Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:37: 0 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./CaxCuSx2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 19 5 1248 685 109 Max 29 20 6 1261 702 116 Sum 1039 703 211 45263 24923 4019 bravais-lattice index = 14 lattice parameter (alat) = 7.4455 a.u. unit-cell volume = 591.7891 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.445520 celldm(2)= 1.000000 celldm(3)= 1.655584 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.655584 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.604017 ) 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 Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Ca 10.00 40.07800 Ca( 1.00) Cu 11.00 63.54600 Cu( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 340 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0106383 0.0061420 -0.0000000), wk = 0.0029412 k( 3) = ( 0.0212766 0.0122841 -0.0000000), wk = 0.0029412 k( 4) = ( 0.0319149 0.0184261 -0.0000000), wk = 0.0029412 k( 5) = ( 0.0425532 0.0245681 -0.0000000), wk = 0.0029412 k( 6) = ( 0.0531915 0.0307101 -0.0000000), wk = 0.0029412 k( 7) = ( 0.0638298 0.0368521 -0.0000000), wk = 0.0029412 k( 8) = ( 0.0744681 0.0429942 -0.0000000), wk = 0.0029412 k( 9) = ( 0.0851064 0.0491362 -0.0000000), wk = 0.0029412 k( 10) = ( 0.0957447 0.0552782 -0.0000000), wk = 0.0029412 k( 11) = ( 0.1063830 0.0614202 -0.0000000), wk = 0.0029412 k( 12) = ( 0.1170213 0.0675623 -0.0000000), wk = 0.0029412 k( 13) = ( 0.1276596 0.0737043 -0.0000000), wk = 0.0029412 k( 14) = ( 0.1382979 0.0798463 -0.0000000), wk = 0.0029412 k( 15) = ( 0.1489362 0.0859883 -0.0000000), wk = 0.0029412 k( 16) = ( 0.1595745 0.0921304 -0.0000000), wk = 0.0029412 k( 17) = ( 0.1702128 0.0982724 -0.0000000), wk = 0.0029412 k( 18) = ( 0.1808511 0.1044144 -0.0000000), wk = 0.0029412 k( 19) = ( 0.1914894 0.1105564 -0.0000000), wk = 0.0029412 k( 20) = ( 0.2021277 0.1166985 -0.0000000), wk = 0.0029412 k( 21) = ( 0.2127660 0.1228405 -0.0000000), wk = 0.0029412 k( 22) = ( 0.2234043 0.1289825 -0.0000000), wk = 0.0029412 k( 23) = ( 0.2340425 0.1351245 -0.0000000), wk = 0.0029412 k( 24) = ( 0.2446809 0.1412666 -0.0000000), wk = 0.0029412 k( 25) = ( 0.2553191 0.1474086 -0.0000000), wk = 0.0029412 k( 26) = ( 0.2659574 0.1535506 -0.0000000), wk = 0.0029412 k( 27) = ( 0.2765957 0.1596926 -0.0000000), wk = 0.0029412 k( 28) = ( 0.2872340 0.1658347 -0.0000000), wk = 0.0029412 k( 29) = ( 0.2978723 0.1719767 -0.0000000), wk = 0.0029412 k( 30) = ( 0.3085106 0.1781187 -0.0000000), wk = 0.0029412 k( 31) = ( 0.3191489 0.1842607 -0.0000000), wk = 0.0029412 k( 32) = ( 0.3297872 0.1904027 -0.0000000), wk = 0.0029412 k( 33) = ( 0.3404255 0.1965448 -0.0000000), wk = 0.0029412 k( 34) = ( 0.3510638 0.2026868 -0.0000000), wk = 0.0029412 k( 35) = ( 0.3617021 0.2088288 -0.0000000), wk = 0.0029412 k( 36) = ( 0.3723404 0.2149708 -0.0000000), wk = 0.0029412 k( 37) = ( 0.3829787 0.2211129 -0.0000000), wk = 0.0029412 k( 38) = ( 0.3936170 0.2272549 -0.0000000), wk = 0.0029412 k( 39) = ( 0.4042553 0.2333969 -0.0000000), wk = 0.0029412 k( 40) = ( 0.4148936 0.2395389 -0.0000000), wk = 0.0029412 k( 41) = ( 0.4255319 0.2456810 -0.0000000), wk = 0.0029412 k( 42) = ( 0.4361702 0.2518230 -0.0000000), wk = 0.0029412 k( 43) = ( 0.4468085 0.2579650 -0.0000000), wk = 0.0029412 k( 44) = ( 0.4574468 0.2641070 -0.0000000), wk = 0.0029412 k( 45) = ( 0.4680851 0.2702491 -0.0000000), wk = 0.0029412 k( 46) = ( 0.4787234 0.2763911 -0.0000000), wk = 0.0029412 k( 47) = ( 0.4893617 0.2825331 -0.0000000), wk = 0.0029412 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029412 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029412 k( 50) = ( 0.4938272 0.2993668 -0.0000000), wk = 0.0029412 k( 51) = ( 0.4876543 0.3100585 -0.0000000), wk = 0.0029412 k( 52) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0029412 k( 53) = ( 0.4753086 0.3314418 -0.0000000), wk = 0.0029412 k( 54) = ( 0.4691358 0.3421335 -0.0000000), wk = 0.0029412 k( 55) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0029412 k( 56) = ( 0.4567901 0.3635168 -0.0000000), wk = 0.0029412 k( 57) = ( 0.4506173 0.3742085 -0.0000000), wk = 0.0029412 k( 58) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0029412 k( 59) = ( 0.4382716 0.3955918 -0.0000000), wk = 0.0029412 k( 60) = ( 0.4320988 0.4062835 -0.0000000), wk = 0.0029412 k( 61) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0029412 k( 62) = ( 0.4197531 0.4276669 -0.0000000), wk = 0.0029412 k( 63) = ( 0.4135802 0.4383585 -0.0000000), wk = 0.0029412 k( 64) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0029412 k( 65) = ( 0.4012346 0.4597419 -0.0000000), wk = 0.0029412 k( 66) = ( 0.3950617 0.4704335 -0.0000000), wk = 0.0029412 k( 67) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0029412 k( 68) = ( 0.3827160 0.4918169 -0.0000000), wk = 0.0029412 k( 69) = ( 0.3765432 0.5025086 -0.0000000), wk = 0.0029412 k( 70) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0029412 k( 71) = ( 0.3641975 0.5238919 -0.0000000), wk = 0.0029412 k( 72) = ( 0.3580247 0.5345836 -0.0000000), wk = 0.0029412 k( 73) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0029412 k( 74) = ( 0.3456790 0.5559669 -0.0000000), wk = 0.0029412 k( 75) = ( 0.3395062 0.5666586 -0.0000000), wk = 0.0029412 k( 76) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029412 k( 77) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029412 k( 78) = ( 0.3271605 0.5666586 -0.0000000), wk = 0.0029412 k( 79) = ( 0.3209877 0.5559669 -0.0000000), wk = 0.0029412 k( 80) = ( 0.3148148 0.5452752 -0.0000000), wk = 0.0029412 k( 81) = ( 0.3086420 0.5345836 -0.0000000), wk = 0.0029412 k( 82) = ( 0.3024691 0.5238919 -0.0000000), wk = 0.0029412 k( 83) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0029412 k( 84) = ( 0.2901235 0.5025086 -0.0000000), wk = 0.0029412 k( 85) = ( 0.2839506 0.4918169 -0.0000000), wk = 0.0029412 k( 86) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0029412 k( 87) = ( 0.2716049 0.4704336 -0.0000000), wk = 0.0029412 k( 88) = ( 0.2654321 0.4597419 -0.0000000), wk = 0.0029412 k( 89) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0029412 k( 90) = ( 0.2530864 0.4383585 -0.0000000), wk = 0.0029412 k( 91) = ( 0.2469136 0.4276669 -0.0000000), wk = 0.0029412 k( 92) = ( 0.2407407 0.4169752 -0.0000000), wk = 0.0029412 k( 93) = ( 0.2345679 0.4062835 -0.0000000), wk = 0.0029412 k( 94) = ( 0.2283951 0.3955918 -0.0000000), wk = 0.0029412 k( 95) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0029412 k( 96) = ( 0.2160494 0.3742085 -0.0000000), wk = 0.0029412 k( 97) = ( 0.2098765 0.3635168 -0.0000000), wk = 0.0029412 k( 98) = ( 0.2037037 0.3528252 -0.0000000), wk = 0.0029412 k( 99) = ( 0.1975309 0.3421335 -0.0000000), wk = 0.0029412 k( 100) = ( 0.1913580 0.3314418 -0.0000000), wk = 0.0029412 k( 101) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0029412 k( 102) = ( 0.1790123 0.3100585 -0.0000000), wk = 0.0029412 k( 103) = ( 0.1728395 0.2993668 -0.0000000), wk = 0.0029412 k( 104) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0029412 k( 105) = ( 0.1604938 0.2779835 -0.0000000), wk = 0.0029412 k( 106) = ( 0.1543210 0.2672918 -0.0000000), wk = 0.0029412 k( 107) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0029412 k( 108) = ( 0.1419753 0.2459085 -0.0000000), wk = 0.0029412 k( 109) = ( 0.1358025 0.2352168 -0.0000000), wk = 0.0029412 k( 110) = ( 0.1296296 0.2245251 -0.0000000), wk = 0.0029412 k( 111) = ( 0.1234568 0.2138334 -0.0000000), wk = 0.0029412 k( 112) = ( 0.1172839 0.2031418 -0.0000000), wk = 0.0029412 k( 113) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0029412 k( 114) = ( 0.1049383 0.1817584 -0.0000000), wk = 0.0029412 k( 115) = ( 0.0987654 0.1710667 -0.0000000), wk = 0.0029412 k( 116) = ( 0.0925926 0.1603751 -0.0000000), wk = 0.0029412 k( 117) = ( 0.0864198 0.1496834 -0.0000000), wk = 0.0029412 k( 118) = ( 0.0802469 0.1389917 -0.0000000), wk = 0.0029412 k( 119) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0029412 k( 120) = ( 0.0679012 0.1176084 -0.0000000), wk = 0.0029412 k( 121) = ( 0.0617284 0.1069167 -0.0000000), wk = 0.0029412 k( 122) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0029412 k( 123) = ( 0.0493827 0.0855334 -0.0000000), wk = 0.0029412 k( 124) = ( 0.0432099 0.0748417 -0.0000000), wk = 0.0029412 k( 125) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0029412 k( 126) = ( 0.0308642 0.0534584 -0.0000000), wk = 0.0029412 k( 127) = ( 0.0246914 0.0427667 -0.0000000), wk = 0.0029412 k( 128) = ( 0.0185185 0.0320750 -0.0000000), wk = 0.0029412 k( 129) = ( 0.0123457 0.0213833 -0.0000000), wk = 0.0029412 k( 130) = ( 0.0061728 0.0106917 -0.0000000), wk = 0.0029412 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 133) = ( 0.0000000 0.0000000 0.0120803), wk = 0.0029412 k( 134) = ( 0.0000000 0.0000000 0.0241607), wk = 0.0029412 k( 135) = ( 0.0000000 0.0000000 0.0362410), wk = 0.0029412 k( 136) = ( 0.0000000 0.0000000 0.0483213), wk = 0.0029412 k( 137) = ( 0.0000000 0.0000000 0.0604017), wk = 0.0029412 k( 138) = ( 0.0000000 0.0000000 0.0724820), wk = 0.0029412 k( 139) = ( 0.0000000 0.0000000 0.0845623), wk = 0.0029412 k( 140) = ( 0.0000000 0.0000000 0.0966426), wk = 0.0029412 k( 141) = ( 0.0000000 0.0000000 0.1087230), wk = 0.0029412 k( 142) = ( 0.0000000 0.0000000 0.1208033), wk = 0.0029412 k( 143) = ( 0.0000000 0.0000000 0.1328836), wk = 0.0029412 k( 144) = ( 0.0000000 0.0000000 0.1449640), wk = 0.0029412 k( 145) = ( 0.0000000 0.0000000 0.1570443), wk = 0.0029412 k( 146) = ( 0.0000000 0.0000000 0.1691246), wk = 0.0029412 k( 147) = ( 0.0000000 0.0000000 0.1812050), wk = 0.0029412 k( 148) = ( 0.0000000 0.0000000 0.1932853), wk = 0.0029412 k( 149) = ( 0.0000000 0.0000000 0.2053656), wk = 0.0029412 k( 150) = ( 0.0000000 0.0000000 0.2174460), wk = 0.0029412 k( 151) = ( 0.0000000 0.0000000 0.2295263), wk = 0.0029412 k( 152) = ( 0.0000000 0.0000000 0.2416066), wk = 0.0029412 k( 153) = ( 0.0000000 0.0000000 0.2536870), wk = 0.0029412 k( 154) = ( 0.0000000 0.0000000 0.2657673), wk = 0.0029412 k( 155) = ( 0.0000000 0.0000000 0.2778476), wk = 0.0029412 k( 156) = ( 0.0000000 0.0000000 0.2899279), wk = 0.0029412 k( 157) = ( 0.0000000 0.0000000 0.3020083), wk = 0.0029412 k( 158) = ( 0.0000000 0.0000000 0.3020083), wk = 0.0029412 k( 159) = ( 0.0106383 0.0061420 0.3020083), wk = 0.0029412 k( 160) = ( 0.0212766 0.0122841 0.3020083), wk = 0.0029412 k( 161) = ( 0.0319149 0.0184261 0.3020083), wk = 0.0029412 k( 162) = ( 0.0425532 0.0245681 0.3020083), wk = 0.0029412 k( 163) = ( 0.0531915 0.0307101 0.3020083), wk = 0.0029412 k( 164) = ( 0.0638298 0.0368521 0.3020083), wk = 0.0029412 k( 165) = ( 0.0744681 0.0429942 0.3020083), wk = 0.0029412 k( 166) = ( 0.0851064 0.0491362 0.3020083), wk = 0.0029412 k( 167) = ( 0.0957447 0.0552782 0.3020083), wk = 0.0029412 k( 168) = ( 0.1063830 0.0614202 0.3020083), wk = 0.0029412 k( 169) = ( 0.1170213 0.0675623 0.3020083), wk = 0.0029412 k( 170) = ( 0.1276596 0.0737043 0.3020083), wk = 0.0029412 k( 171) = ( 0.1382979 0.0798463 0.3020083), wk = 0.0029412 k( 172) = ( 0.1489362 0.0859883 0.3020083), wk = 0.0029412 k( 173) = ( 0.1595745 0.0921304 0.3020083), wk = 0.0029412 k( 174) = ( 0.1702128 0.0982724 0.3020083), wk = 0.0029412 k( 175) = ( 0.1808511 0.1044144 0.3020083), wk = 0.0029412 k( 176) = ( 0.1914894 0.1105564 0.3020083), wk = 0.0029412 k( 177) = ( 0.2021277 0.1166985 0.3020083), wk = 0.0029412 k( 178) = ( 0.2127660 0.1228405 0.3020083), wk = 0.0029412 k( 179) = ( 0.2234043 0.1289825 0.3020083), wk = 0.0029412 k( 180) = ( 0.2340425 0.1351245 0.3020083), wk = 0.0029412 k( 181) = ( 0.2446809 0.1412666 0.3020083), wk = 0.0029412 k( 182) = ( 0.2553191 0.1474086 0.3020083), wk = 0.0029412 k( 183) = ( 0.2659574 0.1535506 0.3020083), wk = 0.0029412 k( 184) = ( 0.2765957 0.1596926 0.3020083), wk = 0.0029412 k( 185) = ( 0.2872340 0.1658347 0.3020083), wk = 0.0029412 k( 186) = ( 0.2978723 0.1719767 0.3020083), wk = 0.0029412 k( 187) = ( 0.3085106 0.1781187 0.3020083), wk = 0.0029412 k( 188) = ( 0.3191489 0.1842607 0.3020083), wk = 0.0029412 k( 189) = ( 0.3297872 0.1904027 0.3020083), wk = 0.0029412 k( 190) = ( 0.3404255 0.1965448 0.3020083), wk = 0.0029412 k( 191) = ( 0.3510638 0.2026868 0.3020083), wk = 0.0029412 k( 192) = ( 0.3617021 0.2088288 0.3020083), wk = 0.0029412 k( 193) = ( 0.3723404 0.2149708 0.3020083), wk = 0.0029412 k( 194) = ( 0.3829787 0.2211129 0.3020083), wk = 0.0029412 k( 195) = ( 0.3936170 0.2272549 0.3020083), wk = 0.0029412 k( 196) = ( 0.4042553 0.2333969 0.3020083), wk = 0.0029412 k( 197) = ( 0.4148936 0.2395389 0.3020083), wk = 0.0029412 k( 198) = ( 0.4255319 0.2456810 0.3020083), wk = 0.0029412 k( 199) = ( 0.4361702 0.2518230 0.3020083), wk = 0.0029412 k( 200) = ( 0.4468085 0.2579650 0.3020083), wk = 0.0029412 k( 201) = ( 0.4574468 0.2641070 0.3020083), wk = 0.0029412 k( 202) = ( 0.4680851 0.2702491 0.3020083), wk = 0.0029412 k( 203) = ( 0.4787234 0.2763911 0.3020083), wk = 0.0029412 k( 204) = ( 0.4893617 0.2825331 0.3020083), wk = 0.0029412 k( 205) = ( 0.5000000 0.2886751 0.3020083), wk = 0.0029412 k( 206) = ( 0.5000000 0.2886751 0.3020083), wk = 0.0029412 k( 207) = ( 0.4938272 0.2993668 0.3020083), wk = 0.0029412 k( 208) = ( 0.4876543 0.3100585 0.3020083), wk = 0.0029412 k( 209) = ( 0.4814815 0.3207502 0.3020083), wk = 0.0029412 k( 210) = ( 0.4753086 0.3314418 0.3020083), wk = 0.0029412 k( 211) = ( 0.4691358 0.3421335 0.3020083), wk = 0.0029412 k( 212) = ( 0.4629630 0.3528252 0.3020083), wk = 0.0029412 k( 213) = ( 0.4567901 0.3635168 0.3020083), wk = 0.0029412 k( 214) = ( 0.4506173 0.3742085 0.3020083), wk = 0.0029412 k( 215) = ( 0.4444444 0.3849002 0.3020083), wk = 0.0029412 k( 216) = ( 0.4382716 0.3955918 0.3020083), wk = 0.0029412 k( 217) = ( 0.4320988 0.4062835 0.3020083), wk = 0.0029412 k( 218) = ( 0.4259259 0.4169752 0.3020083), wk = 0.0029412 k( 219) = ( 0.4197531 0.4276669 0.3020083), wk = 0.0029412 k( 220) = ( 0.4135802 0.4383585 0.3020083), wk = 0.0029412 k( 221) = ( 0.4074074 0.4490502 0.3020083), wk = 0.0029412 k( 222) = ( 0.4012346 0.4597419 0.3020083), wk = 0.0029412 k( 223) = ( 0.3950617 0.4704335 0.3020083), wk = 0.0029412 k( 224) = ( 0.3888889 0.4811252 0.3020083), wk = 0.0029412 k( 225) = ( 0.3827160 0.4918169 0.3020083), wk = 0.0029412 k( 226) = ( 0.3765432 0.5025086 0.3020083), wk = 0.0029412 k( 227) = ( 0.3703704 0.5132002 0.3020083), wk = 0.0029412 k( 228) = ( 0.3641975 0.5238919 0.3020083), wk = 0.0029412 k( 229) = ( 0.3580247 0.5345836 0.3020083), wk = 0.0029412 k( 230) = ( 0.3518519 0.5452753 0.3020083), wk = 0.0029412 k( 231) = ( 0.3456790 0.5559669 0.3020083), wk = 0.0029412 k( 232) = ( 0.3395062 0.5666586 0.3020083), wk = 0.0029412 k( 233) = ( 0.3333333 0.5773503 0.3020083), wk = 0.0029412 k( 234) = ( 0.3333333 0.5773503 0.3020083), wk = 0.0029412 k( 235) = ( 0.3271605 0.5666586 0.3020083), wk = 0.0029412 k( 236) = ( 0.3209877 0.5559669 0.3020083), wk = 0.0029412 k( 237) = ( 0.3148148 0.5452752 0.3020083), wk = 0.0029412 k( 238) = ( 0.3086420 0.5345836 0.3020083), wk = 0.0029412 k( 239) = ( 0.3024691 0.5238919 0.3020083), wk = 0.0029412 k( 240) = ( 0.2962963 0.5132002 0.3020083), wk = 0.0029412 k( 241) = ( 0.2901235 0.5025086 0.3020083), wk = 0.0029412 k( 242) = ( 0.2839506 0.4918169 0.3020083), wk = 0.0029412 k( 243) = ( 0.2777778 0.4811252 0.3020083), wk = 0.0029412 k( 244) = ( 0.2716049 0.4704336 0.3020083), wk = 0.0029412 k( 245) = ( 0.2654321 0.4597419 0.3020083), wk = 0.0029412 k( 246) = ( 0.2592593 0.4490502 0.3020083), wk = 0.0029412 k( 247) = ( 0.2530864 0.4383585 0.3020083), wk = 0.0029412 k( 248) = ( 0.2469136 0.4276669 0.3020083), wk = 0.0029412 k( 249) = ( 0.2407407 0.4169752 0.3020083), wk = 0.0029412 k( 250) = ( 0.2345679 0.4062835 0.3020083), wk = 0.0029412 k( 251) = ( 0.2283951 0.3955918 0.3020083), wk = 0.0029412 k( 252) = ( 0.2222222 0.3849002 0.3020083), wk = 0.0029412 k( 253) = ( 0.2160494 0.3742085 0.3020083), wk = 0.0029412 k( 254) = ( 0.2098765 0.3635168 0.3020083), wk = 0.0029412 k( 255) = ( 0.2037037 0.3528252 0.3020083), wk = 0.0029412 k( 256) = ( 0.1975309 0.3421335 0.3020083), wk = 0.0029412 k( 257) = ( 0.1913580 0.3314418 0.3020083), wk = 0.0029412 k( 258) = ( 0.1851852 0.3207502 0.3020083), wk = 0.0029412 k( 259) = ( 0.1790123 0.3100585 0.3020083), wk = 0.0029412 k( 260) = ( 0.1728395 0.2993668 0.3020083), wk = 0.0029412 k( 261) = ( 0.1666667 0.2886751 0.3020083), wk = 0.0029412 k( 262) = ( 0.1604938 0.2779835 0.3020083), wk = 0.0029412 k( 263) = ( 0.1543210 0.2672918 0.3020083), wk = 0.0029412 k( 264) = ( 0.1481482 0.2566001 0.3020083), wk = 0.0029412 k( 265) = ( 0.1419753 0.2459085 0.3020083), wk = 0.0029412 k( 266) = ( 0.1358025 0.2352168 0.3020083), wk = 0.0029412 k( 267) = ( 0.1296296 0.2245251 0.3020083), wk = 0.0029412 k( 268) = ( 0.1234568 0.2138334 0.3020083), wk = 0.0029412 k( 269) = ( 0.1172839 0.2031418 0.3020083), wk = 0.0029412 k( 270) = ( 0.1111111 0.1924501 0.3020083), wk = 0.0029412 k( 271) = ( 0.1049383 0.1817584 0.3020083), wk = 0.0029412 k( 272) = ( 0.0987654 0.1710667 0.3020083), wk = 0.0029412 k( 273) = ( 0.0925926 0.1603751 0.3020083), wk = 0.0029412 k( 274) = ( 0.0864198 0.1496834 0.3020083), wk = 0.0029412 k( 275) = ( 0.0802469 0.1389917 0.3020083), wk = 0.0029412 k( 276) = ( 0.0740741 0.1283001 0.3020083), wk = 0.0029412 k( 277) = ( 0.0679012 0.1176084 0.3020083), wk = 0.0029412 k( 278) = ( 0.0617284 0.1069167 0.3020083), wk = 0.0029412 k( 279) = ( 0.0555556 0.0962251 0.3020083), wk = 0.0029412 k( 280) = ( 0.0493827 0.0855334 0.3020083), wk = 0.0029412 k( 281) = ( 0.0432099 0.0748417 0.3020083), wk = 0.0029412 k( 282) = ( 0.0370370 0.0641500 0.3020083), wk = 0.0029412 k( 283) = ( 0.0308642 0.0534584 0.3020083), wk = 0.0029412 k( 284) = ( 0.0246914 0.0427667 0.3020083), wk = 0.0029412 k( 285) = ( 0.0185185 0.0320750 0.3020083), wk = 0.0029412 k( 286) = ( 0.0123457 0.0213833 0.3020083), wk = 0.0029412 k( 287) = ( 0.0061728 0.0106917 0.3020083), wk = 0.0029412 k( 288) = ( 0.0000000 0.0000000 0.3020083), wk = 0.0029412 k( 289) = ( 0.5000000 0.2886751 0.3020083), wk = 0.0029412 k( 290) = ( 0.5000000 0.2886751 0.2899279), wk = 0.0029412 k( 291) = ( 0.5000000 0.2886751 0.2778476), wk = 0.0029412 k( 292) = ( 0.5000000 0.2886751 0.2657673), wk = 0.0029412 k( 293) = ( 0.5000000 0.2886751 0.2536870), wk = 0.0029412 k( 294) = ( 0.5000000 0.2886751 0.2416066), wk = 0.0029412 k( 295) = ( 0.5000000 0.2886751 0.2295263), wk = 0.0029412 k( 296) = ( 0.5000000 0.2886751 0.2174460), wk = 0.0029412 k( 297) = ( 0.5000000 0.2886751 0.2053656), wk = 0.0029412 k( 298) = ( 0.5000000 0.2886751 0.1932853), wk = 0.0029412 k( 299) = ( 0.5000000 0.2886751 0.1812050), wk = 0.0029412 k( 300) = ( 0.5000000 0.2886751 0.1691246), wk = 0.0029412 k( 301) = ( 0.5000000 0.2886751 0.1570443), wk = 0.0029412 k( 302) = ( 0.5000000 0.2886751 0.1449640), wk = 0.0029412 k( 303) = ( 0.5000000 0.2886751 0.1328836), wk = 0.0029412 k( 304) = ( 0.5000000 0.2886751 0.1208033), wk = 0.0029412 k( 305) = ( 0.5000000 0.2886751 0.1087230), wk = 0.0029412 k( 306) = ( 0.5000000 0.2886751 0.0966426), wk = 0.0029412 k( 307) = ( 0.5000000 0.2886751 0.0845623), wk = 0.0029412 k( 308) = ( 0.5000000 0.2886751 0.0724820), wk = 0.0029412 k( 309) = ( 0.5000000 0.2886751 0.0604017), wk = 0.0029412 k( 310) = ( 0.5000000 0.2886751 0.0483213), wk = 0.0029412 k( 311) = ( 0.5000000 0.2886751 0.0362410), wk = 0.0029412 k( 312) = ( 0.5000000 0.2886751 0.0241607), wk = 0.0029412 k( 313) = ( 0.5000000 0.2886751 0.0120803), wk = 0.0029412 k( 314) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029412 k( 315) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029412 k( 316) = ( 0.3333333 0.5773503 0.0120803), wk = 0.0029412 k( 317) = ( 0.3333333 0.5773503 0.0241607), wk = 0.0029412 k( 318) = ( 0.3333333 0.5773503 0.0362410), wk = 0.0029412 k( 319) = ( 0.3333333 0.5773503 0.0483213), wk = 0.0029412 k( 320) = ( 0.3333333 0.5773503 0.0604017), wk = 0.0029412 k( 321) = ( 0.3333333 0.5773503 0.0724820), wk = 0.0029412 k( 322) = ( 0.3333333 0.5773503 0.0845623), wk = 0.0029412 k( 323) = ( 0.3333333 0.5773503 0.0966426), wk = 0.0029412 k( 324) = ( 0.3333333 0.5773503 0.1087230), wk = 0.0029412 k( 325) = ( 0.3333333 0.5773503 0.1208033), wk = 0.0029412 k( 326) = ( 0.3333333 0.5773503 0.1328836), wk = 0.0029412 k( 327) = ( 0.3333333 0.5773503 0.1449640), wk = 0.0029412 k( 328) = ( 0.3333333 0.5773503 0.1570443), wk = 0.0029412 k( 329) = ( 0.3333333 0.5773503 0.1691246), wk = 0.0029412 k( 330) = ( 0.3333333 0.5773503 0.1812050), wk = 0.0029412 k( 331) = ( 0.3333333 0.5773503 0.1932853), wk = 0.0029412 k( 332) = ( 0.3333333 0.5773503 0.2053656), wk = 0.0029412 k( 333) = ( 0.3333333 0.5773503 0.2174460), wk = 0.0029412 k( 334) = ( 0.3333333 0.5773503 0.2295263), wk = 0.0029412 k( 335) = ( 0.3333333 0.5773503 0.2416066), wk = 0.0029412 k( 336) = ( 0.3333333 0.5773503 0.2536870), wk = 0.0029412 k( 337) = ( 0.3333333 0.5773503 0.2657673), wk = 0.0029412 k( 338) = ( 0.3333333 0.5773503 0.2778476), wk = 0.0029412 k( 339) = ( 0.3333333 0.5773503 0.2899279), wk = 0.0029412 k( 340) = ( 0.3333333 0.5773503 0.3020083), wk = 0.0029412 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0106383 -0.0000000 0.0000000), wk = 0.0029412 k( 3) = ( 0.0212766 -0.0000000 0.0000000), wk = 0.0029412 k( 4) = ( 0.0319149 0.0000000 0.0000000), wk = 0.0029412 k( 5) = ( 0.0425532 -0.0000000 -0.0000000), wk = 0.0029412 k( 6) = ( 0.0531915 0.0000000 0.0000000), wk = 0.0029412 k( 7) = ( 0.0638298 0.0000000 -0.0000000), wk = 0.0029412 k( 8) = ( 0.0744681 -0.0000000 0.0000000), wk = 0.0029412 k( 9) = ( 0.0851064 -0.0000000 -0.0000000), wk = 0.0029412 k( 10) = ( 0.0957447 0.0000000 0.0000000), wk = 0.0029412 k( 11) = ( 0.1063830 0.0000000 0.0000000), wk = 0.0029412 k( 12) = ( 0.1170213 -0.0000000 0.0000000), wk = 0.0029412 k( 13) = ( 0.1276596 0.0000000 -0.0000000), wk = 0.0029412 k( 14) = ( 0.1382979 0.0000000 -0.0000000), wk = 0.0029412 k( 15) = ( 0.1489362 -0.0000000 -0.0000000), wk = 0.0029412 k( 16) = ( 0.1595745 0.0000000 0.0000000), wk = 0.0029412 k( 17) = ( 0.1702128 -0.0000000 -0.0000000), wk = 0.0029412 k( 18) = ( 0.1808511 -0.0000000 -0.0000000), wk = 0.0029412 k( 19) = ( 0.1914894 0.0000000 0.0000000), wk = 0.0029412 k( 20) = ( 0.2021277 -0.0000000 0.0000000), wk = 0.0029412 k( 21) = ( 0.2127660 0.0000000 0.0000000), wk = 0.0029412 k( 22) = ( 0.2234043 0.0000000 -0.0000000), wk = 0.0029412 k( 23) = ( 0.2340425 0.0000000 -0.0000000), wk = 0.0029412 k( 24) = ( 0.2446809 -0.0000000 0.0000000), wk = 0.0029412 k( 25) = ( 0.2553191 0.0000000 0.0000000), wk = 0.0029412 k( 26) = ( 0.2659574 0.0000000 0.0000000), wk = 0.0029412 k( 27) = ( 0.2765957 0.0000000 -0.0000000), wk = 0.0029412 k( 28) = ( 0.2872340 0.0000000 0.0000000), wk = 0.0029412 k( 29) = ( 0.2978723 -0.0000000 -0.0000000), wk = 0.0029412 k( 30) = ( 0.3085106 0.0000000 -0.0000000), wk = 0.0029412 k( 31) = ( 0.3191489 0.0000000 0.0000000), wk = 0.0029412 k( 32) = ( 0.3297872 -0.0000000 -0.0000000), wk = 0.0029412 k( 33) = ( 0.3404255 0.0000000 0.0000000), wk = 0.0029412 k( 34) = ( 0.3510638 -0.0000000 0.0000000), wk = 