -3.7891 -3.7890 -1.6985 -1.6967 -1.6786 -1.6781 -0.5759 -0.5754 -0.1271 -0.1243 0.1230 0.1271 0.4012 0.4163 0.8562 0.8680 1.3641 1.3832 1.5360 1.5408 1.7278 1.7569 1.8428 1.8493 2.6478 2.6610 3.3836 3.3906 3.4321 3.4396 3.7673 3.7763 3.8415 3.8543 4.2408 4.2462 4.3457 4.3531 4.4318 4.4409 4.6457 4.6502 4.7915 4.7993 5.3815 5.3829 5.6126 5.6144 7.8061 7.8105 8.1501 8.1584 8.3985 8.4002 8.8630 8.8677 9.2877 9.3003 9.5532 9.5560 k = 0.1184 0.1184-0.0000 ( 7853 PWs) bands (ev): -9.3725 -9.3725 -8.1109 -8.1107 -8.0735 -8.0731 -7.1852 -7.1850 -7.0824 -7.0816 -6.7455 -6.7451 -6.7300 -6.7295 -6.7060 -6.7058 -3.8251 -3.8250 -1.6889 -1.6871 -1.6744 -1.6738 -0.5145 -0.5139 -0.1502 -0.1475 0.0897 0.0935 0.3829 0.3969 0.8661 0.8776 1.3567 1.3748 1.5392 1.5456 1.7164 1.7446 1.7990 1.8083 2.6258 2.6383 3.3671 3.3735 3.4061 3.4131 3.7714 3.7801 3.8287 3.8411 4.2278 4.2321 4.3864 4.3944 4.4443 4.4533 4.6767 4.6821 4.8173 4.8240 5.3900 5.3913 5.6506 5.6523 7.8294 7.8338 8.1430 8.1511 8.3488 8.3504 8.8448 8.8490 9.3225 9.3353 9.5413 9.5449 k = 0.1053 0.1053-0.0000 ( 7841 PWs) bands (ev): -9.3884 -9.3884 -8.1040 -8.1039 -8.0744 -8.0740 -7.1665 -7.1662 -7.0816 -7.0809 -6.7407 -6.7402 -6.7267 -6.7262 -6.6983 -6.6982 -3.8574 -3.8573 -1.6810 -1.6793 -1.6705 -1.6699 -0.4529 -0.4524 -0.1702 -0.1676 0.0591 0.0626 0.3617 0.3746 0.8772 0.8883 1.3515 1.3683 1.5372 1.5454 1.7055 1.7321 1.7621 1.7737 2.6052 2.6168 3.3517 3.3575 3.3819 3.3884 3.7742 3.7824 3.8178 3.8294 4.2142 4.2178 4.4172 4.4254 4.4544 4.4633 4.7149 4.7206 4.8436 4.8493 5.3974 5.3986 5.6860 5.6875 7.8515 7.8559 8.1360 8.1437 8.3002 8.3018 8.8271 8.8308 9.3544 9.3675 9.5299 9.5342 k = 0.0921 0.0921-0.0000 ( 7847 PWs) bands (ev): -9.4024 -9.4024 -8.0980 -8.0978 -8.0753 -8.0749 -7.1486 -7.1483 -7.0809 -7.0803 -6.7364 -6.7359 -6.7236 -6.7232 -6.6926 -6.6925 -3.8860 -3.8859 -1.6748 -1.6732 -1.6670 -1.6663 -0.3917 -0.3911 -0.1871 -0.1848 0.0315 0.0346 0.3376 0.3492 0.8889 0.8994 1.3483 1.3637 1.5299 1.5393 1.6954 1.7179 1.7353 1.7464 2.5862 2.5969 3.3375 3.3427 3.3601 3.3661 3.7757 3.7829 3.8093 3.8196 4.2011 4.2041 4.4392 4.4472 4.4628 4.4714 4.7572 4.7629 4.8696 4.8741 5.4037 5.4049 5.7183 5.7197 7.8722 7.8765 8.1287 8.1361 8.2546 8.2561 8.8104 8.8136 9.3829 9.3962 9.5199 9.5248 k = 0.0789 0.0789-0.0000 ( 7843 PWs) bands (ev): -9.4146 -9.4145 -8.0928 -8.0926 -8.0761 -8.0758 -7.1319 -7.1317 -7.0802 -7.0797 -6.7327 -6.7322 -6.7208 -6.7203 -6.6887 -6.6886 -3.9108 -3.9107 -1.6700 -1.6686 -1.6638 -1.6632 -0.3312 -0.3305 -0.2013 -0.1991 0.0071 0.0098 0.3103 0.3206 0.9008 0.9104 1.3469 1.3606 1.5178 1.5277 1.6864 1.7015 1.7195 1.7262 2.5692 2.5787 3.3249 3.3294 3.3411 3.3464 3.7756 3.7811 3.8038 3.8120 4.1890 4.1915 4.4546 4.4621 4.4696 4.4778 4.7999 4.8054 4.8945 4.8979 5.4091 5.4102 5.7472 5.7484 7.8912 7.8954 8.1211 8.1281 8.2132 8.2145 8.7951 8.7979 9.4081 9.4214 9.5119 9.5173 k = 0.0658 0.0658-0.0000 ( 7853 PWs) bands (ev): -9.4249 -9.4249 -8.0884 -8.0883 -8.0768 -8.0765 -7.1168 -7.1166 -7.0796 -7.0791 -6.7295 -6.7291 -6.7182 -6.7178 -6.6862 -6.6862 -3.9318 -3.9318 -1.6664 -1.6652 -1.6610 -1.6605 -0.2720 -0.2712 -0.2127 -0.2108 -0.0141 -0.0117 0.2800 0.2890 0.9123 0.9208 1.3468 1.3586 1.5030 1.5123 1.6788 1.6880 1.7090 1.7118 2.5544 2.5626 3.3139 3.3177 3.3250 3.3295 3.7742 3.7773 3.8010 3.8065 4.1782 4.1801 4.4653 4.4721 4.4753 4.4828 4.8394 4.8445 4.9179 4.9202 5.4135 5.4145 5.7724 5.7734 7.9083 7.9124 8.1135 8.1199 8.1769 8.1779 8.7816 8.7839 9.4304 9.4434 9.5063 9.5122 k = 0.0526 0.0526-0.0000 ( 7853 PWs) bands (ev): -9.4333 -9.4333 -8.0848 -8.0847 -8.0773 -8.0771 -7.1036 -7.1034 -7.0790 -7.0787 -6.7269 -6.7266 -6.7160 -6.7156 -6.6850 -6.6850 -3.9490 -3.9489 -1.6638 -1.6629 -1.6587 -1.6583 -0.2217 -0.2211 -0.2149 -0.2128 -0.0317 -0.0298 0.2472 0.2548 0.9228 0.9300 1.3477 1.3574 1.4878 1.4957 1.6730 1.6787 1.7008 1.7017 2.5421 2.5489 3.3046 3.3078 3.3120 3.3157 3.7717 3.7730 3.7999 3.8031 4.1689 4.1704 4.4729 4.4785 4.4803 4.4865 4.8730 4.8776 4.9395 4.9407 5.4171 5.4179 5.7935 5.7944 7.9234 7.9272 8.1060 8.1117 8.1463 8.1471 8.7701 8.7720 9.4501 9.4623 9.5032 9.5096 k = 0.0395 0.0395-0.0000 ( 7865 PWs) bands (ev): -9.4399 -9.4399 -8.0820 -8.0819 -8.0778 -8.0776 -7.0928 -7.0927 -7.0786 -7.0783 -6.7250 -6.7247 -6.7141 -6.7138 -6.6845 -6.6845 -3.9623 -3.9623 -1.6619 -1.6612 -1.6569 -1.6566 -0.2283 -0.2272 -0.1614 -0.1600 -0.0455 -0.0441 0.2130 0.2192 0.9319 0.9376 1.3491 1.3565 1.4743 1.4805 1.6687 1.6725 1.6943 1.6945 2.5324 2.5377 3.2973 3.2998 3.3022 3.3049 3.7689 3.7692 3.7994 3.8012 4.1615 4.1626 4.4783 4.4822 4.4847 4.4891 4.8991 4.9029 4.9585 4.9591 5.4199 5.4205 5.8104 5.8110 7.9361 7.9394 8.0993 8.1039 8.1220 8.1226 8.7611 8.7624 9.4679 9.4782 9.5022 9.5092 k = 0.0263 0.0263-0.0000 ( 7879 PWs) bands (ev): -9.4446 -9.4446 -8.0800 -8.0800 -8.0781 -8.0780 -7.0848 -7.0847 -7.0782 -7.0780 -6.7236 -6.7234 -6.7127 -6.7125 -6.6845 -6.6845 -3.9719 -3.9719 -1.6605 -1.6601 -1.6556 -1.6554 -0.2328 -0.2320 -0.1140 -0.1126 -0.0555 -0.0546 0.1799 0.1845 0.9390 0.9430 1.3506 1.3556 1.4642 1.4684 1.6659 1.6684 1.6896 1.6897 2.5257 2.5292 3.2919 3.2937 3.2956 3.2973 3.7663 3.7664 3.7992 3.8001 4.1561 4.1568 4.4820 4.4845 4.4879 4.4907 4.9173 4.9200 4.9738 4.9740 5.4219 5.4223 5.8226 5.8231 7.9460 7.9485 8.0938 8.0972 8.1045 8.1048 8.7545 8.7554 9.4836 9.4902 9.5025 9.5106 k = 0.0132 0.0132-0.0000 ( 7891 PWs) bands (ev): -9.4474 -9.4474 -8.0790 -8.0789 -8.0782 -8.0781 -7.0801 -7.0801 -7.0776 -7.0776 -6.7227 -6.7226 -6.7118 -6.7117 -6.6846 -6.6846 -3.9776 -3.9776 -1.6597 -1.6595 -1.6548 -1.6548 -0.2353 -0.2349 -0.0781 -0.0771 -0.0615 -0.0610 0.1533 0.1559 0.9439 0.9459 1.3521 1.3546 1.4582 1.4604 1.6646 1.6658 1.6868 1.6868 2.5220 2.5238 3.2886 3.2896 3.2920 3.2928 3.7645 3.7647 3.7991 3.7995 4.1529 4.1532 4.4844 4.4856 4.4900 4.4914 4.9281 4.9295 4.9838 4.9839 5.4231 5.4234 5.8301 5.8303 7.9526 7.9540 8.0906 8.0923 8.0939 8.0939 8.7506 8.7510 9.4958 9.4971 9.5043 9.5120 k = 0.0000 0.0000 0.0000 ( 7903 PWs) bands (ev): -9.4484 -9.4484 -8.0787 -8.0787 -8.0781 -8.0781 -7.0789 -7.0789 -7.0771 -7.0771 -6.7224 -6.7224 -6.7115 -6.7115 -6.6847 -6.6847 -3.9795 -3.9795 -1.6594 -1.6594 -1.6546 -1.6546 -0.2360 -0.2360 -0.0641 -0.0641 -0.0626 -0.0626 0.1431 0.1431 0.9462 0.9462 1.3534 1.3534 1.4570 1.4570 1.6646 1.6646 1.6859 1.6859 2.5213 2.5213 3.2878 3.2878 3.2910 3.2910 3.7640 3.7640 3.7992 3.7992 4.1519 4.1519 4.4855 4.4855 4.4911 4.4911 4.9321 4.9321 4.9873 4.9873 5.4236 5.4236 5.8327 5.8327 7.9554 7.9554 8.0901 8.0901 8.0902 8.0902 8.7494 8.7494 9.4994 9.4994 9.5096 9.5096 k = 0.0000 0.0000 0.0000 ( 7903 PWs) bands (ev): -9.4484 -9.4484 -8.0787 -8.0787 -8.0781 -8.0781 -7.0789 -7.0789 -7.0771 -7.0771 -6.7224 -6.7224 -6.7115 -6.7115 -6.6847 -6.6847 -3.9795 -3.9795 -1.6594 -1.6594 -1.6546 -1.6546 -0.2360 -0.2360 -0.0641 -0.0641 -0.0626 -0.0626 0.1431 0.1431 0.9462 0.9462 1.3534 1.3534 1.4570 1.4570 1.6646 1.6646 1.6859 1.6859 2.5213 2.5213 3.2878 3.2878 3.2910 3.2910 3.7640 3.7640 3.7992 3.7992 4.1519 4.1519 4.4855 4.4855 4.4911 4.4911 4.9321 4.9321 4.9873 4.9873 5.4236 5.4236 5.8327 5.8327 7.9554 7.9554 8.0901 8.0901 8.0902 8.0902 8.7494 8.7494 9.4994 9.4994 9.5096 9.5096 k = 0.0000 0.0000 0.0180 ( 7895 PWs) bands (ev): -9.4476 -9.4475 -8.1130 -8.1124 -8.0451 -8.0445 -7.0952 -7.0933 -7.0614 -7.0596 -6.7240 -6.7239 -6.7124 -6.7123 -6.6846 -6.6845 -3.9776 -3.9776 -1.7206 -1.7160 -1.5987 -1.5936 -0.2371 -0.2367 -0.1012 -0.0997 -0.0247 -0.0231 0.1462 0.1467 0.9419 0.9430 1.3569 1.3572 1.4533 1.4564 1.6626 1.6674 1.6831 1.6894 2.5214 2.5240 3.2390 3.2417 3.3396 3.3431 3.7466 3.7702 3.7896 3.8148 4.1521 4.1535 4.4680 4.4744 4.4926 4.4973 4.9305 4.9326 4.9867 4.9870 5.4178 5.4179 5.8313 5.8315 7.9551 7.9560 8.0172 8.0173 8.1676 8.1676 8.7562 8.7566 9.4945 9.5053 9.5097 9.5187 k = 0.0000 0.0000 0.0360 ( 7887 PWs) bands (ev): -9.4451 -9.4450 -8.1479 -8.1474 -8.0122 -8.0115 -7.1101 -7.1082 -7.0429 -7.0410 -6.7285 -6.7285 -6.7148 -6.7147 -6.6842 -6.6839 -3.9719 -3.9718 -1.7822 -1.7778 -1.5384 -1.5330 -0.2397 -0.2389 -0.1356 -0.1341 0.0169 0.0187 0.1559 0.1569 0.9304 0.9325 1.3675 1.3681 1.4455 1.4516 1.6613 1.6714 1.6810 1.6940 2.5243 2.5294 3.1933 3.1957 3.3938 3.3977 3.7245 3.7513 3.7998 3.8300 4.1540 4.1568 4.4408 4.4477 4.4888 4.4925 4.9285 4.9316 4.9854 4.9856 5.4006 5.4008 5.8273 5.8277 7.9456 7.9488 7.9570 7.9584 8.2493 8.2494 8.7769 8.7777 9.4947 9.5058 9.5256 9.5303 k = 0.0000 0.0000 0.0541 ( 7891 PWs) bands (ev): -9.4409 -9.4409 -8.1837 -8.1831 -7.9798 -7.9791 -7.1236 -7.1217 -7.0234 -7.0216 -6.7361 -6.7360 -6.7189 -6.7186 -6.6836 -6.6832 -3.9624 -3.9623 -1.8441 -1.8400 -1.4786 -1.4730 -0.2436 -0.2425 -0.1671 -0.1657 0.0603 0.0622 0.1719 0.1732 0.9123 0.9154 1.3846 1.3854 1.4339 1.4429 1.6605 1.6768 1.6792 1.6999 2.5298 2.5373 3.1513 3.1531 3.4501 3.4543 3.6971 3.7233 3.8142 3.8453 4.1576 4.1619 4.4045 4.4118 4.4738 4.4766 4.9264 4.9288 4.9822 4.9845 5.3725 5.3728 5.8208 5.8214 7.8837 7.8849 7.9565 7.9579 8.3351 8.3354 8.8110 8.8122 9.4995 9.5098 9.5196 9.5349 k = 0.0000 0.0000 0.0721 ( 7883 PWs) bands (ev): -9.4351 -9.4350 -8.2201 -8.2196 -7.9479 -7.9472 -7.1354 -7.1335 -7.0033 -7.0015 -6.7464 -6.7464 -6.7245 -6.7242 -6.6827 -6.6823 -3.9493 -3.9492 -1.9063 -1.9024 -1.4195 -1.4137 -0.2485 -0.2471 -0.1955 -0.1941 0.1053 0.1074 0.1936 0.1954 0.8887 0.8926 1.4073 1.4083 1.4187 1.4303 1.6600 1.6776 1.6836 1.7072 2.5377 2.5475 3.1131 3.1144 3.5081 3.5126 3.6641 3.6891 3.8300 3.8617 4.1628 4.1685 4.3600 4.3674 4.4476 4.4497 4.9241 4.9248 4.9774 4.9835 5.3341 5.3345 5.8118 5.8126 7.8242 7.8254 7.9560 7.9582 8.4248 8.4253 8.8579 8.8594 9.4862 9.4961 9.5080 9.5224 k = 0.0000 0.0000 0.0901 ( 7883 PWs) bands (ev): -9.4276 -9.4276 -8.2573 -8.2568 -7.9165 -7.9157 -7.1456 -7.1437 -6.9826 -6.9809 -6.7595 -6.7594 -6.7316 -6.7312 -6.6817 -6.6812 -3.9325 -3.9324 -1.9687 -1.9651 -1.3611 -1.3550 -0.2542 -0.2524 -0.2207 -0.2192 0.1515 0.1538 0.2207 0.2228 0.8603 0.8649 1.4004 1.4144 1.4350 1.4360 1.6594 1.6758 1.6921 1.7161 2.5477 2.5595 3.0792 3.0799 3.5675 3.5719 3.6255 3.6491 3.8475 3.8797 4.1696 4.1767 4.3080 4.3153 4.4108 4.4123 4.9175 4.9236 4.9709 4.9830 5.2864 5.2867 5.8004 5.8015 7.7689 7.7703 7.9543 7.9571 8.5181 8.5187 8.9165 8.9184 9.4504 9.4616 9.5193 9.5328 k = 0.0000 0.0000 0.1081 ( 7871 PWs) bands (ev): -9.4185 -9.4184 -8.2951 -8.2946 -7.8853 -7.8845 -7.1541 -7.1521 -6.9617 -6.9599 -6.7751 -6.7750 -6.7402 -6.7398 -6.6805 -6.6800 -3.9123 -3.9122 -2.0313 -2.0279 -1.3033 -1.2970 -0.2603 -0.2582 -0.2425 -0.2408 0.1985 0.2011 0.2526 0.2550 0.8279 0.8331 1.3795 1.3956 1.4669 1.4681 1.6587 1.6738 1.7024 1.7267 2.5595 2.5730 3.0499 3.0499 3.5796 3.6035 3.6277 3.6338 3.8667 3.8996 4.1775 4.1861 4.2496 4.2565 4.3641 4.3652 4.9091 4.9230 4.9627 4.9830 5.2305 5.2306 5.7866 5.7880 7.7179 7.7195 7.9506 7.9538 8.6146 8.6152 8.9857 8.9879 9.4161 9.4280 9.5325 9.5459 k = 0.0000 0.0000 0.1262 ( 7875 PWs) bands (ev): -9.4078 -9.4077 -8.3336 -8.3331 -7.8544 -7.8536 -7.1607 -7.1588 -6.9406 -6.9388 -6.7932 -6.7930 -6.7502 -6.7497 -6.6792 -6.6787 -3.8887 -3.8886 -2.0940 -2.0908 -1.2464 -1.2399 -0.2669 -0.2642 -0.2607 -0.2585 0.2459 0.2488 0.2888 0.2915 0.7921 0.7977 1.3564 1.3744 1.5026 1.5040 1.6576 1.6711 1.7146 1.7392 2.5727 2.5878 3.0245 3.0252 3.5301 3.5529 3.6884 3.6944 3.8877 3.9215 4.1783 4.1921 4.1938 4.1965 4.3086 4.3093 4.8989 4.9226 4.9529 4.9833 5.1674 5.1677 5.7706 5.7722 7.6712 7.6729 7.9440 7.9478 8.7137 8.7145 9.0641 9.0665 9.3853 9.3977 9.5464 9.5599 k = 0.0000 0.0000 0.1442 ( 7855 PWs) bands (ev): -9.3954 -9.3953 -8.3726 -8.3722 -7.8237 -7.8228 -7.1656 -7.1637 -6.9195 -6.9178 -6.8136 -6.8133 -6.7615 -6.7609 -6.6779 -6.6773 -3.8620 -3.8619 -2.1569 -2.1539 -1.1904 -1.1836 -0.2757 -0.2752 -0.2705 -0.2703 0.2935 0.2967 0.3289 0.3319 0.7533 0.7594 1.3318 1.3514 1.5417 1.5435 1.6561 1.6678 1.7289 1.7537 2.5869 2.6033 3.0040 3.0054 3.4757 3.4979 3.7491 3.7553 3.9104 3.9452 4.1145 4.1230 4.1989 4.2062 4.2457 4.2469 4.8868 4.9219 4.9418 4.9841 5.0983 5.0998 5.7523 5.7543 7.6285 7.6305 7.9341 7.9382 8.8151 8.8160 9.1500 9.1525 9.3588 9.3717 9.5600 9.5736 k = 0.0000 0.0000 0.1622 ( 7851 PWs) bands (ev): -9.3814 -9.3814 -8.4121 -8.4117 -7.7931 -7.7922 -7.1687 -7.1668 -6.8987 -6.8971 -6.8360 -6.8357 -6.7740 -6.7733 -6.6765 -6.6759 -3.8323 -3.8322 -2.2197 -2.2169 -1.1353 -1.1283 -0.2860 -0.2854 -0.2778 -0.2765 0.3406 0.3443 0.3724 0.3756 0.7120 0.7184 1.3061 1.3271 1.5834 1.5864 1.6547 1.6637 1.7452 1.7702 2.6019 2.6193 2.9883 2.9906 3.4175 3.4393 3.8091 3.8155 3.9341 3.9705 4.0421 4.0508 4.1714 4.1758 4.2097 4.2235 4.8725 4.9189 4.9293 4.9853 5.0253 5.0301 5.7319 5.7342 7.5900 7.5921 7.9203 7.9248 8.9184 8.9194 9.2413 9.2440 9.3374 9.3506 9.5726 9.5861 k = 0.0000 0.0000 0.1802 ( 7859 PWs) bands (ev): -9.3659 -9.3658 -8.4521 -8.4517 -7.7624 -7.7615 -7.1700 -7.1682 -6.8784 -6.8767 -6.8603 -6.8600 -6.7876 -6.7869 -6.6751 -6.6745 -3.7998 -3.7996 -2.2826 -2.2800 -1.0812 -1.0741 -0.2929 -0.2922 -0.2843 -0.2828 0.3870 0.3912 0.4186 0.4221 0.6685 0.6752 1.2800 1.3022 1.6233 1.6325 1.6573 1.6586 1.7638 1.7889 2.6172 2.6355 2.9775 2.9806 3.3562 3.3777 3.8674 3.8734 3.9524 3.9670 3.9829 3.9972 4.0973 4.1015 4.2208 4.2341 4.8542 4.9024 4.9156 4.9517 4.9714 4.9871 5.7094 5.7121 7.5555 7.5578 7.9027 7.9074 9.0229 9.0241 9.3211 9.3346 9.3355 9.3384 9.5835 9.5966 k = 0.0000 0.0000 0.1983 ( 7867 PWs) bands (ev): -9.3488 -9.3487 -8.4923 -8.4919 -7.7317 -7.7308 -7.1696 -7.1677 -6.8867 -6.8860 -6.8583 -6.8569 -6.8023 -6.8015 -6.6737 -6.6731 -3.7645 -3.7644 -2.3454 -2.3430 -1.0283 -1.0210 -0.2961 -0.2959 -0.2900 -0.2894 0.4321 0.4369 0.4672 0.4710 0.6232 0.6300 1.2542 1.2773 1.6375 1.6524 1.6815 1.6877 1.7845 1.8097 2.6328 2.6517 2.9714 2.9752 3.2928 3.3141 3.8909 3.8951 3.9197 3.9224 3.9907 4.0218 4.0218 4.0334 4.2314 4.2448 4.8234 4.8476 4.8874 4.9008 4.9502 4.9895 5.6848 5.6879 7.5250 7.5275 7.8811 7.8860 9.1283 9.1296 9.3101 9.3238 9.4295 9.4328 9.5923 9.6046 k = 0.0000 0.0000 0.2163 ( 7859 PWs) bands (ev): -9.3301 -9.3300 -8.5327 -8.5324 -7.7008 -7.6999 -7.1675 -7.1656 -6.9142 -6.9136 -6.8392 -6.8378 -6.8178 -6.8170 -6.6725 -6.6718 -3.7268 -3.7267 -2.4081 -2.4059 -0.9765 -0.9691 -0.3005 -0.2963 -0.2950 -0.2917 0.4755 0.4810 0.5175 0.5215 0.5762 0.5832 1.2292 1.2530 1.6345 1.6452 1.7333 1.7370 1.8076 1.8327 2.6483 2.6678 2.9695 2.9740 3.2280 3.2492 3.8150 3.8201 3.9083 3.9128 3.9992 4.0147 4.0174 4.0548 4.2402 4.2533 4.7649 4.7749 4.8500 4.8849 4.9488 4.9928 5.6581 5.6617 7.4986 7.5012 7.8559 7.8610 9.2339 9.2355 9.3041 9.3180 9.5181 9.5235 9.5999 9.6096 k = 0.0000 0.0000 0.2343 ( 7851 PWs) bands (ev): -9.3100 -9.3098 -8.5733 -8.5730 -7.6698 -7.6688 -7.1637 -7.1618 -6.9432 -6.9426 -6.8344 -6.8333 -6.8209 -6.8193 -6.6714 -6.6707 -3.6868 -3.6867 -2.4707 -2.4687 -0.9261 -0.9185 -0.3074 -0.3037 -0.2901 -0.2874 0.5169 0.5232 0.5280 0.5350 0.5686 0.5728 1.2060 1.2303 1.6283 1.6367 1.7875 1.7908 1.8331 1.8579 2.6637 2.6835 2.9713 2.9763 3.1628 3.1839 3.7412 3.7463 3.8297 3.8320 4.0446 4.0454 4.0587 4.0845 4.2451 4.2571 4.6936 4.7022 4.8273 4.8681 4.9527 4.9973 5.6295 5.6336 7.4761 7.4789 7.8277 7.8328 9.3026 9.3166 9.3391 9.3412 9.5815 9.6064 9.6115 9.6222 k = 0.0000 0.0000 0.2523 ( 7859 PWs) bands (ev): -9.2883 -9.2882 -8.6139 -8.6136 -7.6384 -7.6375 -7.1583 -7.1565 -6.9735 -6.9727 -6.8514 -6.8504 -6.8035 -6.8020 -6.6706 -6.6698 -3.6446 -3.6445 -2.5331 -2.5312 -0.8770 -0.8694 -0.3156 -0.3119 -0.2814 -0.2787 0.4788 0.4858 0.5559 0.5629 0.6196 0.6239 1.1856 1.2101 1.6201 1.6268 1.8430 1.8472 1.8616 1.8853 2.6789 2.6989 2.9758 2.9811 3.0981 3.1192 3.6712 3.6760 3.7408 3.7423 4.0737 4.0929 4.1047 4.1171 4.2426 4.2521 4.6255 4.6368 4.8077 4.8504 4.9598 5.0035 5.5989 5.6036 7.4577 7.4607 7.7969 7.8020 9.3053 9.3194 9.4432 9.4460 9.5912 9.6102 9.6778 9.6837 k = 0.0000 0.0000 0.2703 ( 7847 PWs) bands (ev): -9.2652 -9.2651 -8.6543 -8.6540 -7.6069 -7.6059 -7.1513 -7.1495 -7.0047 -7.0039 -6.8690 -6.8680 -6.7870 -6.7856 -6.6700 -6.6692 -3.6003 -3.6003 -2.5953 -2.5936 -0.8295 -0.8218 -0.3248 -0.3210 -0.2689 -0.2660 0.4289 0.4359 0.5923 0.6000 0.6691 0.6733 1.1693 1.1936 1.6101 1.6154 1.8875 1.9048 1.9056 1.9148 2.6940 2.7140 2.9816 2.9871 3.0348 3.0560 3.6075 3.6118 3.6488 3.6499 4.1020 4.1379 4.1392 4.1587 4.2276 4.2332 4.5691 4.5854 4.7884 4.8319 4.9697 5.0117 5.5664 5.5717 7.4433 7.4464 7.7643 7.7693 9.3116 9.3257 9.5449 9.5488 9.5886 9.6058 9.7357 9.7409 k = 0.0000 0.0000 0.2884 ( 7843 PWs) bands (ev): -9.2407 -9.2405 -8.6946 -8.6943 -7.5750 -7.5740 -7.1430 -7.1412 -7.0368 -7.0359 -6.8871 -6.8860 -6.7717 -6.7703 -6.6698 -6.6690 -3.5543 -3.5543 -2.6571 -2.6556 -0.7835 -0.7758 -0.3354 -0.3313 -0.2526 -0.2496 0.3787 0.3855 0.6257 0.6343 0.7154 0.7189 1.1589 1.1825 1.5978 1.6020 1.9203 1.9463 1.9627 1.9650 2.7089 2.7288 2.9742 2.9837 2.9921 2.9986 3.5529 3.5553 3.5563 3.5563 4.1299 4.1686 4.1744 4.1947 4.1999 4.2008 4.5309 4.5530 4.7690 4.8126 4.9829 5.0226 5.5322 5.5382 7.4329 7.4361 7.7304 7.7354 9.3210 9.3352 9.5821 9.5985 9.6424 9.6481 9.7807 9.7862 k = 0.0000 0.0000 0.3064 ( 7859 PWs) bands (ev): -9.2147 -9.2146 -8.7346 -8.7343 -7.5427 -7.5417 -7.1332 -7.1315 -7.0696 -7.0687 -6.9056 -6.9044 -6.7574 -6.7561 -6.6700 -6.6692 -3.5066 -3.5065 -2.7186 -2.7172 -0.7393 -0.7316 -0.3473 -0.3431 -0.2326 -0.2294 0.3283 0.3349 0.6563 0.6655 0.7560 0.7584 1.1565 1.1786 1.5831 1.5862 1.9541 1.9797 2.0210 2.0243 2.7239 2.7435 2.9177 2.9367 2.9916 2.9936 3.4615 3.4624 3.5107 3.5127 4.1377 4.1433 4.1569 4.1965 4.2170 4.2384 4.5124 4.5394 4.7492 4.7927 4.9996 5.0366 5.4963 5.5031 7.4265 7.4298 7.6961 7.7010 9.3330 9.3472 9.5725 9.5885 9.7321 9.7407 9.8149 9.8209 k = 0.0000 0.0000 0.3244 ( 7867 PWs) bands (ev): -9.1875 -9.1873 -8.7742 -8.7739 -7.5102 -7.5092 -7.1222 -7.1204 -7.1029 -7.1020 -6.9242 -6.9230 -6.7443 -6.7430 -6.6708 -6.6699 -3.4572 -3.4571 -2.7797 -2.7784 -0.6968 -0.6893 -0.3609 -0.3564 -0.2091 -0.2057 0.2780 0.2845 0.6839 0.6938 0.7887 0.7891 1.1642 1.1840 1.5653 1.5678 1.9893 2.0146 2.0775 2.0819 2.7392 2.7584 2.8675 2.8860 2.9888 2.9892 3.3680 3.3690 3.4841 3.4843 4.0714 4.0785 4.1829 4.2229 4.2458 4.2704 4.5093 4.5396 4.7291 4.7722 5.0201 5.0541 5.4588 5.4665 7.4240 7.4275 7.6619 7.6667 9.3472 9.3614 9.5605 9.5761 9.8079 9.8204 9.8412 9.8477 k = 0.0000 0.0000 0.3424 ( 7867 PWs) bands (ev): -9.1589 -9.1587 -8.8132 -8.8130 -7.4773 -7.4763 -7.1367 -7.1359 -7.1098 -7.1082 -6.9430 -6.9417 -6.7324 -6.7311 -6.6721 -6.6712 -3.4064 -3.4062 -2.8404 -2.8392 -0.6564 -0.6489 -0.3764 -0.3716 -0.1822 -0.1786 0.2283 0.2346 0.7087 0.7192 0.8094 0.8117 1.1833 1.1999 1.5441 1.5460 2.0259 2.0507 2.1293 2.1353 2.7550 2.7736 2.8262 2.8435 2.9772 2.9792 3.2759 3.2770 3.4734 3.4753 3.9982 4.0064 4.2073 4.2476 4.2687 4.2961 4.5160 4.5486 4.7085 4.7511 5.0447 5.0755 5.4201 5.4287 7.4255 7.4292 7.6284 7.6332 9.3631 9.3773 9.5464 9.5617 9.8595 9.8652 9.8687 9.8787 k = 0.0000 0.0000 0.3605 ( 7843 PWs) bands (ev): -9.1290 -9.1289 -8.8517 -8.8515 -7.4441 -7.4430 -7.1708 -7.1699 -7.0965 -7.0949 -6.9617 -6.9604 -6.7217 -6.7204 -6.6740 -6.6731 -3.3543 -3.3540 -2.9005 -2.8995 -0.6180 -0.6107 -0.3939 -0.3888 -0.1521 -0.1482 0.1793 0.1854 0.7308 0.7419 0.8195 0.8246 1.2127 1.2260 1.5189 1.5207 2.0632 2.0875 2.1726 2.1809 2.7718 2.7896 2.7978 2.8132 2.9581 2.9628 3.1860 3.1874 3.4803 3.4843 3.9228 3.9315 4.2298 4.2702 4.2852 4.3153 4.5286 4.5629 4.6877 4.7297 5.0731 5.1007 5.3802 5.3900 7.4309 7.4347 7.5962 7.6009 9.3803 9.3946 9.5306 9.5457 9.8774 9.8858 9.8966 9.9125 k = 0.0000 0.0000 0.3785 ( 7836 PWs) bands (ev): -9.0980 -9.0978 -8.8895 -8.8893 -7.4105 -7.4095 -7.2052 -7.2042 -7.0821 -7.0805 -6.9803 -6.9789 -6.7121 -6.7109 -6.6767 -6.6758 -3.3009 -3.3006 -2.9600 -2.9591 -0.5817 -0.5746 -0.4136 -0.4082 -0.1189 -0.1148 0.1314 0.1372 0.7506 0.7621 0.8213 0.8288 1.2499 1.2601 1.4895 1.4914 2.1004 2.1242 2.2030 2.2142 2.7869 2.7898 2.7997 2.8067 2.9340 2.9411 3.0996 3.1014 3.5034 3.5091 3.8479 3.8569 4.2501 4.2902 4.2955 4.3280 4.5448 4.5804 4.6666 4.7079 5.1051 5.1295 5.3396 5.3507 7.4401 7.4439 7.5658 7.5703 9.3986 9.4129 9.5133 9.5283 9.8910 9.8999 9.9133 9.9284 k = 0.0000 0.0000 0.3965 ( 7836 PWs) bands (ev): -9.0658 -9.0656 -8.9266 -8.9263 -7.3767 -7.3757 -7.2396 -7.2386 -7.0668 -7.0653 -6.9985 -6.9971 -6.7036 -6.7024 -6.6802 -6.6792 -3.2464 -3.2460 -3.0189 -3.0181 -0.5477 -0.5408 -0.4356 -0.4299 -0.0829 -0.0785 0.0848 0.0903 0.7682 0.7799 0.8171 0.8264 1.2916 1.2992 1.4560 1.4583 2.1364 2.1593 2.2169 2.2313 2.7971 2.8069 2.8095 2.8253 2.9074 2.9168 3.0180 3.0205 3.5400 3.5471 3.7754 3.7844 4.2675 4.2997 4.3073 4.3343 4.5631 4.5999 4.6454 4.6859 5.1402 5.1617 5.2985 5.3112 7.4529 7.4569 7.5376 7.5420 9.4176 9.4320 9.4951 9.5099 9.9020 9.9117 9.9201 9.9339 k = 0.0000 0.0000 0.4145 ( 7848 PWs) bands (ev): -9.0325 -9.0323 -8.9628 -8.9626 -7.3426 -7.3417 -7.2740 -7.2731 -7.0507 -7.0492 -7.0165 -7.0150 -6.6962 -6.6951 -6.6846 -6.6836 -3.1909 -3.1904 -3.0770 -3.0763 -0.5161 -0.5095 -0.4600 -0.4540 -0.0443 -0.0396 0.0398 0.0451 0.7838 0.7954 0.8087 0.8192 1.3349 1.3406 1.4185 1.4216 2.1694 2.1910 2.2137 2.2312 2.8288 2.8312 2.8359 2.8457 2.8806 2.8919 2.9436 2.9470 3.5875 3.5955 3.7069 3.7157 4.2818 4.2985 4.3208 4.3349 4.5828 4.6206 4.6242 4.6639 5.1777 5.1966 5.2575 5.2720 7.4693 7.4734 7.5118 7.5161 9.4371 9.4515 9.4761 9.4907 9.9108 9.9207 9.9214 9.9333 k = 0.0000 0.0000 0.4326 ( 7844 PWs) bands (ev): -8.9981 -8.9981 -8.9979 -8.9979 -7.3084 -7.3084 -7.3074 -7.3074 -7.0339 -7.0339 -7.0324 -7.0324 -6.6899 -6.6899 -6.6888 -6.6888 -3.1344 -3.1344 -3.1338 -3.1338 -0.4869 -0.4869 -0.4805 -0.4805 -0.0033 -0.0033 0.0017 0.0017 0.7974 0.7974 0.8087 0.8087 1.3778 1.3778 1.3819 1.3819 2.1964 2.1964 2.2163 2.2163 2.8550 2.8550 2.8678 2.8678 2.8792 2.8792 2.8841 2.8841 3.6437 3.6437 3.6523 3.6523 4.2923 4.2923 4.3302 4.3302 4.6033 4.6033 4.6421 4.6421 5.2171 5.2171 5.2335 5.2335 7.4890 7.4890 7.4932 7.4932 9.4566 9.4566 9.4712 9.4712 9.9173 9.9173 9.9288 9.9288 k = 0.0000 0.0000 0.4326 ( 7844 PWs) bands (ev): -8.9981 -8.9981 -8.9979 -8.9979 -7.3084 -7.3084 -7.3074 -7.3074 -7.0339 -7.0339 -7.0324 -7.0324 -6.6899 -6.6899 -6.6888 -6.6888 -3.1344 -3.1344 -3.1338 -3.1338 -0.4869 -0.4869 -0.4805 -0.4805 -0.0033 -0.0033 0.0017 0.0017 0.7974 0.7974 0.8087 0.8087 1.3778 1.3778 1.3819 1.3819 2.1964 2.1964 2.2163 2.2163 2.8550 2.8550 2.8678 2.8678 2.8792 2.8792 2.8841 2.8841 3.6437 3.6437 3.6523 3.6523 4.2923 4.2923 4.3302 4.3302 4.6033 4.6033 4.6421 4.6421 5.2171 5.2171 5.2335 5.2335 7.4890 7.4890 7.4932 7.4932 9.4566 9.4566 9.4712 9.4712 9.9173 9.9173 9.9288 9.9288 k = 0.0000 0.0185 0.4326 ( 7840 PWs) bands (ev): -8.9973 -8.9973 -8.9971 -8.9971 -7.3100 -7.3100 -7.3091 -7.3091 -7.0342 -7.0342 -7.0327 -7.0327 -6.6895 -6.6895 -6.6885 -6.6885 -3.1332 -3.1332 -3.1326 -3.1326 -0.4887 -0.4887 -0.4823 -0.4823 -0.0016 -0.0016 0.0035 0.0035 0.7953 0.7953 0.8067 0.8067 1.3816 1.3816 1.3865 1.3865 2.1963 2.1963 2.2163 2.2163 2.8394 2.8394 2.8468 2.8468 2.8978 2.8978 2.8992 2.8992 3.6430 3.6430 3.6517 3.6517 4.2919 4.2919 4.3298 4.3298 4.6034 4.6034 4.6422 4.6422 5.2177 5.2177 5.2342 5.2342 7.4915 7.4915 7.4957 7.4957 9.4512 9.4512 9.4657 9.4657 9.9144 9.9144 9.9259 9.9259 k = 0.0000 0.0370 0.4326 ( 7832 PWs) bands (ev): -8.9950 -8.9950 -8.9948 -8.9948 -7.3150 -7.3150 -7.3140 -7.3140 -7.0350 -7.0350 -7.0335 -7.0335 -6.6884 -6.6884 -6.6873 -6.6873 -3.1296 -3.1296 -3.1289 -3.1289 -0.4941 -0.4941 -0.4877 -0.4877 0.0037 0.0037 0.0090 0.0090 0.7894 0.7894 0.8011 0.8011 1.3932 1.3932 1.3997 1.3997 2.1962 2.1962 2.2161 2.2161 2.8139 2.8139 2.8201 2.8201 2.9190 2.9190 2.9214 2.9214 3.6409 3.6409 3.6502 3.6502 4.2908 4.2908 4.3285 4.3285 4.6037 4.6037 4.6424 4.6424 5.2196 5.2196 5.2363 5.2363 7.4990 7.4990 7.5032 7.5032 9.4352 9.4352 9.4495 9.4495 9.9060 9.9060 9.9175 9.9175 k = 0.0000 0.0556 0.4326 ( 7828 PWs) bands (ev): -8.9911 -8.9911 -8.9909 -8.9909 -7.3233 -7.3233 -7.3223 -7.3223 -7.0362 -7.0362 -7.0346 -7.0346 -6.6868 -6.6868 -6.6856 -6.6856 -3.1236 -3.1236 -3.1229 -3.1229 -0.5028 -0.5028 -0.4964 -0.4964 0.0120 0.0120 0.0178 0.0178 0.7803 0.7803 0.7923 0.7923 1.4121 1.4121 1.4203 1.4203 2.1960 2.1960 2.2159 2.2159 2.7870 2.7870 2.7929 2.7929 2.9384 2.9384 2.9413 2.9413 3.6379 3.6379 3.6481 3.6481 4.2888 4.2888 4.3263 4.3263 4.6042 4.6042 4.6427 4.6427 5.2227 5.2227 5.2395 5.2395 7.5115 7.5115 7.5156 7.5156 9.4096 9.4096 9.4235 9.4235 9.8928 9.8928 9.9042 9.9042 k = 0.0000 0.0741 0.4326 ( 7840 PWs) bands (ev): -8.9856 -8.9856 -8.9854 -8.9854 -7.3350 -7.3350 -7.3340 -7.3340 -7.0372 -7.0372 -7.0356 -7.0356 -6.6847 -6.6847 -6.6835 -6.6835 -3.1153 -3.1153 -3.1147 -3.1147 -0.5142 -0.5142 -0.5079 -0.5079 0.0231 0.0231 0.0293 0.0293 0.7688 0.7688 0.7812 0.7812 1.4374 1.4374 1.4473 1.4473 2.1960 2.1960 2.2158 2.2158 2.7598 2.7598 2.7657 2.7657 2.9546 2.9546 2.9580 2.9580 3.6347 3.6347 3.6461 3.6461 4.2859 4.2859 4.3231 4.3231 4.6045 4.6045 4.6428 4.6428 5.2268 5.2268 5.2437 5.2437 7.5289 7.5289 7.5330 7.5330 9.3754 9.3754 9.3891 9.3891 9.8756 9.8756 9.8869 9.8869 k = 0.0000 0.0926 0.4326 ( 7862 PWs) bands (ev): -8.9787 -8.9787 -8.9784 -8.9784 -7.3502 -7.3502 -7.3491 -7.3491 -7.0379 -7.0379 -7.0362 -7.0362 -6.6825 -6.6825 -6.6813 -6.6813 -3.1049 -3.1049 -3.1043 -3.1043 -0.5279 -0.5279 -0.5216 -0.5216 0.0364 0.0364 0.0431 0.0431 0.7558 0.7558 0.7685 0.7685 1.4679 1.4679 1.4793 1.4793 2.1963 2.1963 2.2161 2.2161 2.7330 2.7330 2.7390 2.7390 2.9667 2.9667 2.9706 2.9706 3.6321 3.6321 3.6449 3.6449 4.2818 4.2818 4.3187 4.3187 4.6045 4.6045 4.6425 4.6425 5.2316 5.2316 5.2487 5.2487 7.5512 7.5512 7.5551 7.5551 9.3343 9.3343 9.3476 9.3476 9.8555 9.8555 9.8668 9.8668 k = 0.0000 0.1111 0.4326 ( 7862 PWs) bands (ev): -8.9702 -8.9702 -8.9700 -8.9700 -7.3687 -7.3687 -7.3677 -7.3677 -7.0377 -7.0377 -7.0360 -7.0360 -6.6804 -6.6804 -6.6791 -6.6791 -3.0926 -3.0926 -3.0919 -3.0919 -0.5433 -0.5433 -0.5370 -0.5370 0.0514 0.0514 0.0585 0.0585 0.7422 0.7422 0.7552 0.7552 1.5023 1.5023 1.5151 1.5151 2.1972 2.1972 2.2170 2.2170 2.7071 2.7071 2.7135 2.7135 2.9740 2.9740 2.9784 2.9784 3.6311 3.6311 3.6456 3.6456 4.2765 4.2765 4.3130 4.3130 4.6041 4.6041 4.6415 4.6415 5.2368 5.2368 5.2540 5.2540 7.5782 7.5782 7.5819 7.5819 9.2877 9.2877 9.3008 9.3008 9.8338 9.8338 9.8451 9.8451 k = 0.0000 0.1296 0.4326 ( 7854 PWs) bands (ev): -8.9603 -8.9603 -8.9600 -8.9600 -7.3904 -7.3904 -7.3895 -7.3895 -7.0365 -7.0365 -7.0348 -7.0348 -6.6787 -6.6787 -6.6774 -6.6774 -3.0785 -3.0785 -3.0778 -3.0778 -0.5599 -0.5599 -0.5537 -0.5537 0.0677 0.0677 0.0752 0.0752 0.7286 0.7286 0.7418 0.7418 1.5395 1.5395 1.5534 1.5534 2.1991 2.1991 2.2189 2.2189 2.6827 2.6827 2.6894 2.6894 2.9759 2.9759 2.9809 2.9809 3.6325 3.6325 3.6489 3.6489 4.2697 4.2697 4.3056 4.3056 4.6030 4.6030 4.6398 4.6398 5.2419 5.2419 5.2592 5.2592 7.6097 7.6097 7.6134 7.6134 9.2371 9.2371 9.2500 9.2500 9.8116 9.8116 9.8229 9.8229 k = 0.0000 0.1481 0.4326 ( 7866 PWs) bands (ev): -8.9489 -8.9489 -8.9487 -8.9487 -7.4152 -7.4152 -7.4142 -7.4142 -7.0342 -7.0342 -7.0325 -7.0325 -6.6776 -6.6776 -6.6762 -6.6762 -3.0628 -3.0628 -3.0621 -3.0621 -0.5773 -0.5773 -0.5712 -0.5712 0.0846 0.0846 0.0925 0.0925 0.7155 0.7155 0.7287 0.7287 1.5783 1.5783 1.5931 1.5931 2.2024 2.2024 2.2222 2.2222 2.6602 2.6602 2.6673 2.6673 2.9721 2.9721 2.9776 2.9776 3.6371 3.6371 3.6553 3.6553 4.2613 4.2613 4.2966 4.2966 4.6011 4.6011 4.6371 4.6371 5.2465 5.2465 5.2638 5.2638 7.6458 7.6458 7.6493 7.6493 9.1838 9.1838 9.1967 9.1967 9.7900 9.7900 9.8014 9.8014 k = 0.0000 0.1667 0.4326 ( 7856 PWs) bands (ev): -8.9362 -8.9362 -8.9360 -8.9360 -7.4426 -7.4426 -7.4417 -7.4417 -7.0306 -7.0306 -7.0289 -7.0289 -6.6772 -6.6772 -6.6757 -6.6757 -3.0458 -3.0458 -3.0451 -3.0451 -0.5949 -0.5949 -0.5890 -0.5890 0.1020 0.1020 0.1102 0.1102 0.7033 0.7033 0.7165 0.7165 1.6174 1.6174 1.6329 1.6329 2.2075 2.2075 2.2272 2.2272 2.6401 2.6401 2.6477 2.6477 2.9625 2.9625 2.9685 2.9685 3.6452 3.6452 3.6653 3.6653 4.2510 4.2510 4.2856 4.2856 4.5985 4.5985 4.6335 4.6335 5.2500 5.2500 5.2673 5.2673 7.6861 7.6861 7.6896 7.6896 9.1292 9.1292 9.1421 9.1421 9.7700 9.7700 9.7815 9.7815 k = 0.0000 0.1852 0.4326 ( 7852 PWs) bands (ev): -8.9222 -8.9222 -8.9220 -8.9220 -7.4724 -7.4724 -7.4715 -7.4715 -7.0258 -7.0258 -7.0241 -7.0241 -6.6776 -6.6776 -6.6761 -6.6761 -3.0278 -3.0278 -3.0271 -3.0271 -0.6127 -0.6127 -0.6068 -0.6068 0.1194 0.1194 0.1279 0.1279 0.6922 0.6922 0.7053 0.7053 1.6557 1.6557 1.6718 1.6718 2.2148 2.2148 2.2345 2.2345 2.6228 2.6228 2.6310 2.6310 2.9475 2.9475 2.9539 2.9539 3.6570 3.6570 3.6788 3.6788 4.2388 4.2388 4.2726 4.2726 4.5952 4.5952 4.6290 4.6290 5.2520 5.2520 5.2692 5.2692 7.7305 7.7305 7.7339 7.7339 9.0743 9.0743 9.0872 9.0872 9.7526 9.7526 9.7642 9.7642 k = 0.0000 0.2037 0.4326 ( 7848 PWs) bands (ev): -8.9069 -8.9069 -8.9067 -8.9067 -7.5041 -7.5041 -7.5032 -7.5032 -7.0198 -7.0198 -7.0181 -7.0181 -6.6790 -6.6790 -6.6775 -6.6775 -3.0090 -3.0090 -3.0083 -3.0083 -0.6301 -0.6301 -0.6245 -0.6245 0.1367 0.1367 0.1454 0.1454 0.6822 0.6822 0.6952 0.6952 1.6922 1.6922 1.7087 1.7087 2.2247 2.2247 2.2444 2.2444 2.6088 2.6088 2.6176 2.6176 2.9277 2.9277 2.9343 2.9343 3.6721 3.6721 3.6957 3.6957 4.2246 4.2246 4.2574 4.2574 4.5913 4.5913 4.6237 4.6237 5.2518 5.2518 5.2689 5.2689 7.7787 7.7787 7.7823 7.7823 9.0202 9.0202 9.0332 9.0332 9.7384 9.7384 9.7501 9.7501 k = 0.0000 0.2222 0.4326 ( 7862 PWs) bands (ev): -8.8905 -8.8905 -8.8903 -8.8903 -7.5373 -7.5373 -7.5366 -7.5366 -7.0127 -7.0127 -7.0110 -7.0110 -6.6815 -6.6815 -6.6799 -6.6799 -2.9897 -2.9897 -2.9890 -2.9890 -0.6471 -0.6471 -0.6416 -0.6416 0.1536 0.1536 0.1625 0.1625 0.6734 0.6734 0.6863 0.6863 1.7261 1.7261 1.7427 1.7427 2.2375 2.2375 2.2572 2.2572 2.5983 2.5983 2.6079 2.6079 2.9039 2.9039 2.9106 2.9106 3.6902 3.6902 3.7154 3.7154 4.2082 4.2082 4.2400 4.2400 4.5872 4.5872 4.6181 4.6181 5.2490 5.2490 5.2660 5.2660 7.8306 7.8306 7.8343 7.8343 8.9676 8.9676 8.9808 8.9808 9.7279 9.7279 9.7397 9.7397 k = 0.0000 0.2407 0.4326 ( 7862 PWs) bands (ev): -8.8731 -8.8731 -8.8729 -8.8729 -7.5718 -7.5718 -7.5710 -7.5710 -7.0045 -7.0045 -7.0028 -7.0028 -6.6850 -6.6850 -6.6834 -6.6834 -2.9701 -2.9701 -2.9694 -2.9694 -0.6634 -0.6634 -0.6582 -0.6582 0.1701 0.1701 0.1790 0.1790 0.6658 0.6658 0.6784 0.6784 1.7567 1.7567 1.7732 1.7732 2.2530 2.2530 2.2727 2.2727 2.5917 2.5917 2.6020 2.6020 2.8769 2.8769 2.8837 2.8837 3.7106 3.7106 3.7374 3.7374 4.1898 4.1898 4.2204 4.2204 4.5832 4.5832 4.6124 4.6124 5.2430 5.2430 5.2599 5.2599 7.8856 7.8856 7.8898 7.8898 8.9175 8.9175 8.9309 8.9309 9.7216 9.7216 9.7335 9.7335 k = 0.0000 0.2593 0.4326 ( 7862 PWs) bands (ev): -8.8548 -8.8548 -8.8546 -8.8546 -7.6070 -7.6070 -7.6063 -7.6063 -6.9954 -6.9954 -6.9937 -6.9937 -6.6895 -6.6895 -6.6879 -6.6879 -2.9505 -2.9505 -2.9499 -2.9499 -0.6789 -0.6789 -0.6739 -0.6739 0.1860 0.1860 0.1948 0.1948 0.6591 0.6591 0.6713 0.6713 1.7839 1.7839 1.8001 1.8001 2.2708 2.2708 2.2906 2.2906 2.5892 2.5892 2.6001 2.6001 2.8478 2.8478 2.8548 2.8548 3.7327 3.7327 3.7609 3.7609 4.1694 4.1694 4.1988 4.1988 4.5797 4.5797 4.6071 4.6071 5.2335 5.2335 5.2503 5.2503 7.9435 7.9435 7.9482 7.9482 8.8705 8.8705 8.8842 8.8842 9.7197 9.7197 9.7316 9.7316 k = 0.0000 0.2778 0.4326 ( 7874 PWs) bands (ev): -8.8357 -8.8357 -8.8355 -8.8355 -7.6426 -7.6426 -7.6420 -7.6420 -6.9854 -6.9854 -6.9837 -6.9837 -6.6952 -6.6952 -6.6935 -6.6935 -2.9313 -2.9313 -2.9306 -2.9306 -0.6934 -0.6934 -0.6887 -0.6887 0.2013 0.2013 0.2100 0.2100 0.6532 0.6532 0.6650 0.6650 1.8077 1.8077 1.8235 1.8235 2.2896 2.2896 2.3098 2.3098 2.5908 2.5908 2.6022 2.6022 2.8178 2.8178 2.8252 2.8252 3.7558 3.7558 3.7853 3.7853 4.1475 4.1475 4.1755 4.1755 4.5772 4.5772 4.6027 4.6027 5.2202 5.2202 5.2369 5.2369 8.0037 8.0037 8.0091 8.0091 8.8274 8.8274 8.8414 8.8414 9.7221 9.7221 9.7340 9.7340 k = 0.0000 0.2963 0.4326 ( 7870 PWs) bands (ev): -8.8160 -8.8160 -8.8158 -8.8158 -7.6782 -7.6782 -7.6776 -7.6776 -6.9746 -6.9746 -6.9729 -6.9729 -6.7018 -6.7018 -6.7002 -6.7002 -2.9126 -2.9126 -2.9119 -2.9119 -0.7069 -0.7069 -0.7025 -0.7025 0.2160 0.2160 0.2245 0.2245 0.6478 0.6478 0.6590 0.6590 1.8288 1.8288 1.8440 1.8440 2.3082 2.3082 2.3288 2.3288 2.5963 2.5963 2.6082 2.6082 2.7881 2.7881 2.7961 2.7961 3.7791 3.7791 3.8098 3.8098 4.1243 4.1243 4.1509 4.1509 4.5764 4.5764 4.5999 4.5999 5.2029 5.2029 5.2195 5.2195 8.0655 8.0655 8.0718 8.0718 8.7887 8.7887 8.8031 8.8031 9.7290 9.7290 9.7408 9.7408 k = 0.0000 0.3148 0.4326 ( 7868 PWs) bands (ev): -8.7959 -8.7959 -8.7957 -8.7957 -7.7134 -7.7134 -7.7128 -7.7128 -6.9631 -6.9631 -6.9614 -6.9614 -6.7095 -6.7095 -6.7078 -6.7078 -2.8947 -2.8947 -2.8941 -2.8941 -0.7194 -0.7194 -0.7153 -0.7153 0.2302 0.2302 0.2384 0.2384 0.6427 0.6427 0.6533 0.6533 1.8479 1.8479 1.8624 1.8624 2.3246 2.3246 2.3458 2.3458 2.6052 2.6052 2.6174 2.6174 2.7602 2.7602 2.7693 2.7693 3.8019 3.8019 3.8336 3.8336 4.1006 4.1006 4.1256 4.1256 4.5776 4.5776 4.5993 4.5993 5.1813 5.1813 5.1979 5.1979 8.1281 8.1281 8.1354 8.1354 8.7551 8.7551 8.7700 8.7700 9.7400 9.7400 9.7517 9.7517 k = 0.0000 0.3333 0.4326 ( 7866 PWs) bands (ev): -8.7757 -8.7757 -8.7755 -8.7755 -7.7477 -7.7477 -7.7472 -7.7472 -6.9510 -6.9510 -6.9493 -6.9493 -6.7181 -6.7181 -6.7164 -6.7164 -2.8778 -2.8778 -2.8772 -2.8772 -0.7307 -0.7307 -0.7269 -0.7269 0.2437 0.2437 0.2515 0.2515 0.6377 0.6377 0.6476 0.6476 1.8657 1.8657 1.8796 1.8796 2.3371 2.3371 2.3590 2.3590 2.6165 2.6165 2.6290 2.6290 2.7362 2.7362 2.7465 2.7465 3.8234 3.8234 3.8556 3.8556 4.0771 4.0771 4.1005 4.1005 4.5817 4.5817 4.6015 4.6015 5.1557 5.1557 5.1721 5.1721 8.1902 8.1902 8.1988 8.1988 8.7272 8.7272 8.7427 8.7427 9.7550 9.7550 9.7665 9.7665 k = 0.0000 0.3519 0.4326 ( 7852 PWs) bands (ev): -8.7558 -8.7558 -8.7556 -8.7556 -7.7807 -7.7807 -7.7803 -7.7803 -6.9384 -6.9384 -6.9367 -6.9367 -6.7276 -6.7276 -6.7259 -6.7259 -2.8621 -2.8621 -2.8615 -2.8615 -0.7408 -0.7408 -0.7374 -0.7374 0.2567 0.2567 0.2641 0.2641 0.6326 0.6326 0.6418 0.6418 1.8830 1.8830 1.8963 1.8963 2.3442 2.3442 2.3664 2.3664 2.6285 2.6285 2.6411 2.6411 2.7183 2.7183 2.7301 2.7301 3.8426 3.8426 3.8748 3.8748 4.0549 4.0549 4.0765 4.0765 4.5891 4.5891 4.6072 4.6072 5.1261 5.1261 5.1425 5.1425 8.2502 8.2502 8.2601 8.2601 8.7058 8.7058 8.7220 8.7220 9.7736 9.7736 9.7847 9.7847 k = 0.0000 0.3704 0.4326 ( 7864 PWs) bands (ev): -8.7363 -8.7363 -8.7362 -8.7362 -7.8120 -7.8120 -7.8116 -7.8116 -6.9253 -6.9253 -6.9236 -6.9236 -6.7379 -6.7379 -6.7362 -6.7362 -2.8478 -2.8478 -2.8473 -2.8473 -0.7497 -0.7497 -0.7467 -0.7467 0.2691 0.2691 0.2758 0.2758 0.6275 0.6275 0.6358 0.6358 1.9003 1.9003 1.9129 1.9129 2.3448 2.3448 2.3669 2.3669 2.6393 2.6393 2.6515 2.6515 2.7092 2.7092 2.7218 2.7218 3.8587 3.8587 3.8899 3.8899 4.0356 4.0356 4.0549 4.0549 4.6004 4.6004 4.6171 4.6171 5.0928 5.0928 5.1091 5.1091 8.3061 8.3061 8.3173 8.3173 8.6921 8.6921 8.7089 8.7089 9.7953 9.7953 9.8059 9.8059 k = 0.0000 0.3889 0.4326 ( 7856 PWs) bands (ev): -8.7179 -8.7179 -8.7177 -8.7177 -7.8409 -7.8409 -7.8405 -7.8405 -6.9118 -6.9118 -6.9101 -6.9101 -6.7489 -6.7489 -6.7472 -6.7472 -2.8351 -2.8351 -2.8347 -2.8347 -0.7574 -0.7574 -0.7548 -0.7548 0.2807 0.2807 0.2868 0.2868 0.6222 0.6222 0.6296 0.6296 1.9178 1.9178 1.9298 1.9298 2.3390 2.3390 2.3601 2.3601 2.6475 2.6475 2.6583 2.6583 2.7100 2.7100 2.7221 2.7221 3.8706 3.8706 3.8992 3.8992 4.0207 4.0207 4.0368 4.0368 4.6160 4.6160 4.6316 4.6316 5.0563 5.0563 5.0725 5.0725 8.3554 8.3554 8.3675 8.3675 8.6875 8.6875 8.7043 8.7043 9.8192 9.8192 9.8291 9.8291 k = 0.0000 0.4074 0.4326 ( 7850 PWs) bands (ev): -8.7009 -8.7009 -8.7007 -8.7007 -7.8669 -7.8669 -7.8666 -7.8666 -6.8981 -6.8981 -6.8964 -6.8964 -6.7607 -6.7607 -6.7589 -6.7589 -2.8241 -2.8241 -2.8237 -2.8237 -0.7639 -0.7639 -0.7617 -0.7617 0.2913 0.2913 0.2967 0.2967 0.6171 0.6171 0.6235 0.6235 1.9356 1.9356 1.9468 1.9468 2.3279 2.3279 2.3472 2.3472 2.6540 2.6540 2.6628 2.6628 2.7177 2.7177 2.7283 2.7283 3.8777 3.8777 3.9019 3.9019 4.0117 4.0117 4.0234 4.0234 4.6361 4.6361 4.6510 4.6510 5.0171 5.0171 5.0331 5.0331 8.3955 8.3955 8.4075 8.4075 8.6930 8.6930 8.7090 8.7090 9.8437 9.8437 9.8526 9.8526 k = 0.0000 0.4259 0.4326 ( 7852 PWs) bands (ev): -8.6858 -8.6858 -8.6857 -8.6857 -7.8894 -7.8894 -7.8891 -7.8891 -6.8841 -6.8841 -6.8824 -6.8824 -6.7729 -6.7729 -6.7712 -6.7712 -2.8149 -2.8149 -2.8146 -2.8146 -0.7692 -0.7692 -0.7674 -0.7674 0.3008 0.3008 0.3053 0.3053 0.6123 0.6123 0.6176 0.6176 1.9533 1.9533 1.9634 1.9634 2.3134 2.3134 2.3303 2.3303 2.6604 2.6604 2.6672 2.6672 2.7278 2.7278 2.7365 2.7365 3.8802 3.8802 3.8989 3.8989 4.0080 4.0080 4.0152 4.0152 4.6608 4.6608 4.6753 4.6753 4.9759 4.9759 4.9917 4.9917 8.4251 8.4251 8.4358 8.4358 8.7080 8.7080 8.7219 8.7219 9.8653 9.8653 9.8730 9.8730 k = 0.0000 0.4444 0.4326 ( 7856 PWs) bands (ev): -8.6734 -8.6734 -8.6733 -8.6733 -7.9077 -7.9077 -7.9075 -7.9075 -6.8701 -6.8701 -6.8684 -6.8684 -6.7857 -6.7857 -6.7840 -6.7840 -2.8077 -2.8077 -2.8074 -2.8074 -0.7732 -0.7732 -0.7718 -0.7718 0.3089 0.3089 0.3124 0.3124 0.6081 0.6081 0.6122 0.6122 1.9701 1.9701 1.9787 1.9787 2.2982 2.2982 2.3119 2.3119 2.6668 2.6668 2.6719 2.6719 2.7372 2.7372 2.7441 2.7441 3.8795 3.8795 3.8926 3.8926 4.0077 4.0077 4.0112 4.0112 4.6899 4.6899 4.7041 4.7041 4.9335 4.9335 4.9490 4.9490 8.4448 8.4448 8.4531 8.4531 8.7291 8.7291 8.7398 8.7398 9.8780 9.8780 9.8843 9.8843 k = 0.0000 0.4630 0.4326 ( 7868 PWs) bands (ev): -8.6640 -8.6640 -8.6639 -8.6639 -7.9213 -7.9213 -7.9212 -7.9212 -6.8561 -6.8561 -6.8544 -6.8544 -6.7987 -6.7987 -6.7971 -6.7971 -2.8024 -2.8024 -2.8023 -2.8023 -0.7760 -0.7760 -0.7751 -0.7751 0.3151 0.3151 0.3176 0.3176 0.6050 0.6050 0.6079 0.6079 1.9847 1.9847 1.9911 1.9911 2.2851 2.2851 2.2949 2.2949 2.6726 2.6726 2.6761 2.6761 2.7448 2.7448 2.7496 2.7496 3.8777 3.8777 3.8859 3.8859 4.0085 4.0085 4.0099 4.0099 4.7227 4.7227 4.7367 4.7367 4.8911 4.8911 4.9062 4.9062 8.4569 8.4569 8.4624 8.4624 8.7503 8.7503 8.7575 8.7575 9.8783 9.8783 9.8829 9.8829 k = 0.0000 0.4815 0.4326 ( 7864 PWs) bands (ev): -8.6581 -8.6581 -8.6581 -8.6581 -7.9297 -7.9297 -7.9296 -7.9296 -6.8425 -6.8425 -6.8409 -6.8409 -6.8117 -6.8117 -6.8101 -6.8101 -2.7992 -2.7992 -2.7992 -2.7992 -0.7776 -0.7776 -0.7772 -0.7772 0.3193 0.3193 0.3205 0.3205 0.6033 0.6033 0.6048 0.6048 1.9954 1.9954 1.9989 1.9989 2.2769 2.2769 2.2821 2.2821 2.6769 2.6769 2.6787 2.6787 2.7500 2.7500 2.7525 2.7525 3.8765 3.8765 3.8805 3.8805 4.0094 4.0094 4.0098 4.0098 4.7578 4.7578 4.7707 4.7707 4.8513 4.8513 4.8648 4.8648 8.4636 8.4636 8.4663 8.4663 8.7663 8.7663 8.7698 8.7698 9.8731 9.8731 9.8755 9.8755 k = 0.0000 0.5000 0.4326 ( 7892 PWs) bands (ev): -8.6561 -8.6561 -8.6561 -8.6561 -7.9325 -7.9325 -7.9325 -7.9325 -6.8326 -6.8326 -6.8326 -6.8326 -6.8198 -6.8198 -6.8198 -6.8198 -2.7982 -2.7982 -2.7982 -2.7982 -0.7780 -0.7780 -0.7780 -0.7780 0.3211 0.3211 0.3211 0.3211 0.6032 0.6032 0.6032 0.6032 2.0004 2.0004 2.0004 2.0004 2.2757 2.2757 2.2757 2.2757 2.6791 2.6791 2.6791 2.6791 2.7526 2.7526 2.7526 2.7526 3.8773 3.8773 3.8773 3.8773 4.0098 4.0098 4.0098 4.0098 4.7868 4.7868 4.7868 4.7868 4.8335 4.8335 4.8335 4.8335 8.4665 8.4665 8.4665 8.4665 8.7732 8.7732 8.7732 8.7732 9.8711 9.8711 9.8711 9.8711 k = 0.0000 0.5000 0.4326 ( 7892 PWs) bands (ev): -8.6561 -8.6561 -8.6561 -8.6561 -7.9325 -7.9325 -7.9325 -7.9325 -6.8326 -6.8326 -6.8326 -6.8326 -6.8198 -6.8198 -6.8198 -6.8198 -2.7982 -2.7982 -2.7982 -2.7982 -0.7780 -0.7780 -0.7780 -0.7780 0.3211 0.3211 0.3211 0.3211 0.6032 0.6032 0.6032 0.6032 2.0004 2.0004 2.0004 2.0004 2.2757 2.2757 2.2757 2.2757 2.6791 2.6791 2.6791 2.6791 2.7526 2.7526 2.7526 2.7526 3.8773 3.8773 3.8773 3.8773 4.0098 4.0098 4.0098 4.0098 4.7868 4.7868 4.7868 4.7868 4.8335 4.8335 4.8335 4.8335 8.4665 8.4665 8.4665 8.4665 8.7732 8.7732 8.7732 8.7732 9.8711 9.8711 9.8711 9.8711 k = 0.0185 0.5000 0.4326 ( 7856 PWs) bands (ev): -8.6553 -8.6553 -8.6553 -8.6553 -7.9323 -7.9323 -7.9323 -7.9323 -6.8341 -6.8341 -6.8341 -6.8341 -6.8205 -6.8205 -6.8204 -6.8204 -2.7959 -2.7959 -2.7959 -2.7959 -0.7804 -0.7804 -0.7804 -0.7804 0.3234 0.3234 0.3234 0.3234 0.6045 0.6045 0.6045 0.6045 1.9998 1.9998 2.0002 2.0002 2.2757 2.2757 2.2767 2.2767 2.6780 2.6780 2.6786 2.6786 2.7507 2.7507 2.7522 2.7522 3.8776 3.8776 3.8782 3.8782 4.0082 4.0082 4.0090 4.0090 4.7887 4.7887 4.7889 4.7889 4.8329 4.8329 4.8330 4.8330 8.4637 8.4637 8.4643 8.4643 8.7706 8.7706 8.7710 8.7710 9.8689 9.8689 9.8695 9.8695 k = 0.0370 0.5000 0.4326 ( 7856 PWs) bands (ev): -8.6528 -8.6528 -8.6527 -8.6527 -7.9319 -7.9319 -7.9319 -7.9319 -6.8386 -6.8386 -6.8385 -6.8385 -6.8225 -6.8225 -6.8225 -6.8225 -2.7892 -2.7892 -2.7891 -2.7891 -0.7876 -0.7876 -0.7875 -0.7875 0.3300 0.3300 0.3300 0.3300 0.6084 0.6084 0.6085 0.6085 1.9983 1.9983 1.9992 1.9992 2.2769 2.2769 2.2788 2.2788 2.6753 2.6753 2.6766 2.6766 2.7468 2.7468 2.7498 2.7498 3.8789 3.8789 3.8802 3.8802 4.0042 4.0042 4.0059 4.0059 4.7943 4.7943 4.7947 4.7947 4.8314 4.8314 4.8314 4.8314 8.4560 8.4560 8.4570 8.4570 8.7633 8.7633 8.7641 8.7641 9.8633 9.8633 9.8644 9.8644 k = 0.0556 0.5000 0.4326 ( 7864 PWs) bands (ev): -8.6486 -8.6486 -8.6486 -8.6486 -7.9312 -7.9312 -7.9312 -7.9312 -6.8459 -6.8459 -6.8458 -6.8458 -6.8260 -6.8260 -6.8259 -6.8259 -2.7780 -2.7780 -2.7780 -2.7780 -0.7993 -0.7993 -0.7991 -0.7991 0.3407 0.3407 0.3408 0.3408 0.6148 0.6148 0.6149 0.6149 1.9960 1.9960 1.9972 1.9972 2.2788 2.2788 2.2818 2.2818 2.6713 2.6713 2.6732 2.6732 2.7412 2.7412 2.7457 2.7457 3.8811 3.8811 3.8830 3.8830 3.9982 3.9982 4.0006 4.0006 4.8030 4.8030 4.8033 4.8033 4.8293 4.8293 4.8296 4.8296 8.4434 8.4434 8.4450 8.4450 8.7515 8.7515 8.7527 8.7527 9.8551 9.8551 9.8566 9.8566 k = 0.0741 0.5000 0.4326 ( 7860 PWs) bands (ev): -8.6427 -8.6427 -8.6427 -8.6427 -7.9303 -7.9303 -7.9302 -7.9302 -6.8559 -6.8559 -6.8558 -6.8558 -6.8308 -6.8308 -6.8307 -6.8307 -2.7625 -2.7625 -2.7625 -2.7625 -0.8152 -0.8152 -0.8150 -0.8150 0.3552 0.3552 0.3553 0.3553 0.6237 0.6237 0.6239 0.6239 1.9928 1.9928 1.9944 1.9944 2.2814 2.2814 2.2853 2.2853 2.6660 2.6660 2.6686 2.6686 2.7345 2.7345 2.7405 2.7405 3.8836 3.8836 3.8861 3.8861 3.9904 3.9904 3.9934 3.9934 4.8113 4.8113 4.8121 4.8121 4.8291 4.8291 4.8305 4.8305 8.4265 8.4265 8.4285 8.4285 8.7354 8.7354 8.7371 8.7371 9.8452 9.8452 9.8470 9.8470 k = 