0.0029412 k( 35) = ( 0.3617021 -0.0000000 -0.0000000), wk = 0.0029412 k( 36) = ( 0.3723404 -0.0000000 -0.0000000), wk = 0.0029412 k( 37) = ( 0.3829787 0.0000000 0.0000000), wk = 0.0029412 k( 38) = ( 0.3936170 0.0000000 -0.0000000), wk = 0.0029412 k( 39) = ( 0.4042553 -0.0000000 0.0000000), wk = 0.0029412 k( 40) = ( 0.4148936 0.0000000 0.0000000), wk = 0.0029412 k( 41) = ( 0.4255319 -0.0000000 -0.0000000), wk = 0.0029412 k( 42) = ( 0.4361702 0.0000000 0.0000000), wk = 0.0029412 k( 43) = ( 0.4468085 -0.0000000 -0.0000000), wk = 0.0029412 k( 44) = ( 0.4574468 -0.0000000 -0.0000000), wk = 0.0029412 k( 45) = ( 0.4680851 0.0000000 0.0000000), wk = 0.0029412 k( 46) = ( 0.4787234 -0.0000000 0.0000000), wk = 0.0029412 k( 47) = ( 0.4893617 -0.0000000 0.0000000), wk = 0.0029412 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029412 k( 49) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029412 k( 50) = ( 0.4938272 0.0123457 -0.0000000), wk = 0.0029412 k( 51) = ( 0.4876543 0.0246914 -0.0000000), wk = 0.0029412 k( 52) = ( 0.4814815 0.0370370 -0.0000000), wk = 0.0029412 k( 53) = ( 0.4753086 0.0493827 0.0000000), wk = 0.0029412 k( 54) = ( 0.4691358 0.0617284 0.0000000), wk = 0.0029412 k( 55) = ( 0.4629630 0.0740741 -0.0000000), wk = 0.0029412 k( 56) = ( 0.4567901 0.0864197 0.0000000), wk = 0.0029412 k( 57) = ( 0.4506173 0.0987654 0.0000000), wk = 0.0029412 k( 58) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0029412 k( 59) = ( 0.4382716 0.1234568 0.0000000), wk = 0.0029412 k( 60) = ( 0.4320988 0.1358025 0.0000000), wk = 0.0029412 k( 61) = ( 0.4259259 0.1481481 -0.0000000), wk = 0.0029412 k( 62) = ( 0.4197531 0.1604938 0.0000000), wk = 0.0029412 k( 63) = ( 0.4135802 0.1728395 -0.0000000), wk = 0.0029412 k( 64) = ( 0.4074074 0.1851852 0.0000000), wk = 0.0029412 k( 65) = ( 0.4012346 0.1975309 -0.0000000), wk = 0.0029412 k( 66) = ( 0.3950617 0.2098765 -0.0000000), wk = 0.0029412 k( 67) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0029412 k( 68) = ( 0.3827160 0.2345679 0.0000000), wk = 0.0029412 k( 69) = ( 0.3765432 0.2469136 -0.0000000), wk = 0.0029412 k( 70) = ( 0.3703704 0.2592593 -0.0000000), wk = 0.0029412 k( 71) = ( 0.3641975 0.2716049 0.0000000), wk = 0.0029412 k( 72) = ( 0.3580247 0.2839506 -0.0000000), wk = 0.0029412 k( 73) = ( 0.3518519 0.2962963 0.0000000), wk = 0.0029412 k( 74) = ( 0.3456790 0.3086420 0.0000000), wk = 0.0029412 k( 75) = ( 0.3395062 0.3209877 -0.0000000), wk = 0.0029412 k( 76) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029412 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029412 k( 78) = ( 0.3271605 0.3271605 0.0000000), wk = 0.0029412 k( 79) = ( 0.3209877 0.3209877 -0.0000000), wk = 0.0029412 k( 80) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0029412 k( 81) = ( 0.3086420 0.3086420 -0.0000000), wk = 0.0029412 k( 82) = ( 0.3024691 0.3024691 -0.0000000), wk = 0.0029412 k( 83) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0029412 k( 84) = ( 0.2901235 0.2901235 -0.0000000), wk = 0.0029412 k( 85) = ( 0.2839506 0.2839506 -0.0000000), wk = 0.0029412 k( 86) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0029412 k( 87) = ( 0.2716049 0.2716049 -0.0000000), wk = 0.0029412 k( 88) = ( 0.2654321 0.2654321 0.0000000), wk = 0.0029412 k( 89) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0029412 k( 90) = ( 0.2530864 0.2530864 0.0000000), wk = 0.0029412 k( 91) = ( 0.2469136 0.2469136 -0.0000000), wk = 0.0029412 k( 92) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0029412 k( 93) = ( 0.2345679 0.2345679 0.0000000), wk = 0.0029412 k( 94) = ( 0.2283951 0.2283951 0.0000000), wk = 0.0029412 k( 95) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0029412 k( 96) = ( 0.2160494 0.2160494 -0.0000000), wk = 0.0029412 k( 97) = ( 0.2098765 0.2098765 -0.0000000), wk = 0.0029412 k( 98) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0029412 k( 99) = ( 0.1975309 0.1975309 0.0000000), wk = 0.0029412 k( 100) = ( 0.1913580 0.1913580 -0.0000000), wk = 0.0029412 k( 101) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0029412 k( 102) = ( 0.1790123 0.1790123 -0.0000000), wk = 0.0029412 k( 103) = ( 0.1728395 0.1728395 0.0000000), wk = 0.0029412 k( 104) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0029412 k( 105) = ( 0.1604938 0.1604938 -0.0000000), wk = 0.0029412 k( 106) = ( 0.1543210 0.1543210 -0.0000000), wk = 0.0029412 k( 107) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0029412 k( 108) = ( 0.1419753 0.1419753 -0.0000000), wk = 0.0029412 k( 109) = ( 0.1358025 0.1358025 -0.0000000), wk = 0.0029412 k( 110) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0029412 k( 111) = ( 0.1234568 0.1234568 -0.0000000), wk = 0.0029412 k( 112) = ( 0.1172839 0.1172839 0.0000000), wk = 0.0029412 k( 113) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0029412 k( 114) = ( 0.1049383 0.1049383 -0.0000000), wk = 0.0029412 k( 115) = ( 0.0987654 0.0987654 0.0000000), wk = 0.0029412 k( 116) = ( 0.0925926 0.0925926 0.0000000), wk = 0.0029412 k( 117) = ( 0.0864198 0.0864198 -0.0000000), wk = 0.0029412 k( 118) = ( 0.0802469 0.0802469 -0.0000000), wk = 0.0029412 k( 119) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0029412 k( 120) = ( 0.0679012 0.0679012 -0.0000000), wk = 0.0029412 k( 121) = ( 0.0617284 0.0617284 0.0000000), wk = 0.0029412 k( 122) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0029412 k( 123) = ( 0.0493827 0.0493827 0.0000000), wk = 0.0029412 k( 124) = ( 0.0432099 0.0432099 -0.0000000), wk = 0.0029412 k( 125) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0029412 k( 126) = ( 0.0308642 0.0308642 0.0000000), wk = 0.0029412 k( 127) = ( 0.0246914 0.0246914 0.0000000), wk = 0.0029412 k( 128) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0029412 k( 129) = ( 0.0123457 0.0123457 0.0000000), wk = 0.0029412 k( 130) = ( 0.0061728 0.0061728 0.0000000), wk = 0.0029412 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 133) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0029412 k( 134) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0029412 k( 135) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0029412 k( 136) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0029412 k( 137) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0029412 k( 138) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0029412 k( 139) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0029412 k( 140) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0029412 k( 141) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0029412 k( 142) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0029412 k( 143) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0029412 k( 144) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0029412 k( 145) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0029412 k( 146) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0029412 k( 147) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0029412 k( 148) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0029412 k( 149) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0029412 k( 150) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0029412 k( 151) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0029412 k( 152) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0029412 k( 153) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0029412 k( 154) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0029412 k( 155) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0029412 k( 156) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0029412 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 159) = ( 0.0106383 -0.0000000 0.5000000), wk = 0.0029412 k( 160) = ( 0.0212766 -0.0000000 0.5000000), wk = 0.0029412 k( 161) = ( 0.0319149 0.0000000 0.5000000), wk = 0.0029412 k( 162) = ( 0.0425532 -0.0000000 0.5000000), wk = 0.0029412 k( 163) = ( 0.0531915 0.0000000 0.5000000), wk = 0.0029412 k( 164) = ( 0.0638298 0.0000000 0.5000000), wk = 0.0029412 k( 165) = ( 0.0744681 -0.0000000 0.5000000), wk = 0.0029412 k( 166) = ( 0.0851064 -0.0000000 0.5000000), wk = 0.0029412 k( 167) = ( 0.0957447 0.0000000 0.5000000), wk = 0.0029412 k( 168) = ( 0.1063830 0.0000000 0.5000000), wk = 0.0029412 k( 169) = ( 0.1170213 -0.0000000 0.5000000), wk = 0.0029412 k( 170) = ( 0.1276596 0.0000000 0.5000000), wk = 0.0029412 k( 171) = ( 0.1382979 0.0000000 0.5000000), wk = 0.0029412 k( 172) = ( 0.1489362 -0.0000000 0.5000000), wk = 0.0029412 k( 173) = ( 0.1595745 0.0000000 0.5000000), wk = 0.0029412 k( 174) = ( 0.1702128 -0.0000000 0.5000000), wk = 0.0029412 k( 175) = ( 0.1808511 -0.0000000 0.5000000), wk = 0.0029412 k( 176) = ( 0.1914894 0.0000000 0.5000000), wk = 0.0029412 k( 177) = ( 0.2021277 -0.0000000 0.5000000), wk = 0.0029412 k( 178) = ( 0.2127660 0.0000000 0.5000000), wk = 0.0029412 k( 179) = ( 0.2234043 0.0000000 0.5000000), wk = 0.0029412 k( 180) = ( 0.2340425 0.0000000 0.5000000), wk = 0.0029412 k( 181) = ( 0.2446809 -0.0000000 0.5000000), wk = 0.0029412 k( 182) = ( 0.2553191 0.0000000 0.5000000), wk = 0.0029412 k( 183) = ( 0.2659574 0.0000000 0.5000000), wk = 0.0029412 k( 184) = ( 0.2765957 0.0000000 0.5000000), wk = 0.0029412 k( 185) = ( 0.2872340 0.0000000 0.5000000), wk = 0.0029412 k( 186) = ( 0.2978723 -0.0000000 0.5000000), wk = 0.0029412 k( 187) = ( 0.3085106 0.0000000 0.5000000), wk = 0.0029412 k( 188) = ( 0.3191489 0.0000000 0.5000000), wk = 0.0029412 k( 189) = ( 0.3297872 -0.0000000 0.5000000), wk = 0.0029412 k( 190) = ( 0.3404255 0.0000000 0.5000000), wk = 0.0029412 k( 191) = ( 0.3510638 -0.0000000 0.5000000), wk = 0.0029412 k( 192) = ( 0.3617021 -0.0000000 0.5000000), wk = 0.0029412 k( 193) = ( 0.3723404 -0.0000000 0.5000000), wk = 0.0029412 k( 194) = ( 0.3829787 0.0000000 0.5000000), wk = 0.0029412 k( 195) = ( 0.3936170 0.0000000 0.5000000), wk = 0.0029412 k( 196) = ( 0.4042553 -0.0000000 0.5000000), wk = 0.0029412 k( 197) = ( 0.4148936 0.0000000 0.5000000), wk = 0.0029412 k( 198) = ( 0.4255319 -0.0000000 0.5000000), wk = 0.0029412 k( 199) = ( 0.4361702 0.0000000 0.5000000), wk = 0.0029412 k( 200) = ( 0.4468085 -0.0000000 0.5000000), wk = 0.0029412 k( 201) = ( 0.4574468 -0.0000000 0.5000000), wk = 0.0029412 k( 202) = ( 0.4680851 0.0000000 0.5000000), wk = 0.0029412 k( 203) = ( 0.4787234 -0.0000000 0.5000000), wk = 0.0029412 k( 204) = ( 0.4893617 -0.0000000 0.5000000), wk = 0.0029412 k( 205) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029412 k( 206) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029412 k( 207) = ( 0.4938272 0.0123457 0.5000000), wk = 0.0029412 k( 208) = ( 0.4876543 0.0246914 0.5000000), wk = 0.0029412 k( 209) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0029412 k( 210) = ( 0.4753086 0.0493827 0.5000000), wk = 0.0029412 k( 211) = ( 0.4691358 0.0617284 0.5000000), wk = 0.0029412 k( 212) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0029412 k( 213) = ( 0.4567901 0.0864197 0.5000000), wk = 0.0029412 k( 214) = ( 0.4506173 0.0987654 0.5000000), wk = 0.0029412 k( 215) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0029412 k( 216) = ( 0.4382716 0.1234568 0.5000000), wk = 0.0029412 k( 217) = ( 0.4320988 0.1358025 0.5000000), wk = 0.0029412 k( 218) = ( 0.4259259 0.1481481 0.5000000), wk = 0.0029412 k( 219) = ( 0.4197531 0.1604938 0.5000000), wk = 0.0029412 k( 220) = ( 0.4135802 0.1728395 0.5000000), wk = 0.0029412 k( 221) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0029412 k( 222) = ( 0.4012346 0.1975309 0.5000000), wk = 0.0029412 k( 223) = ( 0.3950617 0.2098765 0.5000000), wk = 0.0029412 k( 224) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0029412 k( 225) = ( 0.3827160 0.2345679 0.5000000), wk = 0.0029412 k( 226) = ( 0.3765432 0.2469136 0.5000000), wk = 0.0029412 k( 227) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0029412 k( 228) = ( 0.3641975 0.2716049 0.5000000), wk = 0.0029412 k( 229) = ( 0.3580247 0.2839506 0.5000000), wk = 0.0029412 k( 230) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0029412 k( 231) = ( 0.3456790 0.3086420 0.5000000), wk = 0.0029412 k( 232) = ( 0.3395062 0.3209877 0.5000000), wk = 0.0029412 k( 233) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029412 k( 234) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029412 k( 235) = ( 0.3271605 0.3271605 0.5000000), wk = 0.0029412 k( 236) = ( 0.3209877 0.3209877 0.5000000), wk = 0.0029412 k( 237) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0029412 k( 238) = ( 0.3086420 0.3086420 0.5000000), wk = 0.0029412 k( 239) = ( 0.3024691 0.3024691 0.5000000), wk = 0.0029412 k( 240) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0029412 k( 241) = ( 0.2901235 0.2901235 0.5000000), wk = 0.0029412 k( 242) = ( 0.2839506 0.2839506 0.5000000), wk = 0.0029412 k( 243) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0029412 k( 244) = ( 0.2716049 0.2716049 0.5000000), wk = 0.0029412 k( 245) = ( 0.2654321 0.2654321 0.5000000), wk = 0.0029412 k( 246) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0029412 k( 247) = ( 0.2530864 0.2530864 0.5000000), wk = 0.0029412 k( 248) = ( 0.2469136 0.2469136 0.5000000), wk = 0.0029412 k( 249) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0029412 k( 250) = ( 0.2345679 0.2345679 0.5000000), wk = 0.0029412 k( 251) = ( 0.2283951 0.2283951 0.5000000), wk = 0.0029412 k( 252) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0029412 k( 253) = ( 0.2160494 0.2160494 0.5000000), wk = 0.0029412 k( 254) = ( 0.2098765 0.2098765 0.5000000), wk = 0.0029412 k( 255) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0029412 k( 256) = ( 0.1975309 0.1975309 0.5000000), wk = 0.0029412 k( 257) = ( 0.1913580 0.1913580 0.5000000), wk = 0.0029412 k( 258) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0029412 k( 259) = ( 0.1790123 0.1790123 0.5000000), wk = 0.0029412 k( 260) = ( 0.1728395 0.1728395 0.5000000), wk = 0.0029412 k( 261) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0029412 k( 262) = ( 0.1604938 0.1604938 0.5000000), wk = 0.0029412 k( 263) = ( 0.1543210 0.1543210 0.5000000), wk = 0.0029412 k( 264) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0029412 k( 265) = ( 0.1419753 0.1419753 0.5000000), wk = 0.0029412 k( 266) = ( 0.1358025 0.1358025 0.5000000), wk = 0.0029412 k( 267) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0029412 k( 268) = ( 0.1234568 0.1234568 0.5000000), wk = 0.0029412 k( 269) = ( 0.1172839 0.1172839 0.5000000), wk = 0.0029412 k( 270) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0029412 k( 271) = ( 0.1049383 0.1049383 0.5000000), wk = 0.0029412 k( 272) = ( 0.0987654 0.0987654 0.5000000), wk = 0.0029412 k( 273) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0029412 k( 274) = ( 0.0864198 0.0864198 0.5000000), wk = 0.0029412 k( 275) = ( 0.0802469 0.0802469 0.5000000), wk = 0.0029412 k( 276) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0029412 k( 277) = ( 0.0679012 0.0679012 0.5000000), wk = 0.0029412 k( 278) = ( 0.0617284 0.0617284 0.5000000), wk = 0.0029412 k( 279) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0029412 k( 280) = ( 0.0493827 0.0493827 0.5000000), wk = 0.0029412 k( 281) = ( 0.0432099 0.0432099 0.5000000), wk = 0.0029412 k( 282) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0029412 k( 283) = ( 0.0308642 0.0308642 0.5000000), wk = 0.0029412 k( 284) = ( 0.0246914 0.0246914 0.5000000), wk = 0.0029412 k( 285) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0029412 k( 286) = ( 0.0123457 0.0123457 0.5000000), wk = 0.0029412 k( 287) = ( 0.0061728 0.0061728 0.5000000), wk = 0.0029412 k( 288) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 289) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029412 k( 290) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0029412 k( 291) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0029412 k( 292) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0029412 k( 293) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0029412 k( 294) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0029412 k( 295) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0029412 k( 296) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0029412 k( 297) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0029412 k( 298) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0029412 k( 299) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0029412 k( 300) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0029412 k( 301) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0029412 k( 302) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0029412 k( 303) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0029412 k( 304) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0029412 k( 305) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0029412 k( 306) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0029412 k( 307) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0029412 k( 308) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0029412 k( 309) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0029412 k( 310) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0029412 k( 311) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0029412 k( 312) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0029412 k( 313) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0029412 k( 314) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029412 k( 315) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029412 k( 316) = ( 0.3333333 0.3333333 0.0200000), wk = 0.0029412 k( 317) = ( 0.3333333 0.3333333 0.0400000), wk = 0.0029412 k( 318) = ( 0.3333333 0.3333333 0.0600000), wk = 0.0029412 k( 319) = ( 0.3333333 0.3333333 0.0800000), wk = 0.0029412 k( 320) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0029412 k( 321) = ( 0.3333333 0.3333333 0.1200000), wk = 0.0029412 k( 322) = ( 0.3333333 0.3333333 0.1400000), wk = 0.0029412 k( 323) = ( 0.3333333 0.3333333 0.1600000), wk = 0.0029412 k( 324) = ( 0.3333333 0.3333333 0.1800000), wk = 0.0029412 k( 325) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0029412 k( 326) = ( 0.3333333 0.3333333 0.2200000), wk = 0.0029412 k( 327) = ( 0.3333333 0.3333333 0.2400000), wk = 0.0029412 k( 328) = ( 0.3333333 0.3333333 0.2600000), wk = 0.0029412 k( 329) = ( 0.3333333 0.3333333 0.2800000), wk = 0.0029412 k( 330) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0029412 k( 331) = ( 0.3333333 0.3333333 0.3200000), wk = 0.0029412 k( 332) = ( 0.3333333 0.3333333 0.3400000), wk = 0.0029412 k( 333) = ( 0.3333333 0.3333333 0.3600000), wk = 0.0029412 k( 334) = ( 0.3333333 0.3333333 0.3800000), wk = 0.0029412 k( 335) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0029412 k( 336) = ( 0.3333333 0.3333333 0.4200000), wk = 0.0029412 k( 337) = ( 0.3333333 0.3333333 0.4400000), wk = 0.0029412 k( 338) = ( 0.3333333 0.3333333 0.4600000), wk = 0.0029412 k( 339) = ( 0.3333333 0.3333333 0.4800000), wk = 0.0029412 k( 340) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029412 Dense grid: 45263 G-vectors FFT dimensions: ( 40, 40, 72) Smooth grid: 24923 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 190, 52) NL pseudopotentials 0.25 Mb ( 95, 170) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1261) G-vector shells 0.00 Mb ( 632) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.60 Mb ( 190, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.27 Mb ( 170, 2, 52) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./CaxCuSx2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5.3 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 6.6 secs Computing kpt #: 4 total cpu time spent up to now is 7.8 secs Computing kpt #: 5 total cpu time spent up to now is 9.1 secs Computing kpt #: 6 total cpu time spent up to now is 10.2 secs Computing kpt #: 7 total cpu time spent up to now is 11.1 secs Computing kpt #: 8 total cpu time spent up to now is 12.0 secs Computing kpt #: 9 total cpu time spent up to now is 12.9 secs Computing kpt #: 10 total cpu time spent up to now is 13.8 secs Computing kpt #: 11 total cpu time spent up to now is 14.7 secs Computing kpt #: 12 total cpu time spent up to now is 15.4 secs Computing kpt #: 13 total cpu time spent up to now is 16.3 secs Computing kpt #: 14 total cpu time spent up to now is 17.3 secs Computing kpt #: 15 total cpu time spent up to now is 18.0 secs Computing kpt #: 16 total cpu time spent up to now is 18.8 secs Computing kpt #: 17 total cpu time spent up to now is 19.6 secs Computing kpt #: 18 total cpu time spent up to now is 20.2 secs Computing kpt #: 19 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 21.6 secs Computing kpt #: 20 total cpu time spent up to now is 22.2 secs Computing kpt #: 21 total cpu time spent up to now is 23.4 secs Computing kpt #: 22 total cpu time spent up to now is 24.4 secs Computing kpt #: 23 total cpu time spent up to now is 25.3 secs Computing kpt #: 24 total cpu time spent up to now is 25.9 secs Computing kpt #: 25 total cpu time spent up to now is 26.7 secs Computing kpt #: 26 total cpu time spent up to now is 27.4 secs Computing kpt #: 27 total cpu time spent up to now is 28.1 secs Computing kpt #: 28 total cpu time spent up to now is 28.9 secs Computing kpt #: 29 total cpu time spent up to now is 29.6 secs Computing kpt #: 30 total cpu time spent up to now is 30.3 secs Computing kpt #: 31 total cpu time spent up to now is 31.1 secs Computing kpt #: 32 total cpu time spent up to now is 32.0 secs Computing kpt #: 33 total cpu time spent up to now is 33.0 secs Computing kpt #: 34 total cpu time spent up to now is 33.9 secs Computing kpt #: 35 total cpu time spent up to now is 34.8 secs Computing kpt #: 36 total cpu time spent up to now is 35.8 secs Computing kpt #: 37 total cpu time spent up to now is 36.9 secs Computing kpt #: 38 total cpu time spent up to now is 38.1 secs Computing kpt #: 39 total cpu time spent up to now is 39.3 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 40.6 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 42.0 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 43.3 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 44.7 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 46.1 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 47.5 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 48.8 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 50.2 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 51.5 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.9 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 54.2 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 55.6 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 56.9 secs Computing kpt #: 53 total cpu time spent up to now is 58.2 secs Computing kpt #: 54 total cpu time spent up to now is 59.2 secs Computing kpt #: 55 total cpu time spent up to now is 60.3 secs Computing kpt #: 56 total cpu time spent up to now is 61.3 secs Computing kpt #: 57 total cpu time spent up to now is 62.4 secs Computing kpt #: 58 total cpu time spent up to now is 63.3 secs Computing kpt #: 