0.0926 0.5000 0.4326 ( 7852 PWs) bands (ev): -8.6353 -8.6353 -8.6352 -8.6352 -7.9292 -7.9292 -7.9292 -7.9292 -6.8685 -6.8685 -6.8684 -6.8684 -6.8368 -6.8368 -6.8368 -6.8368 -2.7429 -2.7429 -2.7428 -2.7428 -0.8350 -0.8350 -0.8348 -0.8348 0.3731 0.3731 0.3733 0.3733 0.6349 0.6349 0.6352 0.6352 1.9887 1.9887 1.9907 1.9907 2.2841 2.2841 2.2889 2.2889 2.6599 2.6599 2.6630 2.6630 2.7276 2.7276 2.7350 2.7350 3.8858 3.8858 3.8889 3.8889 3.9810 3.9810 3.9845 3.9845 4.8122 4.8122 4.8137 4.8137 4.8381 4.8381 4.8403 4.8403 8.4056 8.4056 8.4082 8.4082 8.7156 8.7156 8.7176 8.7176 9.8348 9.8348 9.8367 9.8367 k = 0.1111 0.5000 0.4326 ( 7848 PWs) bands (ev): -8.6261 -8.6261 -8.6261 -8.6261 -7.9280 -7.9280 -7.9280 -7.9280 -6.8834 -6.8834 -6.8833 -6.8833 -6.8441 -6.8441 -6.8441 -6.8441 -2.7192 -2.7192 -2.7192 -2.7192 -0.8583 -0.8583 -0.8581 -0.8581 0.3939 0.3939 0.3941 0.3941 0.6485 0.6485 0.6488 0.6488 1.9838 1.9838 1.9861 1.9861 2.2864 2.2864 2.2921 2.2921 2.6532 2.6532 2.6568 2.6568 2.7213 2.7213 2.7300 2.7300 3.8870 3.8870 3.8908 3.8908 3.9705 3.9705 3.9743 3.9743 4.8080 4.8080 4.8096 4.8096 4.8540 4.8540 4.8563 4.8563 8.3815 8.3815 8.3846 8.3846 8.6925 8.6925 8.6949 8.6949 9.8248 9.8248 9.8267 9.8267 k = 0.1296 0.5000 0.4326 ( 7840 PWs) bands (ev): -8.6154 -8.6154 -8.6154 -8.6154 -7.9268 -7.9268 -7.9268 -7.9268 -6.9004 -6.9004 -6.9003 -6.9003 -6.8527 -6.8527 -6.8526 -6.8526 -2.6918 -2.6918 -2.6918 -2.6918 -0.8847 -0.8847 -0.8844 -0.8844 0.4170 0.4170 0.4172 0.4172 0.6641 0.6641 0.6645 0.6645 1.9781 1.9781 1.9807 1.9807 2.2878 2.2878 2.2941 2.2941 2.6462 2.6462 2.6503 2.6503 2.7169 2.7169 2.7266 2.7266 3.8867 3.8867 3.8912 3.8912 3.9591 3.9591 3.9631 3.9631 4.8023 4.8023 4.8039 4.8039 4.8721 4.8721 4.8744 4.8744 8.3550 8.3550 8.3586 8.3586 8.6666 8.6666 8.6695 8.6695 9.8161 9.8161 9.8179 9.8179 k = 0.1481 0.5000 0.4326 ( 7832 PWs) bands (ev): -8.6031 -8.6031 -8.6031 -8.6031 -7.9258 -7.9258 -7.9258 -7.9258 -6.9192 -6.9192 -6.9190 -6.9190 -6.8623 -6.8623 -6.8622 -6.8622 -2.6609 -2.6609 -2.6609 -2.6609 -0.9139 -0.9139 -0.9136 -0.9136 0.4420 0.4420 0.4423 0.4423 0.6816 0.6816 0.6821 0.6821 1.9717 1.9717 1.9745 1.9745 2.2875 2.2875 2.2944 2.2944 2.6393 2.6393 2.6439 2.6439 2.7152 2.7152 2.7257 2.7257 3.8842 3.8842 3.8893 3.8893 3.9471 3.9471 3.9512 3.9512 4.7958 4.7958 4.7975 4.7975 4.8910 4.8910 4.8931 4.8931 8.3269 8.3269 8.3310 8.3310 8.6386 8.6386 8.6419 8.6419 9.8091 9.8091 9.8109 9.8109 k = 0.1667 0.5000 0.4326 ( 7828 PWs) bands (ev): -8.5893 -8.5893 -8.5892 -8.5892 -7.9250 -7.9250 -7.9250 -7.9250 -6.9393 -6.9393 -6.9391 -6.9391 -6.8731 -6.8731 -6.8730 -6.8730 -2.6267 -2.6267 -2.6267 -2.6267 -0.9454 -0.9454 -0.9451 -0.9451 0.4683 0.4683 0.4687 0.4687 0.7007 0.7007 0.7013 0.7013 1.9647 1.9647 1.9676 1.9676 2.2852 2.2852 2.2924 2.2924 2.6329 2.6329 2.6379 2.6379 2.7171 2.7171 2.7280 2.7280 3.8791 3.8791 3.8849 3.8849 3.9348 3.9348 3.9388 3.9388 4.7891 4.7891 4.7909 4.7909 4.9095 4.9095 4.9116 4.9116 8.2983 8.2983 8.3028 8.3028 8.6091 8.6091 8.6129 8.6129 9.8044 9.8044 9.8061 9.8061 k = 0.1852 0.5000 0.4326 ( 7824 PWs) bands (ev): -8.5739 -8.5739 -8.5738 -8.5738 -7.9247 -7.9247 -7.9247 -7.9247 -6.9605 -6.9605 -6.9603 -6.9603 -6.8849 -6.8849 -6.8848 -6.8848 -2.5895 -2.5895 -2.5895 -2.5895 -0.9791 -0.9791 -0.9787 -0.9787 0.4956 0.4956 0.4961 0.4961 0.7211 0.7211 0.7218 0.7218 1.9572 1.9572 1.9601 1.9601 2.2803 2.2803 2.2876 2.2876 2.6274 2.6274 2.6327 2.6327 2.7233 2.7233 2.7343 2.7343 3.8712 3.8712 3.8776 3.8776 3.9221 3.9221 3.9260 3.9260 4.7822 4.7822 4.7841 4.7841 4.9270 4.9270 4.9289 4.9289 8.2702 8.2702 8.2751 8.2751 8.5787 8.5787 8.5829 8.5829 9.8021 9.8021 9.8037 9.8037 k = 0.2037 0.5000 0.4326 ( 7840 PWs) bands (ev): -8.5570 -8.5570 -8.5570 -8.5570 -7.9250 -7.9250 -7.9249 -7.9249 -6.9823 -6.9823 -6.9821 -6.9821 -6.8976 -6.8976 -6.8974 -6.8974 -2.5495 -2.5495 -2.5495 -2.5495 -1.0145 -1.0145 -1.0141 -1.0141 0.5235 0.5235 0.5241 0.5241 0.7426 0.7426 0.7434 0.7434 1.9495 1.9495 1.9524 1.9524 2.2730 2.2730 2.2800 2.2800 2.6230 2.6230 2.6286 2.6286 2.7338 2.7338 2.7445 2.7445 3.8604 3.8604 3.8672 3.8672 3.9091 3.9091 3.9130 3.9130 4.7754 4.7754 4.7774 4.7774 4.9426 4.9426 4.9443 4.9443 8.2434 8.2434 8.2487 8.2487 8.5481 8.5481 8.5527 8.5527 9.8023 9.8023 9.8039 9.8039 k = 0.2222 0.5000 0.4326 ( 7844 PWs) bands (ev): -8.5388 -8.5388 -8.5387 -8.5387 -7.9260 -7.9260 -7.9260 -7.9260 -7.0043 -7.0043 -7.0041 -7.0041 -6.9111 -6.9111 -6.9110 -6.9110 -2.5071 -2.5071 -2.5071 -2.5071 -1.0517 -1.0517 -1.0512 -1.0512 0.5517 0.5517 0.5524 0.5524 0.7646 0.7646 0.7656 0.7656 1.9418 1.9418 1.9446 1.9446 2.2631 2.2631 2.2696 2.2696 2.6200 2.6200 2.6258 2.6258 2.7483 2.7483 2.7586 2.7586 3.8470 3.8470 3.8539 3.8539 3.8960 3.8960 3.8998 3.8998 4.7686 4.7686 4.7707 4.7707 4.9557 4.9557 4.9572 4.9572 8.2188 8.2188 8.2246 8.2246 8.5177 8.5177 8.5228 8.5228 9.8051 9.8051 9.8065 9.8065 k = 0.2407 0.5000 0.4326 ( 7848 PWs) bands (ev): -8.5191 -8.5191 -8.5190 -8.5190 -7.9282 -7.9282 -7.9281 -7.9281 -7.0261 -7.0261 -7.0258 -7.0258 -6.9254 -6.9254 -6.9252 -6.9252 -2.4625 -2.4625 -2.4625 -2.4625 -1.0902 -1.0902 -1.0898 -1.0898 0.5798 0.5798 0.5806 0.5806 0.7869 0.7869 0.7879 0.7879 1.9346 1.9346 1.9372 1.9372 2.2511 2.2511 2.2570 2.2570 2.6186 2.6186 2.6245 2.6245 2.7664 2.7664 2.7760 2.7760 3.8310 3.8310 3.8378 3.8378 3.8827 3.8827 3.8868 3.8868 4.7619 4.7619 4.7641 4.7641 4.9658 4.9658 4.9671 4.9671 8.1973 8.1973 8.2034 8.2034 8.4882 8.4882 8.4937 8.4937 9.8103 9.8103 9.8116 9.8116 k = 0.2593 0.5000 0.4326 ( 7832 PWs) bands (ev): -8.4981 -8.4981 -8.4980 -8.4980 -7.9315 -7.9315 -7.9315 -7.9315 -7.0472 -7.0472 -7.0470 -7.0470 -6.9403 -6.9403 -6.9401 -6.9401 -2.4160 -2.4160 -2.4160 -2.4160 -1.1302 -1.1302 -1.1297 -1.1297 0.6077 0.6077 0.6086 0.6086 0.8089 0.8089 0.8100 0.8100 1.9280 1.9280 1.9304 1.9304 2.2374 2.2374 2.2425 2.2425 2.6192 2.6192 2.6250 2.6250 2.7870 2.7870 2.7958 2.7958 3.8127 3.8127 3.8193 3.8193 3.8697 3.8697 3.8739 3.8739 4.7554 4.7554 4.7577 4.7577 4.9725 4.9725 4.9734 4.9734 8.1793 8.1793 8.1858 8.1858 8.4600 8.4600 8.4660 8.4660 9.8178 9.8178 9.8190 9.8190 k = 0.2778 0.5000 0.4326 ( 7844 PWs) bands (ev): -8.4759 -8.4759 -8.4758 -8.4758 -7.9364 -7.9364 -7.9364 -7.9364 -7.0672 -7.0672 -7.0670 -7.0670 -6.9557 -6.9557 -6.9556 -6.9556 -2.3679 -2.3679 -2.3679 -2.3679 -1.1713 -1.1713 -1.1708 -1.1708 0.6351 0.6351 0.6362 0.6362 0.8300 0.8300 0.8314 0.8314 1.9226 1.9226 1.9247 1.9247 2.2224 2.2224 2.2267 2.2267 2.6217 2.6217 2.6274 2.6274 2.8091 2.8091 2.8171 2.8171 3.7928 3.7928 3.7990 3.7990 3.8570 3.8570 3.8614 3.8614 4.7491 4.7491 4.7515 4.7515 4.9753 4.9753 4.9760 4.9760 8.1652 8.1652 8.1721 8.1721 8.4335 8.4335 8.4399 8.4399 9.8275 9.8275 9.8287 9.8287 k = 0.2963 0.5000 0.4326 ( 7836 PWs) bands (ev): -8.4524 -8.4524 -8.4524 -8.4524 -7.9430 -7.9430 -7.9430 -7.9430 -7.0857 -7.0857 -7.0855 -7.0855 -6.9716 -6.9716 -6.9714 -6.9714 -2.3183 -2.3183 -2.3183 -2.3183 -1.2136 -1.2136 -1.2131 -1.2131 0.6620 0.6620 0.6632 0.6632 0.8499 0.8499 0.8514 0.8514 1.9188 1.9188 1.9204 1.9204 2.2064 2.2064 2.2099 2.2099 2.6264 2.6264 2.6318 2.6318 2.8315 2.8315 2.8386 2.8386 3.7720 3.7720 3.7778 3.7778 3.8447 3.8447 3.8493 3.8493 4.7431 4.7431 4.7457 4.7457 4.9741 4.9741 4.9745 4.9745 8.1553 8.1553 8.1625 8.1625 8.4089 8.4089 8.4157 8.4157 9.8393 9.8393 9.8403 9.8403 k = 0.3148 0.5000 0.4326 ( 7832 PWs) bands (ev): -8.4279 -8.4279 -8.4278 -8.4278 -7.9516 -7.9516 -7.9516 -7.9516 -7.1024 -7.1024 -7.1021 -7.1021 -6.9877 -6.9877 -6.9875 -6.9875 -2.2677 -2.2677 -2.2676 -2.2676 -1.2569 -1.2569 -1.2564 -1.2564 0.6880 0.6880 0.6894 0.6894 0.8680 0.8680 0.8696 0.8696 1.9168 1.9168 1.9181 1.9181 2.1899 2.1899 2.1925 2.1925 2.6333 2.6333 2.6383 2.6383 2.8530 2.8530 2.8591 2.8591 3.7512 3.7512 3.7565 3.7565 3.8329 3.8329 3.8375 3.8375 4.7377 4.7377 4.7405 4.7405 4.9689 4.9689 4.9690 4.9690 8.1495 8.1495 8.1570 8.1570 8.3864 8.3864 8.3937 8.3937 9.8529 9.8529 9.8539 9.8539 k = 0.3333 0.5000 0.4326 ( 7824 PWs) bands (ev): -8.4024 -8.4024 -8.4023 -8.4023 -7.9622 -7.9622 -7.9622 -7.9622 -7.1168 -7.1168 -7.1165 -7.1165 -7.0040 -7.0040 -7.0038 -7.0038 -2.2160 -2.2160 -2.2159 -2.2159 -1.3013 -1.3013 -1.3008 -1.3008 0.7133 0.7133 0.7148 0.7148 0.8837 0.8837 0.8855 0.8855 1.9171 1.9171 1.9179 1.9179 2.1730 2.1730 2.1748 2.1748 2.6425 2.6425 2.6471 2.6471 2.8721 2.8721 2.8773 2.8773 3.7316 3.7316 3.7364 3.7364 3.8214 3.8214 3.8260 3.8260 4.7332 4.7332 4.7360 4.7360 4.9596 4.9596 4.9598 4.9598 8.1477 8.1477 8.1555 8.1555 8.3660 8.3660 8.3737 8.3737 9.8683 9.8683 9.8693 9.8693 k = 0.3519 0.5000 0.4326 ( 7816 PWs) bands (ev): -8.3760 -8.3760 -8.3759 -8.3759 -7.9751 -7.9751 -7.9750 -7.9750 -7.1287 -7.1287 -7.1285 -7.1285 -7.0202 -7.0202 -7.0200 -7.0200 -2.1637 -2.1637 -2.1636 -2.1636 -1.3466 -1.3466 -1.3462 -1.3462 0.7376 0.7376 0.7393 0.7393 0.8968 0.8968 0.8988 0.8988 1.9199 1.9199 1.9201 1.9201 2.1559 2.1559 2.1570 2.1570 2.6541 2.6541 2.6582 2.6582 2.8875 2.8875 2.8918 2.8918 3.7144 3.7144 3.7187 3.7187 3.8103 3.8103 3.8146 3.8146 4.7298 4.7298 4.7328 4.7328 4.9465 4.9465 4.9471 4.9471 8.1496 8.1496 8.1576 8.1576 8.3476 8.3476 8.3556 8.3556 9.8854 9.8854 9.8865 9.8865 k = 0.3704 0.5000 0.4326 ( 7828 PWs) bands (ev): -8.3488 -8.3488 -8.3487 -8.3487 -7.9902 -7.9902 -7.9901 -7.9901 -7.1380 -7.1380 -7.1378 -7.1378 -7.0363 -7.0363 -7.0361 -7.0361 -2.1108 -2.1108 -2.1107 -2.1107 -1.3929 -1.3929 -1.3924 -1.3924 0.7609 0.7609 0.7628 0.7628 0.9068 0.9068 0.9089 0.9089 1.9249 1.9249 1.9251 1.9251 2.1388 2.1388 2.1391 2.1391 2.6681 2.6681 2.6716 2.6716 2.8981 2.8981 2.9015 2.9015 3.7007 3.7007 3.7045 3.7045 3.7992 3.7992 3.8034 3.8034 4.7279 4.7279 4.7310 4.7310 4.9303 4.9303 4.9312 4.9312 8.1547 8.1547 8.1630 8.1630 8.3310 8.3310 8.3394 8.3394 9.9042 9.9042 9.9053 9.9053 k = 0.3889 0.5000 0.4326 ( 7824 PWs) bands (ev): -8.3210 -8.3210 -8.3209 -8.3209 -8.0075 -8.0075 -8.0075 -8.0075 -7.1446 -7.1446 -7.1443 -7.1443 -7.0521 -7.0521 -7.0519 -7.0519 -2.0576 -2.0576 -2.0575 -2.0575 -1.4401 -1.4401 -1.4396 -1.4396 0.7831 0.7831 0.7852 0.7852 0.9136 0.9136 0.9158 0.9158 1.9322 1.9322 1.9329 1.9329 2.1213 2.1213 2.1216 2.1216 2.6843 2.6843 2.6873 2.6873 2.9029 2.9029 2.9054 2.9054 3.6912 3.6912 3.6945 3.6945 3.7882 3.7882 3.7921 3.7921 4.7279 4.7279 4.7311 4.7311 4.9114 4.9114 4.9126 4.9126 8.1625 8.1625 8.1710 8.1710 8.3158 8.3158 8.3246 8.3246 9.9246 9.9246 9.9257 9.9257 k = 0.4074 0.5000 0.4326 ( 7820 PWs) bands (ev): -8.2926 -8.2926 -8.2925 -8.2925 -8.0270 -8.0270 -8.0270 -8.0270 -7.1484 -7.1484 -7.1481 -7.1481 -7.0674 -7.0674 -7.0672 -7.0672 -2.0043 -2.0043 -2.0041 -2.0041 -1.4881 -1.4881 -1.4877 -1.4877 0.8041 0.8041 0.8065 0.8065 0.9171 0.9171 0.9194 0.9194 1.9419 1.9419 1.9429 1.9429 2.1035 2.1035 2.1044 2.1044 2.7029 2.7029 2.7052 2.7052 2.9015 2.9015 2.9032 2.9032 3.6865 3.6865 3.6893 3.6893 3.7771 3.7771 3.7807 3.7807 4.7302 4.7302 4.7334 4.7334 4.8906 4.8906 4.8921 4.8921 8.1726 8.1726 8.1812 8.1812 8.3019 8.3019 8.3109 8.3109 9.9465 9.9465 9.9477 9.9477 k = 0.4259 0.5000 0.4326 ( 7820 PWs) bands (ev): -8.2640 -8.2640 -8.2639 -8.2639 -8.0485 -8.0485 -8.0485 -8.0485 -7.1494 -7.1494 -7.1492 -7.1492 -7.0820 -7.0820 -7.0818 -7.0818 -1.9509 -1.9509 -1.9507 -1.9507 -1.5370 -1.5370 -1.5366 -1.5366 0.8238 0.8238 0.8264 0.8264 0.9173 0.9173 0.9197 0.9197 1.9537 1.9537 1.9550 1.9550 2.0858 2.0858 2.0872 2.0872 2.7235 2.7235 2.7253 2.7253 2.8939 2.8939 2.8950 2.8950 3.6863 3.6863 3.6888 3.6888 3.7658 3.7658 3.7690 3.7690 4.7352 4.7352 4.7384 4.7384 4.8686 4.8686 4.8704 4.8704 8.1842 8.1842 8.1930 8.1930 8.2887 8.2887 8.2980 8.2980 9.9700 9.9700 9.9713 9.9713 k = 0.4444 0.5000 0.4326 ( 7828 PWs) bands (ev): -8.2352 -8.2352 -8.2351 -8.2351 -8.0718 -8.0718 -8.0717 -8.0717 -7.1479 -7.1479 -7.1477 -7.1477 -7.0958 -7.0958 -7.0956 -7.0956 -1.8976 -1.8976 -1.8974 -1.8974 -1.5866 -1.5866 -1.5862 -1.5862 0.8421 0.8421 0.8449 0.8449 0.9145 0.9145 0.9168 0.9168 1.9672 1.9672 1.9688 1.9688 2.0681 2.0681 2.0701 2.0701 2.7458 2.7458 2.7472 2.7472 2.8807 2.8807 2.8814 2.8814 3.6903 3.6903 3.6925 3.6925 3.7541 3.7541 3.7571 3.7571 4.7430 4.7430 4.7462 4.7462 4.8462 4.8462 4.8482 4.8482 8.1969 8.1969 8.2057 8.2057 8.2759 8.2759 8.2854 8.2854 9.9949 9.9949 9.9963 9.9963 k = 0.4630 0.5000 0.4326 ( 7828 PWs) bands (ev): -8.2064 -8.2064 -8.2063 -8.2063 -8.0966 -8.0966 -8.0966 -8.0966 -7.1440 -7.1440 -7.1437 -7.1437 -7.1085 -7.1085 -7.1082 -7.1082 -1.8446 -1.8446 -1.8443 -1.8443 -1.6370 -1.6370 -1.6366 -1.6366 0.8587 0.8587 0.8618 0.8618 0.9089 0.9089 0.9110 0.9110 1.9820 1.9820 1.9836 1.9836 2.0507 2.0507 2.0531 2.0531 2.7696 2.7696 2.7705 2.7705 2.8630 2.8630 2.8633 2.8633 3.6975 3.6975 3.6996 3.6996 3.7422 3.7422 3.7448 3.7448 4.7538 4.7538 4.7570 4.7570 4.8242 4.8242 4.8265 4.8265 8.2101 8.2101 8.2188 8.2188 8.2632 8.2632 8.2731 8.2731 10.0213 10.0213 10.0229 10.0229 k = 0.4815 0.5000 0.4326 ( 7824 PWs) bands (ev): -8.1779 -8.1779 -8.1779 -8.1779 -8.1228 -8.1228 -8.1227 -8.1227 -7.1379 -7.1379 -7.1376 -7.1376 -7.1199 -7.1199 -7.1196 -7.1196 -1.7919 -1.7919 -1.7916 -1.7916 -1.6881 -1.6881 -1.6877 -1.6877 0.8730 0.8730 0.8768 0.8768 0.9011 0.9011 0.9027 0.9027 1.9975 1.9975 1.9988 1.9988 2.0337 2.0337 2.0368 2.0368 2.7940 2.7940 2.7946 2.7946 2.8418 2.8418 2.8421 2.8421 3.7071 3.7071 3.7093 3.7093 3.7303 3.7303 3.7325 3.7325 4.7676 4.7676 4.7707 4.7707 4.8035 4.8035 4.8059 4.8059 8.2234 8.2234 8.2316 8.2316 8.2505 8.2505 8.2610 8.2610 10.0488 10.0488 10.0507 10.0507 k = 0.5000 0.5000 0.4326 ( 7832 PWs) bands (ev): -8.1503 -8.1503 -8.1502 -8.1502 -8.1496 -8.1496 -8.1496 -8.1496 -7.1301 -7.1301 -7.1301 -7.1301 -7.1293 -7.1293 -7.1288 -7.1288 -1.7399 -1.7399 -1.7395 -1.7395 -1.7395 -1.7395 -1.7393 -1.7393 0.8812 0.8812 0.8865 0.8865 0.8951 0.8951 0.8951 0.8951 2.0091 2.0091 2.0091 2.0091 2.0216 2.0216 2.0261 2.0261 2.8183 2.8183 2.8183 2.8183 2.8185 2.8185 2.8192 2.8192 3.7164 3.7164 3.7202 3.7202 3.7202 3.7202 3.7208 3.7208 4.7819 4.7819 4.7868 4.7868 4.7868 4.7868 4.7875 4.7875 8.2341 8.2341 8.2400 8.2400 8.2400 8.2400 8.2528 