59 total cpu time spent up to now is 64.0 secs Computing kpt #: 60 total cpu time spent up to now is 64.9 secs Computing kpt #: 61 total cpu time spent up to now is 65.6 secs Computing kpt #: 62 total cpu time spent up to now is 66.3 secs Computing kpt #: 63 total cpu time spent up to now is 67.0 secs Computing kpt #: 64 total cpu time spent up to now is 67.7 secs Computing kpt #: 65 total cpu time spent up to now is 68.4 secs Computing kpt #: 66 total cpu time spent up to now is 69.1 secs Computing kpt #: 67 total cpu time spent up to now is 69.8 secs Computing kpt #: 68 total cpu time spent up to now is 70.4 secs Computing kpt #: 69 total cpu time spent up to now is 71.1 secs Computing kpt #: 70 total cpu time spent up to now is 71.6 secs Computing kpt #: 71 total cpu time spent up to now is 72.1 secs Computing kpt #: 72 total cpu time spent up to now is 72.7 secs Computing kpt #: 73 total cpu time spent up to now is 73.2 secs Computing kpt #: 74 total cpu time spent up to now is 73.9 secs Computing kpt #: 75 total cpu time spent up to now is 74.6 secs Computing kpt #: 76 total cpu time spent up to now is 75.1 secs Computing kpt #: 77 total cpu time spent up to now is 75.6 secs Computing kpt #: 78 total cpu time spent up to now is 76.3 secs Computing kpt #: 79 total cpu time spent up to now is 76.8 secs Computing kpt #: 80 total cpu time spent up to now is 77.3 secs Computing kpt #: 81 total cpu time spent up to now is 77.7 secs Computing kpt #: 82 total cpu time spent up to now is 78.2 secs Computing kpt #: 83 total cpu time spent up to now is 78.7 secs Computing kpt #: 84 total cpu time spent up to now is 79.2 secs Computing kpt #: 85 total cpu time spent up to now is 79.6 secs Computing kpt #: 86 total cpu time spent up to now is 80.0 secs Computing kpt #: 87 total cpu time spent up to now is 80.5 secs Computing kpt #: 88 total cpu time spent up to now is 81.0 secs Computing kpt #: 89 total cpu time spent up to now is 81.8 secs Computing kpt #: 90 total cpu time spent up to now is 82.4 secs Computing kpt #: 91 total cpu time spent up to now is 83.4 secs Computing kpt #: 92 total cpu time spent up to now is 84.3 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 85.6 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 87.0 secs Computing kpt #: 95 total cpu time spent up to now is 88.0 secs Computing kpt #: 96 total cpu time spent up to now is 88.9 secs Computing kpt #: 97 total cpu time spent up to now is 89.6 secs Computing kpt #: 98 total cpu time spent up to now is 90.4 secs Computing kpt #: 99 total cpu time spent up to now is 91.1 secs Computing kpt #: 100 total cpu time spent up to now is 91.8 secs Computing kpt #: 101 total cpu time spent up to now is 92.4 secs Computing kpt #: 102 total cpu time spent up to now is 93.2 secs Computing kpt #: 103 total cpu time spent up to now is 93.9 secs Computing kpt #: 104 total cpu time spent up to now is 94.7 secs Computing kpt #: 105 total cpu time spent up to now is 95.4 secs Computing kpt #: 106 total cpu time spent up to now is 96.3 secs Computing kpt #: 107 total cpu time spent up to now is 96.9 secs Computing kpt #: 108 total cpu time spent up to now is 97.7 secs Computing kpt #: 109 total cpu time spent up to now is 98.6 secs Computing kpt #: 110 total cpu time spent up to now is 99.7 secs Computing kpt #: 111 total cpu time spent up to now is 100.8 secs Computing kpt #: 112 total cpu time spent up to now is 101.9 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 103.3 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 104.7 secs Computing kpt #: 115 total cpu time spent up to now is 105.3 secs Computing kpt #: 116 total cpu time spent up to now is 105.9 secs Computing kpt #: 117 total cpu time spent up to now is 106.4 secs Computing kpt #: 118 total cpu time spent up to now is 107.0 secs Computing kpt #: 119 total cpu time spent up to now is 107.7 secs Computing kpt #: 120 total cpu time spent up to now is 108.3 secs Computing kpt #: 121 total cpu time spent up to now is 108.9 secs Computing kpt #: 122 total cpu time spent up to now is 109.9 secs Computing kpt #: 123 total cpu time spent up to now is 110.9 secs Computing kpt #: 124 total cpu time spent up to now is 111.8 secs Computing kpt #: 125 total cpu time spent up to now is 112.8 secs Computing kpt #: 126 total cpu time spent up to now is 113.9 secs Computing kpt #: 127 total cpu time spent up to now is 115.2 secs Computing kpt #: 128 total cpu time spent up to now is 116.2 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 117.5 secs Computing kpt #: 130 total cpu time spent up to now is 118.2 secs Computing kpt #: 131 total cpu time spent up to now is 118.9 secs Computing kpt #: 132 total cpu time spent up to now is 119.6 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 120.9 secs Computing kpt #: 134 total cpu time spent up to now is 121.9 secs Computing kpt #: 135 total cpu time spent up to now is 122.6 secs Computing kpt #: 136 total cpu time spent up to now is 123.8 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 125.1 secs Computing kpt #: 138 total cpu time spent up to now is 125.9 secs Computing kpt #: 139 total cpu time spent up to now is 126.9 secs Computing kpt #: 140 total cpu time spent up to now is 127.7 secs Computing kpt #: 141 total cpu time spent up to now is 128.5 secs Computing kpt #: 142 total cpu time spent up to now is 129.2 secs Computing kpt #: 143 total cpu time spent up to now is 129.9 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 131.3 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 132.6 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 134.0 secs Computing kpt #: 147 total cpu time spent up to now is 134.8 secs Computing kpt #: 148 total cpu time spent up to now is 135.6 secs Computing kpt #: 149 total cpu time spent up to now is 136.4 secs Computing kpt #: 150 total cpu time spent up to now is 137.1 secs Computing kpt #: 151 total cpu time spent up to now is 137.8 secs Computing kpt #: 152 total cpu time spent up to now is 138.5 secs Computing kpt #: 153 total cpu time spent up to now is 139.2 secs Computing kpt #: 154 total cpu time spent up to now is 139.9 secs Computing kpt #: 155 total cpu time spent up to now is 140.5 secs Computing kpt #: 156 total cpu time spent up to now is 141.1 secs Computing kpt #: 157 total cpu time spent up to now is 141.7 secs Computing kpt #: 158 total cpu time spent up to now is 142.3 secs Computing kpt #: 159 total cpu time spent up to now is 142.9 secs Computing kpt #: 160 total cpu time spent up to now is 143.5 secs Computing kpt #: 161 total cpu time spent up to now is 144.2 secs Computing kpt #: 162 total cpu time spent up to now is 144.8 secs Computing kpt #: 163 total cpu time spent up to now is 145.5 secs Computing kpt #: 164 total cpu time spent up to now is 146.2 secs Computing kpt #: 165 total cpu time spent up to now is 146.9 secs Computing kpt #: 166 total cpu time spent up to now is 147.7 secs Computing kpt #: 167 total cpu time spent up to now is 148.2 secs Computing kpt #: 168 total cpu time spent up to now is 148.9 secs Computing kpt #: 169 total cpu time spent up to now is 149.5 secs Computing kpt #: 170 total cpu time spent up to now is 150.1 secs Computing kpt #: 171 total cpu time spent up to now is 151.0 secs Computing kpt #: 172 total cpu time spent up to now is 151.8 secs Computing kpt #: 173 total cpu time spent up to now is 152.8 secs Computing kpt #: 174 total cpu time spent up to now is 153.7 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 155.1 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 156.5 secs Computing kpt #: 177 total cpu time spent up to now is 157.1 secs Computing kpt #: 178 total cpu time spent up to now is 157.6 secs Computing kpt #: 179 total cpu time spent up to now is 158.1 secs Computing kpt #: 180 total cpu time spent up to now is 158.7 secs Computing kpt #: 181 total cpu time spent up to now is 159.2 secs Computing kpt #: 182 total cpu time spent up to now is 159.7 secs Computing kpt #: 183 total cpu time spent up to now is 160.2 secs Computing kpt #: 184 total cpu time spent up to now is 160.7 secs Computing kpt #: 185 total cpu time spent up to now is 161.2 secs Computing kpt #: 186 total cpu time spent up to now is 161.7 secs Computing kpt #: 187 total cpu time spent up to now is 162.2 secs Computing kpt #: 188 total cpu time spent up to now is 162.7 secs Computing kpt #: 189 total cpu time spent up to now is 163.2 secs Computing kpt #: 190 total cpu time spent up to now is 163.7 secs Computing kpt #: 191 total cpu time spent up to now is 164.1 secs Computing kpt #: 192 total cpu time spent up to now is 164.6 secs Computing kpt #: 193 total cpu time spent up to now is 165.1 secs Computing kpt #: 194 total cpu time spent up to now is 165.7 secs Computing kpt #: 195 total cpu time spent up to now is 166.2 secs Computing kpt #: 196 total cpu time spent up to now is 166.7 secs Computing kpt #: 197 total cpu time spent up to now is 167.2 secs Computing kpt #: 198 total cpu time spent up to now is 167.7 secs Computing kpt #: 199 total cpu time spent up to now is 168.3 secs Computing kpt #: 200 total cpu time spent up to now is 168.8 secs Computing kpt #: 201 total cpu time spent up to now is 169.3 secs Computing kpt #: 202 total cpu time spent up to now is 169.8 secs Computing kpt #: 203 total cpu time spent up to now is 170.3 secs Computing kpt #: 204 total cpu time spent up to now is 170.8 secs Computing kpt #: 205 total cpu time spent up to now is 171.2 secs Computing kpt #: 206 total cpu time spent up to now is 171.7 secs Computing kpt #: 207 total cpu time spent up to now is 172.3 secs Computing kpt #: 208 total cpu time spent up to now is 173.0 secs Computing kpt #: 209 total cpu time spent up to now is 173.7 secs Computing kpt #: 210 total cpu time spent up to now is 174.3 secs Computing kpt #: 211 total cpu time spent up to now is 174.8 secs Computing kpt #: 212 total cpu time spent up to now is 175.3 secs Computing kpt #: 213 total cpu time spent up to now is 175.8 secs Computing kpt #: 214 total cpu time spent up to now is 176.3 secs Computing kpt #: 215 total cpu time spent up to now is 176.8 secs Computing kpt #: 216 total cpu time spent up to now is 177.3 secs Computing kpt #: 217 total cpu time spent up to now is 177.7 secs Computing kpt #: 218 total cpu time spent up to now is 178.2 secs Computing kpt #: 219 total cpu time spent up to now is 178.7 secs Computing kpt #: 220 total cpu time spent up to now is 179.3 secs Computing kpt #: 221 total cpu time spent up to now is 179.8 secs Computing kpt #: 222 total cpu time spent up to now is 180.3 secs Computing kpt #: 223 total cpu time spent up to now is 181.0 secs Computing kpt #: 224 total cpu time spent up to now is 181.6 secs Computing kpt #: 225 total cpu time spent up to now is 182.3 secs Computing kpt #: 226 total cpu time spent up to now is 183.0 secs Computing kpt #: 227 total cpu time spent up to now is 183.8 secs Computing kpt #: 228 total cpu time spent up to now is 184.5 secs Computing kpt #: 229 total cpu time spent up to now is 185.2 secs Computing kpt #: 230 total cpu time spent up to now is 185.9 secs Computing kpt #: 231 total cpu time spent up to now is 186.6 secs Computing kpt #: 232 total cpu time spent up to now is 187.4 secs Computing kpt #: 233 total cpu time spent up to now is 188.3 secs Computing kpt #: 234 total cpu time spent up to now is 189.3 secs Computing kpt #: 235 total cpu time spent up to now is 190.0 secs Computing kpt #: 236 total cpu time spent up to now is 190.8 secs Computing kpt #: 237 total cpu time spent up to now is 191.5 secs Computing kpt #: 238 total cpu time spent up to now is 192.3 secs Computing kpt #: 239 total cpu time spent up to now is 192.9 secs Computing kpt #: 240 total cpu time spent up to now is 193.7 secs Computing kpt #: 241 total cpu time spent up to now is 194.3 secs Computing kpt #: 242 total cpu time spent up to now is 194.9 secs Computing kpt #: 243 total cpu time spent up to now is 195.5 secs Computing kpt #: 244 total cpu time spent up to now is 196.1 secs Computing kpt #: 245 total cpu time spent up to now is 196.8 secs Computing kpt #: 246 total cpu time spent up to now is 197.5 secs Computing kpt #: 247 total cpu time spent up to now is 198.1 secs Computing kpt #: 248 total cpu time spent up to now is 198.6 secs Computing kpt #: 249 total cpu time spent up to now is 199.2 secs Computing kpt #: 250 total cpu time spent up to now is 199.7 secs Computing kpt #: 251 total cpu time spent up to now is 200.2 secs Computing kpt #: 252 total cpu time spent up to now is 200.7 secs Computing kpt #: 253 total cpu time spent up to now is 201.2 secs Computing kpt #: 254 total cpu time spent up to now is 201.7 secs Computing kpt #: 255 total cpu time spent up to now is 202.2 secs Computing kpt #: 256 total cpu time spent up to now is 202.7 secs Computing kpt #: 257 total cpu time spent up to now is 203.2 secs Computing kpt #: 258 total cpu time spent up to now is 203.7 secs Computing kpt #: 259 total cpu time spent up to now is 204.2 secs Computing kpt #: 260 total cpu time spent up to now is 204.7 secs Computing kpt #: 261 total cpu time spent up to now is 205.2 secs Computing kpt #: 262 total cpu time spent up to now is 205.7 secs Computing kpt #: 263 total cpu time spent up to now is 206.2 secs Computing kpt #: 264 total cpu time spent up to now is 206.7 secs Computing kpt #: 265 total cpu time spent up to now is 207.2 secs Computing kpt #: 266 total cpu time spent up to now is 207.7 secs Computing kpt #: 267 total cpu time spent up to now is 208.3 secs Computing kpt #: 268 total cpu time spent up to now is 208.8 secs Computing kpt #: 269 total cpu time spent up to now is 209.5 secs Computing kpt #: 270 total cpu time spent up to now is 210.2 secs Computing kpt #: 271 total cpu time spent up to now is 211.1 secs Computing kpt #: 272 total cpu time spent up to now is 212.0 secs Computing kpt #: 273 total cpu time spent up to now is 213.2 secs Computing kpt #: 274 total cpu time spent up to now is 213.7 secs Computing kpt #: 275 total cpu time spent up to now is 214.3 secs Computing kpt #: 276 total cpu time spent up to now is 215.2 secs Computing kpt #: 277 total cpu time spent up to now is 216.0 secs Computing kpt #: 278 total cpu time spent up to now is 216.7 secs Computing kpt #: 279 total cpu time spent up to now is 217.2 secs Computing kpt #: 280 total cpu time spent up to now is 218.0 secs Computing kpt #: 281 total cpu time spent up to now is 218.6 secs Computing kpt #: 282 total cpu time spent up to now is 219.3 secs Computing kpt #: 283 total cpu time spent up to now is 220.0 secs Computing kpt #: 284 total cpu time spent up to now is 220.7 secs Computing kpt #: 285 total cpu time spent up to now is 221.3 secs Computing kpt #: 286 total cpu time spent up to now is 222.0 secs Computing kpt #: 287 total cpu time spent up to now is 222.6 secs Computing kpt #: 288 total cpu time spent up to now is 223.2 secs Computing kpt #: 289 total cpu time spent up to now is 223.6 secs Computing kpt #: 290 total cpu time spent up to now is 224.1 secs Computing kpt #: 291 total cpu time spent up to now is 224.5 secs Computing kpt #: 292 total cpu time spent up to now is 225.0 secs Computing kpt #: 293 total cpu time spent up to now is 225.5 secs Computing kpt #: 294 total cpu time spent up to now is 226.0 secs Computing kpt #: 295 total cpu time spent up to now is 226.6 secs Computing kpt #: 296 total cpu time spent up to now is 227.1 secs Computing kpt #: 297 total cpu time spent up to now is 227.6 secs Computing kpt #: 298 total cpu time spent up to now is 228.2 secs Computing kpt #: 299 total cpu time spent up to now is 228.7 secs Computing kpt #: 300 total cpu time spent up to now is 229.3 secs Computing kpt #: 301 total cpu time spent up to now is 229.8 secs Computing kpt #: 302 total cpu time spent up to now is 230.3 secs Computing kpt #: 303 total cpu time spent up to now is 230.9 secs Computing kpt #: 304 total cpu time spent up to now is 231.5 secs Computing kpt #: 305 total cpu time spent up to now is 232.2 secs Computing kpt #: 306 total cpu time spent up to now is 232.9 secs Computing kpt #: 307 total cpu time spent up to now is 233.5 secs Computing kpt #: 308 total cpu time spent up to now is 234.2 secs Computing kpt #: 309 total cpu time spent up to now is 235.1 secs Computing kpt #: 310 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 236.5 secs Computing kpt #: 311 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 237.8 secs Computing kpt #: 312 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 239.2 secs Computing kpt #: 313 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 240.5 secs Computing kpt #: 314 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 241.9 secs Computing kpt #: 315 total cpu time spent up to now is 242.4 secs Computing kpt #: 316 total cpu time spent up to now is 242.8 secs Computing kpt #: 317 total cpu time spent up to now is 243.3 secs Computing kpt #: 318 total cpu time spent up to now is 243.9 secs Computing kpt #: 319 total cpu time spent up to now is 244.4 secs Computing kpt #: 320 total cpu time spent up to now is 245.1 secs Computing kpt #: 321 total cpu time spent up to now is 245.6 secs Computing kpt #: 322 total cpu time spent up to now is 246.1 secs Computing kpt #: 323 total cpu time spent up to now is 246.6 secs Computing kpt #: 324 total cpu time spent up to now is 247.2 secs Computing kpt #: 325 total cpu time spent up to now is 247.7 secs Computing kpt #: 326 total cpu time spent up to now is 248.2 secs Computing kpt #: 327 total cpu time spent up to now is 249.0 secs Computing kpt #: 328 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 250.3 secs Computing kpt #: 329 total cpu time spent up to now is 251.0 secs Computing kpt #: 330 total cpu time spent up to now is 252.2 secs Computing kpt #: 331 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 253.6 secs Computing kpt #: 332 total cpu time spent up to now is 254.5 secs Computing kpt #: 333 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 255.8 secs Computing kpt #: 334 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 257.2 secs Computing kpt #: 335 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 258.5 secs Computing kpt #: 336 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 259.9 secs Computing kpt #: 337 total cpu time spent up to now is 260.8 secs Computing kpt #: 338 total cpu time spent up to now is 261.7 secs Computing kpt #: 339 total cpu time spent up to now is 262.6 secs Computing kpt #: 340 total cpu time spent up to now is 263.5 secs ethr = 2.27E-08, avg # of iterations = 51.9 total cpu time spent up to now is 263.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3075 PWs) bands (ev): -31.6279 -31.6279 -12.9216 -12.9216 -12.5697 -12.5697 -12.5011 -12.5011 -5.0007 -5.0007 -4.1042 -4.1042 2.9937 2.9937 4.8978 4.8978 4.9248 4.9248 4.9257 4.9257 4.9441 4.9441 5.0266 5.0266 6.4242 6.4242 6.5339 6.5339 7.0835 7.0835 7.2401 7.2401 7.2417 7.2417 8.2405 8.2405 8.3573 8.3573 8.7982 8.7982 8.9297 8.9297 8.9428 8.9428 10.0066 10.0066 11.1780 11.1780 11.7178 11.7178 12.1890 12.1890 k = 0.0106 0.0061-0.0000 ( 3077 PWs) bands (ev): -31.6279 -31.6279 -12.9216 -12.9216 -12.5697 -12.5697 -12.5012 -12.5012 -5.0000 -5.0000 -4.1040 -4.1040 2.9947 2.9947 4.8967 4.8967 4.9207 4.9207 4.9281 4.9281 4.9435 4.9435 5.0266 5.0266 6.4242 6.4242 6.5338 6.5338 7.0832 7.0832 7.2398 7.2398 7.2416 7.2416 8.2377 8.2377 8.3542 8.3542 8.8004 8.8004 8.9244 8.9244 8.9392 8.9392 10.0146 10.0146 11.1787 11.1787 11.7198 11.7198 12.1933 12.1934 k = 0.0213 0.0123-0.0000 ( 3069 PWs) bands (ev): -31.6279 -31.6279 -12.9217 -12.9217 -12.5698 -12.5698 -12.5015 -12.5015 -4.9977 -4.9977 -4.1035 -4.1035 2.9978 2.9978 4.8932 4.8932 4.9149 4.9149 4.9287 4.9287 4.9426 4.9426 5.0268 5.0268 6.4243 6.4243 6.5336 6.5336 7.0822 7.0822 7.2390 7.2390 7.2413 7.2413 8.2288 8.2288 8.3458 8.3458 8.8063 8.8063 8.9048 8.9048 8.9329 8.9329 10.0378 10.0378 11.1809 11.1809 11.7259 11.7259 12.2052 12.2053 k = 0.0319 0.0184-0.0000 ( 3065 PWs) bands (ev): -31.6278 -31.6278 -12.9218 -12.9218 -12.5699 -12.5699 -12.5020 -12.5020 -4.9938 -4.9938 -4.1027 -4.1027 3.0029 3.0029 4.8863 4.8863 4.9085 4.9085 4.9255 4.9255 4.9430 4.9430 5.0269 5.0269 6.4243 6.4243 6.5331 6.5331 7.0804 7.0804 7.2376 7.2376 7.2409 7.2409 8.2134 8.2134 8.3340 8.3340 8.8139 8.8139 8.8720 8.8720 8.9255 8.9255 10.0741 10.0741 11.1852 11.1852 11.7358 11.7358 12.2224 12.2225 k = 0.0426 0.0246-0.0000 ( 3068 PWs) bands (ev): -31.6277 -31.6277 -12.9220 -12.9220 -12.5700 -12.5700 -12.5028 -12.5028 -4.9885 -4.9885 -4.1016 -4.1016 3.0101 3.0101 4.8749 4.8749 4.9015 4.9015 4.9190 4.9190 4.9454 4.9454 5.0269 5.0269 6.4244 6.4244 6.5325 6.5325 7.0778 7.0778 7.2354 7.2354 7.2403 7.2403 8.1910 8.1910 8.3210 8.3210 8.8120 8.8120 8.8391 8.8391 8.9163 8.9163 10.1210 10.1210 11.1922 11.1922 11.7493 11.7493 12.2440 12.2440 k = 0.0532 0.0307-0.0000 ( 3076 PWs) bands (ev): -31.6277 -31.6277 -12.9223 -12.9223 -12.5703 -12.5703 -12.5038 -12.5038 -4.9817 -4.9817 -4.1002 -4.1002 3.0193 3.0193 4.8595 4.8595 4.8917 4.8917 4.9121 4.9121 4.9487 4.9487 5.0268 5.0268 6.4244 6.4244 6.5317 6.5317 7.0746 7.0746 7.2327 7.2327 7.2395 7.2395 8.1621 8.1621 8.3079 8.3079 8.7685 8.7685 8.8390 8.8390 8.9051 8.9051 10.1757 10.1757 11.2026 11.2026 11.7664 11.7664 12.2700 12.2701 k = 0.0638 0.0369-0.0000 ( 3082 PWs) bands (ev): -31.6275 -31.6275 -12.9226 -12.9226 -12.5705 -12.5705 -12.5050 -12.5050 -4.9734 -4.9734 -4.0985 -4.0985 3.0304 3.0304 4.8408 4.8408 4.8768 4.8768 4.9073 4.9073 4.9528 4.9528 5.0265 5.0265 6.4245 6.4245 6.5308 6.5308 7.0706 7.0706 7.2294 7.2294 7.2385 7.2385 8.1276 8.1276 8.2952 8.2952 8.7116 8.7116 8.8443 8.8443 8.8923 8.8923 10.2357 10.2357 11.2172 11.2172 11.7868 11.7868 12.3007 12.3008 k = 0.0745 0.0430-0.0000 ( 3086 PWs) bands (ev): -31.6274 -31.6274 -12.9230 -12.9230 -12.5709 -12.5709 -12.5063 -12.5063 -4.9637 -4.9637 -4.0965 -4.0965 3.0435 3.0435 4.8193 4.8193 4.8569 4.8569 4.9041 4.9041 4.9574 4.9574 5.0259 5.0259 6.4245 6.4245 6.5298 6.5298 7.0660 7.0660 7.2255 7.2255 7.2373 7.2373 8.0892 8.0892 8.2825 8.2825 8.6503 8.6503 8.8459 8.8459 8.8792 8.8792 10.2990 10.2990 11.2362 11.2362 11.8107 11.8107 12.3361 12.3361 k = 0.0851 0.0491-0.0000 ( 3096 PWs) bands (ev): -31.6272 -31.6272 -12.9235 -12.9235 -12.5713 -12.5713 -12.5079 -12.5079 -4.9525 -4.9525 -4.0942 -4.0942 3.0584 3.0584 4.7952 4.7952 4.8329 4.8329 4.9017 4.9017 4.9623 4.9623 5.0250 5.0250 6.4244 6.4244 6.5287 6.5287 7.0607 7.0607 7.2211 7.2211 7.2358 7.2358 8.0482 8.0482 8.2697 8.2697 8.5867 8.5867 8.8401 8.8401 8.8681 8.8681 10.3640 10.3640 11.2597 11.2597 11.8382 11.8382 12.3758 12.3758 k = 0.0957 0.0553-0.0000 ( 3096 PWs) bands (ev): -31.6270 -31.6270 -12.9240 -12.9240 -12.5717 -12.5717 -12.5096 -12.5096 -4.9399 -4.9399 -4.0917 -4.0917 3.0752 3.0752 4.7690 4.7690 4.8051 4.8051 4.8999 4.8999 4.9677 4.9677 5.0238 5.0238 6.4244 6.4244 6.5276 6.5276 7.0548 7.0548 7.2161 7.2161 7.2339 7.2339 8.0056 8.0056 8.2564 8.2564 8.5220 8.5220 8.8261 8.8261 8.8595 8.8595 10.4293 10.4293 11.2871 11.2871 11.8698 11.8698 12.4196 12.4196 k = 0.1064 0.0614-0.0000 ( 3096 PWs) bands (ev): -31.6268 -31.6268 -12.9246 -12.9246 -12.5722 -12.5722 -12.5113 -12.5113 -4.9260 -4.9260 -4.0889 -4.0889 3.0936 3.0936 4.7406 4.7406 4.7740 4.7740 4.8984 4.8984 4.9733 4.9733 5.0223 5.0223 6.4244 6.4244 6.5264 6.5264 7.0484 7.0484 7.2106 7.2106 7.2318 7.2318 7.9623 7.9623 8.2424 8.2424 8.4572 8.4572 8.8071 8.8071 8.8500 8.8500 10.4942 10.4942 11.3174 11.3174 11.9062 11.9062 12.4673 12.4673 k = 0.1170 0.0676-0.0000 ( 3100 PWs) bands (ev): -31.6266 -31.6266 -12.9252 -12.9252 -12.5727 -12.5727 -12.5133 -12.5133 -4.9108 -4.9108 -4.0858 -4.0858 3.1137 3.1137 4.7101 4.7101 4.7398 4.7398 4.8972 4.8972 4.9791 4.9791 5.0205 5.0205 6.4243 6.4243 6.5253 6.5253 7.0414 7.0414 7.2045 7.2045 7.2292 7.2292 7.9188 7.9188 8.2276 8.2276 8.3929 8.3929 8.7857 8.7857 8.8374 8.8374 10.5579 10.5579 11.3489 11.3489 11.9482 11.9482 12.5184 12.5184 k = 0.1277 0.0737-0.0000 ( 3104 PWs) bands (ev): -31.6264 -31.6264 -12.9260 -12.9260 -12.5734 -12.5734 -12.5153 -12.5153 -4.8943 -4.8943 -4.0825 -4.0825 3.1354 3.1354 4.6774 4.6774 4.7033 4.7033 4.8962 4.8962 4.9851 4.9851 5.0184 5.0184 6.4241 6.4241 6.5243 6.5243 7.0340 7.0340 7.1979 7.1979 7.2262 7.2262 7.8758 7.8758 8.2118 8.2118 8.3299 8.3299 8.7626 8.7626 8.8208 8.8208 10.6203 10.6203 11.3796 11.3796 11.9970 11.9970 12.5726 12.5726 k = 0.1383 0.0798-0.0000 ( 3104 PWs) bands (ev): -31.6261 -31.6261 -12.9268 -12.9268 -12.5740 -12.5740 -12.5174 -12.5174 -4.8766 -4.8766 -4.0791 -4.0791 3.1584 3.1584 4.6416 4.6416 4.6656 4.6656 4.8953 4.8953 4.9912 4.9912 5.0161 5.0161 6.4239 6.4239 6.5233 6.5233 7.0260 7.0260 7.1908 7.1908 7.2229 7.2229 7.8335 7.8335 8.1950 8.1950 8.2686 8.2686 8.7384 8.7384 8.8004 8.8004 10.6811 10.6811 11.4072 11.4072 12.0538 12.0538 12.6293 12.6293 k = 0.1489 0.0860-0.0000 ( 3104 PWs) bands (ev): -31.6258 -31.6258 -12.9276 -12.9276 -12.5748 -12.5748 -12.5195 -12.5195 -4.8577 -4.8577 -4.0754 -4.0754 3.1828 3.1828 4.6016 4.6016 4.6283 4.6283 4.8947 4.8947 4.9971 4.9971 5.0139 5.0139 6.4236 6.4236 6.5226 6.5226 7.0176 7.0176 7.1831 7.1831 7.2190 7.2190 7.7923 7.7923 8.1762 8.1762 8.2101 8.2101 8.7133 8.7133 8.7763 8.7763 10.7406 10.7406 11.4298 11.4298 12.1193 12.1193 12.6881 12.6881 k = 0.1596 0.0921-0.0000 ( 3104 PWs) bands (ev): -31.6256 -31.6256 -12.9285 -12.9285 -12.5757 -12.5757 -12.5217 -12.5217 -4.8377 -4.8377 -4.0716 -4.0716 3.2083 3.2083 4.5570 4.5570 4.5924 4.5924 4.8942 4.8942 5.0016 5.0016 5.0130 5.0130 6.4233 6.4233 6.5219 6.5219 7.0089 7.0089 7.1750 7.1750 7.2146 7.2146 7.7525 7.7525 8.1451 8.1451 8.1651 8.1651 8.6876 8.6876 8.7487 8.7487 10.7987 10.7987 11.4461 11.4461 12.1937 12.1937 12.7480 12.7480 k = 0.1702 0.0983-0.0000 ( 3108 PWs) bands (ev): -31.6253 -31.6253 -12.9296 -12.9296 -12.5766 -12.5766 -12.5239 -12.5239 -4.8166 -4.8166 -4.0677 -4.0677 3.2347 3.2347 4.5087 4.5087 4.5573 4.5573 4.8938 4.8938 5.0020 5.0020 5.0159 5.0159 6.4228 6.4228 6.5214 6.5214 6.9997 6.9997 7.1664 7.1664 7.2098 7.2098 7.7140 7.7140 8.0931 8.0931 8.1423 8.1423 8.6612 8.6612 8.7183 8.7183 10.8557 10.8557 11.4556 11.4556 12.2767 12.2767 12.8075 12.8075 k = 0.1809 0.1044-0.0000 ( 3124 PWs) bands (ev): -31.6250 -31.6250 -12.9307 -12.9307 -12.5777 -12.5777 -12.5261 -12.5261 -4.7946 -4.7946 -4.0636 -4.0636 3.2619 3.2619 4.4574 4.4574 4.5229 4.5229 4.8935 4.8935 4.9994 4.9994 5.0217 5.0217 6.4223 6.4223 6.5211 6.5211 6.9902 6.9902 7.1573 7.1573 7.2045 7.2045 7.6772 7.6772 8.0409 8.0409 8.1212 8.1212 8.6339 8.6339 8.6856 8.6856 10.9117 10.9117 11.4585 11.4585 12.3670 12.3670 12.8634 12.8634 k = 0.1915 0.1106-0.0000 ( 3128 PWs) bands (ev): -31.6247 -31.6247 -12.9318 -12.9318 -12.5789 -12.5789 -12.5281 -12.5281 -4.7716 -4.7716 -4.0595 -4.0595 3.2896 3.2896 4.4039 4.4039 4.4892 4.4892 4.8934 4.8934 4.9957 4.9957 5.0284 5.0284 6.4217 6.4217 6.5210 6.5210 6.9804 6.9804 7.1478 7.1478 7.1988 7.1988 7.6420 7.6420 7.9909 7.9909 8.0995 8.0995 8.6052 8.6052 8.6520 8.6520 10.9667 10.9667 11.4557 11.4557 12.4635 12.4635 12.9090 12.9093 k = 0.2021 0.1167-0.0000 ( 3132 PWs) bands (ev): -31.6243 -31.6243 -12.9331 -12.9331 -12.5801 -12.5801 -12.5302 -12.5302 -4.7478 -4.7478 -4.0553 -4.0553 3.3175 3.3175 4.3485 4.3485 4.4564 4.4564 4.8933 4.8933 4.9913 4.9913 5.0356 5.0356 6.4211 6.4211 6.5211 6.5211 6.9705 6.9705 7.1379 7.1379 7.1928 7.1928 7.6087 7.6087 7.9434 7.9434 8.0769 8.0769 8.5737 8.5737 8.6191 8.6191 11.0205 11.0205 11.4483 11.4483 12.5642 12.5642 12.9411 12.9411 k = 0.2128 0.1228-0.0000 ( 3126 PWs) bands (ev): -31.6240 -31.6240 -12.9343 -12.9343 -12.5815 -12.5815 -12.5321 -12.5321 -4.7233 -4.7233 -4.0511 -4.0511 3.3454 3.3454 4.2916 4.2916 4.4248 4.4248 4.8934 4.8934 4.9866 4.9866 5.0429 5.0429 6.4206 6.4206 6.5215 6.5215 6.9604 6.9604 7.1276 7.1276 7.1865 7.1865 7.5771 7.5771 7.8987 7.8987 8.0534 8.0534 8.5380 8.5380 8.5889 8.5889 11.0726 11.0726 11.4378 11.4378 12.6672 12.6672 12.9663 12.9663 k = 0.2234 0.1290-0.0000 ( 3128 PWs) bands (ev): -31.6236 -31.6236 -12.9357 -12.9357 -12.5829 -12.5829 -12.5339 -12.5339 -4.6980 -4.6980 -4.0469 -4.0469 3.3727 3.3727 4.2335 4.2335 4.3947 4.3947 4.8935 4.8935 4.9815 4.9815 5.0503 5.0503 6.4200 6.4200 6.5221 6.5221 6.9501 6.9501 7.1169 7.1169 7.1798 7.1798 7.5474 7.5474 7.8566 7.8566 8.0287 8.0287 8.4981 8.4981 8.5620 8.5620 11.1221 11.1221 11.4262 11.4262 12.7704 12.7704 12.9903 12.9903 k = 0.2340 0.1351-0.0000 ( 3124 PWs) bands (ev): -31.6233 -31.6233 -12.9370 -12.9370 -12.5845 -12.5845 -12.5356 -12.5356 -4.6722 -4.6722 -4.0428 -4.0428 3.3991 3.3991 4.1748 4.1748 4.3666 4.3666 4.8937 4.8937 4.9761 4.9761 5.0578 5.0578 6.4194 6.4194 6.5229 6.5229 6.9398 6.9398 7.1059 7.1059 7.1731 7.1731 7.5195 7.5195 7.8172 7.8172 8.0031 8.0031 8.4548 8.4548 8.5379 8.5379 11.1670 11.1670 11.4164 11.4164 12.8714 12.8714 13.0155 13.0155 k = 0.2447 0.1413-0.0000 ( 3128 PWs) bands (ev): -31.6230 -31.6230 -12.9385 -12.9385 -12.5861 -12.5861 -12.5371 -12.5371 -4.6458 -4.6458 -4.0387 -4.0387 3.4241 3.4241 4.1158 4.1158 4.3409 4.3409 4.8939 4.8939 4.9703 4.9703 5.0652 5.0652 6.4190 6.4190 6.5238 6.5238 6.9293 6.9293 7.0946 7.0946 7.1664 7.1664 7.4933 7.4933 7.7803 7.7803 7.9765 7.9765 8.4091 8.4091 8.5158 8.5158 11.2033 11.2033 11.4130 11.4130 12.9676 12.9676 13.0427 13.0427 k = 0.2553 0.1474-0.0000 ( 3124 PWs) bands (ev): -31.6226 -31.6226 -12.9400 -12.9400 -12.5879 -12.5879 -12.5386 -12.5386 -4.6190 -4.6190 -4.0348 -4.0348 3.4469 3.4469 4.0569 4.0569 4.3181 4.3181 4.8942 4.8942 4.9642 4.9642 5.0727 5.0727 6.4186 6.4186 6.5250 6.5250 6.9189 6.9189 7.0831 7.0831 7.1597 7.1597 7.4688 7.4688 7.7462 7.7462 7.9490 7.9490 8.3618 8.3618 8.4956 8.4956 11.2256 11.2256 11.4221 11.4221 13.0570 13.0570 13.0725 13.0725 k = 0.2660 0.1536-0.0000 ( 3126 PWs) bands (ev): -31.6223 -31.6223 -12.9415 -12.9415 -12.5897 -12.5897 -12.5398 -12.5398 -4.5919 -4.5919 -4.0310 -4.0310 3.4669 3.4669 3.9987 3.9987 4.2988 4.2988 4.8945 4.8945 4.9578 4.9578 5.0801 5.0801 6.4183 6.4183 6.5263 6.5263 6.9086 6.9086 7.0715 7.0715 7.1531 7.1531 7.4459 7.4459 7.7144 7.7144 7.9205 7.9205 8.3134 8.3134 8.4768 8.4768 11.2311 11.2311 11.4470 11.4470 13.1043 13.1043 13.1393 13.1393 k = 0.2766 0.1597-0.0000 ( 3126 PWs) bands (ev): -31.6219 -31.6219 -12.9431 -12.9431 -12.5916 -12.5916 -12.5410 -12.5410 -4.5645 -4.5645 -4.0274 -4.0274 3.4834 3.4834 3.9417 3.9417 4.2835 4.2835 4.8947 4.8947 4.9510 4.9510 5.0874 5.0874 6.4181 6.4181 6.5277 6.5277 6.8983 6.8983 7.0599 7.0599 7.1469 7.1469 7.4246 7.4246 7.6851 7.6851 7.8912 7.8912 8.2643 8.2643 8.4596 8.4596 11.2236 11.2236 11.4843 11.4843 13.1391 13.1391 13.2141 13.2141 k = 0.2872 0.1658-0.0000 ( 3122 PWs) bands (ev): -31.6216 -31.6216 -12.9447 -12.9447 -12.5935 -12.5935 -12.5420 -12.5420 -4.5370 -4.5370 -4.0241 -4.0241 3.4952 3.4952 3.8867 3.8867 4.2727 4.2727 4.8949 4.8949 4.9440 4.9440 5.0945 5.0945 6.4181 6.4181 6.5293 6.5293 6.8881 6.8881 7.0485 7.0485 7.1411 7.1411 7.4048 7.4048 7.6581 7.6581 7.8612 7.8612 8.2147 8.2147 8.4437 8.4437 11.2086 11.2086 11.5286 11.5286 13.1762 13.1762 13.2830 13.2830 k = 0.2979 0.1720-0.0000 ( 3130 PWs) bands (ev): -31.6212 -31.6212 -12.9463 -12.9463 -12.5955 -12.5955 -12.5429 -12.5429 -4.5094 -4.5094 -4.0211 -4.0211 3.5016 3.5016 3.8346 3.8346 4.2668 4.2668 4.8951 4.8951 4.9367 4.9367 5.1015 5.1015 6.4182 6.4182 6.5308 6.5308 6.8780 6.8780 7.0373 7.0373 7.1358 7.1358 7.3864 7.3864 7.6332 7.6332 7.8305 7.8305 8.1650 8.1650 8.4292 8.4292 11.1900 11.1900 11.5763 11.5763 13.2158 13.2158 13.3468 13.3468 k = 0.3085 0.1781-0.0000 ( 3130 PWs) bands (ev): -31.6209 -31.6209 -12.9479 -12.9479 -12.5975 -12.5975 -12.5437 -12.5437 -4.4819 -4.4819 -4.0184 -4.0184 3.5014 3.5014 3.7863 3.7863 4.2660 4.2660 4.8950 4.8950 4.9292 4.9292 5.1084 5.1084 6.4184 6.4184 6.5325 6.5325 6.8682 6.8682 7.0267 7.0267 7.1312 7.1312 7.3694 7.3694 7.6103 7.6103 7.7993 7.7993 8.1154 8.1154 8.4160 8.4160 11.1698 11.1698 11.6255 11.6255 13.2576 13.2576 13.4057 13.4057 k = 0.3191 0.1843-0.0000 ( 3130 PWs) bands (ev): -31.6206 -31.6206 -12.9496 -12.9496 -12.5994 -12.5994 -12.5443 -12.5443 -4.4545 -4.4545 -4.0160 -4.0160 3.4936 3.4936 3.7432 3.7432 4.2703 4.2703 4.8946 4.8946 4.9218 4.9218 5.1150 5.1150 6.4188 6.4188 6.5341 6.5341 6.8585 6.8585 7.0167 7.0167 7.1272 7.1272 7.3537 7.3537 7.5892 7.5892 7.7677 7.7677 8.0662 8.0662 8.4039 8.4039 11.1491 11.1491 11.6749 11.6749 13.3016 13.3016 13.4578 13.4578 k = 0.3298 0.1904-0.0000 ( 3122 PWs) bands (ev): -31.6203 -31.6203 -12.9511 -12.9511 -12.6013 -12.6013 -12.5449 -12.5449 -4.4274 -4.4274 -4.0141 -4.0141 3.4777 3.4777 3.7063 3.7063 4.2795 4.2795 4.8933 4.8933 4.9147 4.9147 5.1215 5.1215 6.4194 6.4194 6.5359 6.5359 6.8490 6.8490 7.0076 7.0076 7.1241 7.1241 7.3393 7.3393 7.5699 7.5699 7.7359 7.7359 8.0176 8.0176 8.3930 8.3930 11.1286 11.1286 11.7241 11.7241 13.3476 13.3476 13.4917 13.4917 k = 0.3404 0.1965-0.0000 ( 3136 PWs) bands (ev): -31.6200 -31.6200 -12.9528 -12.9528 -12.6032 -12.6032 -12.5454 -12.5454 -4.4007 -4.4007 -4.0127 -4.0127 3.4541 3.4541 3.6757 3.6757 4.2931 4.2931 4.8902 4.8902 4.9090 4.9090 5.1276 5.1276 6.4201 6.4201 6.5374 6.5374 6.8398 6.8398 6.9991 6.9991 7.1218 7.1218 7.3261 7.3261 7.5520 7.5520 7.7040 7.7040 7.9698 7.9698 8.3832 8.3832 11.1086 11.1086 11.7724 11.7724 13.3952 13.3952 13.4803 13.4803 k = 0.3511 0.2027-0.0000 ( 3140 PWs) bands (ev): -31.6197 -31.6197 -12.9543 -12.9543 -12.6051 -12.6051 -12.5458 -12.5458 -4.3744 -4.3744 -4.0118 -4.0118 3.4242 3.4242 3.6507 3.6507 4.3107 4.3107 4.8844 4.8844 4.9055 4.9055 5.1334 5.1334 6.4209 6.4209 6.5390 6.5390 6.8308 6.8308 6.9919 6.9919 7.1206 7.1206 7.3142 7.3142 7.5354 7.5354 7.6722 7.6722 7.9231 7.9231 8.3743 8.3743 11.0896 11.0896 11.8194 11.8194 13.4356 13.4356 13.4463 13.4463 k = 0.3617 0.2088-0.0000 ( 3130 PWs) bands (ev): -31.6194 -31.6194 -12.9558 -12.9558 -12.6068 -12.6068 -12.5461 -12.5461 -4.3486 -4.3486 -4.0114 -4.0114 3.3903 3.3903 3.6299 3.6299 4.3315 4.3315 4.8762 4.8762 4.9040 4.9040 5.1390 5.1390 6.4219 6.4219 6.5406 6.5406 6.8222 6.8222 6.9857 6.9857 7.1204 7.1204 7.3037 7.3037 7.5197 7.5197 7.6409 7.6409 7.8778 7.8778 8.3665 8.3665 11.0716 11.0716 11.8650 11.8650 13.3840 13.3840 13.4954 13.4954 k = 0.3723 0.2150-0.0000 ( 3132 PWs) bands (ev): -31.6192 -31.6192 -12.9572 -12.9572 -12.6085 -12.6085 -12.5464 -12.5464 -4.3235 -4.3235 -4.0117 -4.0117 3.3545 3.3545 3.6120 3.6120 4.3550 4.3550 4.8664 4.8664 4.9034 4.9034 5.1442 5.1442 6.4230 6.4230 6.5421 6.5421 6.8140 6.8140 6.9806 6.9806 7.1213 7.1213 7.2945 7.2945 7.5047 7.5047 7.6103 7.6103 7.8341 7.8341 8.3594 8.3594 11.0547 11.0547 11.9087 11.9087 13.3277 13.3277 13.5468 13.5468 k = 0.3830 0.2211-0.0000 ( 3128 PWs) bands (ev): -31.6189 -31.6189 -12.9586 -12.9586 -12.6100 -12.6100 -12.5466 -12.5466 -4.2991 -4.2991 -4.0126 -4.0126 3.3185 3.3185 3.5960 3.5960 4.3804 4.3804 4.8557 4.8557 4.9032 4.9032 5.1491 5.1491 6.4241 6.4241 6.5435 6.5435 6.8062 6.8062 6.9765 6.9765 7.1233 7.1233 7.2869 7.2869 7.4898 7.4898 7.5807 7.5807 7.7924 7.7924 8.3532 8.3532 11.0391 11.0391 11.9504 11.9504 13.2713 13.2713 13.5988 13.5988 k = 0.3936 0.2273-0.0000 ( 3128 PWs) bands (ev): -31.6187 -31.6187 -12.9599 -12.9599 -12.6115 -12.6115 -12.5468 -12.5468 -4.2756 -4.2756 -4.0142 -4.0142 3.2834 3.2834 3.5815 3.5815 4.4072 4.4072 4.8440 4.8440 4.9032 4.9032 5.1536 5.1536 6.4253 6.4253 6.5447 6.5447 6.7991 6.7991 6.9734 6.9734 7.1266 7.1266 7.2807 7.2807 7.4744 7.4744 7.5527 7.5527 7.7529 7.7529 8.3477 8.3477 11.0248 11.0248 11.9898 11.9898 13.2166 13.2166 13.6508 13.6508 k = 0.4043 0.2334-0.0000 ( 3128 PWs) bands (ev): -31.6185 -31.6185 -12.9611 -12.9611 -12.6128 -12.6128 -12.5469 -12.5469 -4.2529 -4.2529 -4.0166 -4.0166 3.2502 3.2502 3.5682 3.5682 4.4349 4.4349 4.8316 4.8316 4.9033 4.9033 5.1578 5.1578 6.4265 6.4265 6.5457 6.5457 6.7925 6.7925 6.9712 6.9712 7.1312 7.1312 7.2762 7.2762 7.4575 7.4575 7.5272 7.5272 7.7159 7.7159 8.3429 8.3429 11.0118 11.0118 12.0265 12.0265 13.1647 13.1647 13.7024 13.7024 k = 0.4149 0.2395-0.0000 ( 3116 PWs) bands (ev): -31.6183 -31.6183 -12.9621 -12.9621 -12.6140 -12.6140 -12.5470 -12.5470 -4.2313 -4.2313 -4.0197 -4.0197 3.2195 3.2195 3.5561 3.5561 4.4631 4.4631 4.8184 4.8184 4.9035 4.9035 5.1615 5.1615 6.4277 6.4277 6.5467 6.5467 6.7867 6.7867 6.9698 6.9698 7.1372 7.1372 7.2734 7.2734 7.4385 7.4385 7.5048 7.5048 7.6821 7.6821 8.3387 8.3387 11.0002 11.0002 12.0605 12.0605 13.1165 13.1165 13.7528 13.7528 k = 0.4255 0.2457-0.0000 ( 3112 PWs) bands (ev): -31.6181 -31.6181 -12.9631 -12.9631 -12.6150 -12.6150 -12.5471 -12.5471 -4.2108 -4.2108 -4.0236 -4.0236 3.1915 3.1915 3.5452 3.5452 4.4912 4.4912 4.8043 4.8043 4.9036 4.9036 5.1648 5.1648 6.4288 6.4288 6.5474 6.5474 6.7815 6.7815 6.9689 6.9689 7.1446 7.1446 7.2723 7.2723 7.4171 7.4171 7.4855 7.4855 7.6517 7.6517 8.3351 8.3351 10.9899 10.9899 12.0913 12.0913 13.0726 13.0726 13.8012 13.8012 k = 0.4362 0.2518-0.0000 ( 3108 PWs) bands (ev): -31.6180 -31.6180 -12.9640 -12.9640 -12.6160 -12.6160 -12.5471 -12.5471 -4.1915 -4.1915 -4.0283 -4.0283 3.1668 3.1668 3.5356 3.5356 4.5190 4.5190 4.7894 4.7894 4.9038 4.9038 5.1677 5.1677 6.4299 6.4299 6.5480 6.5480 6.7771 6.7771 6.9685 6.9685 7.1535 7.1535 7.2727 7.2727 7.3941 7.3941 7.4686 7.4686 7.6252 7.6252 8.3321 8.3321 10.9810 10.9810 12.1189 12.1189 13.0334 13.0334 13.8465 13.8467 k = 0.4468 0.2580-0.0000 ( 3110 PWs) bands (ev): -31.6178 -31.6178 -12.9648 -12.9648 -12.6168 -12.6168 -12.5472 -12.5472 -4.1736 -4.1736 -4.0338 -4.0338 3.1455 3.1455 3.5273 3.5273 4.5462 4.5462 4.7736 4.7736 4.9040 4.9040 5.1702 5.1702 6.4309 6.4309 6.5484 6.5484 6.7734 6.7734 6.9684 6.9684 7.1638 7.1638 7.2745 7.2745 7.3706 7.3706 7.4531 7.4531 7.6029 7.6029 8.3296 8.3296 10.9734 10.9734 12.1429 12.1429 12.9995 12.9995 13.8877 13.8884 k = 0.4574 0.2641-0.0000 ( 3112 PWs) bands (ev): -31.6177 -31.6177 -12.9654 -12.9654 -12.6175 -12.6175 -12.5472 -12.5472 -4.1572 -4.1572 -4.0398 -4.0398 3.1278 3.1278 3.5204 3.5204 4.5725 4.5725 4.7570 4.7570 4.9041 4.9041 5.1722 5.1722 6.4318 6.4318 6.5487 6.5487 6.7704 6.7704 6.9684 6.9684 7.1757 7.1757 7.2769 7.2769 7.3479 7.3479 7.4386 7.4386 7.5852 7.5852 8.3276 8.3276 10.9673 10.9673 12.1630 12.1630 12.9711 12.9711 13.9237 13.9291 k = 0.4681 0.2702-0.0000 ( 3116 PWs) bands (ev): -31.6177 -31.6177 -12.9659 -12.9659 -12.6180 -12.6180 -12.5472 -12.5472 -4.1427 -4.1427 -4.0462 -4.0462 3.1139 3.1139 3.5150 3.5150 4.5975 4.5975 4.7398 4.7398 4.9042 4.9042 5.1738 5.1738 6.4324 6.4324 6.5488 6.5488 6.7682 6.7682 6.9686 6.9686 7.1888 7.1888 7.2781 7.2781 7.3282 7.3282 7.4252 7.4252 7.5719 7.5719 8.3260 8.3260 10.9625 10.9625 12.1791 12.1791 12.9486 12.9486 13.9521 13.9583 k = 0.4787 0.2764-0.0000 ( 3120 PWs) bands (ev): -31.6176 -31.6176 -12.9663 -12.9663 -12.6184 -12.6184 -12.5473 -12.5473 -4.1307 -4.1307 -4.0523 -4.0523 3.1039 3.1039 3.5110 3.5110 4.6206 4.6206 4.7223 4.7223 4.9042 4.9042 5.1749 5.1749 6.4329 6.4329 6.5489 6.5489 6.7666 6.7666 6.9687 6.9687 7.2030 7.2030 7.2746 7.2746 7.3151 7.3151 7.4138 7.4138 7.5627 7.5627 8.3250 8.3250 10.9591 10.9591 12.1907 12.1907 12.9323 12.9323 13.9733 13.9742 k = 0.4894 0.2825-0.0000 ( 3126 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6186 -12.6186 -12.5473 -12.5473 -4.1223 -4.1223 -4.0572 -4.0572 3.0978 3.0978 3.5087 3.5087 4.6401 4.6401 4.7063 4.7063 4.9043 4.9043 5.1755 5.1755 6.4332 6.4332 6.5490 6.5490 6.7657 6.7657 6.9688 6.9688 7.2167 7.2167 7.2646 7.2646 7.3105 7.3105 7.4059 7.4059 7.5574 7.5574 8.3243 8.3243 10.9570 10.9570 12.1978 12.1978 12.9224 12.9224 13.9809 13.9817 k = 0.5000 0.2887-0.0000 ( 3126 PWs) bands (ev): -31.6176 -31.6176 -12.9666 -12.9666 -12.6187 -12.6187 -12.5473 -12.5473 -4.1192 -4.1192 -4.0592 -4.0592 3.0958 3.0958 3.5079 3.5079 4.6493 4.6493 4.6982 4.6982 4.9043 4.9043 5.1758 5.1758 6.4333 6.4333 6.5490 6.5490 6.7654 6.7654 6.9688 6.9688 7.2242 7.2242 7.2577 7.2577 7.3100 7.3100 7.4030 7.4030 7.5557 7.5557 8.3241 8.3241 10.9563 10.9563 12.2002 12.2002 12.9191 12.9191 13.9826 13.9827 k = 0.5000 0.2887-0.0000 ( 3126 PWs) bands (ev): -31.6176 -31.6176 -12.9666 -12.9666 -12.6187 -12.6187 -12.5473 -12.5473 -4.1192 -4.1192 -4.0592 -4.0592 3.0958 3.0958 3.5079 3.5079 4.6493 4.6493 4.6982 4.6982 4.9043 4.9043 5.1758 5.1758 6.4333 6.4333 6.5490 6.5490 6.7654 6.7654 6.9688 6.9688 7.2242 7.2242 7.2577 7.2577 7.3100 7.3100 7.4030 7.4030 7.5557 7.5557 8.3241 8.3241 10.9563 10.9563 12.2002 12.2002 12.9191 12.9191 13.9829 13.9836 k = 0.4938 0.2994-0.0000 ( 3126 PWs) bands (ev): -31.6176 -31.6176 -12.9666 -12.9666 -12.6187 -12.6187 -12.5474 -12.5474 -4.1190 -4.1190 -4.0590 -4.0590 3.0969 3.0969 3.5080 3.5080 4.6488 4.6488 4.6982 4.6982 4.9037 4.9037 5.1738 5.1738 6.4327 6.4327 6.5498 6.5498 6.7643 6.7643 6.9687 6.9687 7.2198 7.2198 7.2577 7.2577 7.3109 7.3109 7.4063 7.4063 7.5547 7.5547 8.3244 8.3244 10.9610 10.9610 12.1999 12.1999 12.9190 12.9190 13.9800 13.9804 k = 0.4877 0.3101-0.0000 ( 3120 PWs) bands (ev): -31.6175 -31.6175 -12.9665 -12.9665 -12.6186 -12.6186 -12.5476 -12.5476 -4.1184 -4.1184 -4.0584 -4.0584 3.1000 3.1000 3.5086 3.5086 4.6472 4.6472 4.6982 4.6982 4.9018 4.9018 5.1679 5.1679 6.4310 6.4310 6.5524 6.5524 6.7610 6.7610 6.9684 6.9684 7.2092 7.2092 7.2558 7.2558 7.3145 7.3145 7.4154 7.4154 7.5518 7.5518 8.3255 8.3255 10.9751 10.9751 12.1992 12.1992 12.9187 12.9187 13.9712 13.9713 k = 0.4815 0.3208-0.0000 ( 3116 PWs) bands (ev): -31.6175 -31.6175 -12.9665 -12.9665 -12.6184 -12.6184 -12.5481 -12.5481 -4.1175 -4.1175 -4.0574 -4.0574 3.1052 3.1052 3.5095 3.5095 4.6444 4.6444 4.6982 4.6982 4.8987 4.8987 5.1582 5.1582 6.4284 6.4284 6.5562 6.5562 6.7557 6.7557 6.9679 6.9679 7.1956 7.1956 7.2503 7.2503 7.3208 7.3208 7.4282 7.4282 7.5471 7.5471 8.3272 8.3272 10.9984 10.9984 12.1981 12.1981 12.9182 12.9182 13.9556 13.9557 k = 0.4753 0.3314-0.0000 ( 3108 PWs) bands (ev): -31.6175 -31.6175 -12.9664 -12.9664 -12.6182 -12.6182 -12.5487 -12.5487 -4.1161 -4.1161 -4.0560 -4.0560 3.1125 3.1125 3.5107 3.5107 4.6403 4.6403 4.6981 4.6981 4.8945 4.8945 5.1449 5.1449 6.4251 6.4251 6.5610 6.5610 6.7487 6.7487 6.9671 6.9671 7.1811 7.1811 7.2421 7.2421 7.3287 7.3287 7.4430 7.4430 7.5409 7.5409 8.3294 8.3294 11.0303 11.0303 12.1967 12.1967 12.9174 12.9174 13.9334 13.9334 k = 0.4691 0.3421-0.0000 ( 3108 PWs) bands (ev): -31.6174 -31.6174 -12.9664 -12.9664 -12.6180 -12.6180 -12.5495 -12.5495 -4.1145 -4.1145 -4.0543 -4.0543 3.1219 3.1219 3.5122 3.5122 4.6347 4.6347 4.6979 4.6979 4.8892 4.8892 5.1284 5.1284 6.4214 6.4214 6.5660 6.5660 6.7405 6.7405 6.9661 6.9661 7.1668 7.1668 7.2323 7.2323 7.3373 7.3373 7.4583 7.4583 7.5337 7.5337 8.3320 8.3320 11.0705 11.0705 12.1954 12.1954 12.9161 12.9161 13.9046 13.9046 k = 0.4630 0.3528-0.0000 ( 3116 PWs) bands (ev): -31.6174 -31.6174 -12.9663 -12.9663 -12.6177 -12.6177 -12.5504 -12.5504 -4.1124 -4.1124 -4.0523 -4.0523 3.1332 3.1332 3.5140 3.5140 4.6273 4.6273 4.6975 4.6975 4.8830 4.8830 5.1090 5.1090 6.4175 6.4175 6.5705 6.5705 6.7317 6.7317 6.9648 6.9648 7.1534 7.1534 7.2218 7.2218 7.3457 7.3457 7.4724 7.4724 7.5263 7.5263 8.3348 8.3348 11.1183 11.1183 12.1944 12.1944 12.9143 12.9143 13.8695 13.8695 k = 0.4568 0.3635-0.0000 ( 3112 PWs) bands (ev): -31.6174 -31.6174 -12.9662 -12.9662 -12.6173 -12.6173 -12.5515 -12.5515 -4.1101 -4.1101 -4.0500 -4.0500 3.1466 3.1466 3.5162 3.5162 4.6178 4.6178 4.6970 4.6970 4.8761 4.8761 5.0873 5.0873 6.4136 6.4136 6.5738 6.5738 6.7234 6.7234 6.9635 6.9635 7.1413 7.1413 7.2111 7.2111 7.3537 7.3537 7.4827 7.4827 7.5216 7.5216 8.3378 8.3378 11.1730 11.1730 12.1939 12.1939 12.9119 12.9119 13.8283 13.8284 k = 0.4506 0.3742-0.0000 ( 3116 PWs) bands (ev): -31.6173 -31.6173 -12.9661 -12.9661 -12.6170 -12.6170 -12.5527 -12.5527 -4.1074 -4.1074 -4.0474 -4.0474 3.1619 3.1619 3.5185 3.5185 4.6056 4.6056 4.6961 4.6961 4.8687 4.8687 5.0640 5.0640 6.4098 6.4098 6.5750 6.5750 6.7166 6.7166 6.9619 6.9619 7.1308 7.1308 7.2003 7.2003 7.3608 7.3608 7.4845 7.4845 7.5240 7.5240 8.3407 8.3407 11.2339 11.2339 12.1942 12.1942 12.9085 12.9085 13.7817 13.7817 k = 0.4444 0.3849-0.0000 ( 3120 PWs) bands (ev): -31.6173 -31.6173 -12.9661 -12.9661 -12.6165 -12.6165 -12.5541 -12.5541 -4.1043 -4.1043 -4.0446 -4.0446 3.1790 3.1790 3.5212 3.5212 4.5904 4.5904 4.6948 4.6948 4.8609 4.8609 5.0399 5.0399 6.4061 6.4061 6.5732 6.5732 6.7124 6.7124 6.9602 6.9602 7.1219 7.1219 7.1897 7.1897 7.3667 7.3667 7.4785 7.4785 7.5332 7.5332 8.3434 8.3434 11.3000 11.3000 12.1955 12.1955 12.9041 12.9041 13.7303 13.7303 k = 0.4383 0.3956-0.0000 ( 3120 PWs) bands (ev): -31.6172 -31.6172 -12.9660 -12.9660 -12.6161 -12.6161 -12.5555 -12.5555 -4.1010 -4.1010 -4.0416 -4.0416 3.1980 3.1980 3.5240 3.5240 4.5716 4.5716 4.6930 4.6930 4.8530 4.8530 5.0158 5.0158 6.4028 6.4028 6.5680 6.5680 6.7116 6.7116 6.9583 6.9583 7.1146 7.1146 7.1794 7.1794 7.3707 7.3707 7.4700 7.4700 7.5445 7.5445 8.3459 8.3459 11.3706 11.3706 12.1982 12.1982 12.8983 12.8983 13.6750 13.6750 k = 0.4321 0.4063-0.0000 ( 3118 PWs) bands (ev): -31.6171 -31.6171 -12.9659 -12.9659 -12.6156 -12.6156 -12.5570 -12.5570 -4.0974 -4.0974 -4.0384 -4.0384 3.2187 3.2187 3.5270 3.5270 4.5487 4.5487 4.6906 4.6906 4.8453 4.8453 4.9926 4.9926 6.3997 6.3997 6.5598 6.5598 6.7141 6.7141 6.9563 6.9563 7.1088 7.1088 7.1695 7.1695 7.3723 7.3723 7.4619 7.4619 7.5558 7.5558 8.3480 8.3480 11.4448 11.4448 12.2023 12.2023 12.8909 12.8909 13.6169 13.6169 k = 0.4259 0.4170-0.0000 ( 3122 PWs) bands (ev): -31.6171 -31.6171 -12.9658 -12.9658 -12.6151 -12.6151 -12.5586 -12.5586 -4.0936 -4.0936 -4.0352 -4.0352 3.2411 3.2411 3.5302 3.5302 4.5214 4.5214 4.6875 4.6875 4.8380 4.8380 4.9710 4.9710 6.3967 6.3967 6.5494 6.5494 6.7194 6.7194 6.9541 6.9541 7.1043 7.1043 7.1601 7.1601 7.3706 7.3706 7.4557 7.4557 7.5664 7.5664 8.3497 8.3497 11.5219 11.5219 12.2081 12.2081 12.8817 12.8817 13.5571 13.5571 k = 0.4198 0.4277-0.0000 ( 3120 PWs) bands (ev): -31.6170 -31.6170 -12.9657 -12.9657 -12.6145 -12.6145 -12.5602 -12.5602 -4.0895 -4.0895 -4.0320 -4.0320 3.2650 3.2650 3.5334 3.5334 4.4897 4.4897 4.6836 4.6836 4.8315 