8.2528 10.0737 10.0737 10.0774 10.0774 k = 0.5000 0.5000 0.4326 ( 7832 PWs) bands (ev): -8.1503 -8.1503 -8.1502 -8.1502 -8.1496 -8.1496 -8.1496 -8.1496 -7.1301 -7.1301 -7.1301 -7.1301 -7.1293 -7.1293 -7.1288 -7.1288 -1.7399 -1.7399 -1.7395 -1.7395 -1.7395 -1.7395 -1.7393 -1.7393 0.8812 0.8812 0.8865 0.8865 0.8951 0.8951 0.8951 0.8951 2.0091 2.0091 2.0091 2.0091 2.0216 2.0216 2.0261 2.0261 2.8183 2.8183 2.8183 2.8183 2.8185 2.8185 2.8192 2.8192 3.7164 3.7164 3.7202 3.7202 3.7202 3.7202 3.7208 3.7208 4.7819 4.7819 4.7868 4.7868 4.7868 4.7868 4.7875 4.7875 8.2341 8.2341 8.2400 8.2400 8.2400 8.2400 8.2528 8.2528 10.0737 10.0737 10.0774 10.0778 k = 0.4868 0.4868 0.4326 ( 7824 PWs) bands (ev): -8.1781 -8.1781 -8.1780 -8.1780 -8.1226 -8.1226 -8.1226 -8.1226 -7.1380 -7.1380 -7.1377 -7.1377 -7.1198 -7.1198 -7.1195 -7.1195 -1.7922 -1.7922 -1.7919 -1.7919 -1.6878 -1.6878 -1.6875 -1.6875 0.8730 0.8730 0.8767 0.8767 0.9011 0.9011 0.9028 0.9028 1.9974 1.9974 1.9988 1.9988 2.0338 2.0338 2.0368 2.0368 2.7938 2.7938 2.7944 2.7944 2.8419 2.8419 2.8423 2.8423 3.7067 3.7067 3.7092 3.7092 3.7304 3.7304 3.7329 3.7329 4.7674 4.7674 4.7706 4.7706 4.8035 4.8035 4.8062 4.8062 8.2233 8.2233 8.2315 8.2315 8.2506 8.2506 8.2610 8.2610 10.0487 10.0487 10.0506 10.0506 k = 0.4737 0.4737 0.4326 ( 7830 PWs) bands (ev): -8.2070 -8.2070 -8.2069 -8.2069 -8.0960 -8.0960 -8.0959 -8.0959 -7.1445 -7.1445 -7.1442 -7.1442 -7.1080 -7.1080 -7.1077 -7.1077 -1.8451 -1.8451 -1.8448 -1.8448 -1.6366 -1.6366 -1.6361 -1.6361 0.8584 0.8584 0.8615 0.8615 0.9091 0.9091 0.9113 0.9113 1.9820 1.9820 1.9836 1.9836 2.0507 2.0507 2.0530 2.0530 2.7686 2.7686 2.7698 2.7698 2.8636 2.8636 2.8644 2.8644 3.6957 3.6957 3.6986 3.6986 3.7432 3.7432 3.7465 3.7465 4.7529 4.7529 4.7566 4.7566 4.8246 4.8246 4.8278 4.8278 8.2101 8.2101 8.2187 8.2187 8.2632 8.2632 8.2730 8.2730 10.0211 10.0211 10.0229 10.0229 k = 0.4605 0.4605 0.4326 ( 7822 PWs) bands (ev): -8.2367 -8.2367 -8.2366 -8.2366 -8.0702 -8.0702 -8.0700 -8.0700 -7.1495 -7.1495 -7.1492 -7.1492 -7.0944 -7.0944 -7.0941 -7.0941 -1.8984 -1.8984 -1.8981 -1.8981 -1.5860 -1.5860 -1.5855 -1.5855 0.8414 0.8414 0.8442 0.8442 0.9151 0.9151 0.9175 0.9175 1.9675 1.9675 1.9691 1.9691 2.0677 2.0677 2.0696 2.0696 2.7434 2.7434 2.7454 2.7454 2.8829 2.8829 2.8842 2.8842 3.6850 3.6850 3.6885 3.6885 3.7578 3.7578 3.7618 3.7618 4.7405 4.7405 4.7448 4.7448 4.8477 4.8477 4.8517 4.8517 8.1969 8.1969 8.2056 8.2056 8.2755 8.2755 8.2849 8.2849 9.9951 9.9951 9.9969 9.9969 k = 0.4474 0.4474 0.4326 ( 7830 PWs) bands (ev): -8.2670 -8.2670 -8.2668 -8.2668 -8.0449 -8.0449 -8.0448 -8.0448 -7.1530 -7.1530 -7.1527 -7.1527 -7.0790 -7.0790 -7.0786 -7.0786 -1.9520 -1.9520 -1.9516 -1.9516 -1.5363 -1.5363 -1.5356 -1.5356 0.8224 0.8224 0.8250 0.8250 0.9188 0.9188 0.9212 0.9212 1.9545 1.9545 1.9559 1.9559 2.0844 2.0844 2.0858 2.0858 2.7185 2.7185 2.7214 2.7214 2.8989 2.8989 2.9011 2.9011 3.6751 3.6751 3.6790 3.6790 3.7744 3.7744 3.7790 3.7790 4.7299 4.7299 4.7349 4.7349 4.8727 4.8727 4.8776 4.8776 8.1844 8.1844 8.1929 8.1929 8.2872 8.2872 8.2962 8.2962 9.9709 9.9709 9.9728 9.9728 k = 0.4342 0.4342 0.4326 ( 7842 PWs) bands (ev): -8.2979 -8.2979 -8.2977 -8.2977 -8.0202 -8.0202 -8.0201 -8.0201 -7.1553 -7.1553 -7.1550 -7.1550 -7.0618 -7.0618 -7.0615 -7.0615 -2.0057 -2.0057 -2.0052 -2.0052 -1.4874 -1.4874 -1.4866 -1.4866 0.8017 0.8017 0.8041 0.8041 0.9198 0.9198 0.9223 0.9223 1.9434 1.9434 1.9448 1.9448 2.1006 2.1006 2.1015 2.1015 2.6942 2.6942 2.6981 2.6981 2.9110 2.9110 2.9142 2.9142 3.6662 3.6662 3.6704 3.6704 3.7934 3.7934 3.7983 3.7983 4.7209 4.7209 4.7266 4.7266 4.8992 4.8992 4.9051 4.9051 8.1728 8.1728 8.1811 8.1811 8.2984 8.2984 8.3070 8.3070 9.9487 9.9487 9.9508 9.9508 k = 0.4211 0.4211 0.4326 ( 7838 PWs) bands (ev): -8.3293 -8.3293 -8.3291 -8.3291 -7.9960 -7.9960 -7.9958 -7.9958 -7.1565 -7.1565 -7.1561 -7.1561 -7.0431 -7.0431 -7.0427 -7.0427 -2.0594 -2.0594 -2.0589 -2.0589 -1.4395 -1.4395 -1.4386 -1.4386 0.7794 0.7794 0.7816 0.7816 0.9181 0.9181 0.9206 0.9206 1.9345 1.9345 1.9361 1.9361 2.1158 2.1158 2.1168 2.1168 2.6708 2.6708 2.6758 2.6758 2.9186 2.9186 2.9229 2.9229 3.6590 3.6590 3.6635 3.6635 3.8145 3.8145 3.8198 3.8198 4.7130 4.7130 4.7195 4.7195 4.9269 4.9269 4.9339 4.9339 8.1626 8.1626 8.1707 8.1707 8.3089 8.3089 8.3170 8.3170 9.9287 9.9287 9.9310 9.9310 k = 0.4079 0.4079 0.4326 ( 7844 PWs) bands (ev): -8.3610 -8.3610 -8.3608 -8.3608 -7.9721 -7.9721 -7.9719 -7.9719 -7.1566 -7.1566 -7.1562 -7.1562 -7.0231 -7.0231 -7.0226 -7.0226 -2.1130 -2.1130 -2.1125 -2.1125 -1.3925 -1.3925 -1.3914 -1.3914 0.7557 0.7557 0.7578 0.7578 0.9138 0.9138 0.9163 0.9163 1.9279 1.9279 1.9300 1.9300 2.1301 2.1301 2.1318 2.1318 2.6483 2.6483 2.6544 2.6544 2.9213 2.9213 2.9268 2.9268 3.6538 3.6538 3.6588 3.6588 3.8378 3.8378 3.8434 3.8434 4.7059 4.7059 4.7131 4.7131 4.9554 4.9554 4.9635 4.9635 8.1543 8.1543 8.1622 8.1622 8.3186 8.3186 8.3262 8.3262 9.9108 9.9108 9.9133 9.9133 k = 0.3947 0.3947 0.4326 ( 7846 PWs) bands (ev): -8.3930 -8.3930 -8.3928 -8.3928 -7.9484 -7.9484 -7.9482 -7.9482 -7.1558 -7.1558 -7.1553 -7.1553 -7.0018 -7.0018 -7.0012 -7.0012 -2.1665 -2.1665 -2.1659 -2.1659 -1.3466 -1.3466 -1.3453 -1.3453 0.7306 0.7306 0.7327 0.7327 0.9068 0.9068 0.9093 0.9093 1.9238 1.9238 1.9265 1.9265 2.1436 2.1436 2.1463 2.1463 2.6268 2.6268 2.6341 2.6341 2.9189 2.9189 2.9256 2.9256 3.6512 3.6512 3.6570 3.6570 3.8626 3.8626 3.8691 3.8691 4.6991 4.6991 4.7073 4.7073 4.9844 4.9844 4.9936 4.9936 8.1484 8.1484 8.1559 8.1559 8.3275 8.3275 8.3345 8.3345 9.8949 9.8949 9.8976 9.8976 k = 0.3816 0.3816 0.4326 ( 7846 PWs) bands (ev): -8.4252 -8.4252 -8.4250 -8.4250 -7.9249 -7.9249 -7.9246 -7.9246 -7.1542 -7.1542 -7.1537 -7.1537 -6.9796 -6.9796 -6.9790 -6.9790 -2.2196 -2.2196 -2.2190 -2.2190 -1.3017 -1.3017 -1.3003 -1.3003 0.7044 0.7044 0.7065 0.7065 0.8974 0.8974 0.8999 0.8999 1.9221 1.9221 1.9257 1.9257 2.1564 2.1564 2.1603 2.1603 2.6065 2.6065 2.6149 2.6149 2.9116 2.9116 2.9194 2.9194 3.6513 3.6513 3.6584 3.6584 3.8887 3.8887 3.8962 3.8962 4.6924 4.6924 4.7016 4.7016 5.0135 5.0135 5.0237 5.0237 8.1450 8.1450 8.1522 8.1522 8.3354 8.3354 8.3418 8.3418 9.8807 9.8807 9.8835 9.8835 k = 0.3684 0.3684 0.4326 ( 7846 PWs) bands (ev): -8.4573 -8.4573 -8.4571 -8.4571 -7.9013 -7.9013 -7.9010 -7.9010 -7.1519 -7.1519 -7.1513 -7.1513 -6.9567 -6.9567 -6.9560 -6.9560 -2.2723 -2.2723 -2.2717 -2.2717 -1.2578 -1.2578 -1.2562 -1.2562 0.6772 0.6772 0.6795 0.6795 0.8857 0.8857 0.8883 0.8883 1.9228 1.9228 1.9273 1.9273 2.1684 2.1684 2.1738 2.1738 2.5873 2.5873 2.5968 2.5968 2.8998 2.8998 2.9087 2.9087 3.6544 3.6544 3.6629 3.6629 3.9153 3.9153 3.9243 3.9243 4.6856 4.6856 4.6958 4.6958 5.0422 5.0422 5.0534 5.0534 8.1444 8.1444 8.1513 8.1513 8.3423 8.3423 8.3481 8.3481 9.8675 9.8675 9.8705 9.8705 k = 0.3553 0.3553 0.4326 ( 7846 PWs) bands (ev): -8.4894 -8.4894 -8.4892 -8.4892 -7.8777 -7.8777 -7.8773 -7.8773 -7.1489 -7.1489 -7.1484 -7.1484 -6.9334 -6.9334 -6.9327 -6.9327 -2.3245 -2.3245 -2.3238 -2.3238 -1.2151 -1.2151 -1.2133 -1.2133 0.6490 0.6490 0.6517 0.6517 0.8720 0.8720 0.8749 0.8749 1.9255 1.9255 1.9309 1.9309 2.1797 2.1797 2.1867 2.1867 2.5696 2.5696 2.5801 2.5801 2.8846 2.8846 2.8942 2.8942 3.6601 3.6601 3.6704 3.6704 3.9420 3.9420 3.9527 3.9527 4.6786 4.6786 4.6900 4.6900 5.0702 5.0702 5.0824 5.0824 8.1464 8.1464 8.1530 8.1530 8.3484 8.3484 8.3537 8.3537 9.8544 9.8544 9.8575 9.8575 k = 0.3421 0.3421 0.4326 ( 7826 PWs) bands (ev): -8.5212 -8.5212 -8.5209 -8.5209 -7.8539 -7.8539 -7.8535 -7.8535 -7.1454 -7.1454 -7.1448 -7.1448 -6.9100 -6.9100 -6.9092 -6.9092 -2.3759 -2.3759 -2.3752 -2.3752 -1.1734 -1.1734 -1.1714 -1.1714 0.6202 0.6202 0.6232 0.6232 0.8567 0.8567 0.8599 0.8599 1.9298 1.9298 1.9362 1.9362 2.1902 2.1902 2.1988 2.1988 2.5533 2.5533 2.5647 2.5647 2.8668 2.8668 2.8771 2.8771 3.6683 3.6683 3.6803 3.6803 3.9680 3.9680 3.9808 3.9808 4.6714 4.6714 4.6841 4.6841 5.0973 5.0973 5.1103 5.1103 8.1507 8.1507 8.1568 8.1568 8.3540 8.3540 8.3589 8.3589 9.8404 9.8404 9.8435 9.8435 k = 0.3289 0.3289 0.4326 ( 7814 PWs) bands (ev): -8.5526 -8.5526 -8.5524 -8.5524 -7.8298 -7.8298 -7.8294 -7.8294 -7.1414 -7.1414 -7.1408 -7.1408 -6.8867 -6.8867 -6.8858 -6.8858 -2.4266 -2.4266 -2.4258 -2.4258 -1.1328 -1.1328 -1.1306 -1.1306 0.5907 0.5907 0.5943 0.5943 0.8402 0.8402 0.8438 0.8438 1.9351 1.9351 1.9425 1.9425 2.1994 2.1994 2.2098 2.2098 2.5386 2.5386 2.5509 2.5509 2.8478 2.8478 2.8585 2.8585 3.6781 3.6781 3.6919 3.6919 3.9929 3.9929 4.0079 4.0079 4.6642 4.6642 4.6783 4.6783 5.1230 5.1230 5.1368 5.1368 8.1560 8.1560 8.1617 8.1617 8.3597 8.3597 8.3648 8.3648 9.8239 9.8239 9.8272 9.8272 k = 0.3158 0.3158 0.4326 ( 7826 PWs) bands (ev): -8.5835 -8.5835 -8.5833 -8.5833 -7.8055 -7.8055 -7.8051 -7.8051 -7.1370 -7.1370 -7.1363 -7.1363 -6.8637 -6.8637 -6.8628 -6.8628 -2.4763 -2.4763 -2.4756 -2.4756 -1.0932 -1.0932 -1.0908 -1.0908 0.5607 0.5607 0.5648 0.5648 0.8229 0.8229 0.8271 0.8271 1.9407 1.9407 1.9491 1.9491 2.2072 2.2072 2.2194 2.2194 2.5257 2.5257 2.5386 2.5386 2.8292 2.8292 2.8401 2.8401 3.6891 3.6891 3.7045 3.7045 4.0162 4.0162 4.0336 4.0336 4.6572 4.6572 4.6728 4.6728 5.1472 5.1472 5.1617 5.1617 8.1606 8.1606 8.1661 8.1661 8.3671 8.3671 8.3729 8.3729 9.8042 9.8042 9.8079 9.8079 k = 0.3026 0.3026 0.4326 ( 7826 PWs) bands (ev): -8.6139 -8.6139 -8.6137 -8.6137 -7.7808 -7.7808 -7.7804 -7.7804 -7.1323 -7.1323 -7.1315 -7.1315 -6.8414 -6.8414 -6.8404 -6.8404 -2.5250 -2.5250 -2.5242 -2.5242 -1.0547 -1.0547 -1.0521 -1.0521 0.5304 0.5304 0.5351 0.5351 0.8052 0.8052 0.8101 0.8101 1.9458 1.9458 1.9554 1.9554 2.2132 2.2132 2.2272 2.2272 2.5146 2.5146 2.5280 2.5280 2.8124 2.8124 2.8235 2.8235 3.7002 3.7002 3.7172 3.7172 4.0375 4.0375 4.0574 4.0574 4.6506 4.6506 4.6678 4.6678 5.1695 5.1695 5.1847 5.1847 8.1621 8.1621 8.1675 8.1675 8.3781 8.3781 8.3853 8.3853 9.7814 9.7814 9.7855 9.7855 k = 0.2895 0.2895 0.4326 ( 7830 PWs) bands (ev): -8.6437 -8.6437 -8.6434 -8.6434 -7.7559 -7.7559 -7.7554 -7.7554 -7.1272 -7.1272 -7.1264 -7.1264 -6.8199 -6.8199 -6.8189 -6.8189 -2.5725 -2.5725 -2.5718 -2.5718 -1.0172 -1.0172 -1.0143 -1.0143 0.4998 0.4998 0.5051 0.5051 0.7877 0.7877 0.7934 0.7934 1.9496 1.9496 1.9604 1.9604 2.2171 2.2171 2.2327 2.2327 2.5055 2.5055 2.5191 2.5191 2.7991 2.7991 2.8101 2.8101 3.7107 3.7107 3.7291 3.7291 4.0569 4.0569 4.0792 4.0792 4.6447 4.6447 4.6636 4.6636 5.1897 5.1897 5.2055 5.2055 8.1580 8.1580 8.1635 8.1635 8.3952 8.3952 8.4039 8.4039 9.7564 9.7564 9.7611 9.7612 k = 0.2763 0.2763 0.4326 ( 7826 PWs) bands (ev): -8.6726 -8.6726 -8.6724 -8.6724 -7.7305 -7.7305 -7.7300 -7.7300 -7.1219 -7.1219 -7.1210 -7.1210 -6.7995 -6.7995 -6.7984 -6.7984 -2.6188 -2.6188 -2.6180 -2.6180 -0.9807 -0.9807 -0.9776 -0.9776 0.4690 0.4690 0.4748 0.4748 0.7708 0.7708 0.7772 0.7772 1.9510 1.9510 1.9630 1.9630 2.2187 2.2187 2.2357 2.2357 2.4983 2.4983 2.5119 2.5119 2.7907 2.7907 2.8014 2.8014 3.7197 3.7197 3.7392 3.7392 4.0745 4.0745 4.0991 4.0991 4.6397 4.6397 4.6602 4.6602 5.2078 5.2078 5.2241 5.2241 8.1468 8.1468 8.1523 8.1523 8.4201 8.4201 8.4299 8.4299 9.7311 9.7311 9.7366 9.7366 k = 0.2632 0.2632 0.4326 ( 7820 PWs) bands (ev): -8.7007 -8.7007 -8.7005 -8.7005 -7.7049 -7.7049 -7.7044 -7.7044 -7.1164 -7.1164 -7.1155 -7.1155 -6.7803 -6.7803 -6.7792 -6.7792 -2.6636 -2.6636 -2.6628 -2.6628 -0.9451 -0.9451 -0.9417 -0.9417 0.4381 0.4381 0.4445 0.4445 0.7548 0.7548 0.7620 0.7620 1.9490 1.9490 1.9623 1.9623 2.2181 2.2181 2.2364 2.2364 2.4933 2.4933 2.5064 2.5064 2.7883 2.7883 2.7983 2.7983 3.7264 3.7264 3.7468 3.7468 4.0905 4.0905 4.1173 4.1173 4.6358 4.6358 4.6579 4.6579 5.2236 5.2236 5.2404 5.2404 8.1279 8.1279 8.1334 8.1334 8.4529 8.4529 8.4636 8.4636 9.7076 9.7076 9.7137 9.7137 k = 0.2500 0.2500 0.4326 ( 7806 PWs) bands (ev): -8.7279 -8.7279 -8.7276 -8.7276 -7.6790 -7.6790 -7.6784 -7.6784 -7.1107 -7.1107 -7.1098 -7.1098 -6.7625 -6.7625 -6.7613 -6.7613 -2.7069 -2.7069 -2.7061 -2.7061 -0.9104 -0.9104 -0.9068 -0.9068 0.4072 0.4072 0.4141 0.4141 0.7402 0.7402 0.7481 0.7481 1.9426 1.9426 1.9571 1.9571 2.2159 2.2159 2.2350 2.2350 2.4905 2.4905 2.5029 2.5029 2.7921 2.7921 2.8013 2.8013 3.7301 3.7301 3.7512 3.7512 4.1057 4.1057 4.1342 4.1342 4.6328 4.6328 4.6565 4.6565 5.2370 5.2370 5.2542 5.2542 8.1021 8.1021 8.1072 8.1072 8.4931 8.4931 8.5043 8.5043 9.6875 9.6875 9.6941 9.6941 k = 0.2368 0.2368 0.4326 ( 7832 PWs) bands (ev): -8.7540 -8.7540 -8.7538 -8.7538 -7.6529 -7.6529 -7.6522 -7.6522 -7.1050 -7.1050 -7.1040 -7.1040 -6.7462 -6.7462 -6.7450 -6.7450 -2.7486 -2.7486 -2.7478 -2.7478 -0.8766 -0.8766 -0.8727 -0.8727 0.3763 0.3763 0.3836 0.3836 0.7272 0.7272 0.7359 0.7359 1.9310 1.9310 1.9466 1.9466 2.2126 2.2126 2.2324 2.2324 2.4904 2.4904 2.5019 2.5019 2.8019 2.8019 2.8100 2.8100 3.7305 3.7305 3.7518 3.7518 4.1203 4.1203 4.1502 4.1502 4.6307 4.6307 4.6558 4.6558 5.2480 5.2480 5.2655 5.2655 8.0701 8.0701 8.0749 8.0749 8.5398 8.5398 8.5512 8.5512 9.6719 9.6719 9.6791 9.6791 k = 0.2237 0.2237 0.4326 ( 7828 PWs) bands (ev): -8.7791 -8.7791 -8.7789 -8.7789 -7.6265 -7.6265 -7.6259 -7.6259 -7.0992 -7.0992 -7.0981 -7.0981 -6.7316 -6.7316 -6.7304 -6.7304 -2.7885 -2.7885 -2.7878 -2.7878 -0.8436 -0.8436 -0.8395 -0.8395 0.3456 0.3456 0.3533 0.3533 0.7161 0.7161 0.7255 0.7255 1.9137 1.9137 1.9302 1.9302 2.2090 2.2090 2.2290 2.2290 2.4931 2.4931 2.5037 2.5037 2.8170 2.8170 2.8239 2.8239 3.7274 3.7274 3.7485 3.7485 4.1350 4.1350 4.1658 4.1658 4.6293 4.6293 4.6557 4.6557 5.2566 5.2566 5.2744 5.2744 8.0331 8.0331 8.0375 8.0375 8.5918 8.5918 8.6034 8.6034 9.6616 9.6616 9.6693 9.6693 k = 0.2105 0.2105 0.4326 ( 7836 PWs) bands (ev): -8.8031 -8.8031 -8.8028 -8.8028 -7.6001 -7.6001 -7.5994 -7.5994 -7.0934 -7.0934 -7.0922 -7.0922 -6.7187 -6.7187 -6.7175 -6.7175 -2.8267 -2.8267 -2.8259 -2.8259 -0.8115 -0.8115 -0.8071 -0.8071 0.3152 0.3152 0.3231 0.3231 0.7071 0.7071 0.7172 0.7172 1.8906 1.8906 1.9077 1.9077 2.2055 2.2055 2.2256 2.2256 2.4991 2.4991 2.5089 2.5089 2.8360 2.8360 2.8418 2.8418 3.7209 3.7209 3.7417 3.7417 4.1500 4.1500 4.1814 4.1814 4.6282 4.6282 4.6559 4.6559 5.2629 5.2629 5.2810 5.2810 7.9923 