4.8315 4.9514 4.9514 6.3940 6.3940 6.5377 6.5377 6.7269 6.7269 6.9519 6.9519 7.1010 7.1010 7.1515 7.1515 7.3652 7.3652 7.4522 7.4522 7.5760 7.5760 8.3509 8.3509 11.6009 11.6009 12.2158 12.2158 12.8702 12.8702 13.4968 13.4968 k = 0.4136 0.4384-0.0000 ( 3126 PWs) bands (ev): -31.6169 -31.6169 -12.9657 -12.9657 -12.6140 -12.6140 -12.5619 -12.5619 -4.0852 -4.0852 -4.0288 -4.0288 3.2904 3.2904 3.5368 3.5368 4.4536 4.4536 4.6789 4.6789 4.8259 4.8259 4.9342 4.9342 6.3914 6.3914 6.5256 6.5256 6.7358 6.7358 6.9494 6.9494 7.0984 7.0984 7.1437 7.1437 7.3564 7.3564 7.4513 7.4513 7.5844 7.5844 8.3517 8.3517 11.6812 11.6812 12.2253 12.2253 12.8563 12.8563 13.4372 13.4372 k = 0.4074 0.4491-0.0000 ( 3116 PWs) bands (ev): -31.6168 -31.6168 -12.9656 -12.9656 -12.6134 -12.6134 -12.5635 -12.5635 -4.0808 -4.0808 -4.0257 -4.0257 3.3170 3.3170 3.5403 3.5403 4.4137 4.4137 4.6734 4.6734 4.8214 4.8214 4.9194 4.9194 6.3888 6.3888 6.5138 6.5138 6.7457 6.7457 6.9467 6.9467 7.0964 7.0964 7.1371 7.1371 7.3452 7.3452 7.4523 7.4523 7.5918 7.5918 8.3521 8.3521 11.7619 11.7619 12.2369 12.2369 12.8398 12.8398 13.3792 13.3792 k = 0.4012 0.4597-0.0000 ( 3120 PWs) bands (ev): -31.6168 -31.6168 -12.9656 -12.9656 -12.6129 -12.6129 -12.5651 -12.5651 -4.0761 -4.0761 -4.0228 -4.0228 3.3447 3.3447 3.5437 3.5437 4.3707 4.3707 4.6672 4.6672 4.8181 4.8181 4.9069 4.9069 6.3862 6.3862 6.5026 6.5026 6.7561 6.7561 6.9438 6.9438 7.0944 7.0944 7.1321 7.1321 7.3323 7.3323 7.4545 7.4545 7.5980 7.5980 8.3519 8.3519 11.8423 11.8423 12.2505 12.2505 12.8205 12.8205 13.3238 13.3238 k = 0.3951 0.4704-0.0000 ( 3128 PWs) bands (ev): -31.6167 -31.6167 -12.9656 -12.9656 -12.6124 -12.6124 -12.5667 -12.5667 -4.0714 -4.0714 -4.0201 -4.0201 3.3733 3.3733 3.5473 3.5473 4.3252 4.3252 4.6604 4.6604 4.8158 4.8158 4.8964 4.8964 6.3835 6.3835 6.4925 6.4925 6.7667 6.7667 6.9408 6.9408 7.0920 7.0920 7.1291 7.1291 7.3185 7.3185 7.4572 7.4572 7.6031 7.6031 8.3514 8.3514 11.9217 11.9217 12.2661 12.2661 12.7985 12.7985 13.2716 13.2716 k = 0.3889 0.4811-0.0000 ( 3128 PWs) bands (ev): -31.6166 -31.6166 -12.9655 -12.9655 -12.6119 -12.6119 -12.5682 -12.5682 -4.0665 -4.0665 -4.0178 -4.0178 3.4025 3.4025 3.5508 3.5508 4.2784 4.2784 4.6534 4.6534 4.8147 4.8147 4.8875 4.8875 6.3807 6.3807 6.4836 6.4836 6.7775 6.7775 6.9375 6.9375 7.0890 7.0890 7.1284 7.1284 7.3042 7.3042 7.4601 7.4601 7.6071 7.6071 8.3505 8.3505 11.9994 11.9994 12.2838 12.2838 12.7740 12.7740 13.2232 13.2232 k = 0.3827 0.4918-0.0000 ( 3128 PWs) bands (ev): -31.6166 -31.6166 -12.9655 -12.9655 -12.6115 -12.6115 -12.5696 -12.5696 -4.0616 -4.0616 -4.0158 -4.0158 3.4319 3.4319 3.5545 3.5545 4.2310 4.2310 4.6464 4.6464 4.8146 4.8146 4.8799 4.8799 6.3777 6.3777 6.4761 6.4761 6.7881 6.7881 6.9340 6.9340 7.0854 7.0854 7.1298 7.1298 7.2898 7.2898 7.4629 7.4629 7.6101 7.6101 8.3493 8.3493 12.0744 12.0744 12.3034 12.3034 12.7473 12.7473 13.1791 13.1791 k = 0.3765 0.5025-0.0000 ( 3132 PWs) bands (ev): -31.6165 -31.6165 -12.9655 -12.9655 -12.6111 -12.6111 -12.5709 -12.5709 -4.0566 -4.0566 -4.0143 -4.0143 3.4610 3.4610 3.5582 3.5582 4.1841 4.1841 4.6396 4.6396 4.8153 4.8153 4.8734 4.8734 6.3747 6.3747 6.4698 6.4698 6.7984 6.7984 6.9302 6.9302 7.0816 7.0816 7.1330 7.1330 7.2755 7.2755 7.4656 7.4656 7.6121 7.6121 8.3480 8.3480 12.1460 12.1460 12.3249 12.3249 12.7189 12.7189 13.1399 13.1399 k = 0.3704 0.5132-0.0000 ( 3126 PWs) bands (ev): -31.6164 -31.6164 -12.9655 -12.9655 -12.6107 -12.6107 -12.5720 -12.5720 -4.0516 -4.0516 -4.0134 -4.0134 3.4891 3.4891 3.5622 3.5622 4.1388 4.1388 4.6332 4.6332 4.8168 4.8168 4.8677 4.8677 6.3718 6.3718 6.4649 6.4649 6.8084 6.8084 6.9262 6.9262 7.0780 7.0780 7.1377 7.1377 7.2615 7.2615 7.4680 7.4680 7.6133 7.6133 8.3467 8.3467 12.2130 12.2130 12.3482 12.3482 12.6892 12.6892 13.1062 13.1062 k = 0.3642 0.5239-0.0000 ( 3134 PWs) bands (ev): -31.6164 -31.6164 -12.9656 -12.9656 -12.6104 -12.6104 -12.5730 -12.5730 -4.0467 -4.0467 -4.0130 -4.0130 3.5151 3.5151 3.5667 3.5667 4.0963 4.0963 4.6275 4.6275 4.8190 4.8190 4.8625 4.8625 6.3689 6.3689 6.4609 6.4609 6.8177 6.8177 6.9222 6.9222 7.0746 7.0746 7.1436 7.1436 7.2478 7.2478 7.4700 7.4700 7.6138 7.6138 8.3452 8.3452 12.2741 12.2741 12.3728 12.3728 12.6587 12.6587 13.0791 13.0791 k = 0.3580 0.5346-0.0000 ( 3126 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6102 -12.6102 -12.5737 -12.5737 -4.0418 -4.0418 -4.0134 -4.0134 3.5374 3.5374 3.5723 3.5723 4.0580 4.0580 4.6225 4.6225 4.8217 4.8217 4.8577 4.8577 6.3665 6.3665 6.4580 6.4580 6.8264 6.8264 6.9181 6.9181 7.0717 7.0717 7.1505 7.1505 7.2346 7.2346 7.4717 7.4717 7.6137 7.6137 8.3439 8.3439 12.3281 12.3281 12.3986 12.3986 12.6275 12.6275 13.0599 13.0599 k = 0.3519 0.5453-0.0000 ( 3122 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6100 -12.6100 -12.5744 -12.5744 -4.0369 -4.0369 -4.0145 -4.0145 3.5536 3.5536 3.5801 3.5801 4.0256 4.0256 4.6186 4.6186 4.8249 4.8249 4.8531 4.8531 6.3644 6.3644 6.4560 6.4560 6.8339 6.8339 6.9141 6.9141 7.0695 7.0695 7.1583 7.1583 7.2221 7.2221 7.4730 7.4730 7.6133 7.6133 8.3428 8.3428 12.3736 12.3736 12.4250 12.4250 12.5956 12.5956 13.0503 13.0503 k = 0.3457 0.5560-0.0000 ( 3116 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6099 -12.6099 -12.5748 -12.5748 -4.0322 -4.0322 -4.0165 -4.0165 3.5631 3.5631 3.5891 3.5891 4.0009 4.0009 4.6157 4.6157 4.8284 4.8284 4.8488 4.8488 6.3629 6.3629 6.4545 6.4545 6.8400 6.8400 6.9106 6.9106 7.0678 7.0678 7.1667 7.1667 7.2103 7.2103 7.4738 7.4738 7.6127 7.6127 8.3419 8.3419 12.4099 12.4099 12.4508 12.4508 12.5631 12.5631 13.0517 13.0517 k = 0.3395 0.5667-0.0000 ( 3112 PWs) bands (ev): -31.6162 -31.6162 -12.9656 -12.9656 -12.6098 -12.6098 -12.5750 -12.5750 -4.0276 -4.0276 -4.0193 -4.0193 3.5682 3.5682 3.5954 3.5954 3.9856 3.9856 4.6139 4.6139 4.8318 4.8318 4.8449 4.8449 6.3620 6.3620 6.4537 6.4537 6.8440 6.8440 6.9082 6.9082 7.0669 7.0669 7.1753 7.1753 7.1998 7.1998 7.4743 7.4743 7.6122 7.6122 8.3413 8.3413 12.4359 12.4359 12.4747 12.4747 12.5312 12.5312 13.0645 13.0645 k = 0.3333 0.5774-0.0000 ( 3108 PWs) bands (ev): -31.6162 -31.6162 -12.9656 -12.9656 -12.6098 -12.6098 -12.5751 -12.5751 -4.0233 -4.0233 -4.0230 -4.0230 3.5702 3.5702 3.5971 3.5971 3.9806 3.9806 4.6133 4.6133 4.8337 4.8337 4.8429 4.8429 6.3617 6.3617 6.4535 6.4535 6.8454 6.8454 6.9073 6.9073 7.0666 7.0666 7.1807 7.1807 7.1937 7.1937 7.4745 7.4745 7.6120 7.6120 8.3411 8.3411 12.4478 12.4478 12.4886 12.4886 12.5114 12.5114 13.0875 13.0879 k = 0.3333 0.5774-0.0000 ( 3108 PWs) bands (ev): -31.6162 -31.6162 -12.9656 -12.9656 -12.6098 -12.6098 -12.5751 -12.5751 -4.0233 -4.0233 -4.0230 -4.0230 3.5702 3.5702 3.5971 3.5971 3.9806 3.9806 4.6133 4.6133 4.8337 4.8337 4.8429 4.8429 6.3617 6.3617 6.4535 6.4535 6.8454 6.8454 6.9073 6.9073 7.0666 7.0666 7.1807 7.1807 7.1937 7.1937 7.4745 7.4745 7.6120 7.6120 8.3411 8.3411 12.4478 12.4478 12.4886 12.4886 12.5114 12.5114 13.0875 13.0885 k = 0.3272 0.5667-0.0000 ( 3112 PWs) bands (ev): -31.6162 -31.6162 -12.9656 -12.9656 -12.6098 -12.6098 -12.5750 -12.5750 -4.0280 -4.0280 -4.0189 -4.0189 3.5672 3.5672 3.5968 3.5968 3.9852 3.9852 4.6139 4.6139 4.8317 4.8317 4.8451 4.8451 6.3620 6.3620 6.4537 6.4537 6.8440 6.8440 6.9082 6.9082 7.0669 7.0669 7.1754 7.1754 7.1997 7.1997 7.4744 7.4744 7.6123 7.6123 8.3414 8.3414 12.4308 12.4308 12.4877 12.4877 12.5235 12.5235 13.0632 13.0632 k = 0.3210 0.5560-0.0000 ( 3112 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6098 -12.6098 -12.5748 -12.5748 -4.0340 -4.0340 -4.0149 -4.0149 3.5570 3.5570 3.5985 3.5985 3.9978 3.9978 4.6157 4.6157 4.8276 4.8276 4.8495 4.8495 6.3629 6.3629 6.4546 6.4546 6.8399 6.8399 6.9107 6.9107 7.0678 7.0678 7.1672 7.1672 7.2099 7.2099 7.4741 7.4741 7.6133 7.6133 8.3421 8.3421 12.3940 12.3940 12.4937 12.4937 12.5371 12.5371 13.0467 13.0467 k = 0.3148 0.5453-0.0000 ( 3120 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6099 -12.6099 -12.5744 -12.5744 -4.0410 -4.0410 -4.0111 -4.0111 3.5412 3.5412 3.6025 3.6025 4.0161 4.0161 4.6187 4.6187 4.8231 4.8231 4.8546 4.8546 6.3643 6.3643 6.4561 6.4561 6.8337 6.8337 6.9143 6.9143 7.0691 7.0691 7.1594 7.1594 7.2211 7.2211 7.4738 7.4738 7.6153 7.6153 8.3433 8.3433 12.3513 12.3513 12.5007 12.5007 12.5447 12.5447 13.0405 13.0405 k = 0.3086 0.5346-0.0000 ( 3120 PWs) bands (ev): -31.6164 -31.6164 -12.9654 -12.9654 -12.6098 -12.6098 -12.5739 -12.5739 -4.0493 -4.0493 -4.0076 -4.0076 3.5228 3.5228 3.6083 3.6083 4.0380 4.0380 4.6228 4.6228 4.8184 4.8184 4.8601 4.8601 6.3661 6.3661 6.4584 6.4584 6.8260 6.8260 6.9184 6.9184 7.0710 7.0710 7.1525 7.1525 7.2328 7.2328 7.4738 7.4738 7.6184 7.6184 8.3452 8.3452 12.3061 12.3061 12.5075 12.5075 12.5446 12.5446 13.0459 13.0459 k = 0.3025 0.5239-0.0000 ( 3124 PWs) bands (ev): -31.6164 -31.6164 -12.9653 -12.9653 -12.6098 -12.6098 -12.5734 -12.5734 -4.0587 -4.0587 -4.0044 -4.0044 3.5036 3.5036 3.6153 3.6153 4.0618 4.0618 4.6280 4.6280 4.8140 4.8140 4.8659 4.8659 6.3682 6.3682 6.4618 6.4618 6.8171 6.8171 6.9227 6.9227 7.0731 7.0731 7.1468 7.1468 7.2449 7.2449 7.4741 7.4741 7.6228 7.6228 8.3477 8.3477 12.2593 12.2593 12.5135 12.5135 12.5376 12.5376 13.0628 13.0628 k = 0.2963 0.5132-0.0000 ( 3132 PWs) bands (ev): -31.6165 -31.6165 -12.9651 -12.9651 -12.6097 -12.6097 -12.5727 -12.5727 -4.0694 -4.0694 -4.0015 -4.0015 3.4852 3.4852 3.6235 3.6235 4.0859 4.0859 4.6342 4.6342 4.8098 4.8098 4.8719 4.8719 6.3701 6.3701 6.4663 6.4663 6.8074 6.8074 6.9269 6.9269 7.0752 7.0752 7.1425 7.1425 7.2573 7.2573 7.4749 7.4749 7.6285 7.6285 8.3508 8.3508 12.2117 12.2117 12.5112 12.5112 12.5321 12.5321 13.0904 13.0904 k = 0.2901 0.5025-0.0000 ( 3128 PWs) bands (ev): -31.6166 -31.6166 -12.9648 -12.9648 -12.6095 -12.6095 -12.5719 -12.5719 -4.0813 -4.0813 -3.9989 -3.9989 3.4683 3.4683 3.6329 3.6329 4.1092 4.1092 4.6414 4.6414 4.8063 4.8063 4.8781 4.8781 6.3720 6.3720 6.4723 6.4723 6.7972 6.7972 6.9310 6.9310 7.0771 7.0771 7.1401 7.1401 7.2701 7.2701 7.4767 7.4767 7.6357 7.6357 8.3547 8.3547 12.1637 12.1637 12.4929 12.4929 12.5377 12.5377 13.1272 13.1272 k = 0.2840 0.4918-0.0000 ( 3130 PWs) bands (ev): -31.6167 -31.6167 -12.9645 -12.9645 -12.6093 -12.6093 -12.5711 -12.5711 -4.0945 -4.0945 -3.9967 -3.9967 3.4534 3.4534 3.6434 3.6434 4.1309 4.1309 4.6495 4.6495 4.8036 4.8036 4.8844 4.8844 6.3736 6.3736 6.4799 6.4799 6.7866 6.7866 6.9347 6.9347 7.0784 7.0784 7.1396 7.1396 7.2831 7.2831 7.4794 7.4794 7.6443 7.6443 8.3592 8.3592 12.1157 12.1157 12.4677 12.4677 12.5464 12.5464 13.1714 13.1714 k = 0.2778 0.4811-0.0000 ( 3130 PWs) bands (ev): -31.6168 -31.6168 -12.9641 -12.9641 -12.6090 -12.6090 -12.5702 -12.5702 -4.1089 -4.1089 -3.9947 -3.9947 3.4410 3.4410 3.6553 3.6553 4.1500 4.1500 4.6583 4.6583 4.8021 4.8021 4.8909 4.8909 6.3748 6.3748 6.4892 6.4892 6.7757 6.7757 6.9382 6.9382 7.0791 7.0791 7.1413 7.1413 7.2964 7.2964 7.4834 7.4834 7.6545 7.6545 8.3645 8.3645 12.0680 12.0680 12.4392 12.4392 12.5558 12.5558 13.2217 13.2218 k = 0.2716 0.4704-0.0000 ( 3124 PWs) bands (ev): -31.6169 -31.6169 -12.9636 -12.9636 -12.6086 -12.6086 -12.5692 -12.5692 -4.1245 -4.1245 -3.9932 -3.9932 3.4314 3.4314 3.6685 3.6685 4.1660 4.1660 4.6678 4.6678 4.8021 4.8021 4.8975 4.8975 6.3756 6.3756 6.5002 6.5002 6.7648 6.7648 6.9413 6.9413 7.0793 7.0793 7.1452 7.1452 7.3101 7.3101 7.4887 7.4887 7.6663 7.6663 8.3705 8.3705 12.0210 12.0210 12.4087 12.4087 12.5649 12.5649 13.2772 13.2772 k = 0.2654 0.4597-0.0000 ( 3120 PWs) bands (ev): -31.6171 -31.6171 -12.9630 -12.9630 -12.6081 -12.6081 -12.5682 -12.5682 -4.1414 -4.1414 -3.9920 -3.9920 3.4246 3.4246 3.6832 3.6832 4.1784 4.1784 4.6779 4.6779 4.8036 4.8036 4.9041 4.9041 6.3760 6.3760 6.5129 6.5129 6.7539 6.7539 6.9442 6.9442 7.0792 7.0792 7.1509 7.1509 7.3240 7.3240 7.4955 7.4955 7.6797 7.6797 8.3773 8.3773 11.9748 11.9748 12.3773 12.3773 12.5731 12.5731 13.3370 13.3370 k = 0.2593 0.4491-0.0000 ( 3120 PWs) bands (ev): -31.6173 -31.6173 -12.9624 -12.9624 -12.6075 -12.6075 -12.5672 -12.5672 -4.1595 -4.1595 -3.9912 -3.9912 3.4206 3.4206 3.6993 3.6993 4.1867 4.1867 4.6885 4.6885 4.8069 4.8069 4.9107 4.9107 6.3760 6.3760 6.5270 6.5270 6.7431 6.7431 6.9470 6.9470 7.0790 7.0790 7.1583 7.1583 7.3382 7.3382 7.5038 7.5038 7.6946 7.6946 8.3849 8.3849 11.9297 11.9297 12.3454 12.3454 12.5797 12.5797 13.4004 13.4004 k = 0.2531 0.4384-0.0000 ( 3112 PWs) bands (ev): -31.6174 -31.6174 -12.9616 -12.9616 -12.6068 -12.6068 -12.5661 -12.5661 -4.1787 -4.1787 -3.9908 -3.9908 3.4196 3.4196 3.7169 3.7169 4.1909 4.1909 4.6995 4.6995 4.8121 4.8121 4.9174 4.9174 6.3759 6.3759 6.5424 6.5424 6.7328 6.7328 6.9497 6.9497 7.0791 7.0791 7.1670 7.1670 7.3529 7.3529 7.5137 7.5137 7.7113 7.7113 8.3932 8.3932 11.8857 11.8857 12.3135 12.3135 12.5842 12.5842 13.4671 13.4671 k = 0.2469 0.4277-0.0000 ( 3114 PWs) bands (ev): -31.6177 -31.6177 -12.9608 -12.9608 -12.6061 -12.6061 -12.5650 -12.5650 -4.1991 -4.1991 -3.9908 -3.9908 3.4213 3.4213 3.7361 3.7361 4.1910 4.1910 4.7108 4.7108 4.8190 4.8190 4.9240 4.9240 6.3756 6.3756 6.5586 6.5586 6.7230 6.7230 6.9524 6.9524 7.0795 7.0795 7.1769 7.1769 7.3681 7.3681 7.5252 7.5252 7.7294 7.7294 8.4024 8.4024 11.8431 11.8431 12.2818 12.2818 12.5861 12.5861 13.5365 13.5365 k = 0.2407 0.4170-0.0000 ( 3110 PWs) bands (ev): -31.6179 -31.6179 -12.9599 -12.9599 -12.6052 -12.6052 -12.5639 -12.5639 -4.2205 -4.2205 -3.9911 -3.9911 3.4256 3.4256 3.7569 3.7569 4.1873 4.1873 4.7223 4.7223 4.8274 4.8274 4.9306 4.9306 6.3754 6.3754 6.5751 6.5751 6.7144 6.7144 6.9554 6.9554 7.0804 7.0804 7.1879 7.1879 7.3838 7.3838 7.5384 7.5384 7.7492 7.7492 8.4124 8.4124 11.8019 11.8019 12.2508 12.2508 12.5847 12.5847 13.6081 13.6081 k = 0.2346 0.4063-0.0000 ( 3114 PWs) bands (ev): -31.6181 -31.6181 -12.9589 -12.9589 -12.6043 -12.6043 -12.5627 -12.5627 -4.2429 -4.2429 -3.9918 -3.9918 3.4323 3.4323 3.7793 3.7793 4.1802 4.1802 4.7340 4.7340 4.8369 4.8369 4.9371 4.9371 6.3752 6.3752 6.5909 6.5909 6.7075 6.7075 6.9586 6.9586 7.0818 7.0818 7.1998 7.1998 7.4002 7.4002 7.5531 7.5531 7.7706 7.7706 8.4232 8.4232 11.7622 11.7622 12.2203 12.2203 12.5799 12.5799 13.6809 13.6810 k = 0.2284 0.3956-0.0000 ( 3126 PWs) bands (ev): -31.6184 -31.6184 -12.9579 -12.9579 -12.6033 -12.6033 -12.5616 -12.5616 -4.2662 -4.2662 -3.9928 -3.9928 3.4410 3.4410 3.8033 3.8033 4.1703 4.1703 4.7458 4.7458 4.8474 4.8474 4.9435 4.9435 6.3751 6.3751 6.6046 6.6046 6.7038 6.7038 6.9623 6.9623 7.0838 7.0838 7.2126 7.2126 7.4171 7.4171 7.5695 7.5695 7.7935 7.7935 8.4348 8.4348 11.7240 11.7240 12.1907 12.1907 12.5713 12.5713 13.7065 13.7065 k = 0.2222 0.3849-0.0000 ( 3126 PWs) bands (ev): -31.6186 -31.6186 -12.9568 -12.9568 -12.6022 -12.6022 -12.5603 -12.5603 -4.2904 -4.2904 -3.9943 -3.9943 3.4515 3.4515 3.8289 3.8289 4.1584 4.1584 4.7576 4.7576 4.8583 4.8583 4.9497 4.9497 6.3753 6.3753 6.6142 6.6142 6.7051 6.7051 6.9666 6.9666 7.0865 7.0865 7.2263 7.2263 7.4349 7.4349 7.5874 7.5874 7.8180 7.8180 8.4473 8.4473 11.6873 11.6873 12.1619 12.1619 12.5588 12.5588 13.6972 13.6972 k = 0.2160 0.3742-0.0000 ( 3122 PWs) bands (ev): -31.6189 -31.6189 -12.9556 -12.9556 -12.6011 -12.6011 -12.5591 -12.5591 -4.3153 -4.3153 -3.9960 -3.9960 3.4631 3.4631 3.8562 3.8562 4.1452 4.1452 4.7693 4.7693 4.8695 4.8695 4.9558 4.9558 6.3758 6.3758 6.6182 6.6182 6.7127 6.7127 6.9716 6.9716 7.0897 7.0897 7.2409 7.2409 7.4536 7.4536 7.6070 7.6070 7.8440 7.8440 8.4606 8.4606 11.6520 11.6520 12.1341 12.1341 12.5425 12.5425 13.6723 13.6723 k = 0.2099 0.3635-0.0000 ( 3128 PWs) bands (ev): -31.6192 -31.6192 -12.9543 -12.9543 -12.5999 -12.5999 -12.5578 -12.5578 -4.3410 -4.3410 -3.9981 -3.9981 3.4752 3.4752 3.8849 3.8849 4.1318 4.1318 4.7810 4.7810 4.8804 4.8804 4.9616 4.9616 6.3766 6.3766 6.6170 6.6170 6.7259 6.7259 6.9774 6.9774 7.0936 7.0936 7.2563 7.2563 7.4732 7.4732 7.6281 7.6281 7.8715 7.8715 8.4747 8.4747 11.6180 11.6180 12.1071 12.1071 12.5225 12.5225 13.6337 13.6337 k = 0.2037 0.3528-0.0000 ( 3126 PWs) bands (ev): -31.6195 -31.6195 -12.9530 -12.9530 -12.5986 -12.5986 -12.5564 -12.5564 -4.3673 -4.3673 -4.0005 -4.0005 3.4870 3.4870 3.9151 3.9151 4.1191 4.1191 4.7924 4.7924 4.8910 4.8910 4.9672 4.9672 6.3777 6.3777 6.6125 6.6125 6.7427 6.7427 6.9840 6.9840 7.0981 7.0981 7.2726 7.2726 7.4938 7.4938 7.6507 7.6507 7.9005 7.9005 8.4897 8.4897 11.5852 11.5852 12.0810 12.0810 12.4990 12.4990 13.5849 13.5849 k = 0.1975 0.3421-0.0000 ( 3126 PWs) bands (ev): -31.6198 -31.6198 -12.9516 -12.9516 -12.5972 -12.5972 -12.5551 -12.5551 -4.3940 -4.3940 -4.0032 -4.0032 3.4978 3.4978 3.9468 3.9468 4.1082 4.1082 4.8037 4.8037 4.9009 4.9009 4.9725 4.9725 6.3791 6.3791 6.6062 6.6062 6.7613 6.7613 6.9915 6.9915 7.1031 7.1031 7.2897 7.2897 7.5155 7.5155 7.6748 7.6748 7.9309 7.9309 8.5055 8.5055 11.5535 11.5535 12.0556 12.0556 12.4726 12.4726 13.5293 13.5293 k = 0.1914 0.3314-0.0000 ( 3118 PWs) bands (ev): -31.6201 -31.6201 -12.9502 -12.9502 -12.5958 -12.5958 -12.5536 -12.5536 -4.4212 -4.4212 -4.0061 -4.0061 3.5064 3.5064 3.9798 3.9798 4.1005 4.1005 4.8147 4.8147 4.9101 4.9101 4.9776 4.9776 6.3809 6.3809 6.5991 6.5991 6.7805 6.7805 7.0000 7.0000 7.1088 7.1088 7.3077 7.3077 7.5385 7.5385 7.7003 7.7003 7.9627 7.9627 8.5220 8.5220 11.5225 11.5225 12.0310 12.0310 12.4436 12.4436 13.4696 13.4696 k = 0.1852 0.3208-0.0000 ( 3122 PWs) bands (ev): -31.6204 -31.6204 -12.9487 -12.9487 -12.5944 -12.5944 -12.5521 -12.5521 -4.4488 -4.4488 -4.0093 -4.0093 3.5119 3.5119 4.0141 4.0141 4.0969 4.0969 4.8254 4.8254 4.9184 4.9184 4.9823 4.9823 6.3829 6.3829 6.5915 6.5915 6.7998 6.7998 7.0092 7.0092 7.1148 7.1148 7.3266 7.3266 7.5626 7.5626 7.7269 7.7269 7.9958 7.9958 8.5392 8.5392 11.4919 11.4919 12.0070 12.0070 12.4126 12.4126 13.4082 13.4082 k = 0.1790 0.3101-0.0000 ( 3122 PWs) bands (ev): -31.6208 -31.6208 -12.9472 -12.9472 -12.5930 -12.5930 -12.5506 -12.5506 -4.4765 -4.4765 -4.0128 -4.0128 3.5133 3.5133 4.0495 4.0495 4.0986 4.0986 4.8357 4.8357 4.9257 4.9257 4.9867 4.9867 6.3853 6.3853 6.5840 6.5840 6.8186 6.8186 7.0192 7.0192 7.1213 7.1213 7.3465 7.3465 7.5882 7.5882 7.7547 7.7547 8.0303 8.0303 8.5571 8.5571 11.4614 11.4614 11.9834 11.9834 12.3802 12.3802 13.3465 13.3465 k = 0.1728 0.2994-0.0000 ( 3118 PWs) bands (ev): -31.6211 -31.6211 -12.9457 -12.9457 -12.5915 -12.5915 -12.5490 -12.5490 -4.5044 -4.5044 -4.0164 -4.0164 3.5102 3.5102 4.0857 4.0857 4.1064 4.1064 4.8457 4.8457 4.9321 4.9321 4.9908 4.9908 6.3879 6.3879 6.5767 6.5767 6.8369 6.8369 7.0299 7.0299 7.1282 7.1282 7.3674 7.3674 7.6152 7.6152 7.7835 7.7835 8.0661 8.0661 8.5757 8.5757 11.4306 11.4306 11.9600 11.9600 12.3472 12.3472 13.2858 13.2858 k = 0.1667 0.2887-0.0000 ( 3120 PWs) bands (ev): -31.6215 -31.6215 -12.9442 -12.9442 -12.5900 -12.5900 -12.5473 -12.5473 -4.5323 -4.5323 -4.0203 -4.0203 3.5022 3.5022 4.1172 4.1172 4.1260 4.1260 4.8553 4.8553 4.9375 4.9375 4.9945 4.9945 6.3906 6.3906 6.5696 6.5696 6.8542 6.8542 7.0411 7.0411 7.1354 7.1354 7.3892 7.3892 7.6438 7.6438 7.8132 7.8132 8.1031 8.1031 8.5947 8.5947 11.3989 11.3989 11.9365 11.9365 12.3140 12.3140 13.2270 13.2270 k = 0.1605 0.2780-0.0000 ( 3120 PWs) bands (ev): -31.6218 -31.6218 -12.9427 -12.9427 -12.5886 -12.5886 -12.5456 -12.5456 -4.5601 -4.5601 -4.0243 -4.0243 3.4895 3.4895 4.1383 4.1383 4.1629 4.1629 4.8645 4.8645 4.9420 4.9420 4.9979 4.9979 6.3936 6.3936 6.5629 6.5629 6.8708 6.8708 7.0527 7.0527 7.1428 7.1428 7.4122 7.4122 7.6741 7.6741 7.8435 7.8435 8.1413 8.1413 8.6142 8.6142 11.3660 11.3660 11.9127 11.9127 12.2814 12.2814 13.1709 13.1709 k = 0.1543 0.2673-0.0000 ( 3124 PWs) bands (ev): -31.6222 -31.6222 -12.9413 -12.9413 -12.5872 -12.5872 -12.5437 -12.5437 -4.5878 -4.5878 -4.0284 -4.0284 3.4727 3.4727 4.1636 4.1636 4.2018 4.2018 4.8732 4.8732 4.9456 4.9456 5.0010 5.0010 6.3966 6.3966 6.5566 6.5566 6.8864 6.8864 7.0646 7.0646 7.1503 7.1503 7.4364 7.4364 7.7060 7.7060 7.8742 7.8742 8.1805 8.1805 8.6340 8.6340 11.3313 11.3313 11.8882 11.8882 12.2499 12.2499 13.1180 13.1180 k = 0.1481 0.2566-0.0000 ( 3118 PWs) bands (ev): -31.6225 -31.6225 -12.9398 -12.9398 -12.5857 -12.5857 -12.5418 -12.5418 -4.6153 -4.6153 -4.0327 -4.0327 3.4523 3.4523 4.1936 4.1936 4.2414 4.2414 4.8814 4.8814 4.9483 4.9483 5.0037 5.0037 6.3997 6.3997 6.5508 6.5508 6.9014 6.9014 7.0766 7.0766 7.1579 7.1579 7.4619 7.4619 7.7398 7.7398 7.9052 7.9052 8.2208 8.2208 8.6541 8.6541 11.2943 11.2943 11.8627 11.8627 12.2199 12.2199 13.0690 13.0690 k = 0.1420 0.2459-0.0000 ( 3112 PWs) bands (ev): -31.6229 -31.6229 -12.9383 -12.9383 -12.5844 -12.5844 -12.5398 -12.5398 -4.6423 -4.6423 -4.0370 -4.0370 3.4291 3.4291 4.2275 4.2275 4.2814 4.2814 4.8891 4.8891 4.9502 4.9502 5.0062 5.0062 6.4028 6.4028 6.5456 6.5456 6.9156 6.9156 7.0886 7.0886 7.1655 7.1655 7.4886 7.4886 7.7756 7.7756 7.9362 7.9362 8.2620 8.2620 8.6743 8.6743 11.2549 11.2549 11.8356 11.8356 12.1917 12.1917 13.0241 13.0241 k = 0.1358 0.2352-0.0000 ( 3120 PWs) bands (ev): -31.6232 -31.6232 -12.9369 -12.9369 -12.5831 -12.5831 -12.5378 -12.5378 -4.6690 -4.6690 -4.0413 -4.0413 3.4037 3.4037 4.2646 4.2646 4.3216 4.3216 4.8962 4.8962 4.9514 4.9514 5.0085 5.0085 6.4058 6.4058 6.5408 6.5408 6.9290 6.9290 7.1003 7.1003 7.1729 7.1729 7.5167 7.5167 7.8132 7.8132 7.9671 7.9671 8.3039 8.3039 8.6945 8.6945 11.2126 11.2126 11.8067 11.8067 12.1652 12.1652 12.9840 12.9840 k = 0.1296 0.2245-0.0000 ( 3124 PWs) bands (ev): -31.6236 -31.6236 -12.9356 -12.9356 -12.5818 -12.5818 -12.5357 -12.5357 -4.6951 -4.6951 -4.0457 -4.0457 3.3769 3.3769 4.3042 4.3042 4.3619 4.3619 4.9028 4.9028 4.9519 4.9519 5.0104 5.0104 6.4087 6.4087 6.5367 6.5367 6.9417 6.9417 7.1118 7.1118 7.1801 7.1801 7.5462 7.5462 7.8528 7.8528 7.9976 7.9976 8.3464 8.3464 8.7145 8.7145 11.1673 11.1673 11.7755 11.7755 12.1403 12.1403 12.9488 12.9488 k = 0.1235 0.2138-0.0000 ( 3124 PWs) bands (ev): -31.6239 -31.6239 -12.9343 -12.9343 -12.5806 -12.5806 -12.5335 -12.5335 -4.7206 -4.7206 -4.0501 -4.0501 3.3492 3.3492 4.3456 4.3456 4.4020 4.4020 4.9088 4.9088 4.9519 4.9519 5.0122 5.0122 6.4113 6.4113 6.5331 6.5331 6.9539 6.9539 7.1231 7.1231 7.1869 7.1869 7.5771 7.5771 7.8944 7.8944 8.0279 8.0279 8.3893 8.3893 8.7342 8.7342 11.1191 11.1191 11.7418 11.7418 12.1168 12.1168 12.9189 12.9189 k = 0.1173 0.2031-0.0000 ( 3132 PWs) bands (ev): -31.6243 -31.6243 -12.9331 -12.9331 -12.5795 -12.5795 -12.5313 -12.5313 -4.7454 -4.7454 -4.0545 -4.0545 3.3210 3.3210 4.3882 4.3882 4.4419 4.4419 4.9143 4.9143 4.9513 4.9513 5.0138 5.0138 6.4137 6.4137 6.5302 6.5302 6.9655 6.9655 7.1339 7.1339 7.1934 7.1934 7.6095 7.6095 7.9377 7.9377 8.0577 8.0577 8.4324 8.4324 8.7534 8.7534 11.0679 11.0679 11.7054 11.7054 12.0942 12.0942 12.8943 12.8943 k = 0.1111 0.1925-0.0000 ( 3128 PWs) bands (ev): -31.6246 -31.6246 -12.9319 -12.9319 -12.5784 -12.5784 -12.5290 -12.5290 -4.7694 -4.7694 -4.0588 -4.0588 3.2927 3.2927 4.4316 4.4316 4.4812 4.4812 4.9191 4.9191 4.9503 4.9503 5.0153 5.0153 6.4159 6.4159 6.5279 6.5279 6.9767 6.9767 7.1443 7.1443 7.1995 7.1995 7.6434 7.6434 7.9825 7.9825 8.0875 8.0875 8.4754 8.4754 8.7719 8.7719 11.0139 11.0139 11.6663 11.6663 12.0721 12.0721 12.8748 12.8749 k = 0.1049 0.1818-0.0000 ( 3128 PWs) bands (ev): -31.6249 -31.6249 -12.9307 -12.9307 -12.5774 -12.5774 -12.5268 -12.5268 -4.7926 -4.7926 -4.0631 -4.0631 3.2647 3.2647 4.4751 4.4751 4.5199 4.5199 4.9233 4.9233 4.9490 4.9490 5.0167 5.0167 