7.9923 7.9962 7.9962 8.6483 8.6483 8.6600 8.6600 9.6569 9.6569 9.6649 9.6649 k = 0.1974 0.1974 0.4326 ( 7836 PWs) bands (ev): -8.8258 -8.8258 -8.8256 -8.8256 -7.5738 -7.5738 -7.5730 -7.5730 -7.0876 -7.0876 -7.0864 -7.0864 -6.7076 -6.7076 -6.7063 -6.7063 -2.8628 -2.8628 -2.8621 -2.8621 -0.7802 -0.7802 -0.7756 -0.7756 0.2851 0.2851 0.2933 0.2933 0.7004 0.7004 0.7111 0.7111 1.8622 1.8622 1.8796 1.8796 2.2024 2.2024 2.2225 2.2225 2.5083 2.5083 2.5174 2.5174 2.8578 2.8578 2.8625 2.8625 3.7114 3.7114 3.7317 3.7317 4.1652 4.1652 4.1969 4.1969 4.6272 4.6272 4.6561 4.6561 5.2670 5.2670 5.2852 5.2852 7.9486 7.9486 7.9522 7.9522 8.7085 8.7085 8.7202 8.7202 9.6576 9.6576 9.6661 9.6661 k = 0.1842 0.1842 0.4326 ( 7848 PWs) bands (ev): -8.8473 -8.8473 -8.8471 -8.8471 -7.5475 -7.5475 -7.5467 -7.5467 -7.0820 -7.0820 -7.0807 -7.0807 -6.6984 -6.6984 -6.6970 -6.6970 -2.8970 -2.8970 -2.8962 -2.8962 -0.7498 -0.7498 -0.7450 -0.7450 0.2555 0.2555 0.2639 0.2639 0.6962 0.6962 0.7073 0.7073 1.8291 1.8291 1.8466 1.8466 2.1999 2.1999 2.2200 2.2200 2.5208 2.5208 2.5293 2.5293 2.8808 2.8808 2.8849 2.8849 3.6997 3.6997 3.7194 3.7194 4.1805 4.1805 4.2125 4.2125 4.6261 4.6261 4.6561 4.6561 5.2691 5.2691 5.2874 5.2874 7.9031 7.9031 7.9065 7.9065 8.7715 8.7715 8.7833 8.7833 9.6636 9.6636 9.6725 9.6725 k = 0.1711 0.1711 0.4326 ( 7848 PWs) bands (ev): -8.8676 -8.8676 -8.8673 -8.8673 -7.5216 -7.5216 -7.5207 -7.5207 -7.0765 -7.0765 -7.0751 -7.0751 -6.6909 -6.6909 -6.6895 -6.6895 -2.9291 -2.9291 -2.9283 -2.9283 -0.7204 -0.7204 -0.7153 -0.7153 0.2266 0.2266 0.2350 0.2350 0.6943 0.6943 0.7060 0.7060 1.7923 1.7923 1.8097 1.8097 2.1979 2.1979 2.2179 2.2179 2.5362 2.5362 2.5443 2.5443 2.9037 2.9037 2.9076 2.9076 3.6867 3.6867 3.7057 3.7057 4.1957 4.1957 4.2280 4.2280 4.6247 4.6247 4.6558 4.6558 5.2692 5.2692 5.2876 5.2876 7.8569 7.8569 7.8601 7.8601 8.8366 8.8366 8.8484 8.8484 9.6745 9.6745 9.6837 9.6837 k = 0.1579 0.1579 0.4326 ( 7860 PWs) bands (ev): -8.8864 -8.8864 -8.8862 -8.8862 -7.4960 -7.4960 -7.4952 -7.4952 -7.0711 -7.0711 -7.0697 -7.0697 -6.6851 -6.6851 -6.6838 -6.6838 -2.9590 -2.9590 -2.9582 -2.9582 -0.6919 -0.6919 -0.6866 -0.6866 0.1985 0.1985 0.2069 0.2069 0.6950 0.6950 0.7070 0.7070 1.7527 1.7527 1.7698 1.7698 2.1964 2.1964 2.2163 2.2163 2.5544 2.5544 2.5621 2.5621 2.9254 2.9254 2.9294 2.9294 3.6732 3.6732 3.6917 3.6917 4.2104 4.2104 4.2431 4.2431 4.6230 4.6230 4.6551 4.6551 5.2676 5.2676 5.2860 5.2860 7.8108 7.8108 7.8140 7.8140 8.9030 8.9030 8.9148 8.9148 9.6896 9.6896 9.6991 9.6991 k = 0.1447 0.1447 0.4326 ( 7860 PWs) bands (ev): -8.9040 -8.9040 -8.9037 -8.9037 -7.4711 -7.4711 -7.4703 -7.4703 -7.0659 -7.0659 -7.0645 -7.0645 -6.6811 -6.6811 -6.6797 -6.6797 -2.9866 -2.9866 -2.9859 -2.9859 -0.6644 -0.6644 -0.6589 -0.6589 0.1714 0.1714 0.1797 0.1797 0.6981 0.6981 0.7104 0.7104 1.7112 1.7112 1.7278 1.7278 2.1954 2.1954 2.2152 2.2152 2.5749 2.5749 2.5823 2.5823 2.9447 2.9447 2.9490 2.9490 3.6604 3.6604 3.6783 3.6783 4.2244 4.2244 4.2576 4.2576 4.6210 4.6210 4.6541 4.6541 5.2646 5.2646 5.2830 5.2830 7.7657 7.7657 7.7689 7.7689 8.9698 8.9698 8.9817 8.9817 9.7083 9.7083 9.7181 9.7181 k = 0.1316 0.1316 0.4326 ( 7868 PWs) bands (ev): -8.9201 -8.9201 -8.9198 -8.9198 -7.4471 -7.4471 -7.4461 -7.4461 -7.0610 -7.0610 -7.0595 -7.0595 -6.6785 -6.6785 -6.6772 -6.6772 -3.0121 -3.0121 -3.0113 -3.0113 -0.6381 -0.6381 -0.6324 -0.6324 0.1453 0.1453 0.1535 0.1535 0.7035 0.7035 0.7161 0.7161 1.6686 1.6686 1.6847 1.6847 2.1947 2.1947 2.2145 2.2145 2.5975 2.5975 2.6046 2.6046 2.9606 2.9606 2.9652 2.9652 3.6492 3.6492 3.6663 3.6663 4.2374 4.2374 4.2711 4.2711 4.6186 4.6186 4.6528 4.6528 5.2604 5.2604 5.2787 5.2787 7.7223 7.7223 7.7256 7.7256 9.0363 9.0363 9.0482 9.0482 9.7299 9.7299 9.7399 9.7399 k = 0.1184 0.1184 0.4326 ( 7860 PWs) bands (ev): -8.9347 -8.9347 -8.9345 -8.9345 -7.4240 -7.4240 -7.4231 -7.4231 -7.0564 -7.0564 -7.0549 -7.0549 -6.6774 -6.6774 -6.6761 -6.6761 -3.0351 -3.0351 -3.0344 -3.0344 -0.6132 -0.6132 -0.6073 -0.6073 0.1206 0.1206 0.1285 0.1285 0.7111 0.7111 0.7238 0.7238 1.6258 1.6258 1.6413 1.6413 2.1944 2.1944 2.2141 2.2141 2.6218 2.6218 2.6286 2.6286 2.9723 2.9723 2.9772 2.9772 3.6402 3.6402 3.6566 3.6566 4.2492 4.2492 4.2834 4.2834 4.6161 4.6161 4.6512 4.6512 5.2553 5.2553 5.2734 5.2734 7.6813 7.6813 7.6847 7.6847 9.1015 9.1015 9.1136 9.1136 9.7537 9.7537 9.7640 9.7640 k = 0.1053 0.1053 0.4326 ( 7854 PWs) bands (ev): -8.9479 -8.9479 -8.9477 -8.9477 -7.4023 -7.4023 -7.4013 -7.4013 -7.0521 -7.0521 -7.0505 -7.0505 -6.6775 -6.6775 -6.6761 -6.6761 -3.0559 -3.0559 -3.0552 -3.0552 -0.5897 -0.5897 -0.5837 -0.5837 0.0974 0.0974 0.1051 0.1051 0.7206 0.7206 0.7334 0.7334 1.5836 1.5836 1.5983 1.5983 2.1943 2.1943 2.2141 2.2141 2.6474 2.6474 2.6540 2.6540 2.9792 2.9792 2.9841 2.9841 3.6340 3.6340 3.6495 3.6495 4.2595 4.2595 4.2944 4.2944 4.6136 4.6136 4.6495 4.6495 5.2496 5.2496 5.2675 5.2675 7.6432 7.6432 7.6467 7.6467 9.1645 9.1645 9.1768 9.1768 9.7788 9.7788 9.7893 9.7893 k = 0.0921 0.0921 0.4326 ( 7862 PWs) bands (ev): -8.9596 -8.9596 -8.9594 -8.9594 -7.3822 -7.3822 -7.3812 -7.3812 -7.0482 -7.0482 -7.0465 -7.0465 -6.6785 -6.6785 -6.6772 -6.6772 -3.0742 -3.0742 -3.0735 -3.0735 -0.5679 -0.5679 -0.5618 -0.5618 0.0759 0.0759 0.0832 0.0832 0.7317 0.7317 0.7445 0.7445 1.5428 1.5428 1.5565 1.5565 2.1944 2.1944 2.2142 2.2142 2.6741 2.6741 2.6805 2.6805 2.9808 2.9808 2.9856 2.9856 3.6307 3.6307 3.6452 3.6452 4.2683 4.2683 4.3038 4.3038 4.6111 4.6111 4.6478 4.6478 5.2437 5.2437 5.2614 5.2614 7.6086 7.6086 7.6122 7.6122 9.2244 9.2244 9.2369 9.2369 9.8044 9.8044 9.8151 9.8151 k = 0.0789 0.0789 0.4326 ( 7862 PWs) bands (ev): -8.9698 -8.9698 -8.9695 -8.9695 -7.3639 -7.3639 -7.3629 -7.3629 -7.0446 -7.0446 -7.0430 -7.0430 -6.6802 -6.6802 -6.6789 -6.6789 -3.0901 -3.0901 -3.0895 -3.0895 -0.5481 -0.5481 -0.5419 -0.5419 0.0563 0.0563 0.0633 0.0633 0.7439 0.7439 0.7566 0.7566 1.5043 1.5043 1.5169 1.5169 2.1947 2.1947 2.2145 2.2145 2.7017 2.7017 2.7078 2.7078 2.9772 2.9772 2.9817 2.9817 3.6300 3.6300 3.6435 3.6435 4.2755 4.2755 4.3117 4.3117 4.6089 4.6089 4.6463 4.6463 5.2377 5.2377 5.2552 5.2552 7.5778 7.5778 7.5816 7.5816 9.2799 9.2799 9.2927 9.2927 9.8295 9.8295 9.8404 9.8404 k = 0.0658 0.0658 0.4326 ( 7852 PWs) bands (ev): -8.9784 -8.9784 -8.9782 -8.9782 -7.3477 -7.3477 -7.3467 -7.3467 -7.0415 -7.0415 -7.0399 -7.0399 -6.6823 -6.6823 -6.6811 -6.6811 -3.1036 -3.1036 -3.1030 -3.1030 -0.5305 -0.5305 -0.5242 -0.5242 0.0391 0.0391 0.0457 0.0457 0.7566 0.7566 0.7692 0.7692 1.4690 1.4690 1.4804 1.4804 2.1951 2.1951 2.2149 2.2149 2.7297 2.7297 2.7357 2.7357 2.9687 2.9687 2.9728 2.9728 3.6316 3.6316 3.6438 3.6438 4.2812 4.2812 4.3179 4.3179 4.6071 4.6071 4.6450 4.6450 5.2321 5.2321 5.2493 5.2493 7.5512 7.5512 7.5551 7.5551 9.3299 9.3299 9.3431 9.3431 9.8532 9.8532 9.8642 9.8642 k = 0.0526 0.0526 0.4326 ( 7846 PWs) bands (ev): -8.9855 -8.9855 -8.9853 -8.9853 -7.3340 -7.3340 -7.3330 -7.3330 -7.0388 -7.0388 -7.0373 -7.0373 -6.6846 -6.6846 -6.6834 -6.6834 -3.1147 -3.1147 -3.1141 -3.1141 -0.5154 -0.5154 -0.5091 -0.5091 0.0244 0.0244 0.0305 0.0305 0.7690 0.7690 0.7814 0.7814 1.4380 1.4380 1.4479 1.4479 2.1955 2.1955 2.2153 2.2153 2.7579 2.7579 2.7639 2.7639 2.9557 2.9557 2.9593 2.9593 3.6344 3.6344 3.6456 3.6456 4.2856 4.2856 4.3227 4.3227 4.6056 4.6056 4.6439 4.6439 5.2270 5.2270 5.2440 5.2440 7.5291 7.5291 7.5331 7.5331 9.3732 9.3732 9.3868 9.3868 9.8745 9.8745 9.8857 9.8857 k = 0.0395 0.0395 0.4326 ( 7834 PWs) bands (ev): -8.9910 -8.9910 -8.9908 -8.9908 -7.3230 -7.3230 -7.3220 -7.3220 -7.0367 -7.0367 -7.0352 -7.0352 -6.6867 -6.6867 -6.6855 -6.6855 -3.1233 -3.1233 -3.1227 -3.1227 -0.5032 -0.5032 -0.4969 -0.4969 0.0125 0.0125 0.0182 0.0182 0.7803 0.7803 0.7923 0.7923 1.4125 1.4125 1.4207 1.4207 2.1958 2.1958 2.2157 2.2157 2.7861 2.7861 2.7920 2.7920 2.9390 2.9390 2.9421 2.9421 3.6378 3.6378 3.6479 3.6479 4.2887 4.2887 4.3262 4.3262 4.6045 4.6045 4.6431 4.6431 5.2228 5.2228 5.2396 5.2396 7.5117 7.5117 7.5158 7.5158 9.4086 9.4086 9.4226 9.4226 9.8923 9.8923 9.9037 9.9037 k = 0.0263 0.0263 0.4326 ( 7842 PWs) bands (ev): -8.9950 -8.9950 -8.9947 -8.9947 -7.3150 -7.3150 -7.3140 -7.3140 -7.0352 -7.0352 -7.0336 -7.0336 -6.6884 -6.6884 -6.6873 -6.6873 -3.1295 -3.1295 -3.1289 -3.1289 -0.4942 -0.4942 -0.4879 -0.4879 0.0038 0.0038 0.0091 0.0091 0.7894 0.7894 0.8010 0.8010 1.3934 1.3934 1.3998 1.3998 2.1961 2.1961 2.2160 2.2160 2.8135 2.8135 2.8197 2.8197 2.9193 2.9193 2.9218 2.9218 3.6409 3.6409 3.6501 3.6501 4.2908 4.2908 4.3285 4.3285 4.6038 4.6038 4.6425 4.6425 5.2197 5.2197 5.2363 5.2363 7.4991 7.4991 7.5033 7.5033 9.4349 9.4349 9.4492 9.4492 9.9059 9.9059 9.9173 9.9173 k = 0.0132 0.0132 0.4326 ( 7836 PWs) bands (ev): -8.9973 -8.9973 -8.9971 -8.9971 -7.3101 -7.3101 -7.3091 -7.3091 -7.0342 -7.0342 -7.0327 -7.0327 -6.6895 -6.6895 -6.6884 -6.6884 -3.1332 -3.1332 -3.1326 -3.1326 -0.4887 -0.4887 -0.4823 -0.4823 -0.0015 -0.0015 0.0036 0.0036 0.7953 0.7953 0.8067 0.8067 1.3817 1.3817 1.3866 1.3866 2.1963 2.1963 2.2163 2.2163 2.8392 2.8392 2.8467 2.8467 2.8980 2.8980 2.8993 2.8993 3.6430 3.6430 3.6517 3.6517 4.2919 4.2919 4.3298 4.3298 4.6034 4.6034 4.6422 4.6422 5.2177 5.2177 5.2342 5.2342 7.4915 7.4915 7.4957 7.4957 9.4512 9.4512 9.4656 9.4656 9.9144 9.9144 9.9259 9.9259 k = 0.0000 0.0000 0.4326 ( 7844 PWs) bands (ev): -8.9981 -8.9981 -8.9979 -8.9979 -7.3084 -7.3084 -7.3074 -7.3074 -7.0339 -7.0339 -7.0324 -7.0324 -6.6899 -6.6899 -6.6888 -6.6888 -3.1344 -3.1344 -3.1338 -3.1338 -0.4869 -0.4869 -0.4805 -0.4805 -0.0033 -0.0033 0.0017 0.0017 0.7974 0.7974 0.8087 0.8087 1.3778 1.3778 1.3819 1.3819 2.1964 2.1964 2.2163 2.2163 2.8550 2.8550 2.8678 2.8678 2.8792 2.8792 2.8841 2.8841 3.6437 3.6437 3.6523 3.6523 4.2923 4.2923 4.3302 4.3302 4.6033 4.6033 4.6421 4.6421 5.2171 5.2171 5.2335 5.2335 7.4890 7.4890 7.4932 7.4932 9.4566 9.4566 9.4712 9.4712 9.9173 9.9173 9.9288 9.9288 k = 0.0000 0.5000-0.0000 ( 7816 PWs) bands (ev): -8.8280 -8.8280 -8.8280 -8.8280 -7.5960 -7.5960 -7.5955 -7.5955 -6.9375 -6.9375 -6.9358 -6.9358 -6.8046 -6.8046 -6.8024 -6.8024 -2.8858 -2.8858 -2.8851 -2.8851 -1.0444 -1.0444 -1.0431 -1.0431 0.1304 0.1304 0.1432 0.1432 0.6992 0.6992 0.7149 0.7149 1.7355 1.7355 1.7541 1.7541 2.2108 2.2108 2.2194 2.2194 2.4870 2.4870 2.4926 2.4926 3.6026 3.6026 3.6048 3.6048 3.9791 3.9791 3.9960 3.9960 4.5621 4.5621 4.5653 4.5653 4.8879 4.8879 4.8894 4.8894 5.1790 5.1790 5.1814 5.1814 8.0319 8.0319 8.0374 8.0374 8.4184 8.4184 8.4237 8.4237 9.7282 9.7282 9.7400 9.7400 k = 0.0000 0.5000 0.0180 ( 7812 PWs) bands (ev): -8.8274 -8.8274 -8.8274 -8.8274 -7.5973 -7.5973 -7.5968 -7.5968 -6.9378 -6.9378 -6.9361 -6.9361 -6.8038 -6.8038 -6.8016 -6.8016 -2.8855 -2.8855 -2.8849 -2.8849 -1.0429 -1.0429 -1.0416 -1.0416 0.1298 0.1298 0.1426 0.1426 0.6997 0.6997 0.7154 0.7154 1.7366 1.7366 1.7552 1.7552 2.2105 2.2105 2.2191 2.2191 2.4879 2.4879 2.4936 2.4936 3.5988 3.5988 3.6013 3.6013 3.9782 3.9782 3.9953 3.9953 4.5610 4.5610 4.5644 4.5644 4.8875 4.8875 4.8891 4.8891 5.1760 5.1760 5.1783 5.1783 8.0342 8.0342 8.0397 8.0397 8.4203 8.4203 8.4257 8.4257 9.7256 9.7256 9.7372 9.7372 k = 0.0000 0.5000 0.0360 ( 7830 PWs) bands (ev): -8.8257 -8.8257 -8.8257 -8.8257 -7.6013 -7.6013 -7.6008 -7.6008 -6.9388 -6.9388 -6.9371 -6.9371 -6.8015 -6.8015 -6.7993 -6.7993 -2.8847 -2.8847 -2.8840 -2.8840 -1.0384 -1.0384 -1.0371 -1.0371 0.1281 0.1281 0.1408 0.1408 0.7011 0.7011 0.7168 0.7168 1.7399 1.7399 1.7586 1.7586 2.2095 2.2095 2.2183 2.2183 2.4906 2.4906 2.4965 2.4965 3.5876 3.5876 3.5906 3.5906 3.9759 3.9759 3.9932 3.9932 4.5578 4.5578 4.5618 4.5618 4.8865 4.8865 4.8885 4.8885 5.1670 5.1670 5.1693 5.1693 8.0407 8.0407 8.0464 8.0464 8.4259 8.4259 8.4314 8.4314 9.7184 9.7184 9.7296 9.7296 k = 0.0000 0.5000 0.0541 ( 7838 PWs) bands (ev): -8.8229 -8.8229 -8.8229 -8.8229 -7.6079 -7.6079 -7.6074 -7.6074 -6.9402 -6.9402 -6.9385 -6.9385 -6.7979 -6.7979 -6.7957 -6.7957 -2.8833 -2.8833 -2.8826 -2.8826 -1.0310 -1.0310 -1.0297 -1.0297 0.1253 0.1253 0.1381 0.1381 0.7034 0.7034 0.7192 0.7192 1.7455 1.7455 1.7642 1.7642 2.2080 2.2080 2.2168 2.2168 2.4949 2.4949 2.5013 2.5013 3.5694 3.5694 3.5732 3.5732 3.9721 3.9721 3.9899 3.9899 4.5523 4.5523 4.5570 4.5570 4.8848 4.8848 4.8873 4.8873 5.1524 5.1524 5.1548 5.1548 8.0515 8.0515 8.0572 8.0572 8.4353 8.4353 8.4410 8.4410 9.7078 9.7078 9.7187 9.7187 k = 0.0000 0.5000 0.0721 ( 7826 PWs) bands (ev): -8.8190 -8.8190 -8.8190 -8.8190 -7.6169 -7.6169 -7.6164 -7.6164 -6.9417 -6.9417 -6.9400 -6.9400 -6.7934 -6.7934 -6.7912 -6.7912 -2.8814 -2.8814 -2.8807 -2.8807 -1.0209 -1.0209 -1.0195 -1.0195 0.1216 0.1216 0.1344 0.1344 0.7065 0.7065 0.7223 0.7223 1.7532 1.7532 1.7720 1.7720 2.2059 2.2059 2.2149 2.2149 2.5007 2.5007 2.5075 2.5075 3.5448 3.5448 3.5494 3.5494 3.9670 3.9670 3.9855 3.9855 4.5440 4.5440 4.5496 4.5496 4.8824 4.8824 4.8855 4.8855 5.1331 5.1331 5.1355 5.1355 8.0659 8.0659 8.0719 8.0719 8.4483 8.4483 8.4542 8.4542 9.6951 9.6951 9.7056 9.7056 k = 0.0000 0.5000 0.0901 ( 7840 PWs) bands (ev): -8.8141 -8.8141 -8.8140 -8.8140 -7.6283 -7.6283 -7.6279 -7.6279 -6.9430 -6.9430 -6.9413 -6.9413 -6.7884 -6.7884 -6.7862 -6.7862 -2.8789 -2.8789 -2.8781 -2.8781 -1.0084 -1.0084 -1.0068 -1.0068 0.1175 0.1175 0.1303 0.1303 0.7102 0.7102 0.7260 0.7260 1.7630 1.7630 1.7819 1.7819 2.2034 2.2034 2.2125 2.2125 2.5075 2.5075 2.5150 2.5150 3.5145 3.5145 3.5200 3.5200 3.9611 3.9611 3.9801 3.9801 4.5327 4.5327 4.5390 4.5390 4.8794 4.8794 4.8832 4.8832 5.1098 5.1098 5.1124 5.1124 8.0837 8.0837 8.0899 8.0899 8.4648 8.4648 8.4711 8.4711 9.6812 9.6812 9.6916 9.6916 k = 0.0000 0.5000 0.1081 ( 7836 PWs) bands (ev): -8.8081 -8.8081 -8.8080 -8.8080 -7.6419 -7.6419 -7.6415 -7.6415 -6.9439 -6.9439 -6.9421 -6.9421 -6.7832 -6.7832 -6.7810 -6.7810 -2.8759 -2.8759 -2.8751 -2.8751 -0.9937 -0.9937 -0.9920 -0.9920 0.1131 0.1131 0.1259 0.1259 0.7143 0.7143 0.7302 0.7302 1.7749 1.7749 1.7940 1.7940 2.2005 2.2005 2.2097 2.2097 2.5151 2.5151 2.5231 2.5231 3.4793 3.4793 3.4858 3.4858 3.9544 3.9544 3.9740 3.9740 4.5176 4.5176 4.5248 4.5248 4.8756 4.8756 4.8802 4.8802 5.0837 