6.4179 6.4179 6.5262 6.5262 6.9873 6.9873 7.1543 7.1543 7.2052 7.2052 7.6788 7.6788 8.0280 8.0280 8.1177 8.1177 8.5181 8.5181 8.7896 8.7896 10.9573 10.9573 11.6248 11.6248 12.0500 12.0500 12.8598 12.8607 k = 0.0988 0.1711-0.0000 ( 3128 PWs) bands (ev): -31.6253 -31.6253 -12.9297 -12.9297 -12.5765 -12.5765 -12.5245 -12.5245 -4.8148 -4.8148 -4.0672 -4.0672 3.2372 3.2372 4.5184 4.5184 4.5577 4.5577 4.9268 4.9268 4.9475 4.9475 5.0180 5.0180 6.4195 6.4195 6.5250 6.5250 6.9975 6.9975 7.1638 7.1638 7.2104 7.2104 7.7157 7.7157 8.0724 8.0724 8.1501 8.1501 8.5601 8.5601 8.8062 8.8062 10.8983 10.8983 11.5813 11.5813 12.0275 12.0275 12.8325 12.8325 k = 0.0926 0.1604-0.0000 ( 3116 PWs) bands (ev): -31.6255 -31.6255 -12.9286 -12.9286 -12.5756 -12.5756 -12.5221 -12.5221 -4.8361 -4.8361 -4.0712 -4.0712 3.2104 3.2104 4.5610 4.5610 4.5944 4.5944 4.9297 4.9297 4.9459 4.9459 5.0193 5.0193 6.4209 6.4209 6.5245 6.5245 7.0072 7.0072 7.1729 7.1729 7.2151 7.2151 7.7540 7.7540 8.1129 8.1129 8.1875 8.1875 8.6011 8.6011 8.8215 8.8215 10.8371 10.8371 11.5365 11.5365 12.0045 12.0045 12.7972 12.7972 k = 0.0864 0.1497-0.0000 ( 3116 PWs) bands (ev): -31.6258 -31.6258 -12.9277 -12.9277 -12.5748 -12.5748 -12.5199 -12.5199 -4.8563 -4.8563 -4.0751 -4.0751 3.1847 3.1847 4.6026 4.6026 4.6298 4.6298 4.9318 4.9318 4.9443 4.9443 5.0205 5.0205 6.4219 6.4219 6.5243 6.5243 7.0164 7.0164 7.1814 7.1814 7.2194 7.2194 7.7936 7.7936 8.1467 8.1467 8.2323 8.2323 8.6408 8.6408 8.8353 8.8353 10.7740 10.7740 11.4913 11.4913 11.9807 11.9807 12.7636 12.7636 k = 0.0802 0.1390-0.0000 ( 3114 PWs) bands (ev): -31.6261 -31.6261 -12.9268 -12.9268 -12.5740 -12.5740 -12.5177 -12.5177 -4.8754 -4.8754 -4.0788 -4.0788 3.1601 3.1601 4.6428 4.6428 4.6638 4.6638 4.9331 4.9331 4.9430 4.9430 5.0216 5.0216 6.4228 6.4228 6.5245 6.5245 7.0250 7.0250 7.1893 7.1893 7.2231 7.2231 7.8344 7.8344 8.1743 8.1743 8.2839 8.2839 8.6787 8.6787 8.8473 8.8473 10.7091 10.7091 11.4465 11.4465 11.9562 11.9562 12.7048 12.7048 k = 0.0741 0.1283-0.0000 ( 3110 PWs) bands (ev): -31.6264 -31.6264 -12.9260 -12.9260 -12.5734 -12.5734 -12.5155 -12.5155 -4.8932 -4.8932 -4.0823 -4.0823 3.1368 3.1368 4.6812 4.6812 4.6963 4.6963 4.9333 4.9333 4.9422 4.9422 5.0227 5.0227 6.4234 6.4234 6.5249 6.5249 7.0332 7.0332 7.1968 7.1968 7.2265 7.2265 7.8763 7.8763 8.1975 8.1975 8.3404 8.3404 8.7145 8.7145 8.8573 8.8573 10.6428 10.6428 11.4031 11.4031 11.9311 11.9311 12.6344 12.6344 k = 0.0679 0.1176-0.0000 ( 3102 PWs) bands (ev): -31.6266 -31.6266 -12.9253 -12.9253 -12.5727 -12.5727 -12.5134 -12.5134 -4.9099 -4.9099 -4.0856 -4.0856 3.1149 3.1149 4.7174 4.7174 4.7271 4.7271 4.9326 4.9326 4.9421 4.9421 5.0237 5.0237 6.4238 6.4238 6.5257 6.5257 7.0409 7.0409 7.2036 7.2036 7.2294 7.2294 7.9190 7.9190 8.2177 8.2177 8.4001 8.4001 8.7479 8.7479 8.8652 8.8652 10.5753 10.5753 11.3621 11.3621 11.9057 11.9057 12.5666 12.5666 k = 0.0617 0.1069-0.0000 ( 3096 PWs) bands (ev): -31.6268 -31.6268 -12.9246 -12.9246 -12.5722 -12.5722 -12.5115 -12.5115 -4.9253 -4.9253 -4.0887 -4.0887 3.0946 3.0946 4.7509 4.7509 4.7565 4.7565 4.9313 4.9313 4.9422 4.9422 5.0246 5.0246 6.4241 6.4241 6.5266 6.5266 7.0480 7.0480 7.2100 7.2100 7.2320 7.2320 7.9621 7.9621 8.2357 8.2357 8.4618 8.4618 8.7782 8.7782 8.8708 8.8708 10.5070 10.5070 11.3244 11.3244 11.8802 11.8802 12.5033 12.5033 k = 0.0556 0.0962-0.0000 ( 3092 PWs) bands (ev): -31.6270 -31.6270 -12.9240 -12.9240 -12.5717 -12.5717 -12.5096 -12.5096 -4.9393 -4.9393 -4.0915 -4.0915 3.0760 3.0760 4.7801 4.7801 4.7853 4.7853 4.9299 4.9299 4.9423 4.9423 5.0254 5.0254 6.4243 6.4243 6.5277 6.5277 7.0545 7.0545 7.2157 7.2157 7.2341 7.2341 8.0052 8.0052 8.2519 8.2519 8.5248 8.5248 8.8048 8.8048 8.8745 8.8745 10.4385 10.4385 11.2907 11.2907 11.8550 11.8550 12.4452 12.4453 k = 0.0494 0.0855-0.0000 ( 3088 PWs) bands (ev): -31.6272 -31.6272 -12.9235 -12.9235 -12.5713 -12.5713 -12.5079 -12.5079 -4.9520 -4.9520 -4.0941 -4.0941 3.0591 3.0591 4.8051 4.8051 4.8133 4.8133 4.9285 4.9285 4.9423 4.9423 5.0260 5.0260 6.4244 6.4244 6.5287 6.5287 7.0604 7.0604 7.2208 7.2208 7.2359 7.2359 8.0476 8.0476 8.2668 8.2668 8.5881 8.5881 8.8262 8.8262 8.8773 8.8773 10.3703 10.3703 11.2615 11.2615 11.8305 11.8305 12.3930 12.3930 k = 0.0432 0.0748-0.0000 ( 3088 PWs) bands (ev): -31.6274 -31.6274 -12.9230 -12.9230 -12.5709 -12.5709 -12.5064 -12.5064 -4.9633 -4.9633 -4.0964 -4.0964 3.0440 3.0440 4.8272 4.8272 4.8387 4.8387 4.9273 4.9273 4.9422 4.9422 5.0265 5.0265 6.4244 6.4244 6.5298 6.5298 7.0657 7.0657 7.2253 7.2253 7.2373 7.2373 8.0885 8.0885 8.2807 8.2807 8.6508 8.6508 8.8396 8.8396 8.8824 8.8824 10.3032 10.3032 11.2372 11.2372 11.8071 11.8071 12.3469 12.3470 k = 0.0370 0.0642-0.0000 ( 3080 PWs) bands (ev): -31.6275 -31.6275 -12.9226 -12.9226 -12.5705 -12.5705 -12.5050 -12.5050 -4.9731 -4.9731 -4.0984 -4.0984 3.0308 3.0308 4.8466 4.8466 4.8610 4.8610 4.9266 4.9266 4.9420 4.9420 5.0268 5.0268 6.4244 6.4244 6.5308 6.5308 7.0704 7.0704 7.2293 7.2293 7.2385 7.2385 8.1269 8.1269 8.2941 8.2941 8.7115 8.7115 8.8425 8.8425 8.8923 8.8923 10.2385 10.2385 11.2177 11.2177 11.7855 11.7855 12.3071 12.3071 k = 0.0309 0.0535-0.0000 ( 3078 PWs) bands (ev): -31.6277 -31.6277 -12.9223 -12.9223 -12.5703 -12.5703 -12.5038 -12.5038 -4.9815 -4.9815 -4.1002 -4.1002 3.0195 3.0195 4.8632 4.8632 4.8797 4.8797 4.9266 4.9266 4.9417 4.9417 5.0269 5.0269 6.4244 6.4244 6.5317 6.5317 7.0744 7.0744 7.2326 7.2326 7.2395 7.2395 8.1614 8.1614 8.3073 8.3073 8.7681 8.7681 8.8386 8.8386 8.9044 8.9044 10.1775 10.1775 11.2029 11.2029 11.7661 11.7661 12.2733 12.2734 k = 0.0247 0.0428-0.0000 ( 3074 PWs) bands (ev): -31.6278 -31.6278 -12.9220 -12.9220 -12.5701 -12.5701 -12.5028 -12.5028 -4.9884 -4.9884 -4.1016 -4.1016 3.0103 3.0103 4.8767 4.8767 4.8947 4.8947 4.9273 4.9273 4.9415 4.9415 5.0269 5.0269 6.4243 6.4243 6.5324 6.5324 7.0777 7.0777 7.2354 7.2354 7.2402 7.2402 8.1906 8.1906 8.3206 8.3206 8.8119 8.8119 8.8386 8.8386 8.9158 8.9158 10.1222 10.1222 11.1924 11.1924 11.7494 11.7494 12.2455 12.2455 k = 0.0185 0.0321-0.0000 ( 3064 PWs) bands (ev): -31.6278 -31.6278 -12.9218 -12.9218 -12.5699 -12.5699 -12.5020 -12.5020 -4.9938 -4.9938 -4.1027 -4.1027 3.0030 3.0030 4.8867 4.8867 4.9061 4.9061 4.9285 4.9285 4.9416 4.9416 5.0269 5.0269 6.4243 6.4243 6.5331 6.5331 7.0803 7.0803 7.2375 7.2375 7.2409 7.2409 8.2132 8.2132 8.3338 8.3338 8.8140 8.8140 8.8716 8.8716 8.9253 8.9253 10.0748 10.0748 11.1853 11.1853 11.7359 11.7359 12.2230 12.2230 k = 0.0123 0.0214-0.0000 ( 3069 PWs) bands (ev): -31.6279 -31.6279 -12.9217 -12.9217 -12.5698 -12.5698 -12.5015 -12.5015 -4.9976 -4.9976 -4.1035 -4.1035 2.9978 2.9978 4.8933 4.8933 4.9145 4.9145 4.9292 4.9292 4.9424 4.9424 5.0267 5.0267 6.4243 6.4243 6.5335 6.5335 7.0821 7.0821 7.2390 7.2390 7.2413 7.2413 8.2287 8.2287 8.3457 8.3457 8.8064 8.8064 8.9046 8.9046 8.9328 8.9328 10.0381 10.0381 11.1810 11.1810 11.7259 11.7259 12.2054 12.2055 k = 0.0062 0.0107-0.0000 ( 3075 PWs) bands (ev): -31.6279 -31.6279 -12.9216 -12.9216 -12.5697 -12.5697 -12.5012 -12.5012 -4.9999 -4.9999 -4.1040 -4.1040 2.9947 2.9947 4.8967 4.8967 4.9207 4.9207 4.9281 4.9281 4.9435 4.9435 5.0266 5.0266 6.4243 6.4243 6.5338 6.5338 7.0832 7.0832 7.2398 7.2398 7.2416 7.2416 8.2376 8.2376 8.3542 8.3542 8.8004 8.8004 8.9243 8.9243 8.9391 8.9391 10.0147 10.0147 11.1787 11.1787 11.7198 11.7198 12.1934 12.1934 k = 0.0000 0.0000 0.0000 ( 3075 PWs) bands (ev): -31.6279 -31.6279 -12.9216 -12.9216 -12.5697 -12.5697 -12.5011 -12.5011 -5.0007 -5.0007 -4.1042 -4.1042 2.9937 2.9937 4.8978 4.8978 4.9248 4.9248 4.9257 4.9257 4.9441 4.9441 5.0266 5.0266 6.4242 6.4242 6.5339 6.5339 7.0835 7.0835 7.2401 7.2401 7.2417 7.2417 8.2405 8.2405 8.3573 8.3573 8.7982 8.7982 8.9297 8.9297 8.9428 8.9428 10.0066 10.0066 11.1780 11.1780 11.7178 11.7178 12.1890 12.1890 k = 0.0000 0.0000 0.0000 ( 3075 PWs) bands (ev): -31.6279 -31.6279 -12.9216 -12.9216 -12.5697 -12.5697 -12.5011 -12.5011 -5.0007 -5.0007 -4.1042 -4.1042 2.9937 2.9937 4.8978 4.8978 4.9248 4.9248 4.9257 4.9257 4.9441 4.9441 5.0266 5.0266 6.4242 6.4242 6.5339 6.5339 7.0835 7.0835 7.2401 7.2401 7.2417 7.2417 8.2405 8.2405 8.3573 8.3573 8.7982 8.7982 8.9297 8.9297 8.9428 8.9428 10.0066 10.0066 11.1780 11.1780 11.7178 11.7178 12.1890 12.1890 k = 0.0000 0.0000 0.0121 ( 3069 PWs) bands (ev): -31.6279 -31.6279 -12.9215 -12.9215 -12.5697 -12.5697 -12.5011 -12.5011 -5.0000 -5.0000 -4.1052 -4.1052 2.9956 2.9956 4.8932 4.8932 4.9181 4.9181 4.9303 4.9303 4.9508 4.9508 5.0246 5.0246 6.4245 6.4245 6.5342 6.5342 7.0836 7.0836 7.2399 7.2399 7.2415 7.2415 8.2408 8.2408 8.3574 8.3574 8.7935 8.7935 8.9286 8.9286 8.9419 8.9419 10.0144 10.0144 11.1774 11.1774 11.7194 11.7194 12.1900 12.1901 k = 0.0000 0.0000 0.0242 ( 3069 PWs) bands (ev): -31.6279 -31.6279 -12.9216 -12.9216 -12.5697 -12.5697 -12.5011 -12.5011 -4.9977 -4.9977 -4.1082 -4.1082 3.0012 3.0012 4.8837 4.8837 4.9064 4.9064 4.9400 4.9400 4.9625 4.9625 5.0187 5.0187 6.4252 6.4252 6.5351 6.5351 7.0834 7.0834 7.2393 7.2393 7.2410 7.2410 8.2416 8.2416 8.3576 8.3576 8.7797 8.7797 8.9252 8.9252 8.9391 8.9391 10.0374 10.0374 11.1754 11.1754 11.7243 11.7243 12.1927 12.1928 k = 0.0000 0.0000 0.0362 ( 3069 PWs) bands (ev): -31.6279 -31.6279 -12.9216 -12.9216 -12.5697 -12.5697 -12.5011 -12.5011 -4.9939 -4.9939 -4.1132 -4.1132 3.0107 3.0107 4.8729 4.8729 4.8940 4.8940 4.9511 4.9511 4.9747 4.9747 5.0090 5.0090 6.4264 6.4264 6.5365 6.5365 7.0830 7.0830 7.2384 7.2384 7.2401 7.2401 8.2430 8.2430 8.3579 8.3579 8.7580 8.7580 8.9197 8.9197 8.9344 8.9344 10.0741 10.0741 11.1722 11.1722 11.7324 11.7324 12.1971 12.1971 k = 0.0000 0.0000 0.0483 ( 3069 PWs) bands (ev): -31.6279 -31.6279 -12.9216 -12.9216 -12.5697 -12.5697 -12.5011 -12.5011 -4.9887 -4.9887 -4.1202 -4.1202 3.0238 3.0238 4.8618 4.8618 4.8816 4.8816 4.9627 4.9627 4.9840 4.9840 4.9984 4.9984 6.4280 6.4280 6.5386 6.5386 7.0826 7.0826 7.2370 7.2370 7.2388 7.2388 8.2449 8.2449 8.3583 8.3583 8.7301 8.7301 8.9121 8.9121 8.9281 8.9281 10.1226 10.1226 11.1680 11.1680 11.7438 11.7438 12.2029 12.2030 k = 0.0000 0.0000 0.0604 ( 3069 PWs) bands (ev): -31.6279 -31.6279 -12.9216 -12.9216 -12.5697 -12.5697 -12.5011 -12.5011 -4.9820 -4.9820 -4.1291 -4.1291 3.0406 3.0406 4.8506 4.8506 4.8693 4.8693 4.9733 4.9733 4.9743 4.9743 5.0039 5.0039 6.4300 6.4300 6.5411 6.5411 7.0820 7.0820 7.2354 7.2354 7.2373 7.2373 8.2473 8.2473 8.3589 8.3589 8.6977 8.6977 8.9024 8.9024 8.9202 8.9202 10.1807 10.1807 11.1629 11.1629 11.7587 11.7587 12.2100 12.2100 k = 0.0000 0.0000 0.0725 ( 3081 PWs) bands (ev): -31.6279 -31.6279 -12.9217 -12.9217 -12.5698 -12.5698 -12.5011 -12.5011 -4.9738 -4.9738 -4.1399 -4.1399 3.0610 3.0610 4.8396 4.8396 4.8572 4.8572 4.9520 4.9520 4.9859 4.9859 5.0159 5.0159 6.4323 6.4323 6.5441 6.5441 7.0812 7.0812 7.2333 7.2333 7.2353 7.2353 8.2503 8.2503 8.3595 8.3595 8.6626 8.6626 8.8910 8.8910 8.9109 8.9109 10.2461 10.2461 11.1573 11.1573 11.7770 11.7770 12.2177 12.2178 k = 0.0000 0.0000 0.0846 ( 3093 PWs) bands (ev): -31.6280 -31.6280 -12.9217 -12.9217 -12.5699 -12.5699 -12.5011 -12.5011 -4.9642 -4.9642 -4.1525 -4.1525 3.0848 3.0848 4.8289 4.8289 4.8453 4.8453 4.9263 4.9263 4.9972 4.9972 5.0282 5.0282 6.4351 6.4351 6.5476 6.5476 7.0805 7.0805 7.2308 7.2308 7.2330 7.2330 8.2539 8.2539 8.3602 8.3602 8.6262 8.6262 8.8777 8.8777 8.9002 8.9002 10.3168 10.3168 11.1514 11.1514 11.7993 11.7993 12.2259 12.2260 k = 0.0000 0.0000 0.0966 ( 3099 PWs) bands (ev): -31.6280 -31.6280 -12.9218 -12.9218 -12.5700 -12.5700 -12.5011 -12.5011 -4.9532 -4.9532 -4.1668 -4.1668 3.1122 3.1122 4.8184 4.8184 4.8337 4.8337 4.8968 4.8968 5.0084 5.0084 5.0405 5.0405 6.4381 6.4381 6.5514 6.5514 7.0799 7.0799 7.2282 7.2282 7.2306 7.2306 8.2580 8.2580 8.3609 8.3609 8.5896 8.5896 8.8630 8.8630 8.8884 8.8884 10.3905 10.3905 11.1457 11.1457 11.8256 11.8256 12.2342 12.2342 k = 0.0000 0.0000 0.1087 ( 3093 PWs) bands (ev): -31.6280 -31.6280 -12.9218 -12.9218 -12.5700 -12.5700 -12.5011 -12.5011 -4.9409 -4.9409 -4.1827 -4.1827 3.1428 3.1428 4.8084 4.8084 4.8221 4.8221 4.8643 4.8643 5.0192 5.0192 5.0524 5.0524 6.4415 6.4415 6.5557 6.5557 7.0795 7.0795 7.2254 7.2254 7.2280 7.2280 8.2626 8.2626 8.3616 8.3616 8.5538 8.5538 8.8469 8.8469 8.8756 8.8756 10.4655 10.4655 11.1405 11.1405 11.8566 11.8566 12.2421 12.2422 k = 0.0000 0.0000 0.1208 ( 3093 PWs) bands (ev): -31.6280 -31.6280 -12.9219 -12.9219 -12.5700 -12.5700 -12.5011 -12.5011 -4.9272 -4.9272 -4.2001 -4.2001 3.1766 3.1766 4.7988 4.7988 4.8084 4.8084 4.8307 4.8307 5.0297 5.0297 5.0641 5.0641 6.4452 6.4452 6.5603 6.5603 7.0790 7.0790 7.2223 7.2223 7.2252 7.2252 8.2678 8.2678 8.3620 8.3620 8.5196 8.5196 8.8296 8.8296 8.8622 8.8622 10.5395 10.5395 11.1362 11.1362 11.8927 11.8927 12.2494 12.2495 k = 0.0000 0.0000 0.1329 ( 3093 PWs) bands (ev): -31.6280 -31.6280 -12.9219 -12.9219 -12.5701 -12.5701 -12.5011 -12.5011 -4.9123 -4.9123 -4.2190 -4.2190 3.2134 3.2134 4.7806 4.7806 4.7896 4.7896 4.8083 4.8083 5.0398 5.0398 5.0753 5.0753 6.4489 6.4489 6.5651 6.5651 7.0786 7.0786 7.2191 7.2191 7.2223 7.2223 8.2735 8.2735 8.3621 8.3621 8.4876 8.4876 8.8115 8.8115 8.8481 8.8481 10.6107 10.6107 11.1336 11.1336 11.9346 11.9346 12.2558 12.2560 k = 0.0000 0.0000 0.1450 ( 3093 PWs) bands (ev): -31.6280 -31.6280 -12.9219 -12.9219 -12.5701 -12.5701 -12.5011 -12.5011 -4.8961 -4.8961 -4.2391 -4.2391 3.2531 3.2531 4.7395 4.7395 4.7809 4.7809 4.7967 4.7967 5.0494 5.0494 5.0860 5.0860 6.4529 6.4529 6.5701 6.5701 7.0783 7.0783 7.2158 7.2158 7.2192 7.2192 8.2798 8.2798 8.3613 8.3613 8.4587 8.4587 8.7926 8.7926 8.8338 8.8338 10.6770 10.6770 11.1333 11.1333 11.9828 11.9828 12.2612 12.2617 k = 0.0000 0.0000 0.1570 ( 3099 PWs) bands (ev): -31.6280 -31.6280 -12.9220 -12.9220 -12.5702 -12.5702 -12.5011 -12.5011 -4.8788 -4.8788 -4.2605 -4.2605 3.2955 3.2955 4.6937 4.6937 4.7727 4.7727 4.7872 4.7872 5.0585 5.0585 5.0961 5.0961 6.4569 6.4569 6.5752 6.5752 7.0781 7.0781 7.2125 7.2125 7.2161 7.2161 8.2865 8.2865 8.3587 8.3587 8.4338 8.4338 8.7731 8.7731 8.8193 8.8193 10.7363 10.7363 11.1360 11.1360 12.0380 12.0380 12.2655 12.2661 k = 0.0000 0.0000 0.1691 ( 3093 PWs) bands (ev): -31.6280 -31.6280 -12.9220 -12.9220 -12.5702 -12.5702 -12.5011 -12.5011 -4.8603 -4.8603 -4.2828 -4.2828 3.3406 3.3406 4.6451 4.6451 4.7652 4.7652 4.7788 4.7788 5.0671 5.0671 5.1057 5.1057 6.4609 6.4609 6.5803 6.5803 7.0782 7.0782 7.2091 7.2091 7.2130 7.2130 8.2937 8.2937 8.3529 8.3529 8.4148 8.4148 8.7535 8.7535 8.8048 8.8048 10.7869 10.7869 11.1425 11.1425 12.1006 12.1006 12.2688 12.2695 k = 0.0000 0.0000 0.1812 ( 3093 PWs) bands (ev): -31.6280 -31.6280 -12.9221 -12.9221 -12.5703 -12.5703 -12.5011 -12.5011 -4.8409 -4.8409 -4.3061 -4.3061 3.3879 3.3879 4.5939 4.5939 4.7581 4.7581 4.7712 4.7712 5.0750 5.0750 5.1146 5.1146 6.4648 6.4648 6.5854 6.5854 7.0783 7.0783 7.2058 7.2058 7.2100 7.2100 8.3013 8.3013 8.3425 8.3425 8.4030 8.4030 8.7338 8.7338 8.7907 8.7907 10.8276 10.8276 11.1533 11.1533 12.1707 12.1707 12.2712 12.2712 k = 0.0000 0.0000 0.1933 ( 3080 PWs) bands (ev): -31.6279 -31.6279 -12.9220 -12.9220 -12.5703 -12.5703 -12.5011 -12.5011 -4.8206 -4.8206 -4.3302 -4.3302 3.4375 3.4375 4.5407 4.5407 4.7517 4.7517 4.7642 4.7642 5.0823 5.0823 5.1227 5.1227 6.4686 6.4686 6.5903 6.5903 7.0788 7.0788 7.2026 7.2026 7.2071 7.2071 8.3093 8.3093 8.3286 8.3286 8.3973 8.3973 8.7143 8.7143 8.7771 8.7771 10.8583 10.8583 11.1679 11.1679 12.2471 12.2471 12.2738 12.2738 k = 0.0000 0.0000 0.2054 ( 3080 PWs) bands (ev): -31.6279 -31.6279 -12.9221 -12.9221 -12.5703 -12.5703 -12.5011 -12.5011 -4.7994 -4.7994 -4.3548 -4.3548 3.4889 3.4889 4.4855 4.4855 4.7459 4.7459 4.7579 4.7579 5.0890 5.0890 5.1302 5.1302 6.4722 6.4722 6.5950 6.5950 7.0792 7.0792 7.1995 7.1995 7.2042 7.2042 8.3136 8.3136 8.3175 8.3175 8.3951 8.3951 8.6952 8.6952 8.7642 8.7642 10.8800 10.8800 11.1852 11.1852 12.2720 12.2720 12.2780 12.2780 k = 0.0000 0.0000 0.2174 ( 3092 PWs) bands (ev): -31.6280 -31.6280 -12.9222 -12.9222 -12.5704 -12.5704 -12.5011 -12.5011 -4.7776 -4.7776 -4.3798 -4.3798 3.5419 3.5419 4.4290 4.4290 4.7407 4.7407 4.7523 4.7523 5.0949 5.0949 5.1369 5.1369 6.4755 6.4755 6.5993 6.5993 7.0796 7.0796 7.1965 7.1965 7.2014 7.2014 8.2991 8.2991 8.3257 8.3257 8.3946 8.3946 8.6770 8.6770 8.7523 8.7523 10.8946 10.8946 11.2035 11.2035 12.2724 12.2724 12.2769 12.2769 k = 0.0000 0.0000 0.2295 ( 3080 PWs) bands (ev): -31.6279 -31.6279 -12.9221 -12.9221 -12.5704 -12.5704 -12.5011 -12.5011 -4.7554 -4.7554 -4.4049 -4.4049 3.5961 3.5961 4.3715 4.3715 4.7362 4.7362 4.7475 4.7475 5.1001 5.1001 5.1427 5.1427 6.4787 6.4787 6.6035 6.6035 7.0803 7.0803 7.1939 7.1939 7.1991 7.1991 8.2861 8.2861 8.3340 8.3340 8.3951 8.3951 8.6599 8.6599 8.7414 8.7414 10.9039 10.9039 11.2214 11.2214 12.2721 12.2721 12.2755 12.2755 k = 0.0000 0.0000 0.2416 ( 3068 PWs) bands (ev): -31.6279 -31.6279 -12.9221 -12.9221 -12.5704 -12.5704 -12.5011 -12.5011 -4.7329 -4.7329 -4.4298 -4.4298 3.6511 3.6511 4.3137 4.3137 4.7324 4.7324 4.7434 4.7434 5.1046 5.1046 5.1477 5.1477 6.4815 6.4815 6.6070 6.6070 7.0809 7.0809 7.1917 7.1917 7.1970 7.1970 8.2750 8.2750 8.3420 8.3420 8.3960 8.3960 8.6442 8.6442 8.7319 8.7319 10.9096 10.9096 11.2375 11.2375 12.2716 12.2716 12.2741 12.2741 k = 0.0000 0.0000 0.2537 ( 3068 PWs) bands (ev): -31.6279 -31.6279 -12.9221 -12.9221 -12.5704 -12.5704 -12.5011 -12.5011 -4.7108 -4.7108 -4.4541 -4.4541 3.7061 3.7061 4.2563 4.2563 4.7292 4.7292 4.7401 4.7401 5.1083 5.1083 5.1519 5.1519 6.4837 6.4837 6.6100 6.6100 7.0814 7.0814 7.1897 7.1897 7.1951 7.1951 8.2657 8.2657 8.3493 8.3493 8.3969 8.3969 8.6303 8.6303 8.7238 8.7238 10.9130 10.9130 11.2513 11.2513 12.2710 12.2710 12.2727 12.2727 k = 0.0000 0.0000 0.2658 ( 3068 PWs) bands (ev): -31.6279 -31.6279 -12.9221 -12.9221 -12.5704 -12.5704 -12.5011 -12.5011 -4.6897 -4.6897 -4.4769 -4.4769 3.7597 3.7597 4.2007 4.2007 4.7267 4.7267 4.7374 4.7374 5.1111 5.1111 5.1551 5.1551 6.4855 6.4855 6.6124 6.6124 7.0819 7.0819 7.1881 7.1881 7.1937 7.1937 8.2585 8.2585 8.3557 8.3557 8.3978 8.3978 8.6188 8.6188 8.7173 8.7173 10.9149 10.9149 11.2621 11.2621 12.2703 12.2703 12.2715 12.2715 k = 0.0000 0.0000 0.2778 ( 3074 PWs) bands (ev): -31.6279 -31.6279 -12.9222 -12.9222 -12.5705 -12.5705 -12.5011 -12.5011 -4.6710 -4.6710 -4.4968 -4.4968 3.8091 3.8091 4.1498 4.1498 4.7250 4.7250 4.7355 4.7355 5.1132 5.1132 5.1574 5.1574 6.4868 6.4868 6.6140 6.6140 7.0821 7.0821 7.1870 7.1870 7.1926 7.1926 8.2534 8.2534 8.3606 8.3606 8.3985 8.3985 8.6101 8.6101 8.7126 8.7126 10.9159 10.9159 11.2699 11.2699 12.2698 12.2698 12.2706 12.2706 k = 0.0000 0.0000 0.2899 ( 3050 PWs) bands (ev): -31.6279 -31.6279 -12.9221 -12.9221 -12.5704 -12.5704 -12.5010 -12.5010 -4.6572 -4.6572 -4.5113 -4.5113 3.8481 3.8481 4.1099 4.1099 4.7240 4.7240 4.7344 4.7344 5.1145 5.1145 5.1589 5.1589 6.4877 6.4877 6.6152 6.6152 7.0824 7.0824 7.1865 7.1865 7.1921 7.1921 8.2503 8.2503 8.3639 8.3639 8.3990 8.3990 8.6047 8.6047 8.7098 8.7098 10.9164 10.9164 11.2747 11.2747 12.2695 12.2695 12.2700 12.2700 k = 0.0000 0.0000 0.3020 ( 3050 PWs) bands (ev): -31.6279 -31.6279 -12.9221 -12.9221 -12.5704 -12.5704 -12.5010 -12.5010 -4.6519 -4.6519 -4.5168 -4.5168 3.8642 3.8642 4.0935 4.0935 4.7236 4.7236 4.7341 4.7341 5.1150 5.1150 5.1594 5.1594 6.4880 6.4880 6.6156 6.6156 7.0824 7.0824 7.1862 7.1862 7.1919 7.1919 8.2493 8.2493 8.3650 8.3650 8.3992 8.3992 8.6029 8.6029 8.7088 8.7088 10.9165 10.9165 11.2762 11.2762 12.2694 12.2694 12.2698 12.2698 k = 0.0000 0.0000 0.3020 ( 3050 PWs) bands (ev): -31.6279 -31.6279 -12.9221 -12.9221 -12.5704 -12.5704 -12.5010 -12.5010 -4.6519 -4.6519 -4.5168 -4.5168 3.8642 3.8642 4.0935 4.0935 4.7236 4.7236 4.7341 4.7341 5.1150 5.1150 5.1594 5.1594 6.4880 6.4880 6.6156 6.6156 7.0824 7.0824 7.1862 7.1862 7.1919 7.1919 8.2493 8.2493 8.3650 8.3650 8.3992 8.3992 8.6029 8.6029 8.7088 8.7088 10.9165 10.9165 11.2762 11.2762 12.2694 12.2694 12.2698 12.2698 k = 0.0106 0.0061 0.3020 ( 3058 PWs) bands (ev): -31.6279 -31.6279 -12.9222 -12.9222 -12.5705 -12.5705 -12.5012 -12.5012 -4.6515 -4.6515 -4.5162 -4.5162 3.8644 3.8644 4.0912 4.0912 4.7244 4.7244 4.7350 4.7350 5.1143 5.1143 5.1586 5.1586 6.4877 6.4877 6.6152 6.6152 7.0820 7.0820 7.1862 7.1862 7.1919 7.1919 8.2492 8.2492 8.3639 8.3639 8.3982 8.3982 8.5998 8.5998 8.7059 8.7059 10.9228 10.9228 11.2772 11.2772 12.2692 12.2692 12.2719 12.2719 k = 0.0213 0.0123 0.3020 ( 3074 PWs) bands (ev): -31.6279 -31.6279 -12.9223 -12.9223 -12.5706 -12.5706 -12.5016 -12.5016 -4.6502 -4.6502 -4.5144 -4.5144 3.8649 3.8649 4.0845 4.0845 4.7263 4.7263 4.7381 4.7381 5.1122 5.1122 5.1565 5.1565 6.4871 6.4871 6.6141 6.6141 7.0806 7.0806 7.1861 7.1861 7.1922 7.1922 8.2491 8.2491 8.3604 8.3604 8.3956 8.3956 8.5905 8.5905 8.6977 8.6977 10.9413 10.9413 11.2804 11.2804 12.2681 12.2681 12.2786 12.2786 k = 0.0319 0.0184 0.3020 ( 3070 PWs) bands (ev): -31.6278 -31.6278 -12.9224 -12.9224 -12.5707 -12.5707 -12.5021 -12.5021 -4.6481 -4.6481 -4.5113 -4.5113 3.8657 3.8657 4.0734 4.0734 4.7287 4.7287 4.7440 4.7440 5.1084 5.1084 5.1534 5.1534 6.4862 6.4862 6.6124 6.6124 7.0784 7.0784 7.1860 7.1860 7.1929 7.1929 8.2489 8.2489 8.3541 8.3541 8.3920 8.3920 8.5748 8.5748 8.6851 8.6851 10.9712 10.9712 11.2857 11.2857 12.2657 12.2657 12.2898 12.2898 k = 0.0426 0.0246 0.3020 ( 3070 PWs) bands (ev): -31.6278 -31.6278 -12.9226 -12.9226 -12.5708 -12.5708 -12.5028 -12.5028 -4.6452 -4.6452 -4.5071 -4.5071 3.8668 3.8668 4.0585 4.0585 4.7311 4.7311 4.7528 4.7528 5.1024 5.1024 5.1500 5.1500 6.4849 6.4849 6.6100 6.6100 7.0755 7.0755 7.1857 7.1857 7.1939 7.1939 8.2485 8.2485 8.3442 8.3442 8.3881 8.3881 8.5523 8.5523 8.6694 8.6694 11.0113 11.0113 11.2937 11.2937 12.2616 12.2616 12.3053 12.3053 k = 0.0532 0.0307 0.3020 ( 3072 PWs) bands (ev): -31.6276 -31.6276 -12.9229 -12.9229 -12.5710 -12.5710 -12.5038 -12.5038 -4.6415 -4.6415 -4.5017 -4.5017 3.8681 3.8681 4.0400 4.0400 4.7336 4.7336 4.7637 4.7637 5.0936 5.0936 5.1468 5.1468 6.4834 6.4834 6.6070 6.6070 7.0720 7.0720 7.1851 7.1851 7.1950 7.1950 8.2476 8.2476 8.3308 8.3308 8.3840 8.3840 8.5232 8.5232 8.6519 8.6519 11.0596 11.0596 11.3048 11.3048 12.2550 12.2550 12.3250 12.3250 k = 0.0638 0.0369 0.3020 ( 3076 PWs) bands (ev): -31.6275 -31.6275 -12.9232 -12.9232 -12.5713 -12.5713 -12.5050 -12.5050 -4.6369 -4.6369 -4.4952 -4.4952 3.8694 3.8694 4.0186 4.0186 4.7364 4.7364 4.7764 4.7764 5.0819 5.0819 5.1441 5.1441 6.4815 6.4815 6.6035 6.6035 7.0680 7.0680 7.1841 7.1841 7.1963 7.1963 8.2458 8.2458 8.3143 8.3143 8.3793 8.3793 8.4886 8.4886 8.6332 8.6332 11.1134 11.1134 11.3205 11.3205 12.2453 12.2453 12.3485 12.3485 k = 0.0745 0.0430 0.3020 ( 3070 PWs) bands (ev): -31.6274 -31.6274 -12.9235 -12.9235 -12.5716 -12.5716 -12.5063 -12.5063 -4.6315 -4.6315 -4.4875 -4.4875 3.8707 3.8707 3.9945 3.9945 4.7397 4.7397 4.7902 4.7902 5.0675 5.0675 5.1421 5.1421 6.4793 6.4793 6.5994 6.5994 7.0637 7.0637 7.1829 7.1829 7.1976 7.1976 8.2421 8.2421 8.2959 8.2959 8.3731 8.3731 8.4504 8.4504 8.6138 8.6138 11.1685 11.1685 11.3431 11.3431 12.2321 12.2321 12.3758 12.3758 k = 0.0851 0.0491 0.3020 ( 3068 PWs) bands (ev): -31.6272 -31.6272 -12.9240 -12.9240 -12.5719 -12.5719 -12.5078 -12.5078 -4.6253 -4.6253 -4.4787 -4.4787 3.8717 3.8717 3.9683 3.9683 4.7433 4.7433 4.8048 4.8048 5.0505 5.0505 5.1405 5.1405 6.4768 6.4768 6.5948 6.5948 7.0591 7.0591 7.1814 7.1814 7.1986 7.1986 8.2343 8.2343 8.2773 8.2773 8.3623 8.3623 8.4131 8.4131 8.5942 8.5942 11.2189 11.2189 11.3771 11.3771 12.2151 12.2151 12.4065 12.4065 k = 0.0957 0.0553 0.3020 ( 3080 PWs) bands (ev): -31.6270 -31.6270 -12.9245 -12.9245 -12.5724 -12.5724 -12.5095 -12.5095 -4.6184 -4.6184 -4.4688 -4.4688 3.8721 3.8721 3.9405 3.9405 4.7473 4.7473 4.8196 4.8196 5.0317 5.0317 5.1393 5.1393 6.4740 6.4740 6.5898 6.5898 7.0544 7.0544 7.1795 7.1795 7.1993 7.1993 8.2194 8.2194 8.2602 8.2602 8.3401 8.3401 8.3858 8.3858 8.5745 8.5745 11.2591 11.2591 11.4260 11.4260 12.1949 12.1949 12.4403 12.4403 k = 0.1064 0.0614 0.3020 ( 3084 PWs) bands (ev): -31.6268 -31.6268 -12.9251 -12.9251 -12.5729 -12.5729 -12.5113 -12.5113 -4.6107 -4.6107 -4.4580 -4.4580 3.8714 3.8714 3.9117 3.9117 4.7517 4.7517 4.8343 4.8343 5.0113 5.0113 5.1383 5.1383 6.4710 6.4710 6.5845 6.5845 7.0497 7.0497 7.1772 7.1772 7.1996 7.1996 8.1967 8.1967 8.2406 8.2406 8.3103 8.3103 8.3703 8.3703 8.5554 8.5554 11.2889 11.2889 11.4878 11.4878 12.1725 12.1725 12.4769 12.4769 k = 0.1170 0.0676 0.3020 ( 3092 PWs) bands (ev): -31.6266 -31.6266 -12.9257 -12.9257 -12.5734 -12.5734 -12.5133 -12.5133 -4.6023 -4.6023 -4.4461 -4.4461 3.8658 3.8658 3.8858 3.8858 4.7565 4.7565 4.8485 4.8485 4.9901 4.9901 5.1374 5.1374 6.4679 6.4679 6.5789 6.5789 7.0451 7.0451 7.1745 7.1745 7.1994 7.1994 8.1686 8.1686 8.2092 8.2092 8.2893 8.2893 8.3575 8.3575 8.5375 8.5375 11.3120 11.3120 11.5562 11.5562 12.1496 12.1496 12.5160 12.5160 k = 0.1277 0.0737 0.3020 ( 3094 PWs) bands (ev): -31.6264 -31.6264 -12.9264 -12.9264 -12.5740 -12.5740 -12.5153 -12.5153 -4.5932 -4.5932 -4.4333 -4.4333 3.8428 3.8428 3.8752 3.8752 4.7617 4.7617 4.8615 4.8615 4.9689 4.9689 5.1367 5.1367 6.4646 6.4646 6.5731 6.5731 7.0406 7.0406 7.1714 7.1714 7.1987 7.1987 8.1359 8.1359 8.1681 8.1681 8.2784 8.2784 8.3438 8.3438 8.5216 8.5216 11.3311 11.3311 11.6248 11.6248 12.1294 12.1294 12.5572 12.5572 k = 0.1383 0.0798 0.3020 ( 3094 PWs) bands (ev): -31.6261 -31.6261 -12.9272 -12.9272 -12.5747 -12.5747 -12.5174 -12.5174 -4.5835 -4.5835 -4.4196 -4.4196 3.8115 3.8115 3.8708 3.8708 4.7673 4.7673 4.8721 4.8721 4.9491 4.9491 5.1359 5.1359 6.4611 6.4611 6.5673 6.5673 7.0364 7.0364 7.1679 7.1679 7.1975 7.1975 8.0967 8.0967 8.1267 8.1267 8.2711 8.2711 8.3283 8.3283 8.5080 8.5080 11.3476 11.3476 11.6874 11.6874 12.1163 12.1163 12.6001 12.6001 k = 0.1489 0.0860 0.3020 ( 3090 PWs) bands (ev): -31.6258 -31.6258 -12.9280 -12.9280 -12.5754 -12.5754 -12.5195 -12.5195 -4.5731 -4.5731 -4.4051 -4.4051 3.7786 3.7786 3.8660 3.8660 4.7733 4.7733 4.8771 4.8771 4.9344 4.9344 5.1352 5.1352 6.4577 6.4577 6.5614 6.5614 7.0324 7.0324 7.1639 7.1639 7.1957 7.1957 8.0505 8.0505 8.0897 8.0897 8.2629 8.2629 8.3122 8.3122 8.4970 8.4970 11.3614 11.3614 11.7374 11.7374 12.1164 12.1164 12.6445 12.6445 k = 0.1596 0.0921 0.3020 ( 3090 PWs) bands (ev): -31.6255 -31.6255 -12.9289 -12.9289 -12.5763 -12.5763 -12.5216 -12.5216 -4.5621 -4.5621 -4.3898 -4.3898 3.7448 3.7448 3.8595 3.8595 4.7796 4.7796 4.8717 4.8717 4.9298 4.9298 5.1344 5.1344 6.4541 6.4541 6.5556 6.5556 7.0286 7.0286 7.1593 7.1593 7.1933 7.1933 8.0008 8.0008 8.0553 8.0553 8.2497 8.2497 8.2985 8.2985 8.4885 8.4885 11.3720 11.3720 11.7697 11.7697 12.1349 12.1349 12.6900 12.6900 k = 0.1702 0.0983 0.3020 ( 3092 PWs) bands (ev): -31.6253 -31.6253 -12.9299 -12.9299 -12.5772 -12.5772 -12.5238 -12.5238 -4.5505 -4.5505 -4.3739 -4.3739 3.7107 3.7107 3.8511 3.8511 4.7861 4.7861 4.8575 4.8575 4.9343 4.9343 5.1336 5.1336 6.4506 6.4506 6.5498 6.5498 7.0252 7.0252 7.1540 7.1540 7.1903 7.1903 7.9503 7.9503 8.0218 8.0218 8.2292 8.2292 8.2895 8.2895 8.4822 8.4822 11.3783 11.3783 11.7849 11.7849 12.1717 12.1717 12.7361 12.7362 k = 0.1809 0.1044 0.3020 ( 3104 PWs) bands (ev): -31.6250 -31.6250 -12.9310 -12.9310 -12.5782 -12.5782 -12.5260 -12.5260 -4.5384 -4.5384 -4.3572 -4.3572 3.6762 3.6762 3.8402 3.8402 4.7929 4.7929 4.8404 4.8404 4.9421 4.9421 5.1327 5.1327 6.4471 6.4471 6.5443 6.5443 7.0219 7.0219 7.1480 7.1480 7.1867 7.1867 7.9003 7.9003 7.9888 7.9888 8.2028 8.2028 8.2839 8.2839 8.4775 8.4775 11.3792 11.3792 11.7895 11.7895 12.2207 12.2207 12.7827 12.7848 k = 0.1915 0.1106 0.3020 ( 3096 PWs) bands (ev): -31.6246 -31.6246 -12.9321 -12.9321 -12.5793 -12.5793 -12.5281 -12.5281 -4.5259 -4.5259 -4.3400 -4.3400 3.6416 3.6416 3.8269 3.8269 4.7996 4.7996 4.8239 4.8239 4.9507 4.9507 5.1317 5.1317 6.4437 6.4437 6.5391 6.5391 7.0191 7.0191 7.1414 7.1414 7.1827 7.1827 7.8514 7.8514 7.9563 7.9563 8.1727 8.1727 8.2800 8.2800 8.4741 8.4741 11.3737 11.3737 11.7912 11.7912 12.2743 12.2743 12.8311 12.8316 k = 0.2021 0.1167 0.3020 ( 3096 PWs) bands (ev): -31.6243 -31.6243 -12.9333 -12.9333 -12.5805 -12.5805 -12.5301 -12.5301 -4.5129 -4.5129 -4.3223 -4.3223 3.6069 3.6069 3.8109 3.8109 4.8025 4.8025 4.8128 4.8128 4.9591 4.9591 5.1306 5.1306 6.4403 6.4403 6.5341 6.5341 7.0164 7.0164 7.1339 7.1339 7.1782 7.1782 7.8040 7.8040 7.9243 7.9243 8.1402 8.1402 8.2768 8.2768 8.4718 8.4718 11.3614 11.3614 11.7949 11.7949 12.3269 12.3269 12.8118 12.8118 k = 0.2128 0.1228 0.3020 ( 3100 PWs) bands (ev): -31.6240 -31.6240 -12.9345 -12.9345 -12.5818 -12.5818 -12.5320 -12.5320 -4.4996 -4.4996 -4.3041 -4.3041 3.5723 3.5723 3.7922 3.7922 4.7923 4.7923 4.8170 4.8170 4.9669 4.9669 5.1294 5.1294 6.4371 6.4371 6.5295 6.5295 7.0140 7.0140 7.1255 7.1255 7.1735 7.1735 7.7584 7.7584 7.8927 7.8927 8.1061 8.1061 8.2736 8.2736 8.4702 8.4702 11.3429 11.3429 11.8030 11.8030 12.3740 12.3740 12.7894 12.7894 k = 0.2234 0.1290 0.3020 ( 3108 PWs) bands (ev): -31.6236 -31.6236 -12.9359 -12.9359 -12.5833 -12.5833 -12.5339 -12.5339 -4.4859 -4.4859 -4.2856 -4.2856 3.5376 3.5376 3.7709 3.7709 4.7814 4.7814 4.8245 4.8245 4.9739 4.9739 5.1280 5.1280 6.4340 6.4340 6.5253 6.5253 7.0116 7.0116 7.1162 7.1162 7.1685 7.1685 7.7147 7.7147 7.8616 7.8616 8.0711 8.0711 8.2703 8.2703 8.4691 8.4691 11.3192 11.3192 11.8159 11.8159 12.4125 12.4125 12.7657 12.7657 k = 0.2340 0.1351 0.3020 ( 3108 PWs) bands (ev): -31.6233 -31.6233 -12.9372 -12.9372 -12.5848 -12.5848 -12.5356 -12.5356 -4.4720 -4.4720 -4.2668 -4.2668 3.5031 3.5031 3.7470 3.7470 4.7727 4.7727 4.8325 4.8325 4.9801 4.9801 5.1266 5.1266 6.4311 6.4311 6.5216 6.5216 7.0093 7.0093 7.1060 7.1060 7.1634 7.1634 7.6733 7.6733 7.8311 7.8311 8.0353 8.0353 8.2669 8.2669 8.4685 8.4685 11.2920 11.2920 11.8331 11.8331 12.4400 12.4400 12.7415 12.7416 k = 0.2447 0.1413 0.3020 ( 3112 PWs) bands (ev): -31.6229 -31.6229 -12.9387 -12.9387 -12.5864 -12.5864 -12.5372 -12.5372 -4.4578 -4.4578 -4.2477 -4.2477 3.4687 3.4687 3.7210 3.7210 4.7665 4.7665 4.8407 4.8407 4.9854 4.9854 5.1249 5.1249 6.4284 6.4284 6.5185 6.5185 7.0068 7.0068 7.0951 7.0951 7.1583 7.1583 7.6343 7.6343 7.8011 7.8011 7.9990 7.9990 8.2631 8.2631 8.4682 8.4682 11.2628 11.2628 11.8535 11.8535 12.4547 12.4547 12.7181 12.7181 k = 0.2553 0.1474 0.3020 ( 3114 PWs) bands (ev): -31.6226 -31.6226 -12.9401 -12.9401 -12.5882 -12.5882 -12.5386 -12.5386 -4.4436 -4.4436 -4.2286 -4.2286 3.4345 3.4345 3.6931 3.6931 4.7625 4.7625 4.8491 4.8491 4.9899 4.9899 5.1232 5.1232 6.4259 6.4259 6.5158 6.5158 7.0038 7.0038 7.0835 7.0835 7.1532 7.1532 7.5977 7.5977 7.7718 7.7718 7.9625 7.9625 8.2589 8.2589 8.4682 8.4682 11.2328 11.2328 11.8761 11.8761 12.4558 12.4558 12.6970 12.6970 k = 0.2660 0.1536 0.3020 ( 3122 PWs) bands (ev): -31.6222 -31.6222 -12.9417 -12.9417 -12.5900 -12.5900 -12.5399 -12.5399 -4.4292 -4.4292 -4.2094 -4.2094 3.4004 3.4004 3.6637 3.6637 4.7608 4.7608 4.8577 4.8577 4.9935 4.9935 5.1213 5.1213 6.4237 6.4237 6.5137 6.5137 7.0001 7.0001 7.0716 7.0716 7.1484 7.1484 7.5639 7.5639 7.7430 7.7430 7.9259 7.9259 8.2544 8.2544 8.4683 8.4683 11.2028 11.2028 11.8999 11.8999 12.4439 12.4439 12.6796 12.6796 k = 0.2766 0.1597 0.3020 ( 3120 PWs) bands (ev): -31.6219 -31.6219 -12.9432 -12.9432 -12.5918 -12.5918 -12.5410 -12.5410 -4.4148 -4.4148 -4.1902 -4.1902 3.3665 3.3665 3.6333 3.6333 4.7610 4.7610 4.8663 4.8663 4.9964 4.9964 5.1192 5.1192 6.4218 6.4218 6.5122 6.5122 6.9951 6.9951 7.0600 7.0600 7.1438 7.1438 7.5327 7.5327 7.7150 7.7150 7.8895 7.8895 8.2497 8.2497 8.4686 8.4686 11.1738 11.1738 11.9238 11.9238 12.4207 12.4207 12.6666 12.6666 k = 0.2872 0.1658 0.3020 ( 3114 PWs) bands (ev): -31.6216 -31.6216 -12.9448 -12.9448 -12.5937 -12.5937 -12.5420 -12.5420 -4.4005 -4.4005 -4.1712 -4.1712 3.3328 3.3328 3.6024 3.6024 4.7630 4.7630 4.8750 4.8750 4.9985 4.9985 5.1171 5.1171 6.4201 6.4201 6.5114 6.5114 6.9882 6.9882 7.0493 7.0493 7.1397 7.1397 7.5042 7.5042 7.6875 7.6875 7.8533 7.8533 8.2446 8.2446 8.4689 8.4689 11.1461 11.1461 11.9470 11.9470 12.3891 12.3891 12.6581 12.6581 k = 0.2979 0.1720 0.3020 ( 3106 PWs) bands (ev): -31.6212 -31.6212 -12.9463 -12.9463 -12.5956 -12.5956 -12.5429 -12.5429 -4.3863 -4.3863 -4.1523 -4.1523 3.2993 3.2993 3.5713 3.5713 4.7665 4.7665 4.8838 4.8838 4.9999 4.9999 5.1148 5.1148 6.4187 6.4187 6.5112 6.5112 6.9791 6.9791 7.0399 7.0399 7.1361 7.1361 7.4784 7.4784 7.6608 7.6608 7.8175 7.8175 8.2393 8.2393 8.4694 8.4694 11.1200 11.1200 11.9685 11.9685 12.3518 12.3518 12.6542 12.6542 k = 0.3085 0.1781 0.3020 ( 3110 PWs) bands (ev): -31.6209 -31.6209 -12.9480 -12.9480 -12.5975 -12.5975 -12.5437 -12.5437 -4.3722 -4.3722 -4.1338 -4.1338 3.2660 3.2660 3.5406 3.5406 4.7712 4.7712 4.8925 4.8925 5.0007 5.0007 5.1123 5.1123 6.4176 6.4176 6.5114 6.5114 6.9674 6.9674 7.0320 7.0320 7.1329 7.1329 7.4550 7.4550 7.6348 7.6348 7.7820 7.7820 8.2338 8.2338 8.4699 8.4699 11.0958 11.0958 11.9875 11.9875 12.3110 12.3110 12.6551 12.6551 k = 0.3191 0.1843 0.3020 ( 3110 PWs) bands (ev): -31.6206 -31.6206 -12.9496 -12.9496 -12.5995 -12.5995 -12.5444 -12.5444 -4.3584 -4.3584 -4.1156 -4.1156 3.2331 3.2331 3.5105 3.5105 4.7768 4.7768 4.9012 4.9012 5.0009 5.0009 5.1097 5.1097 6.4168 6.4168 6.5122 6.5122 6.9538 6.9538 7.0255 7.0255 7.1303 7.1303 7.4340 7.4340 7.6097 7.6097 7.7472 7.7472 8.2281 8.2281 8.4704 8.4704 11.0734 11.0734 12.0034 12.0034 12.2686 12.2686 12.6610 12.6610 k = 0.3298 0.1904 0.3020 ( 3110 PWs) bands (ev): -31.6203 -31.6203 -12.9511 -12.9511 -12.6014 -12.6014 -12.5449 -12.5449 -4.3450 -4.3450 -4.0980 -4.0980 3.2005 3.2005 3.4815 3.4815 4.7832 4.7832 4.9099 4.9099 5.0006 5.0006 5.1069 5.1069 6.4162 6.4162 6.5136 6.5136 6.9389 6.9389 7.0197 7.0197 7.1285 7.1285 7.4154 7.4154 7.5854 7.5854 7.7131 7.7131 8.2224 8.2224 8.4710 8.4710 11.0529 11.0529 12.0154 12.0154 12.2259 12.2259 12.6724 12.6724 k = 0.3404 0.1965 0.3020 ( 3112 PWs) bands (ev): -31.6200 -31.6200 -12.9527 -12.9527 -12.6032 -12.6032 -12.5454 -12.5454 -4.3319 -4.3319 -4.0808 -4.0808 3.1686 3.1686 3.4538 3.4538 4.7900 4.7900 4.9184 4.9184 4.9999 4.9999 5.1040 5.1040 6.4159 6.4159 6.5154 6.5154 6.9234 6.9234 7.0142 7.0142 7.1274 7.1274 7.3988 7.3988 7.5621 7.5621 7.6797 7.6797 8.2167 8.2167 8.4715 8.4715 11.0343 11.0343 12.0235 12.0235 12.1840 12.1840 12.6894 12.6894 k = 0.3511 0.2027 0.3020 ( 3112 PWs) bands (ev): -31.6197 -31.6197 -12.9542 -12.9542 -12.6050 -12.6050 -12.5458 -12.5458 -4.3193 -4.3193 -4.0643 -4.0643 3.1373 3.1373 3.4276 3.4276 4.7972 4.7972 4.9267 4.9267 4.9989 4.9989 5.1010 5.1010 6.4159 6.4159 6.5176 6.5176 6.9078 6.9078 7.0087 7.0087 7.1272 7.1272 7.3840 7.3840 7.5400 7.5400 7.6472 7.6472 8.2110 8.2110 8.4721 8.4721 11.0175 11.0175 12.0275 12.0275 12.1435 12.1435 12.7120 12.7120 k = 0.3617 0.2088 0.3020 ( 3110 PWs) bands (ev): -31.6194 -31.6194 -12.9557 -12.9557 -12.6067 -12.6067 -12.5461 -12.5461 -4.3072 -4.3072 -4.0486 -4.0486 3.1069 3.1069 3.4031 3.4031 4.8044 4.8044 4.9350 4.9350 4.9975 4.9975 5.0979 5.0979 6.4160 6.4160 6.5202 6.5202 6.8926 6.8926 7.0030 7.0030 7.1278 7.1278 7.3710 7.3710 7.5190 7.5190 7.6158 7.6158 8.2054 8.2054 8.4726 8.4726 11.0022 11.0022 12.0276 12.0276 12.1053 12.1053 12.7399 12.7399 k = 0.3723 0.2150 0.3020 ( 3122 PWs) bands (ev): -31.6191 -31.6191 -12.9572 -12.9572 -12.6084 -12.6084 -12.5465 -12.5465 -4.2958 -4.2958 -4.0336 -4.0336 3.0776 3.0776 3.3803 3.3803 4.8116 4.8116 4.9429 4.9429 4.9960 4.9960 5.0946 5.0946 6.4163 6.4163 6.5230 6.5230 6.8781 6.8781 6.9969 6.9969 7.1292 7.1292 7.3591 7.3591 7.4992 7.4992 7.5856 7.5856 8.1999 8.1999 8.4731 8.4731 10.9883 10.9883 12.0243 12.0243 12.0698 12.0698 12.7725 12.7725 k = 0.3830 0.2211 0.3020 ( 3130 PWs) bands (ev): -31.6189 -31.6189 -12.9586 -12.9586 -12.6100 -12.6100 -12.5467 -12.5467 -4.2849 -4.2849 -4.0195 -4.0195 3.0497 3.0497 3.3593 3.3593 4.8186 4.8186 4.9506 4.9506 4.9943 4.9943 5.0912 5.0912 6.4168 6.4168 6.5260 6.5260 6.8644 6.8644 6.9905 6.9905 7.1316 7.1316 7.3484 7.3484 7.4806 7.4806 7.5569 7.5569 8.1947 8.1947 8.4736 8.4736 10.9758 10.9758 12.0173 12.0173 12.0384 12.0384 12.8092 12.8092 k = 0.3936 0.2273 0.3020 ( 3132 PWs) bands (ev): -31.6187 -31.6187 -12.9598 -12.9598 -12.6114 -12.6114 -12.5469 -12.5469 -4.2748 -4.2748 -4.0064 -4.0064 3.0232 3.0232 3.3403 3.3403 4.8254 4.8254 4.9581 4.9581 4.9926 4.9926 5.0878 5.0878 6.4174 6.4174 6.5291 6.5291 6.8519 6.8519 6.9838 6.9838 7.1350 7.1350 7.3387 7.3387 7.4631 7.4631 7.5302 7.5302 8.1897 8.1897 8.4741 8.4741 10.9645 10.9645 12.0020 12.0020 12.0164 12.0164 12.8493 12.8493 k = 0.4043 0.2334 0.3020 ( 3128 PWs) bands (ev): -31.6185 -31.6185 -12.9610 -12.9610 -12.6127 -12.6127 -12.5470 -12.5470 -4.2655 -4.2655 -3.9942 -3.9942 2.9986 2.9986 3.3231 3.3231 4.8317 4.8317 4.9651 4.9651 4.9910 4.9910 5.0844 5.0844 6.4181 6.4181 6.5322 6.5322 6.8409 6.8409 6.9769 6.9769 7.1393 7.1393 7.3298 7.3298 7.4464 7.4464 7.5059 7.5059 8.1850 8.1850 8.4746 8.4746 10.9543 10.9543 11.9784 11.9784 12.0044 12.0044 12.8917 12.8917 k = 0.4149 0.2395 0.3020 ( 3128 PWs) bands (ev): -31.6183 -31.6183 -12.9621 -12.9621 -12.6139 -12.6139 -12.5471 -12.5471 -4.2570 -4.2570 -3.9832 -3.9832 2.9759 2.9759 3.3077 3.3077 4.8375 4.8375 4.9715 4.9715 4.9897 4.9897 5.0809 5.0809 6.4189 6.4189 6.5352 6.5352 6.8312 6.8312 6.9698 6.9698 7.1445 7.1445 7.3215 7.3215 7.4297 7.4297 7.4848 7.4848 8.1807 8.1807 8.4750 8.4750 10.9451 10.9451 11.9564 11.9564 11.9936 11.9936 12.9356 12.9356 k = 0.4255 0.2457 0.3020 ( 3128 PWs) bands (ev): -31.6181 -31.6181 -12.9631 -12.9631 -12.6150 -12.6150 -12.5472 -12.5472 -4.2493 -4.2493 -3.9733 -3.9733 2.9554 2.9554 3.2943 3.2943 4.8428 4.8428 4.9767 4.9767 4.9893 4.9893 5.0774 5.0774 6.4197 6.4197 6.5380 6.5380 6.8230 6.8230 6.9629 6.9629 7.1506 7.1506 7.3138 7.3138 7.4125 7.4125 7.4675 7.4675 8.1768 8.1768 8.4753 8.4753 10.9369 10.9369 11.9376 11.9376 11.9826 11.9826 12.9800 12.9800 k = 0.4362 0.2518 0.3020 ( 3128 PWs) bands (ev): -31.6180 -31.6180 -12.9640 -12.9640 -12.6159 -12.6159 -12.5473 -12.5473 -4.2426 -4.2426 -3.9646 -3.9646 2.9373 2.9373 3.2827 3.2827 4.8475 4.8475 4.9796 4.9796 4.9909 4.9909 5.0739 5.0739 6.4204 6.4204 6.5406 6.5406 6.8163 6.8163 6.9561 6.9561 7.1575 7.1575 7.3066 7.3066 7.3948 7.3948 7.4543 7.4543 8.1733 8.1733 8.4757 8.4757 10.9296 10.9296 11.9221 11.9221 11.9717 11.9717 13.0236 13.0236 k = 0.4468 0.2580 0.3020 ( 3132 PWs) bands (ev): -31.6179 -31.6179 -12.9647 -12.9647 -12.6168 -12.6168 -12.5473 -12.5473 -4.2369 -4.2369 -3.9572 -3.9572 2.9217 2.9217 3.2729 3.2729 4.8516 4.8516 4.9801 4.9801 4.9946 4.9946 5.0705 5.0705 6.4211 6.4211 6.5427 6.5427 6.8109 6.8109 6.9498 6.9498 7.1650 7.1650 7.3001 7.3001 7.3772 7.3772 7.4444 7.4444 8.1703 8.1703 8.4760 8.4760 10.9234 10.9234 11.9098 11.9098 11.9614 11.9614 13.0651 13.0651 k = 0.4574 0.2641 0.3020 ( 3134 PWs) bands (ev): -31.6178 -31.6178 -12.9654 -12.9654 -12.6174 -12.6174 -12.5473 -12.5473 -4.2321 -4.2321 -3.9510 -3.9510 2.9087 2.9087 3.2649 3.2649 4.8549 4.8549 4.9796 4.9796 4.9988 4.9988 5.0674 5.0674 6.4218 6.4218 6.5446 6.5446 6.8069 6.8069 6.9442 6.9442 7.1728 7.1728 7.2943 7.2943 7.3606 7.3606 7.4374 7.4374 8.1678 8.1678 8.4762 8.4762 10.9182 10.9182 11.9005 11.9005 11.9520 11.9520 13.1030 13.1030 k = 0.4681 0.2702 0.3020 ( 3130 PWs) bands (ev): -31.6177 -31.6177 -12.9659 -12.9659 -12.6180 -12.6180 -12.5474 -12.5474 -4.2284 -4.2284 -3.9462 -3.9462 2.8985 2.8985 3.2587 3.2587 4.8576 4.8576 4.9789 4.9789 5.0027 5.0027 5.0646 5.0646 6.4223 6.4223 6.5460 6.5460 6.8040 6.8040 6.9395 6.9395 7.1804 7.1804 7.2893 7.2893 7.3461 7.3461 7.4326 7.4326 8.1658 8.1658 8.4764 8.4764 10.9141 10.9141 11.8939 11.8939 11.9439 11.9439 13.1354 13.1354 k = 0.4787 0.2764 0.3020 ( 3130 PWs) bands (ev): -31.6176 -31.6176 -12.9662 -12.9662 -12.6183 -12.6183 -12.5474 -12.5474 -4.2257 -4.2257 -3.9428 -3.9428 2.8912 2.8912 3.2543 3.2543 4.8594 4.8594 4.9783 4.9783 5.0059 5.0059 5.0623 5.0623 6.4227 6.4227 6.5470 6.5470 6.8021 6.8021 6.9359 6.9359 7.1872 7.1872 7.2852 7.2852 7.3347 7.3347 7.4294 7.4294 8.1644 8.1644 8.4766 8.4766 10.9111 10.9111 11.8896 11.8896 11.9377 11.9377 13.1604 13.1604 k = 0.4894 0.2825 0.3020 ( 3130 PWs) bands (ev): -31.6176 -31.6176 -12.9664 -12.9664 -12.6185 -12.6185 -12.5474 -12.5474 -4.2241 -4.2241 -3.9407 -3.9407 2.8867 2.8867 3.2517 3.2517 4.8606 4.8606 4.9779 4.9779 5.0079 5.0079 5.0609 5.0609 6.4230 6.4230 6.5476 6.5476 6.8010 6.8010 6.9337 6.9337 7.1920 7.1920 7.2823 7.2823 7.3273 7.3273 7.4276 7.4276 8.1635 8.1635 8.4767 8.4767 10.9093 10.9093 11.8872 11.8872 11.9338 11.9338 13.1763 13.1763 k = 0.5000 0.2887 0.3020 ( 3140 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6187 -12.6187 -12.5474 -12.5474 -4.2236 -4.2236 -3.9400 -3.9400 2.8852 2.8852 3.2508 3.2508 4.8609 4.8609 4.9778 4.9778 5.0086 5.0086 5.0603 5.0603 6.4230 6.4230 6.5478 6.5478 6.8007 6.8007 6.9330 6.9330 7.1937 7.1937 7.2812 7.2812 7.3248 7.3248 7.4270 7.4270 8.1632 8.1632 8.4766 8.4766 10.9087 10.9087 11.8864 11.8864 11.9324 11.9324 13.1818 13.1818 k = 0.5000 0.2887 0.3020 ( 3140 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6187 -12.6187 -12.5474 -12.5474 -4.2236 -4.2236 -3.9400 -3.9400 2.8852 2.8852 3.2508 3.2508 4.8609 4.8609 4.9778 4.9778 5.0086 5.0086 5.0603 5.0603 6.4230 6.4230 6.5478 6.5478 6.8007 6.8007 6.9330 6.9330 7.1937 7.1937 7.2812 7.2812 7.3248 7.3248 7.4270 7.4270 8.1632 8.1632 8.4766 8.4766 10.9087 10.9087 11.8864 11.8864 11.9324 11.9324 13.1818 13.1818 k = 0.4938 0.2994 0.3020 ( 3128 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6186 -12.6186 -12.5475 -12.5475 -4.2231 -4.2231 -3.9401 -3.9401 2.8863 2.8863 3.2513 3.2513 4.8603 4.8603 4.9708 4.9708 5.0132 5.0132 5.0601 5.0601 6.4229 6.4229 6.5482 6.5482 6.7995 6.7995 6.9331 6.9331 7.1932 7.1932 7.2788 7.2788 7.3261 7.3261 7.4276 7.4276 8.1631 8.1631 8.4749 8.4749 10.9120 10.9120 11.8895 11.8895 11.9370 11.9370 13.1664 13.1664 k = 0.4877 0.3101 0.3020 ( 3130 PWs) bands (ev): -31.6175 -31.6175 -12.9665 -12.9665 -12.6185 -12.6185 -12.5477 -12.5477 -4.2219 -4.2219 -3.9403 -3.9403 2.8897 2.8897 3.2529 3.2529 4.8581 4.8581 4.9556 4.9556 5.0212 5.0212 5.0596 5.0596 6.4224 6.4224 6.5493 6.5493 6.7961 6.7961 6.9332 6.9332 7.1914 7.1914 7.2725 7.2725 7.3292 7.3292 7.4297 7.4297 8.1627 8.1627 8.4698 8.4698 10.9218 10.9218 11.8987 11.8987 11.9506 11.9506 13.1311 13.1311 k = 0.4815 0.3208 0.3020 ( 3130 PWs) bands (ev): -31.6175 -31.6175 -12.9664 -12.9664 -12.6184 -12.6184 -12.5482 -12.5482 -4.2198 -4.2198 -3.9406 -3.9406 2.8952 2.8952 3.2555 3.2555 4.8543 4.8543 4.9364 4.9364 5.0281 5.0281 5.0593 5.0593 6.4216 6.4216 6.5510 6.5510 6.7904 6.7904 6.9334 6.9334 7.1885 7.1885 7.2636 7.2636 7.3326 7.3326 7.4332 7.4332 8.1618 8.1618 8.4615 8.4615 10.9377 10.9377 11.9139 11.9139 11.9733 11.9733 13.0894 13.0894 k = 0.4753 0.3314 0.3020 ( 3130 PWs) bands (ev): -31.6175 -31.6175 -12.9664 -12.9664 -12.6182 -12.6182 -12.5488 -12.5488 -4.2169 -4.2169 -3.9411 -3.9411 2.9029 2.9029 3.2590 3.2590 4.8488 4.8488 4.9142 4.9142 5.0322 5.0322 5.0601 5.0601 6.4206 6.4206 6.5533 6.5533 6.7828 6.7828 6.9336 6.9336 7.1847 7.1847 7.2531 7.2531 7.3352 7.3352 7.4383 7.4383 8.1604 8.1604 8.4504 8.4504 10.9594 10.9594 11.9348 11.9348 12.0049 12.0049 13.0471 13.0471 k = 0.4691 0.3421 0.3020 ( 3142 PWs) bands (ev): -31.6175 -31.6175 -12.9664 -12.9664 -12.6180 -12.6180 -12.5496 -12.5496 -4.2133 -4.2133 -3.9418 -3.9418 2.9127 2.9127 3.2636 3.2636 4.8411 4.8411 4.8896 4.8896 5.0332 5.0332 5.0625 5.0625 6.4193 6.4193 6.5558 6.5558 6.7734 6.7734 6.9336 6.9336 7.1800 7.1800 7.2416 7.2416 7.3366 7.3366 7.4452 7.4452 8.1580 8.1580 8.4369 8.4369 10.9862 10.9862 11.9613 11.9613 12.0454 12.0454 13.0064 13.0064 k = 0.4630 0.3528 0.3020 ( 3152 PWs) bands (ev): -31.6174 -31.6174 -12.9663 -12.9663 -12.6177 -12.6177 -12.5506 -12.5506 -4.2088 -4.2088 -3.9426 -3.9426 2.9247 2.9247 3.2691 3.2691 4.8303 4.8303 4.8634 4.8634 5.0318 5.0318 5.0659 5.0659 6.4179 6.4179 6.5584 6.5584 6.7627 6.7627 6.9336 6.9336 7.1747 7.1747 7.2297 7.2297 7.3365 7.3365 7.4538 7.4538 8.1546 8.1546 8.4214 8.4214 11.0175 11.0175 11.9927 11.9927 12.0944 12.0944 12.9685 12.9685 k = 0.4568 0.3635 0.3020 ( 3156 PWs) bands (ev): -31.6174 -31.6174 -12.9663 -12.9663 -12.6173 -12.6173 -12.5517 -12.5517 -4.2036 -4.2036 -3.9436 -3.9436 2.9387 2.9387 3.2754 3.2754 4.8138 4.8138 4.8382 4.8382 5.0292 5.0292 5.0696 5.0696 6.4165 6.4165 6.5609 6.5609 6.7512 6.7512 6.9333 6.9333 7.1688 7.1688 7.2180 7.2180 7.3350 7.3350 7.4641 7.4641 8.1498 8.1498 8.4047 8.4047 11.0527 11.0527 12.0285 12.0285 12.1516 12.1516 12.9339 12.9339 k = 0.4506 0.3742 0.3020 ( 3152 PWs) bands (ev): -31.6173 -31.6173 -12.9662 -12.9662 -12.6169 -12.6169 -12.5529 -12.5529 -4.1977 -4.1977 -3.9448 -3.9448 2.9548 2.9548 3.2826 3.2826 4.7878 4.7878 4.8178 4.8178 5.0262 5.0262 5.0731 5.0731 6.4150 6.4150 6.5628 6.5628 6.7395 6.7395 6.9328 6.9328 7.1623 7.1623 7.2070 7.2070 7.3322 7.3322 7.4757 7.4757 8.1435 8.1435 8.3872 8.3872 11.0914 11.0914 12.0679 12.0679 12.2166 12.2166 12.9033 12.9033 k = 0.4444 0.3849 0.3020 ( 3140 PWs) bands (ev): -31.6173 -31.6173 -12.9660 -12.9660 -12.6165 -12.6165 -12.5542 -12.5542 -4.1911 -4.1911 -3.9462 -3.9462 2.9727 2.9727 3.2905 3.2905 4.7548 4.7548 4.7999 4.7999 5.0233 5.0233 5.0762 5.0762 6.4136 6.4136 6.5637 6.5637 6.7282 6.7282 6.9319 6.9319 7.1550 7.1550 7.1971 7.1971 7.3284 7.3284 7.4886 7.4886 8.1357 8.1357 8.3692 8.3692 11.1329 11.1329 12.1097 12.1097 12.2887 12.2887 12.8774 12.8774 k = 0.4383 0.3956 0.3020 ( 3140 PWs) bands (ev): -31.6172 -31.6172 -12.9660 -12.9660 -12.6160 -12.6160 -12.5557 -12.5557 -4.1839 -4.1839 -3.9477 -3.9477 2.9925 2.9925 3.2990 3.2990 4.7180 4.7180 4.7812 4.7812 5.0209 5.0209 5.0788 5.0788 6.4121 6.4121 6.5631 6.5631 6.7183 6.7183 6.9307 6.9307 7.1467 7.1467 7.1886 7.1886 7.3235 7.3235 7.5025 7.5025 8.1262 8.1262 8.3512 8.3512 11.1769 11.1769 12.1525 12.1525 12.3671 12.3671 12.8571 12.8571 k = 0.4321 0.4063 0.3020 ( 3132 PWs) bands (ev): -31.6171 -31.6171 -12.9658 -12.9658 -12.6155 -12.6155 -12.5572 -12.5572 -4.1761 -4.1761 -3.9495 -3.9495 3.0140 3.0140 3.3081 3.3081 4.6789 4.6789 4.7609 4.7609 5.0190 5.0190 5.0809 5.0809 6.4106 6.4106 6.5605 6.5605 6.7104 6.7104 6.9290 6.9290 7.1378 7.1378 7.1817 7.1817 7.3180 7.3180 7.5173 7.5173 8.1151 8.1151 8.3334 8.3334 11.2230 11.2230 12.1942 12.1942 12.4509 12.4509 12.8439 12.8439 k = 0.4259 0.4170 0.3020 ( 3128 PWs) bands (ev): -31.6171 -31.6171 -12.9657 -12.9657 -12.6149 -12.6149 -12.5587 -12.5587 -4.1677 -4.1677 -3.9516 -3.9516 3.0371 3.0371 3.3175 3.3175 4.6378 4.6378 4.7391 4.7391 5.0179 5.0179 5.0826 5.0826 6.4091 6.4091 