5.0837 5.0866 5.0866 8.1041 8.1041 8.1106 8.1106 8.4845 8.4845 8.4912 8.4912 9.6670 9.6670 9.6772 9.6772 k = 0.0000 0.5000 0.1262 ( 7848 PWs) bands (ev): -8.8011 -8.8011 -8.8010 -8.8010 -7.6575 -7.6575 -7.6571 -7.6571 -6.9440 -6.9440 -6.9422 -6.9422 -6.7782 -6.7782 -6.7759 -6.7759 -2.8724 -2.8724 -2.8715 -2.8715 -0.9771 -0.9771 -0.9753 -0.9753 0.1089 0.1089 0.1217 0.1217 0.7186 0.7186 0.7345 0.7345 1.7888 1.7888 1.8080 1.8080 2.1973 2.1973 2.2067 2.2067 2.5230 2.5230 2.5316 2.5316 3.4402 3.4402 3.4476 3.4476 3.9472 3.9472 3.9673 3.9673 4.4984 4.4984 4.5063 4.5063 4.8712 4.8712 4.8766 4.8766 5.0561 5.0561 5.0595 5.0595 8.1267 8.1267 8.1335 8.1335 8.5072 8.5072 8.5143 8.5143 9.6530 9.6530 9.6631 9.6631 k = 0.0000 0.5000 0.1442 ( 7840 PWs) bands (ev): -8.7932 -8.7932 -8.7931 -8.7931 -7.6748 -7.6748 -7.6744 -7.6744 -6.9433 -6.9433 -6.9414 -6.9414 -6.7736 -6.7736 -6.7713 -6.7713 -2.8683 -2.8683 -2.8674 -2.8674 -0.9591 -0.9591 -0.9572 -0.9572 0.1054 0.1054 0.1181 0.1181 0.7229 0.7229 0.7386 0.7386 1.8046 1.8046 1.8240 1.8240 2.1940 2.1940 2.2035 2.2035 2.5308 2.5308 2.5399 2.5399 3.3983 3.3983 3.4066 3.4066 3.9397 3.9397 3.9602 3.9602 4.4747 4.4747 4.4832 4.4832 4.8661 4.8661 4.8725 4.8725 5.0280 5.0280 5.0322 5.0322 8.1510 8.1510 8.1581 8.1581 8.5323 8.5323 8.5400 8.5400 9.6400 9.6400 9.6501 9.6501 k = 0.0000 0.5000 0.1622 ( 7844 PWs) bands (ev): -8.7845 -8.7845 -8.7844 -8.7844 -7.6936 -7.6936 -7.6932 -7.6932 -6.9416 -6.9416 -6.9398 -6.9398 -6.7696 -6.7696 -6.7674 -6.7674 -2.8638 -2.8638 -2.8628 -2.8628 -0.9402 -0.9402 -0.9382 -0.9382 0.1031 0.1031 0.1157 0.1157 0.7267 0.7267 0.7423 0.7423 1.8220 1.8220 1.8416 1.8416 2.1908 2.1908 2.2004 2.2004 2.5379 2.5379 2.5474 2.5474 3.3545 3.3545 3.3637 3.3637 3.9320 3.9320 3.9528 3.9528 4.4463 4.4463 4.4554 4.4554 4.8605 4.8605 4.8677 4.8677 5.0008 5.0008 5.0058 5.0058 8.1762 8.1762 8.1836 8.1836 8.5593 8.5593 8.5677 8.5677 9.6284 9.6284 9.6386 9.6386 k = 0.0000 0.5000 0.1802 ( 7840 PWs) bands (ev): -8.7750 -8.7750 -8.7749 -8.7749 -7.7136 -7.7136 -7.7133 -7.7133 -6.9389 -6.9389 -6.9371 -6.9371 -6.7665 -6.7665 -6.7642 -6.7642 -2.8589 -2.8589 -2.8579 -2.8579 -0.9207 -0.9207 -0.9187 -0.9187 0.1025 0.1025 0.1150 0.1150 0.7297 0.7297 0.7452 0.7452 1.8409 1.8409 1.8607 1.8607 2.1878 2.1878 2.1975 2.1975 2.5439 2.5439 2.5538 2.5538 3.3098 3.3098 3.3199 3.3199 3.9244 3.9244 3.9453 3.9453 4.4133 4.4133 4.4230 4.4230 4.8542 4.8542 4.8623 4.8623 4.9752 4.9752 4.9811 4.9811 8.2022 8.2022 8.2098 8.2098 8.5875 8.5875 8.5966 8.5966 9.6192 9.6192 9.6294 9.6294 k = 0.0000 0.5000 0.1983 ( 7848 PWs) bands (ev): -8.7648 -8.7648 -8.7648 -8.7648 -7.7345 -7.7345 -7.7342 -7.7342 -6.9352 -6.9352 -6.9334 -6.9334 -6.7643 -6.7643 -6.7620 -6.7620 -2.8535 -2.8535 -2.8525 -2.8525 -0.9013 -0.9013 -0.8992 -0.8992 0.1041 0.1041 0.1164 0.1164 0.7315 0.7315 0.7467 0.7467 1.8609 1.8609 1.8810 1.8810 2.1855 2.1855 2.1952 2.1952 2.5484 2.5484 2.5586 2.5586 3.2649 3.2649 3.2759 3.2759 3.9169 3.9169 3.9378 3.9378 4.3764 4.3764 4.3866 4.3866 4.8476 4.8476 4.8564 4.8564 4.9518 4.9518 4.9586 4.9586 8.2283 8.2283 8.2363 8.2363 8.6161 8.6161 8.6259 8.6259 9.6129 9.6129 9.6233 9.6233 k = 0.0000 0.5000 0.2163 ( 7862 PWs) bands (ev): -8.7542 -8.7542 -8.7541 -8.7541 -7.7560 -7.7560 -7.7557 -7.7557 -6.9306 -6.9306 -6.9287 -6.9287 -6.7632 -6.7632 -6.7609 -6.7609 -2.8479 -2.8479 -2.8469 -2.8469 -0.8824 -0.8824 -0.8803 -0.8803 0.1083 0.1083 0.1205 0.1205 0.7317 0.7317 0.7467 0.7467 1.8815 1.8815 1.9019 1.9019 2.1842 2.1842 2.1938 2.1938 2.5514 2.5514 2.5617 2.5617 3.2207 3.2207 3.2323 3.2323 3.9098 3.9098 3.9305 3.9305 4.3364 4.3364 4.3470 4.3470 4.8406 4.8406 4.8501 4.8501 4.9310 4.9310 4.9384 4.9384 8.2545 8.2545 8.2626 8.2626 8.6442 8.6442 8.6546 8.6546 9.6105 9.6105 9.6210 9.6210 k = 0.0000 0.5000 0.2343 ( 7856 PWs) bands (ev): -8.7432 -8.7432 -8.7431 -8.7431 -7.7777 -7.7777 -7.7774 -7.7774 -6.9250 -6.9250 -6.9231 -6.9231 -6.7631 -6.7631 -6.7608 -6.7608 -2.8421 -2.8421 -2.8411 -2.8411 -0.8645 -0.8645 -0.8624 -0.8624 0.1157 0.1157 0.1276 0.1276 0.7300 0.7300 0.7446 0.7446 1.9023 1.9023 1.9227 1.9227 2.1845 2.1845 2.1937 2.1937 2.5528 2.5528 2.5630 2.5630 3.1773 3.1773 3.1896 3.1896 3.9031 3.9031 3.9233 3.9233 4.2945 4.2945 4.3053 4.3053 4.8334 4.8334 4.8435 4.8435 4.9128 4.9128 4.9206 4.9206 8.2803 8.2803 8.2885 8.2885 8.6707 8.6707 8.6818 8.6818 9.6127 9.6127 9.6232 9.6232 k = 0.0000 0.5000 0.2523 ( 7864 PWs) bands (ev): -8.7319 -8.7319 -8.7318 -8.7318 -7.7994 -7.7994 -7.7991 -7.7991 -6.9185 -6.9185 -6.9166 -6.9166 -6.7642 -6.7642 -6.7619 -6.7619 -2.8362 -2.8362 -2.8353 -2.8353 -0.8479 -0.8479 -0.8459 -0.8459 0.1264 0.1264 0.1380 0.1380 0.7260 0.7260 0.7401 0.7401 1.9224 1.9224 1.9425 1.9425 2.1871 2.1871 2.1955 2.1955 2.5529 2.5529 2.5628 2.5628 3.1351 3.1351 3.1477 3.1477 3.8969 3.8969 3.9165 3.9165 4.2520 4.2520 4.2628 4.2628 4.8263 4.8263 4.8366 4.8366 4.8969 4.8969 4.9050 4.9050 8.3055 8.3055 8.3139 8.3139 8.6949 8.6949 8.7064 8.7064 9.6201 9.6201 9.6307 9.6307 k = 0.0000 0.5000 0.2703 ( 7862 PWs) bands (ev): -8.7206 -8.7206 -8.7205 -8.7205 -7.8206 -7.8206 -7.8203 -7.8203 -6.9113 -6.9113 -6.9093 -6.9093 -6.7664 -6.7664 -6.7641 -6.7641 -2.8303 -2.8303 -2.8294 -2.8294 -0.8331 -0.8331 -0.8311 -0.8311 0.1406 0.1406 0.1520 0.1520 0.7193 0.7193 0.7330 0.7330 1.9409 1.9409 1.9603 1.9603 2.1925 2.1925 2.1998 2.1998 2.5526 2.5526 2.5617 2.5617 3.0939 3.0939 3.1066 3.1066 3.8915 3.8915 3.9101 3.9101 4.2103 4.2103 4.2208 4.2208 4.8193 4.8193 4.8296 4.8296 4.8834 4.8834 4.8913 4.8913 8.3300 8.3300 8.3383 8.3383 8.7159 8.7159 8.7277 8.7277 9.6332 9.6332 9.6437 9.6437 k = 0.0000 0.5000 0.2884 ( 7854 PWs) bands (ev): -8.7095 -8.7095 -8.7094 -8.7094 -7.8410 -7.8410 -7.8407 -7.8407 -6.9034 -6.9034 -6.9014 -6.9014 -6.7696 -6.7696 -6.7673 -6.7673 -2.8246 -2.8246 -2.8237 -2.8237 -0.8201 -0.8201 -0.8182 -0.8182 0.1582 0.1582 0.1692 0.1692 0.7099 0.7099 0.7231 0.7231 1.9570 1.9570 1.9753 1.9753 2.2011 2.2011 2.2069 2.2069 2.5526 2.5526 2.5609 2.5609 3.0533 3.0533 3.0657 3.0657 3.8868 3.8868 3.9041 3.9041 4.1704 4.1704 4.1806 4.1806 4.8127 4.8127 4.8227 4.8227 4.8717 4.8717 4.8794 4.8794 8.3535 8.3535 8.3617 8.3617 8.7333 8.7333 8.7451 8.7451 9.6523 9.6523 9.6625 9.6625 k = 0.0000 0.5000 0.3064 ( 7866 PWs) bands (ev): -8.6987 -8.6987 -8.6987 -8.6987 -7.8602 -7.8602 -7.8599 -7.8599 -6.8949 -6.8949 -6.8929 -6.8929 -6.7739 -6.7739 -6.7716 -6.7716 -2.8191 -2.8191 -2.8184 -2.8184 -0.8091 -0.8091 -0.8074 -0.8074 0.1790 0.1790 0.1896 0.1896 0.6978 0.6978 0.7103 0.7103 1.9702 1.9702 1.9866 1.9866 2.2125 2.2125 2.2170 2.2170 2.5544 2.5544 2.5617 2.5617 3.0128 3.0128 3.0248 3.0248 3.8830 3.8830 3.8987 3.8987 4.1337 4.1337 4.1432 4.1432 4.8065 4.8065 4.8159 4.8159 4.8619 4.8619 4.8690 4.8690 8.3758 8.3758 8.3837 8.3837 8.7469 8.7469 8.7584 8.7584 9.6772 9.6772 9.6869 9.6869 k = 0.0000 0.5000 0.3244 ( 7868 PWs) bands (ev): -8.6886 -8.6886 -8.6886 -8.6886 -7.8778 -7.8778 -7.8776 -7.8776 -6.8859 -6.8859 -6.8839 -6.8839 -6.7792 -6.7792 -6.7769 -6.7769 -2.8141 -2.8141 -2.8134 -2.8134 -0.8000 -0.8000 -0.7985 -0.7985 0.2024 0.2024 0.2125 0.2125 0.6831 0.6831 0.6949 0.6949 1.9802 1.9802 1.9945 1.9945 2.2254 2.2254 2.2294 2.2294 2.5593 2.5593 2.5656 2.5656 2.9721 2.9721 2.9832 2.9832 3.8800 3.8800 3.8939 3.8939 4.1009 4.1009 4.1095 4.1095 4.8009 4.8009 4.8096 4.8096 4.8537 4.8537 4.8601 4.8601 8.3966 8.3966 8.4040 8.4040 8.7567 8.7567 8.7676 8.7676 9.7071 9.7071 9.7161 9.7161 k = 0.0000 0.5000 0.3424 ( 7864 PWs) bands (ev): -8.6795 -8.6795 -8.6794 -8.6794 -7.8936 -7.8936 -7.8934 -7.8934 -6.8766 -6.8766 -6.8745 -6.8745 -6.7853 -6.7853 -6.7831 -6.7831 -2.8095 -2.8095 -2.8089 -2.8089 -0.7928 -0.7928 -0.7915 -0.7915 0.2275 0.2275 0.2369 0.2369 0.6664 0.6664 0.6773 0.6773 1.9873 1.9873 1.9992 1.9992 2.2385 2.2385 2.2429 2.2429 2.5688 2.5688 2.5744 2.5744 2.9309 2.9309 2.9409 2.9409 3.8778 3.8778 3.8897 3.8897 4.0726 4.0726 4.0802 4.0802 4.7961 4.7961 4.8038 4.8038 4.8469 4.8469 4.8524 4.8524 8.4155 8.4155 8.4222 8.4222 8.7634 8.7634 8.7732 8.7732 9.7409 9.7409 9.7490 9.7490 k = 0.0000 0.5000 0.3605 ( 7868 PWs) bands (ev): -8.6715 -8.6715 -8.6715 -8.6715 -7.9071 -7.9071 -7.9069 -7.9069 -6.8670 -6.8670 -6.8649 -6.8649 -6.7923 -6.7923 -6.7900 -6.7900 -2.8056 -2.8056 -2.8051 -2.8051 -0.7872 -0.7872 -0.7862 -0.7862 0.2532 0.2532 0.2618 0.2618 0.6485 0.6485 0.6582 0.6582 1.9921 1.9921 2.0017 2.0017 2.2505 2.2505 2.2554 2.2554 2.5842 2.5842 2.5890 2.5890 2.8891 2.8891 2.8978 2.8978 3.8764 3.8764 3.8861 3.8861 4.0494 4.0494 4.0557 4.0557 4.7922 4.7922 4.7986 4.7986 4.8416 4.8416 4.8461 4.8461 8.4321 8.4321 8.4379 8.4379 8.7675 8.7675 8.7759 8.7759 9.7766 9.7766 9.7836 9.7836 k = 0.0000 0.5000 0.3785 ( 7858 PWs) bands (ev): -8.6650 -8.6650 -8.6649 -8.6649 -7.9179 -7.9179 -7.9178 -7.9178 -6.8573 -6.8573 -6.8552 -6.8552 -6.7999 -6.7999 -6.7977 -6.7977 -2.8025 -2.8025 -2.8021 -2.8021 -0.7831 -0.7831 -0.7823 -0.7823 0.2779 0.2779 0.2851 0.2851 0.6310 0.6310 0.6391 0.6391 1.9954 1.9954 2.0025 2.0025 2.2606 2.2606 2.2654 2.2654 2.6057 2.6057 2.6098 2.6098 2.8472 2.8472 2.8544 2.8544 3.8758 3.8758 3.8831 3.8831 4.0314 4.0314 4.0363 4.0363 4.7892 4.7892 4.7942 4.7942 4.8376 4.8376 4.8410 4.8410 8.4459 8.4459 8.4506 8.4506 8.7698 8.7698 8.7765 8.7765 9.8115 9.8115 9.8173 9.8173 k = 0.0000 0.5000 0.3965 ( 7862 PWs) bands (ev): -8.6601 -8.6601 -8.6601 -8.6601 -7.9259 -7.9259 -7.9259 -7.9259 -6.8477 -6.8477 -6.8457 -6.8457 -6.8079 -6.8079 -6.8058 -6.8058 -2.8001 -2.8001 -2.7999 -2.7999 -0.7803 -0.7803 -0.7798 -0.7798 0.2992 0.2992 0.3047 0.3047 0.6158 0.6158 0.6219 0.6219 1.9976 1.9976 2.0023 2.0023 2.2683 2.2683 2.2720 2.2720 2.6327 2.6327 2.6359 2.6359 2.8064 2.8064 2.8119 2.8119 3.8758 3.8758 3.8806 3.8806 4.0188 4.0188 4.0222 4.0222 4.7873 4.7873 4.7907 4.7907 4.8349 4.8349 4.8372 4.8372 8.4566 8.4566 8.4599 8.4599 8.7711 8.7711 8.7758 8.7758 9.8416 9.8416 9.8460 9.8460 k = 0.0000 0.5000 0.4145 ( 7864 PWs) bands (ev): -8.6571 -8.6571 -8.6571 -8.6571 -7.9308 -7.9308 -7.9308 -7.9308 -6.8387 -6.8387 -6.8369 -6.8369 -6.8158 -6.8158 -6.8140 -6.8140 -2.7987 -2.7987 -2.7986 -2.7986 -0.7786 -0.7786 -0.7784 -0.7784 0.3146 0.3146 0.3176 0.3176 0.6057 0.6057 0.6091 0.6091 1.9992 1.9992 2.0015 2.0015 2.2733 2.2733 2.2753 2.2753 2.6616 2.6616 2.6639 2.6639 2.7701 2.7701 2.7736 2.7736 3.8763 3.8763 3.8787 3.8787 4.0116 4.0116 4.0133 4.0133 4.7865 4.7865 4.7882 4.7882 4.8336 4.8336 4.8347 4.8347 8.4636 8.4636 8.4653 8.4653 8.7721 8.7721 8.7745 8.7745 9.8627 9.8627 9.8652 9.8652 k = 0.0000 0.5000 0.4326 ( 7892 PWs) bands (ev): -8.6561 -8.6561 -8.6561 -8.6561 -7.9325 -7.9325 -7.9325 -7.9325 -6.8326 -6.8326 -6.8326 -6.8326 -6.8198 -6.8198 -6.8198 -6.8198 -2.7982 -2.7982 -2.7982 -2.7982 -0.7780 -0.7780 -0.7780 -0.7780 0.3211 0.3211 0.3211 0.3211 0.6032 0.6032 0.6032 0.6032 2.0004 2.0004 2.0004 2.0004 2.2757 2.2757 2.2757 2.2757 2.6791 2.6791 2.6791 2.6791 2.7526 2.7526 2.7526 2.7526 3.8773 3.8773 3.8773 3.8773 4.0098 4.0098 4.0098 4.0098 4.7868 4.7868 4.7868 4.7868 4.8335 4.8335 4.8335 4.8335 8.4665 8.4665 8.4665 8.4665 8.7732 8.7732 8.7732 8.7732 9.8711 9.8711 9.8711 9.8711 k = 0.5000 0.5000-0.0000 ( 7840 PWs) bands (ev): -8.3802 -8.3802 -8.3802 -8.3802 -8.0720 -8.0720 -8.0720 -8.0720 -7.1140 -7.1140 -7.1140 -7.1140 -6.8234 -6.8234 -6.8234 -6.8234 -2.2492 -2.2492 -2.2492 -2.2492 -1.8755 -1.8755 -1.8755 -1.8755 1.1014 1.1014 1.1014 1.1014 1.1656 1.1656 1.1656 1.1656 1.2447 1.2447 1.2447 1.2447 1.9940 1.9940 1.9940 1.9940 3.0300 3.0300 3.0300 3.0300 3.2693 3.2693 3.2693 3.2693 4.3997 4.3997 4.3997 4.3997 4.6008 4.6008 4.6008 4.6008 4.6236 4.6236 4.6236 4.6236 4.8318 4.8318 4.8318 4.8318 7.1007 7.1007 7.1007 7.1007 8.6534 8.6534 8.6534 8.6534 9.4797 9.4797 9.4797 9.4797 k = 0.5000 0.5000 0.0180 ( 7848 PWs) bands (ev): -8.3797 -8.3797 -8.3797 -8.3797 -8.0719 -8.0719 -8.0719 -8.0719 -7.1145 -7.1145 -7.1145 -7.1145 -6.8244 -6.8244 -6.8243 -6.8243 -2.2477 -2.2477 -2.2476 -2.2476 -1.8745 -1.8745 -1.8745 -1.8745 1.0920 1.0920 1.0980 1.0980 1.1698 1.1698 1.1756 1.1756 1.2432 1.2432 1.2443 1.2443 1.9943 1.9943 1.9958 1.9958 3.0288 3.0288 3.0289 3.0289 3.2684 3.2684 3.2687 3.2687 4.3929 4.3929 4.3950 4.3950 4.5954 4.5954 4.5985 4.5985 4.6230 4.6230 4.6241 4.6241 4.8327 4.8327 4.8353 4.8353 7.1036 7.1036 7.1037 7.1037 8.6529 8.6529 8.6537 8.6537 9.4799 9.4799 9.4846 9.4846 k = 0.5000 0.5000 0.0360 ( 7856 PWs) bands (ev): -8.3781 -8.3781 -8.3781 -8.3781 -8.0717 -8.0717 -8.0716 -8.0716 -7.1161 -7.1161 -7.1159 -7.1159 -6.8271 -6.8271 -6.8270 -6.8270 -2.2429 -2.2429 -2.2428 -2.2428 -1.8715 -1.8715 -1.8714 -1.8714 1.0762 1.0762 1.0847 1.0847 1.1851 1.1851 1.1933 1.1933 1.2399 1.2399 1.2420 1.2420 1.9968 1.9968 1.9996 1.9996 3.0255 3.0255 3.0256 3.0256 3.2662 3.2662 3.2668 3.2668 4.3757 4.3757 4.3796 4.3796 4.5789 4.5789 4.5840 4.5840 4.6261 4.6261 4.6285 4.6285 4.8377 4.8377 4.8423 4.8423 7.1126 7.1126 7.1129 7.1129 8.6522 8.6522 8.6538 8.6538 9.4872 9.4872 9.4944 9.4944 k = 0.5000 0.5000 0.0541 ( 7836 PWs) bands (ev): -8.3754 -8.3754 -8.3753 -8.3753 -8.0712 -8.0712 -8.0711 -8.0711 -7.1185 -7.1185 -7.1183 -7.1183 -6.8315 -6.8315 -6.8313 -6.8313 -2.2350 -2.2350 -2.2349 -2.2349 -1.8664 -1.8664 -1.8664 -1.8664 1.0584 1.0584 1.0679 1.0679 1.2042 1.2042 1.2125 1.2125 1.2367 1.2367 1.2390 1.2390 2.0013 2.0013 2.0056 2.0056 3.0199 3.0199 3.0200 3.0200 3.2626 3.2626 3.2635 3.2635 4.3502 4.3502 4.3553 4.3553 4.5512 4.5512 4.5573 4.5573 4.6337 4.6337 4.6372 4.6372 4.8449 4.8449 4.8509 4.8509 7.1276 7.1276 7.1279 7.1279 8.6512 8.6512 8.6536 8.6536 9.5030 9.5030 9.5111 9.5111 k = 0.5000 0.5000 0.0721 ( 7836 PWs) bands (ev): -8.3717 -8.3717 -8.3716 -8.3716 -8.0706 -8.0706 -8.0704 -8.0704 -7.1219 -7.1219 -7.1215 -7.1215 -6.8377 -6.8377 -6.8375 -6.8375 -2.2241 -2.2241 -2.2239 -2.2239 -1.8596 -1.8596 -1.8595 -1.8595 1.0401 1.0401 1.0502 1.0502 1.2180 1.2180 1.2193 1.2193 1.2419 1.2419 1.2459 1.2459 2.0079 2.0079 2.0135 2.0135 3.0120 3.0120 3.0122 3.0122 3.2575 3.2575 3.2589 3.2589 4.3183 4.3183 4.3242 4.3242 4.5151 4.5151 4.5217 4.5217 4.6433 4.6433 4.6475 4.6475 4.8527 4.8527 4.8595 4.8595 7.1483 7.1483 7.1487 7.1487 8.6496 8.6496 8.6528 8.6528 9.5280 9.5280 9.5359 9.5359 k = 0.5000 0.5000 0.0901 ( 7844 PWs) bands (ev): -8.3669 -8.3669 -8.3668 -8.3668 -8.0700 -8.0700 -8.0697 -8.0697 -7.1259 -7.1259 -7.1255 -7.1255 -6.8454 -6.8454 -6.8452 -6.8452 -2.2102 -2.2102 -2.2100 -2.2100 -1.8510 -1.8510 -1.8509 -1.8509 1.0220 1.0220 1.0323 1.0323 1.2118 1.2118 1.2149 1.2149 1.2615 1.2615 1.2693 1.2693 2.0164 2.0164 2.0233 2.0233 3.0018 3.0018 3.0022 3.0022 3.2511 3.2511 3.2528 3.2528 4.2815 4.2815 4.2879 4.2879 4.4726 4.4726 4.4794 4.4794 4.6534 4.6534 4.6579 4.6579 4.8599 4.8599 4.8673 4.8673 7.1746 7.1746 7.1751 7.1751 8.6475 8.6475 8.6514 8.6514 9.5621 9.5621 9.5693 9.5693 k = 0.5000 0.5000 0.1081 ( 7860 PWs) bands (ev): -8.3612 -8.3612 -8.3610 -8.3610 -8.0693 -8.0693 -8.0690 -8.0690 -7.1307 -7.1307 -7.1302 -7.1302 -6.8548 -6.8548 -6.8545 -6.8545 -2.1936 -2.1936 -2.1934 -2.1934 -1.8408 -1.8408 -1.8407 -1.8407 1.0042 1.0042 1.0148 1.0148 1.2005 1.2005 1.2052 1.2052 1.2874 1.2874 1.2960 1.2960 2.0267 2.0267 2.0350 2.0350 2.9893 2.9893 2.9898 2.9898 3.2434 3.2434 3.2453 3.2453 4.2410 4.2410 4.2477 4.2477 4.4253 4.4253 4.4320 4.4320 4.6631 4.6631 4.6678 4.6678 4.8659 4.8659 4.8736 4.8736 7.2061 7.2061 7.2067 7.2067 8.6446 8.6446 8.6492 8.6492 9.6044 9.6044 9.6105 9.6105 k = 0.5000 0.5000 0.1262 ( 7876 PWs) bands (ev): -8.3544 -8.3544 -8.3543 -8.3543 -8.0687 -8.0687 -8.0683 -8.0683 -7.1359 -7.1359 -7.1354 -7.1354 -6.8656 -6.8656 -6.8652 -6.8652 -2.1744 -2.1744 -2.1742 -2.1742 -1.8294 -1.8294 -1.8293 -1.8293 0.9869 0.9869 0.9977 0.9977 1.1871 1.1871 1.1928 1.1928 1.3157 1.3157 1.3247 1.3247 2.0388 2.0388 2.0482 2.0482 2.9744 2.9744 2.9751 2.9751 3.2341 3.2341 3.2364 3.2364 4.1980 4.1980 4.2049 4.2049 4.3742 4.3742 4.3808 4.3808 4.6722 4.6722 4.6768 4.6768 4.8705 4.8705 4.8782 4.8782 7.2426 7.2426 7.2432 7.2432 8.6410 8.6410 8.6460 8.6460 9.6535 9.6535 9.6577 9.6577 k = 0.5000 0.5000 0.1442 ( 7872 PWs) bands (ev): -8.3467 -8.3467 -8.3465 -8.3465 -8.0681 -8.0681 -8.0677 -8.0677 -7.1415 -7.1415 -7.1409 -7.1409 -6.8777 -6.8777 -6.8773 -6.8773 -2.1529 -2.1529 -2.1526 -2.1526 -1.8169 -1.8169 -1.8168 -1.8168 0.9702 0.9702 0.9811 0.9811 1.1721 1.1721 1.1785 1.1785 1.3458 1.3458 1.3549 1.3549 2.0524 2.0524 2.0630 2.0630 2.9572 2.9572 2.9581 2.9581 3.2235 3.2235 3.2260 3.2260 4.1534 4.1534 4.1603 4.1603 4.3204 4.3204 4.3267 4.3267 4.6806 4.6806 4.6851 4.6851 4.8734 4.8734 4.8810 4.8810 7.2837 7.2837 7.2844 7.2844 8.6365 8.6365 8.6420 8.6420 9.7067 9.7067 9.7080 9.7080 k = 0.5000 0.5000 0.1622 ( 7868 PWs) bands (ev): -8.3381 -8.3381 -8.3379 -8.3379 -8.0678 -8.0678 -8.0674 -8.0674 -7.1473 -7.1473 -7.1466 -7.1466 -6.8911 -6.8911 -6.8906 -6.8906 -2.1292 -2.1292 -2.1289 -2.1289 -1.8036 -1.8036 -1.8035 -1.8035 0.9542 0.9542 0.9652 0.9652 1.1555 1.1555 1.1627 1.1627 1.3775 1.3775 1.3868 1.3868 2.0673 2.0673 2.0791 2.0791 2.9378 2.9378 2.9389 2.9389 3.2113 3.2113 3.2141 3.2141 4.1080 4.1080 4.1149 4.1149 4.2647 4.2647 4.2706 4.2706 4.6882 4.6882 4.6925 4.6925 4.8747 4.8747 4.8822 4.8822 7.3291 7.3291 7.3298 7.3298 8.6311 8.6311 8.6370 8.6370 9.7584 9.7584 9.7606 9.7606 k = 0.5000 0.5000 0.1802 ( 7884 PWs) bands (ev): -8.3287 -8.3287 -8.3284 -8.3284 -8.0679 -8.0679 -8.0674 -8.0674 -7.1530 -7.1530 -7.1522 -7.1522 -6.9055 -6.9055 -6.9050 -6.9050 -2.1036 -2.1036 -2.1033 -2.1033 -1.7899 -1.7899 -1.7898 -1.7898 0.9390 0.9390 0.9501 0.9501 1.1377 1.1377 1.1455 1.1455 1.4108 1.4108 1.4202 1.4202 2.0833 2.0833 2.0961 2.0961 2.9161 2.9161 2.9176 2.9176 3.1974 3.1974 3.2005 3.2005 4.0626 4.0626 4.0694 4.0694 4.2081 4.2081 4.2136 4.2136 4.6952 4.6952 4.6992 4.6992 4.8745 4.8745 4.8818 4.8818 7.3784 7.3784 7.3792 7.3792 8.6246 8.6246 8.6308 8.6308 9.8069 9.8069 9.8121 9.8121 k = 0.5000 0.5000 0.1983 ( 7876 PWs) bands (ev): -8.3184 -8.3184 -8.3181 -8.3181 -8.0683 -8.0683 -8.0678 -8.0678 -7.1584 -7.1584 -7.1576 -7.1576 -6.9209 -6.9209 -6.9203 -6.9203 -2.0765 -2.0765 -2.0762 -2.0762 -1.7761 -1.7761 -1.7760 -1.7760 0.9246 0.9246 0.9359 0.9359 1.1189 1.1189 1.1271 1.1271 1.4458 1.4458 1.4552 1.4552 2.0999 2.0999 2.1138 2.1138 2.8925 2.8925 2.8944 2.8944 3.1819 3.1819 3.1852 3.1852 4.0180 4.0180 4.0247 4.0247 4.1515 4.1515 4.1566 4.1566 4.7017 4.7017 4.7053 4.7053 4.8728 4.8728 4.8800 4.8800 7.4312 7.4312 7.4321 7.4321 8.6169 8.6169 8.6233 8.6233 9.8520 9.8521 9.8535 9.8537 k = 0.5000 0.5000 0.2163 ( 7876 PWs) bands (ev): -8.3074 -8.3074 -8.3071 -8.3071 -8.0694 -8.0694 -8.0688 -8.0688 -7.1634 -7.1634 -7.1625 -7.1625 -6.9371 -6.9371 -6.9365 -6.9365 -2.0482 -2.0482 -2.0479 -2.0479 -1.7626 -1.7626 -1.7624 -1.7624 0.9113 0.9113 0.9227 0.9227 1.0993 1.0993 1.1079 1.1079 1.4823 1.4823 1.4919 1.4919 2.1168 2.1168 2.1318 2.1318 2.8673 2.8673 2.8696 2.8696 3.1645 3.1645 3.1681 3.1681 3.9750 3.9750 3.9815 3.9815 4.0957 4.0957 4.1004 4.1004 4.7077 4.7077 4.7110 4.7110 4.8699 4.8699 4.8768 4.8768 7.4872 7.4872 7.4882 7.4882 8.6077 8.6077 8.6142 8.6142 9.8828 9.8828 9.8850 9.8850 k = 0.5000 0.5000 0.2343 ( 7860 PWs) bands (ev): -8.2958 -8.2958 -8.2954 -8.2954 -8.0710 -8.0710 -8.0704 -8.0704 -7.1677 -7.1677 -7.1668 -7.1668 -6.9538 -6.9538 -6.9532 -6.9532 -2.0189 -2.0189 -2.0186 -2.0186 -1.7497 -1.7497 -1.7495 -1.7495 0.8992 0.8992 0.9107 0.9107 1.0790 1.0790 1.0880 1.0880 1.5204 1.5204 1.5302 1.5302 2.1332 2.1332 2.1492 2.1492 2.8410 2.8410 2.8439 2.8439 3.1452 3.1452 3.1489 3.1489 3.9341 3.9341 3.9403 3.9403 4.0417 4.0417 4.0459 4.0459 4.7135 4.7135 4.7164 4.7164 4.8659 4.8659 4.8724 4.8724 7.5460 7.5460 7.5470 7.5470 8.5967 8.5967 8.6032 8.6032 9.9125 9.9125 9.9149 9.9149 k = 0.5000 0.5000 0.2523 ( 7860 PWs) bands (ev): -8.2835 -8.2835 -8.2832 -8.2832 -8.0734 -8.0734 -8.0728 -8.0728 -7.1712 -7.1712 -7.1702 -7.1702 -6.9711 -6.9711 -6.9704 -6.9704 -1.9891 -1.9891 -1.9888 -1.9888 -1.7377 -1.7377 -1.7376 -1.7376 0.8884 0.8884 0.8999 0.8999 1.0583 1.0583 1.0677 1.0677 1.5601 1.5601 1.5700 1.5700 2.1484 2.1484 2.1655 2.1655 2.8146 2.8146 2.8181 2.8181 3.1237 3.1237 3.1276 3.1276 3.8959 3.8959 3.9018 3.9018 3.9902 3.9902 3.9938 3.9938 4.7192 4.7192 4.7217 4.7217 4.8608 4.8608 4.8670 4.8670 7.6071 7.6071 7.6082 7.6082 8.5833 8.5833 8.5898 8.5898 9.9406 9.9406 9.9432 9.9432 k = 0.5000 0.5000 0.2703 ( 7844 PWs) bands (ev): -8.2708 -8.2708 -8.2704 -8.2704 -8.0767 -8.0767 -8.0760 -8.0760 -7.1736 -7.1736 -7.1726 -7.1726 -6.9886 -6.9886 -6.9878 -6.9878 -1.9591 -1.9591 -1.9588 -1.9588 -1.7271 -1.7271 -1.7270 -1.7270 0.8791 0.8791 0.8907 0.8907 1.0375 1.0375 1.0471 1.0471 1.6013 1.6013 1.6114 1.6114 2.1614 2.1614 2.1794 2.1794 2.7893 2.7893 2.7934 2.7934 3.1000 3.1000 3.1040 3.1040 3.8608 3.8608 3.8664 3.8664 3.9420 3.9420 3.9451 3.9451 4.7249 4.7249 4.7269 4.7269 4.8549 4.8549 4.8608 4.8608 7.6700 7.6700 7.6713 7.6713 8.5672 8.5672 8.5736 8.5736 9.9666 9.9666 9.9695 9.9695 k = 0.5000 0.5000 0.2884 ( 7840 PWs) bands (ev): -8.2576 -8.2576 -8.2571 -8.2571 -8.0809 -8.0809 -8.0802 -8.0802 -7.1748 -7.1748 -7.1737 -7.1737 -7.0062 -7.0062 -7.0054 -7.0054 -1.9292 -1.9292 -1.9289 -1.9289 -1.7182 -1.7182 -1.7181 -1.7181 0.8714 0.8714 0.8830 0.8830 1.0168 1.0168 1.0267 1.0267 1.6440 1.6440 1.6543 1.6543 2.1708 2.1708 2.1897 2.1897 2.7664 2.7664 2.7710 2.7710 3.0740 3.0740 3.0781 3.0781 3.8292 3.8292 3.8344 3.8344 3.8977 3.8977 3.9003 3.9003 4.7306 4.7306 4.7322 4.7322 4.8483 4.8483 4.8538 4.8538 7.7345 7.7345 7.7358 7.7358 8.5478 8.5478 8.5540 8.5540 9.9902 9.9902 9.9932 9.9932 k = 0.5000 0.5000 0.3064 ( 7824 PWs) bands (ev): -8.2441 -8.2441 -8.2436 -8.2436 -8.0861 -8.0861 -8.0854 -8.0854 -7.1746 -7.1746 -7.1735 -7.1735 -7.0237 -7.0237 -7.0229 -7.0229 -1.8999 -1.8999 -1.8996 -1.8996 -1.7114 -1.7114 -1.7112 -1.7112 0.8656 0.8656 0.8772 0.8772 0.9964 0.9964 1.0065 1.0065 1.6879 1.6879 1.6985 1.6985 2.1752 2.1752 2.1946 2.1946 2.7479 2.7479 2.7529 2.7529 3.0458 3.0458 3.0498 3.0498 3.8013 3.8013 3.8061 3.8061 3.8579 3.8579 3.8599 3.8599 4.7366 4.7366 4.7377 4.7377 4.8411 4.8411 4.8462 4.8462 7.7999 7.7999 7.8013 7.8013 8.5247 8.5247 8.5307 8.5307 10.0108 10.0108 10.0141 10.0141 k = 0.5000 0.5000 0.3244 ( 7836 PWs) bands (ev): -8.2304 -8.2304 -8.2299 -8.2299 -8.0923 -8.0923 -8.0916 -8.0916 -7.1730 -7.1730 -7.1719 -7.1719 -7.0410 -7.0410 -7.0402 -7.0402 -1.8715 -1.8715 -1.8713 -1.8713 -1.7069 -1.7069 -1.7068 -1.7068 0.8617 0.8617 0.8733 0.8733 0.9766 0.9766 0.9870 0.9870 1.7330 1.7330 1.7440 1.7440 2.1730 2.1730 2.1927 2.1927 2.7356 2.7356 2.7406 2.7406 3.0155 3.0155 3.0194 3.0194 3.7772 3.7772 3.7816 3.7816 3.8230 3.8230 3.8245 3.8245 4.7427 4.7427 4.7434 4.7434 4.8335 4.8335 4.8381 4.8381 7.8657 7.8657 7.8674 7.8674 8.4975 8.4975 8.5032 8.5032 10.0284 10.0284 10.0320 10.0320 k = 0.5000 0.5000 0.3424 ( 7836 PWs) bands (ev): -8.2166 -8.2166 -8.2160 -8.2160 -8.0996 -8.0996 -8.0989 -8.0989 -7.1698 -7.1698 -7.1687 -7.1687 -7.0579 -7.0579 -7.0570 -7.0570 -1.8444 -1.8444 -1.8442 -1.8442 -1.7050 -1.7050 -1.7049 -1.7049 0.8598 0.8598 0.8715 0.8715 0.9577 0.9577 0.9682 0.9682 1.7791 1.7791 1.7904 1.7904 2.1633 2.1633 2.1827 2.1827 2.7310 2.7310 2.7356 2.7356 2.9835 2.9835 2.9871 2.9871 3.7570 3.7570 3.7611 3.7611 3.7931 3.7931 3.7941 3.7941 4.7492 4.7492 4.7494 4.7494 4.8255 4.8255 4.8297 4.8297 7.9316 7.9316 7.9334 7.9334 8.4658 8.4658 8.4713 8.4713 10.0429 10.0429 10.0469 10.0469 k = 0.5000 0.5000 0.3605 ( 7840 PWs) bands (ev): -8.2028 -8.2028 -8.2022 -8.2022 -8.1079 -8.1079 -8.1072 -8.1072 -7.1650 -7.1650 -7.1639 -7.1639 -7.0742 -7.0742 -7.0733 -7.0733 -1.8190 -1.8190 -1.8188 -1.8188 -1.7059 -1.7059 -1.7058 -1.7058 0.8601 0.8601 0.8718 0.8718 0.9399 0.9399 0.9505 0.9505 1.8257 1.8257 1.8376 1.8376 2.1455 2.1455 2.1643 2.1643 2.7347 2.7347 2.7386 2.7386 2.9502 2.9502 2.9535 2.9535 3.7409 3.7409 3.7446 3.7446 3.7685 3.7685 3.7690 3.7690 4.7557 4.7557 4.7560 4.7560 4.8174 4.8174 4.8211 4.8211 7.9968 7.9968 7.9988 7.9988 8.4296 8.4296 8.4347 8.4347 10.0543 10.0543 10.0588 10.0588 k = 0.5000 0.5000 0.3785 ( 7824 PWs) bands (ev): -8.1891 -8.1891 -8.1885 -8.1885 -8.1172 -8.1172 -8.1165 -8.1165 -7.1586 -7.1586 -7.1575 -7.1575 -7.0897 -7.0897 -7.0887 -7.0887 -1.7955 -1.7955 -1.7953 -1.7953 -1.7097 -1.7097 -1.7097 -1.7097 0.8627 0.8627 0.8743 0.8743 0.9234 0.9234 0.9342 0.9342 1.8726 1.8726 1.8850 1.8850 2.1200 2.1200 2.1379 2.1379 2.7465 2.7465 2.7493 2.7493 2.9162 2.9162 2.9190 2.9190 3.7289 3.7289 3.7322 3.7322 3.7490 3.7490 3.7491 3.7491 4.7624 4.7624 4.7632 4.7632 4.8092 4.8092 4.8125 4.8125 8.0608 8.0608 8.0630 8.0630 8.3887 8.3887 8.3935 8.3935 10.0629 10.0629 10.0679 10.0679 k = 0.5000 0.5000 0.3965 ( 7824 PWs) bands (ev): -8.1757 -8.1757 -8.1751 -8.1751 -8.1274 -8.1274 -8.1267 -8.1267 -7.1506 -7.1506 -7.1495 -7.1495 -7.1043 -7.1043 -7.1033 -7.1033 -1.7742 -1.7742 -1.7741 -1.7741 -1.7166 -1.7166 -1.7166 -1.7166 0.8674 0.8674 0.8790 0.8790 0.9085 0.9085 0.9194 0.9194 1.9193 1.9193 1.9324 1.9324 2.0879 2.0879 2.1047 2.1047 2.7654 2.7654 2.7670 2.7670 2.8822 2.8822 2.8845 2.8845 3.7210 3.7210 3.7239 3.7239 3.7343 3.7343 3.7346 3.7346 4.7694 4.7694 4.7707 4.7707 4.8010 4.8010 4.8038 4.8038 8.1231 8.1231 8.1254 8.1254 8.3433 8.3433 8.3479 8.3479 10.0689 10.0689 10.0746 10.0755 k = 0.5000 0.5000 0.4145 ( 7832 PWs) bands (ev): -8.1627 -8.1627 -8.1621 -8.1621 -8.1385 -8.1385 -8.1378 -8.1378 -7.1411 -7.1411 -7.1400 -7.1400 -7.1178 -7.1178 -7.1168 -7.1168 -1.7555 -1.7555 -1.7554 -1.7554 -1.7266 -1.7266 -1.7266 -1.7266 0.8743 0.8743 0.8860 0.8860 0.8955 0.8955 0.9063 0.9063 1.9651 1.9651 1.9789 1.9789 2.0505 2.0505 2.0663 2.0663 2.7900 2.7900 2.7905 2.7905 2.8493 2.8493 2.8507 2.8507 3.7171 3.7171 3.7199 3.7199 3.7246 3.7246 3.7251 3.7251 4.7765 4.7765 4.7786 4.7786 4.7931 4.7931 4.7952 4.7952 8.1830 8.1830 8.1853 8.1853 8.2936 8.2936 8.2982 8.2982 10.0725 10.0725 10.0770 10.0770 k = 0.5000 0.5000 0.4326 ( 7832 PWs) bands (ev): -8.1503 -8.1503 -8.1502 -8.1502 -8.1496 -8.1496 -8.1496 -8.1496 -7.1301 -7.1301 -7.1301 -7.1301 -7.1293 -7.1293 -7.1288 -7.1288 -1.7399 -1.7399 -1.7395 -1.7395 -1.7395 -1.7395 -1.7393 -1.7393 0.8812 0.8812 0.8865 0.8865 0.8951 0.8951 0.8951 0.8951 2.0091 2.0091 2.0091 2.0091 2.0216 2.0216 2.0261 2.0261 2.8183 2.8183 2.8183 2.8183 2.8185 2.8185 2.8192 2.8192 3.7164 3.7164 3.7202 3.7202 3.7202 3.7202 3.7208 3.7208 4.7819 4.7819 4.7868 4.7868 4.7868 4.7868 4.7875 4.7875 8.2341 8.2341 8.2400 8.2400 8.2400 8.2400 8.2528 8.2528 10.0737 10.0737 10.0774 10.0774 Writing output data file SiS2.save init_run : 1.46s CPU 0.89s WALL ( 1 calls) electrons : 1175.13s CPU 1097.55s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.30s CPU 0.24s WALL ( 1 calls) Called by electrons: c_bands : 1175.12s CPU 1097.54s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.55s CPU 0.31s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.38s CPU 0.48s WALL ( 265 calls) cegterg : 1041.45s CPU 1022.29s WALL ( 583 calls) Called by sum_band: Called by *egterg: h_psi : 619.29s CPU 552.88s WALL ( 10191 calls) s_psi : 31.18s CPU 28.08s WALL ( 10191 calls) g_psi : 0.26s CPU 0.33s WALL ( 9343 calls) cdiaghg : 434.78s CPU 430.73s WALL ( 9608 calls) cegterg:over : 34.25s CPU 34.49s WALL ( 9343 calls) cegterg:upda : 16.00s CPU 16.07s WALL ( 9343 calls) cegterg:last : 11.08s CPU 11.06s WALL ( 1377 calls) cdiaghg:chol : 15.46s CPU 15.41s WALL ( 9608 calls) cdiaghg:inve : 11.76s CPU 11.86s WALL ( 9608 calls) cdiaghg:para : 46.35s CPU 45.98s WALL ( 19216 calls) Called by h_psi: h_psi:vloc : 547.72s CPU 487.32s WALL ( 10191 calls) h_psi:vnl : 71.22s CPU 65.20s WALL ( 10191 calls) add_vuspsi : 34.68s CPU 31.26s WALL ( 10191 calls) General routines calbec : 36.46s CPU 33.90s WALL ( 10191 calls) fft : 0.12s CPU 0.07s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 541.86s CPU 481.89s WALL ( 1195424 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.35s CPU 0.85s WALL ( 530 calls) Parallel routines fft_scatter : 454.56s CPU 425.76s WALL ( 1195447 calls) PWSCF : 21m 0.54s CPU 20m 0.85s WALL This run was terminated on: 7:13:20 29Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=