6.5556 6.5556 6.7050 6.7050 6.9268 6.9268 7.1283 7.1283 7.1762 7.1762 7.3118 7.3118 7.5327 7.5327 8.1025 8.1025 8.3160 8.3160 11.2710 11.2710 12.2324 12.2324 12.5391 12.5391 12.8395 12.8395 k = 0.4198 0.4277 0.3020 ( 3124 PWs) bands (ev): -31.6170 -31.6170 -12.9657 -12.9657 -12.6144 -12.6144 -12.5603 -12.5603 -4.1589 -4.1589 -3.9538 -3.9538 3.0617 3.0617 3.3273 3.3273 4.5952 4.5952 4.7157 4.7157 5.0173 5.0173 5.0838 5.0838 6.4077 6.4077 6.5485 6.5485 6.7026 6.7026 6.9242 6.9242 7.1187 7.1187 7.1719 7.1719 7.3052 7.3052 7.5487 7.5487 8.0884 8.0884 8.2993 8.2993 11.3208 11.3208 12.2645 12.2645 12.6303 12.6303 12.8460 12.8460 k = 0.4136 0.4384 0.3020 ( 3124 PWs) bands (ev): -31.6169 -31.6169 -12.9656 -12.9656 -12.6138 -12.6138 -12.5620 -12.5620 -4.1496 -4.1496 -3.9564 -3.9564 3.0876 3.0876 3.3372 3.3372 4.5516 4.5516 4.6913 4.6913 5.0174 5.0174 5.0845 5.0845 6.4060 6.4060 6.5396 6.5396 6.7027 6.7027 6.9210 6.9210 7.1092 7.1092 7.1686 7.1686 7.2982 7.2982 7.5653 7.5653 8.0731 8.0731 8.2833 8.2833 11.3721 11.3721 12.2879 12.2879 12.7230 12.7230 12.8651 12.8651 k = 0.4074 0.4491 0.3020 ( 3120 PWs) bands (ev): -31.6168 -31.6168 -12.9655 -12.9655 -12.6133 -12.6133 -12.5636 -12.5636 -4.1399 -4.1399 -3.9592 -3.9592 3.1146 3.1146 3.3470 3.3470 4.5074 4.5074 4.6662 4.6662 5.0182 5.0182 5.0849 5.0849 6.4042 6.4042 6.5297 6.5297 6.7052 6.7052 6.9173 6.9173 7.1002 7.1002 7.1661 7.1661 7.2911 7.2911 7.5823 7.5823 8.0567 8.0567 8.2682 8.2682 11.4249 11.4249 12.3014 12.3014 12.8153 12.8153 12.8974 12.8974 k = 0.4012 0.4597 0.3020 ( 3116 PWs) bands (ev): -31.6168 -31.6168 -12.9655 -12.9655 -12.6127 -12.6127 -12.5652 -12.5652 -4.1300 -4.1300 -3.9623 -3.9623 3.1424 3.1424 3.3566 3.3566 4.4631 4.4631 4.6408 4.6408 5.0195 5.0195 5.0848 5.0848 6.4021 6.4021 6.5194 6.5194 6.7095 6.7095 6.9131 6.9131 7.0918 7.0918 7.1643 7.1643 7.2839 7.2839 7.5996 7.5996 8.0393 8.0393 8.2541 8.2541 11.4789 11.4789 12.3051 12.3051 12.9047 12.9047 12.9420 12.9420 k = 0.3951 0.4704 0.3020 ( 3120 PWs) bands (ev): -31.6167 -31.6167 -12.9654 -12.9654 -12.6122 -12.6122 -12.5668 -12.5668 -4.1198 -4.1198 -3.9658 -3.9658 3.1709 3.1709 3.3658 3.3658 4.4190 4.4190 4.6156 4.6156 5.0212 5.0212 5.0844 5.0844 6.3997 6.3997 6.5093 6.5093 6.7151 6.7151 6.9083 6.9083 7.0840 7.0840 7.1629 7.1629 7.2767 7.2767 7.6172 7.6172 8.0212 8.0212 8.2411 8.2411 11.5340 11.5340 12.3001 12.3001 12.9880 12.9880 12.9968 12.9968 k = 0.3889 0.4811 0.3020 ( 3116 PWs) bands (ev): -31.6166 -31.6166 -12.9654 -12.9654 -12.6117 -12.6117 -12.5682 -12.5682 -4.1094 -4.1094 -3.9696 -3.9696 3.1996 3.1996 3.3743 3.3743 4.3759 4.3759 4.5910 4.5910 5.0235 5.0235 5.0836 5.0836 6.3970 6.3970 6.5000 6.5000 6.7217 6.7217 6.9029 6.9029 7.0769 7.0769 7.1621 7.1621 7.2697 7.2697 7.6351 7.6351 8.0024 8.0024 8.2293 8.2293 11.5899 11.5899 12.2882 12.2882 13.0581 13.0581 13.0614 13.0614 k = 0.3827 0.4918 0.3020 ( 3116 PWs) bands (ev): -31.6166 -31.6166 -12.9654 -12.9654 -12.6112 -12.6112 -12.5696 -12.5696 -4.0990 -4.0990 -3.9738 -3.9738 3.2283 3.2283 3.3820 3.3820 4.3342 4.3342 4.5674 4.5674 5.0262 5.0262 5.0824 5.0824 6.3940 6.3940 6.4917 6.4917 6.7291 6.7291 6.8971 6.8971 7.0706 7.0706 7.1617 7.1617 7.2630 7.2630 7.6530 7.6530 7.9831 7.9831 8.2187 8.2187 11.6464 11.6464 12.2709 12.2709 13.1161 13.1161 13.1258 13.1258 k = 0.3765 0.5025 0.3020 ( 3118 PWs) bands (ev): -31.6165 -31.6165 -12.9654 -12.9654 -12.6108 -12.6108 -12.5709 -12.5709 -4.0885 -4.0885 -3.9783 -3.9783 3.2564 3.2564 3.3885 3.3885 4.2947 4.2947 4.5455 4.5455 5.0293 5.0293 5.0807 5.0807 6.3906 6.3906 6.4847 6.4847 6.7368 6.7368 6.8908 6.8908 7.0651 7.0651 7.1616 7.1616 7.2567 7.2567 7.6709 7.6709 7.9636 7.9636 8.2093 8.2093 11.7030 11.7030 12.2496 12.2496 13.1490 13.1490 13.1946 13.1946 k = 0.3704 0.5132 0.3020 ( 3118 PWs) bands (ev): -31.6164 -31.6164 -12.9654 -12.9654 -12.6105 -12.6105 -12.5720 -12.5720 -4.0781 -4.0781 -3.9832 -3.9832 3.2834 3.2834 3.3939 3.3939 4.2580 4.2580 4.5256 4.5256 5.0326 5.0326 5.0788 5.0788 6.3871 6.3871 6.4790 6.4790 6.7449 6.7449 6.8842 6.8842 7.0603 7.0603 7.1618 7.1618 7.2508 7.2508 7.6888 7.6888 7.9441 7.9441 8.2013 8.2013 11.7592 11.7592 12.2252 12.2252 13.1590 13.1590 13.2630 13.2630 k = 0.3642 0.5239 0.3020 ( 3126 PWs) bands (ev): -31.6164 -31.6164 -12.9655 -12.9655 -12.6102 -12.6102 -12.5730 -12.5730 -4.0679 -4.0679 -3.9886 -3.9886 3.3086 3.3086 3.3977 3.3977 4.2250 4.2250 4.5080 4.5080 5.0363 5.0363 5.0763 5.0763 6.3836 6.3836 6.4744 6.4744 6.7529 6.7529 6.8774 6.8774 7.0562 7.0562 7.1622 7.1622 7.2455 7.2455 7.7062 7.7062 7.9248 7.9248 8.1945 8.1945 11.8143 11.8143 12.1985 12.1985 13.1527 13.1527 13.3285 13.3285 k = 0.3580 0.5346 0.3020 ( 3122 PWs) bands (ev): -31.6163 -31.6163 -12.9655 -12.9655 -12.6099 -12.6099 -12.5738 -12.5738 -4.0579 -4.0579 -3.9943 -3.9943 3.3315 3.3315 3.4000 3.4000 4.1965 4.1965 4.4932 4.4932 5.0402 5.0402 5.0736 5.0736 6.3804 6.3804 6.4711 6.4711 6.7608 6.7608 6.8706 6.8706 7.0530 7.0530 7.1627 7.1627 7.2409 7.2409 7.7229 7.7229 7.9064 7.9064 8.1891 8.1891 11.8677 11.8677 12.1699 12.1699 13.1385 13.1385 13.3887 13.3887 k = 0.3519 0.5453 0.3020 ( 3122 PWs) bands (ev): -31.6163 -31.6163 -12.9655 -12.9655 -12.6098 -12.6098 -12.5744 -12.5744 -4.0483 -4.0483 -4.0006 -4.0006 3.3512 3.3512 3.4008 3.4008 4.1732 4.1732 4.4815 4.4815 5.0444 5.0444 5.0703 5.0703 6.3776 6.3776 6.4687 6.4687 6.7681 6.7681 6.8641 6.8641 7.0505 7.0505 7.1633 7.1633 7.2372 7.2372 7.7384 7.7384 7.8893 7.8893 8.1849 8.1849 11.9184 11.9184 12.1399 12.1399 13.1224 13.1224 13.4416 13.4416 k = 0.3457 0.5560 0.3020 ( 3126 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6097 -12.6097 -12.5749 -12.5749 -4.0390 -4.0390 -4.0072 -4.0072 3.3669 3.3669 3.4001 3.4001 4.1560 4.1560 4.4730 4.4730 5.0488 5.0488 5.0667 5.0667 6.3755 6.3755 6.4670 6.4670 6.7743 6.7743 6.8584 6.8584 7.0487 7.0487 7.1638 7.1638 7.2343 7.2343 7.7517 7.7517 7.8749 7.8749 8.1819 8.1819 11.9653 11.9653 12.1087 12.1087 13.1084 13.1084 13.4857 13.4857 k = 0.3395 0.5667 0.3020 ( 3120 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6096 -12.6096 -12.5751 -12.5751 -4.0302 -4.0302 -4.0144 -4.0144 3.3775 3.3775 3.3987 3.3987 4.1454 4.1454 4.4679 4.4679 5.0533 5.0533 5.0626 5.0626 6.3742 6.3742 6.4661 6.4661 6.7787 6.7787 6.8545 6.8545 7.0476 7.0476 7.1642 7.1642 7.2327 7.2327 7.7610 7.7610 7.8647 7.8647 8.1802 8.1802 12.0073 12.0073 12.0768 12.0768 13.0989 13.0989 13.5204 13.5205 k = 0.3333 0.5774 0.3020 ( 3120 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6096 -12.6096 -12.5752 -12.5752 -4.0223 -4.0223 -4.0218 -4.0218 3.3812 3.3812 3.3980 3.3980 4.1419 4.1419 4.4663 4.4663 5.0577 5.0577 5.0584 5.0584 6.3738 6.3738 6.4658 6.4658 6.7803 6.7803 6.8530 6.8530 7.0473 7.0473 7.1643 7.1643 7.2321 7.2321 7.7645 7.7645 7.8610 7.8610 8.1797 8.1797 12.0395 12.0395 12.0481 12.0481 13.0956 13.0956 13.5417 13.5418 k = 0.3333 0.5774 0.3020 ( 3120 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6096 -12.6096 -12.5752 -12.5752 -4.0223 -4.0223 -4.0218 -4.0218 3.3812 3.3812 3.3980 3.3980 4.1419 4.1419 4.4663 4.4663 5.0577 5.0577 5.0584 5.0584 6.3738 6.3738 6.4658 6.4658 6.7803 6.7803 6.8530 6.8530 7.0473 7.0473 7.1643 7.1643 7.2321 7.2321 7.7645 7.7645 7.8610 7.8610 8.1797 8.1797 12.0395 12.0395 12.0481 12.0481 13.0956 13.0956 13.5417 13.5418 k = 0.3272 0.5667 0.3020 ( 3120 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6096 -12.6096 -12.5751 -12.5751 -4.0302 -4.0302 -4.0145 -4.0145 3.3783 3.3783 3.3980 3.3980 4.1454 4.1454 4.4679 4.4679 5.0530 5.0530 5.0629 5.0629 6.3742 6.3742 6.4661 6.4661 6.7786 6.7786 6.8545 6.8545 7.0476 7.0476 7.1642 7.1642 7.2327 7.2327 7.7613 7.7613 7.8645 7.8645 8.1802 8.1802 12.0103 12.0103 12.0736 12.0736 13.0990 13.0990 13.5207 13.5207 k = 0.3210 0.5560 0.3020 ( 3124 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6096 -12.6096 -12.5749 -12.5749 -4.0388 -4.0388 -4.0077 -4.0077 3.3719 3.3719 3.3962 3.3962 4.1555 4.1555 4.4728 4.4728 5.0476 5.0476 5.0678 5.0678 6.3755 6.3755 6.4671 6.4671 6.7739 6.7739 6.8590 6.8590 7.0486 7.0486 7.1639 7.1639 7.2343 7.2343 7.7533 7.7533 7.8735 7.8735 8.1819 8.1819 11.9769 11.9769 12.0959 12.0959 13.1087 13.1087 13.4897 13.4897 k = 0.3148 0.5453 0.3020 ( 3130 PWs) bands (ev): -31.6163 -31.6163 -12.9655 -12.9655 -12.6097 -12.6097 -12.5746 -12.5746 -4.0480 -4.0480 -4.0017 -4.0017 3.3636 3.3636 3.3920 3.3920 4.1717 4.1717 4.4807 4.4807 5.0416 5.0416 5.0728 5.0728 6.3775 6.3775 6.4688 6.4688 6.7668 6.7668 6.8656 6.8656 7.0502 7.0502 7.1635 7.1635 7.2370 7.2370 7.7430 7.7430 7.8856 7.8856 8.1845 8.1845 11.9434 11.9434 12.1113 12.1113 13.1224 13.1224 13.4575 13.4575 k = 0.3086 0.5346 0.3020 ( 3134 PWs) bands (ev): -31.6164 -31.6164 -12.9654 -12.9654 -12.6097 -12.6097 -12.5741 -12.5741 -4.0576 -4.0576 -3.9965 -3.9965 3.3542 3.3542 3.3855 3.3855 4.1931 4.1931 4.4914 4.4914 5.0352 5.0352 5.0777 5.0777 6.3802 6.3802 6.4715 6.4715 6.7583 6.7583 6.8737 6.8737 7.0524 7.0524 7.1633 7.1633 7.2406 7.2406 7.7322 7.7322 7.8993 7.8993 8.1882 8.1882 11.9099 11.9099 12.1201 12.1201 13.1356 13.1356 13.4301 13.4301 k = 0.3025 0.5239 0.3020 ( 3122 PWs) bands (ev): -31.6164 -31.6164 -12.9652 -12.9652 -12.6096 -12.6096 -12.5735 -12.5735 -4.0678 -4.0678 -3.9923 -3.9923 3.3443 3.3443 3.3776 3.3776 4.2188 4.2188 4.5045 4.5045 5.0282 5.0282 5.0828 5.0828 6.3832 6.3832 6.4754 6.4754 6.7489 6.7489 6.8829 6.8829 7.0552 7.0552 7.1635 7.1635 7.2451 7.2451 7.7219 7.7219 7.9136 7.9136 8.1930 8.1930 11.8767 11.8767 12.1233 12.1233 13.1406 13.1406 13.4152 13.4152 k = 0.2963 0.5132 0.3020 ( 3122 PWs) bands (ev): -31.6165 -31.6165 -12.9650 -12.9650 -12.6095 -12.6095 -12.5728 -12.5728 -4.0785 -4.0785 -3.9891 -3.9891 3.3340 3.3340 3.3691 3.3691 4.2478 4.2478 4.5199 4.5199 5.0208 5.0208 5.0878 5.0878 6.3862 6.3862 6.4807 6.4807 6.7389 6.7389 6.8926 6.8926 7.0584 7.0584 7.1642 7.1642 7.2501 7.2501 7.7126 7.7126 7.9279 7.9279 8.1985 8.1985 11.8439 11.8439 12.1221 12.1221 13.1300 13.1300 13.4196 13.4196 k = 0.2901 0.5025 0.3020 ( 3118 PWs) bands (ev): -31.6166 -31.6166 -12.9647 -12.9647 -12.6093 -12.6093 -12.5720 -12.5720 -4.0897 -4.0897 -3.9870 -3.9870 3.3239 3.3239 3.3605 3.3605 4.2794 4.2794 4.5372 4.5372 5.0129 5.0129 5.0927 5.0927 6.3890 6.3890 6.4877 6.4877 6.7288 6.7288 6.9027 6.9027 7.0618 7.0618 7.1658 7.1658 7.2556 7.2556 7.7047 7.7047 7.9422 7.9422 8.2050 8.2050 11.8118 11.8118 12.1175 12.1175 13.1029 13.1029 13.4434 13.4434 k = 0.2840 0.4918 0.3020 ( 3122 PWs) bands (ev): -31.6167 -31.6167 -12.9644 -12.9644 -12.6091 -12.6091 -12.5712 -12.5712 -4.1013 -4.1013 -3.9859 -3.9859 3.3142 3.3142 3.3527 3.3527 4.3128 4.3128 4.5560 4.5560 5.0044 5.0044 5.0974 5.0974 6.3914 6.3914 6.4965 6.4965 6.7188 6.7188 6.9129 6.9129 7.0652 7.0652 7.1685 7.1685 7.2615 7.2615 7.6984 7.6984 7.9562 7.9562 8.2121 8.2121 11.7805 11.7805 12.1108 12.1108 13.0643 13.0643 13.4802 13.4802 k = 0.2778 0.4811 0.3020 ( 3126 PWs) bands (ev): -31.6168 -31.6168 -12.9640 -12.9640 -12.6088 -12.6088 -12.5703 -12.5703 -4.1135 -4.1135 -3.9860 -3.9860 3.3051 3.3051 3.3460 3.3460 4.3473 4.3473 4.5762 4.5762 4.9955 4.9955 5.1021 5.1021 6.3932 6.3932 6.5070 6.5070 6.7092 6.7092 6.9233 6.9233 7.0685 7.0685 7.1724 7.1724 7.2679 7.2679 7.6941 7.6941 7.9699 7.9699 8.2198 8.2198 11.7503 11.7503 12.1028 12.1028 13.0194 13.0194 13.4906 13.4906 k = 0.2716 0.4704 0.3020 ( 3118 PWs) bands (ev): -31.6169 -31.6169 -12.9635 -12.9635 -12.6084 -12.6084 -12.5693 -12.5693 -4.1262 -4.1262 -3.9873 -3.9873 3.2969 3.2969 3.3411 3.3411 4.3823 4.3823 4.5974 4.5974 4.9861 4.9861 5.1066 5.1066 6.3945 6.3945 6.5192 6.5192 6.7005 6.7005 6.9337 6.9337 7.0718 7.0718 7.1780 7.1780 7.2747 7.2747 7.6918 7.6918 7.9833 7.9833 8.2281 8.2281 11.7212 11.7212 12.0944 12.0944 12.9715 12.9715 13.4318 13.4318 k = 0.2654 0.4597 0.3020 ( 3126 PWs) bands (ev): -31.6171 -31.6171 -12.9630 -12.9630 -12.6080 -12.6080 -12.5683 -12.5683 -4.1393 -4.1393 -3.9897 -3.9897 3.2898 3.2898 3.3381 3.3381 4.4173 4.4173 4.6193 4.6193 4.9762 4.9762 5.1109 5.1109 6.3951 6.3951 6.5323 6.5323 6.6930 6.6930 6.9438 6.9438 7.0745 7.0745 7.1853 7.1853 7.2818 7.2818 7.6916 7.6916 7.9963 7.9963 8.2367 8.2367 11.6935 11.6935 12.0862 12.0862 12.9225 12.9225 13.3675 13.3675 k = 0.2593 0.4491 0.3020 ( 3122 PWs) bands (ev): -31.6173 -31.6173 -12.9623 -12.9623 -12.6074 -12.6074 -12.5673 -12.5673 -4.1528 -4.1528 -3.9934 -3.9934 3.2839 3.2839 3.3374 3.3374 4.4520 4.4520 4.6418 4.6418 4.9659 4.9659 5.1150 5.1150 6.3953 6.3953 6.5458 6.5458 6.6878 6.6878 6.9538 6.9538 7.0770 7.0770 7.1943 7.1943 7.2896 7.2896 7.6935 7.6935 8.0091 8.0091 8.2456 8.2456 11.6674 11.6674 12.0787 12.0787 12.8738 12.8738 13.3003 13.3003 k = 0.2531 0.4384 0.3020 ( 3122 PWs) bands (ev): -31.6175 -31.6175 -12.9616 -12.9616 -12.6067 -12.6067 -12.5662 -12.5662 -4.1668 -4.1668 -3.9983 -3.9983 3.2795 3.2795 3.3392 3.3392 4.4859 4.4859 4.6646 4.6646 4.9552 4.9552 5.1188 5.1188 6.3952 6.3952 6.5581 6.5581 6.6860 6.6860 6.9634 6.9634 7.0792 7.0792 7.2051 7.2051 7.2981 7.2981 7.6976 7.6976 8.0217 8.0217 8.2547 8.2547 11.6430 11.6430 12.0723 12.0723 12.8263 12.8263 13.2313 13.2313 k = 0.2469 0.4277 0.3020 ( 3134 PWs) bands (ev): -31.6177 -31.6177 -12.9608 -12.9608 -12.6060 -12.6060 -12.5652 -12.5652 -4.1811 -4.1811 -4.0044 -4.0044 3.2766 3.2766 3.3435 3.3435 4.5187 4.5187 4.6874 4.6874 4.9440 4.9440 5.1222 5.1222 6.3949 6.3949 6.5677 6.5677 6.6891 6.6891 6.9726 6.9726 7.0810 7.0810 7.2174 7.2174 7.3075 7.3075 7.7037 7.7037 8.0342 8.0342 8.2637 8.2637 11.6205 11.6205 12.0672 12.0672 12.7804 12.7804 13.1613 13.1613 k = 0.2407 0.4170 0.3020 ( 3122 PWs) bands (ev): -31.6179 -31.6179 -12.9599 -12.9599 -12.6052 -12.6052 -12.5640 -12.5640 -4.1958 -4.1958 -4.0116 -4.0116 3.2754 3.2754 3.3505 3.3505 4.5501 4.5501 4.7102 4.7102 4.9326 4.9326 5.1254 5.1254 6.3945 6.3945 6.5734 6.5734 6.6983 6.6983 6.9813 6.9813 7.0827 7.0827 7.2314 7.2314 7.3183 7.3183 7.7120 7.7120 8.0466 8.0466 8.2728 8.2728 11.6002 11.6002 12.0637 12.0637 12.7368 12.7368 13.0909 13.0909 k = 0.2346 0.4063 0.3020 ( 3122 PWs) bands (ev): -31.6181 -31.6181 -12.9589 -12.9589 -12.6042 -12.6042 -12.5628 -12.5628 -4.2109 -4.2109 -4.0201 -4.0201 3.2760 3.2760 3.3602 3.3602 4.5799 4.5799 4.7327 4.7327 4.9209 4.9209 5.1281 5.1281 6.3940 6.3940 6.5749 6.5749 6.7135 6.7135 6.9894 6.9894 7.0843 7.0843 7.2466 7.2466 7.3306 7.3306 7.7221 7.7221 8.0590 8.0590 8.2816 8.2816 11.5821 11.5821 12.0617 12.0617 12.6957 12.6957 13.0201 13.0201 k = 0.2284 0.3956 0.3020 ( 3126 PWs) bands (ev): -31.6184 -31.6184 -12.9579 -12.9579 -12.6033 -12.6033 -12.5617 -12.5617 -4.2263 -4.2263 -4.0297 -4.0297 3.2784 3.2784 3.3725 3.3725 4.6079 4.6079 4.7547 4.7547 4.9091 4.9091 5.1305 5.1305 6.3937 6.3937 6.5733 6.5733 6.7335 6.7335 6.9967 6.9967 7.0861 7.0861 7.2630 7.2630 7.3446 7.3446 7.7341 7.7341 8.0715 8.0715 8.2902 8.2902 11.5663 11.5663 12.0614 12.0614 12.6574 12.6574 12.9493 12.9493 k = 0.2222 0.3849 0.3020 ( 3130 PWs) bands (ev): -31.6186 -31.6186 -12.9568 -12.9568 -12.6022 -12.6022 -12.5605 -12.5605 -4.2419 -4.2419 -4.0403 -4.0403 3.2826 3.2826 3.3874 3.3874 4.6340 4.6340 4.7761 4.7761 4.8971 4.8971 5.1325 5.1325 6.3934 6.3934 6.5696 6.5696 6.7571 6.7571 7.0033 7.0033 7.0880 7.0880 7.2805 7.2805 7.3608 7.3608 7.7477 7.7477 8.0840 8.0840 8.2984 8.2984 11.5532 11.5532 12.0626 12.0626 12.6223 12.6223 12.8786 12.8786 k = 0.2160 0.3742 0.3020 ( 3132 PWs) bands (ev): -31.6189 -31.6189 -12.9556 -12.9556 -12.6011 -12.6011 -12.5592 -12.5592 -4.2578 -4.2578 -4.0521 -4.0521 3.2888 3.2888 3.4047 3.4047 4.6581 4.6581 4.7967 4.7967 4.8852 4.8852 5.1340 5.1340 6.3934 6.3934 6.5648 6.5648 6.7830 6.7830 7.0092 7.0092 7.0902 7.0902 7.2991 7.2991 7.3791 7.3791 7.7631 7.7631 8.0967 8.0967 8.3062 8.3062 11.5426 11.5426 12.0653 12.0653 12.5905 12.5905 12.8082 12.8082 k = 0.2099 0.3635 0.3020 ( 3132 PWs) bands (ev): -31.6192 -31.6192 -12.9543 -12.9543 -12.5999 -12.5999 -12.5579 -12.5579 -4.2738 -4.2738 -4.0648 -4.0648 3.2968 3.2968 3.4244 3.4244 4.6801 4.6801 4.8164 4.8164 4.8735 4.8735 5.1351 5.1351 6.3937 6.3937 6.5596 6.5596 6.8101 6.8101 7.0142 7.0142 7.0929 7.0929 7.3189 7.3189 7.3998 7.3998 7.7798 7.7798 8.1095 8.1095 8.3137 8.3137 11.5349 11.5349 12.0692 12.0692 12.5622 12.5622 12.7381 12.7381 k = 0.2037 0.3528 0.3020 ( 3128 PWs) bands (ev): -31.6195 -31.6195 -12.9530 -12.9530 -12.5986 -12.5986 -12.5566 -12.5566 -4.2901 -4.2901 -4.0784 -4.0784 3.3068 3.3068 3.4463 3.4463 4.6999 4.6999 4.8346 4.8346 4.8626 4.8626 5.1358 5.1358 6.3943 6.3943 6.5543 6.5543 6.8380 6.8380 7.0184 7.0184 7.0962 7.0962 7.3399 7.3399 7.4227 7.4227 7.7980 7.7980 8.1224 8.1224 8.3207 8.3207 11.5302 11.5302 12.0742 12.0742 12.5376 12.5376 12.6685 12.6685 k = 0.1975 0.3421 0.3020 ( 3132 PWs) bands (ev): -31.6198 -31.6198 -12.9517 -12.9517 -12.5973 -12.5973 -12.5552 -12.5552 -4.3064 -4.3064 -4.0930 -4.0930 3.3187 3.3187 3.4700 3.4700 4.7175 4.7175 4.8451 4.8451 4.8587 4.8587 5.1361 5.1361 6.3953 6.3953 6.5492 6.5492 6.8656 6.8656 7.0219 7.0219 7.1000 7.1000 7.3625 7.3625 7.4476 7.4476 7.8175 7.8175 8.1355 8.1355 8.3272 8.3272 11.5284 11.5284 12.0797 12.0797 12.5169 12.5169 12.5994 12.5994 k = 0.1914 0.3314 0.3020 ( 3128 PWs) bands (ev): -31.6201 -31.6201 -12.9502 -12.9502 -12.5959 -12.5959 -12.5537 -12.5537 -4.3228 -4.3228 -4.1083 -4.1083 3.3325 3.3325 3.4955 3.4955 4.7330 4.7330 4.8377 4.8377 4.8721 4.8721 5.1359 5.1359 6.3966 6.3966 6.5446 6.5446 6.8927 6.8927 7.0249 7.0249 7.1044 7.1044 7.3868 7.3868 7.4747 7.4747 7.8381 7.8381 8.1486 8.1486 8.3334 8.3334 11.5297 11.5297 12.0855 12.0855 12.5000 12.5000 12.5311 12.5311 k = 0.1852 0.3208 0.3020 ( 3118 PWs) bands (ev): -31.6204 -31.6204 -12.9488 -12.9488 -12.5945 -12.5945 -12.5522 -12.5522 -4.3393 -4.3393 -4.1243 -4.1243 3.3481 3.3481 3.5224 3.5224 4.7464 4.7464 4.8283 4.8283 4.8871 4.8871 5.1354 5.1354 6.3984 6.3984 6.5404 6.5404 6.9185 6.9185 7.0276 7.0276 7.1095 7.1095 7.4130 7.4130 7.5036 7.5036 7.8600 7.8600 8.1616 8.1616 8.3391 8.3391 11.5341 11.5341 12.0909 12.0909 12.4624 12.4624 12.4884 12.4884 k = 0.1790 0.3101 0.3020 ( 3126 PWs) bands (ev): -31.6208 -31.6208 -12.9473 -12.9473 -12.5931 -12.5931 -12.5507 -12.5507 -4.3557 -4.3557 -4.1409 -4.1409 3.3655 3.3655 3.5504 3.5504 4.7576 4.7576 4.8195 4.8195 4.9011 4.9011 5.1345 5.1345 6.4004 6.4004 6.5367 6.5367 6.9423 6.9423 7.0306 7.0306 7.1149 7.1149 7.4411 7.4411 7.5342 7.5342 7.8829 7.8829 8.1745 8.1745 8.3444 8.3444 11.5418 11.5418 12.0952 12.0952 12.3956 12.3956 12.4802 12.4802 k = 0.1728 0.2994 0.3020 ( 3138 PWs) bands (ev): -31.6211 -31.6211 -12.9459 -12.9459 -12.5917 -12.5917 -12.5491 -12.5491 -4.3721 -4.3721 -4.1581 -4.1581 3.3846 3.3846 3.5791 3.5791 4.7666 4.7666 4.8120 4.8120 4.9136 4.9136 5.1334 5.1334 6.4028 6.4028 6.5336 6.5336 6.9632 6.9632 7.0345 7.0345 7.1209 7.1209 7.4711 7.4711 7.5664 7.5664 7.9068 7.9068 8.1872 8.1872 8.3494 8.3494 11.5526 11.5526 12.0975 12.0975 12.3293 12.3293 12.4770 12.4770 k = 0.1667 0.2887 0.3020 ( 3134 PWs) bands (ev): -31.6215 -31.6215 -12.9444 -12.9444 -12.5903 -12.5903 -12.5474 -12.5474 -4.3884 -4.3884 -4.1757 -4.1757 3.4054 3.4054 3.6082 3.6082 4.7734 4.7734 4.8064 4.8064 4.9246 4.9246 5.1321 5.1321 6.4056 6.4056 6.5313 6.5313 6.9804 6.9804 7.0403 7.0403 7.1272 7.1272 7.5031 7.5031 7.6003 7.6003 7.9319 7.9319 8.1995 8.1995 8.3542 8.3542 11.5667 11.5667 12.0968 12.0968 12.2639 12.2639 12.4790 12.4790 k = 0.1605 0.2780 0.3020 ( 3126 PWs) bands (ev): -31.6218 -31.6218 -12.9429 -12.9429 -12.5888 -12.5888 -12.5457 -12.5457 -4.4046 -4.4046 -4.1937 -4.1937 3.4278 3.4278 3.6373 3.6373 4.7776 4.7776 4.8031 4.8031 4.9339 4.9339 5.1308 5.1308 6.4087 6.4087 6.5296 6.5296 6.9928 6.9928 7.0489 7.0489 7.1339 7.1339 7.5369 7.5369 7.6356 7.6356 7.9580 7.9580 8.2114 8.2114 8.3587 8.3587 11.5841 11.5841 12.0922 12.0922 12.1996 12.1996 12.4865 12.4865 k = 0.1543 0.2673 0.3020 ( 3118 PWs) bands (ev): -31.6222 -31.6222 -12.9414 -12.9414 -12.5874 -12.5874 -12.5438 -12.5438 -4.4205 -4.4205 -4.2119 -4.2119 3.4517 3.4517 3.6660 3.6660 4.7795 4.7795 4.8026 4.8026 4.9414 4.9414 5.1295 5.1295 6.4122 6.4122 6.5287 6.5287 7.0008 7.0008 7.0601 7.0601 7.1406 7.1406 7.5723 7.5723 7.6724 7.6724 7.9852 7.9852 8.2226 8.2226 8.3632 8.3632 11.6046 11.6046 12.0825 12.0825 12.1367 12.1367 12.4997 12.4997 k = 0.1481 0.2566 0.3020 ( 3110 PWs) bands (ev): -31.6225 -31.6225 -12.9399 -12.9399 -12.5860 -12.5860 -12.5419 -12.5419 -4.4363 -4.4363 -4.2304 -4.2304 3.4771 3.4771 3.6939 3.6939 4.7801 4.7801 4.8040 4.8040 4.9470 4.9470 5.1284 5.1284 6.4159 6.4159 6.5285 6.5285 7.0056 7.0056 7.0728 7.0728 7.1474 7.1474 7.6092 7.6092 7.7103 7.7103 8.0134 8.0134 8.2332 8.2332 8.3675 8.3675 11.6282 11.6282 12.0634 12.0634 12.0791 12.0791 12.5185 12.5185 k = 0.1420 0.2459 0.3020 ( 3110 PWs) bands (ev): -31.6229 -31.6229 -12.9385 -12.9385 -12.5847 -12.5847 -12.5399 -12.5399 -4.4517 -4.4517 -4.2489 -4.2489 3.5037 3.5037 3.7205 3.7205 4.7803 4.7803 4.8067 4.8067 4.9505 4.9505 5.1275 5.1275 6.4197 6.4197 6.5290 6.5290 7.0088 7.0088 7.0855 7.0855 7.1541 7.1541 7.6474 7.6474 7.7492 7.7492 8.0427 8.0427 8.2430 8.2430 8.3717 8.3717 11.6548 11.6548 12.0107 12.0107 12.0507 12.0507 12.5427 12.5427 k = 0.1358 0.2352 0.3020 ( 3102 PWs) bands (ev): -31.6232 -31.6232 -12.9371 -12.9371 -12.5834 -12.5834 -12.5378 -12.5378 -4.4669 -4.4669 -4.2674 -4.2674 3.5315 3.5315 3.7455 3.7455 4.7808 4.7808 4.8105 4.8105 4.9519 4.9519 5.1269 5.1269 6.4238 6.4238 6.5303 6.5303 7.0111 7.0111 7.0977 7.0977 7.1607 7.1607 7.6869 7.6869 7.7888 7.7888 8.0730 8.0730 8.2520 8.2520 8.3760 8.3760 11.6842 11.6842 11.9519 11.9519 12.0245 12.0245 12.5718 12.5718 k = 0.1296 0.2245 0.3020 ( 3102 PWs) bands (ev): -31.6236 -31.6236 -12.9358 -12.9358 -12.5822 -12.5822 -12.5357 -12.5357 -4.4817 -4.4817 -4.2857 -4.2857 3.5605 3.5605 3.7685 3.7685 4.7813 4.7813 4.8160 4.8160 4.9512 4.9512 5.1267 5.1267 6.4279 6.4279 6.5323 6.5323 7.0131 7.0131 7.1089 7.1089 7.1669 7.1669 7.7275 7.7275 7.8287 7.8287 8.1041 8.1041 8.2604 8.2604 8.3802 8.3802 11.7162 11.7162 11.8941 11.8941 11.9933 11.9933 12.6048 12.6048 k = 0.1235 0.2138 0.3020 ( 3098 PWs) bands (ev): -31.6239 -31.6239 -12.9345 -12.9345 -12.5810 -12.5810 -12.5335 -12.5335 -4.4961 -4.4961 -4.3039 -4.3039 3.5904 3.5904 3.7893 3.7893 4.7813 4.7813 4.8237 4.8237 4.9484 4.9484 5.1269 5.1269 6.4322 6.4322 6.5349 6.5349 7.0151 7.0151 7.1192 7.1192 7.1727 7.1727 7.7694 7.7694 7.8686 7.8686 8.1358 8.1358 8.2684 8.2684 8.3845 8.3845 11.7503 11.7503 11.8384 11.8384 11.9572 11.9572 12.6404 12.6404 k = 0.1173 0.2031 0.3020 ( 3096 PWs) bands (ev): -31.6243 -31.6243 -12.9333 -12.9333 -12.5799 -12.5799 -12.5312 -12.5312 -4.5100 -4.5100 -4.3219 -4.3219 3.6211 3.6211 3.8077 3.8077 4.7805 4.7805 4.8342 4.8342 4.9436 4.9436 5.1274 5.1274 6.4364 6.4364 6.5382 6.5382 7.0173 7.0173 7.1285 7.1285 7.1781 7.1781 7.8124 7.8124 7.9082 7.9082 8.1674 8.1674 8.2767 8.2767 8.3889 8.3889 11.7745 11.7745 11.7965 11.7965 11.9164 11.9164 12.6765 12.6765 k = 0.1111 0.1925 0.3020 ( 3104 PWs) bands (ev): -31.6246 -31.6246 -12.9321 -12.9321 -12.5789 -12.5789 -12.5290 -12.5290 -4.5235 -4.5235 -4.3394 -4.3394 3.6525 3.6525 3.8235 3.8235 4.7788 4.7788 4.8473 4.8473 4.9369 4.9369 5.1282 5.1282 6.4406 6.4406 6.5421 6.5421 7.0196 7.0196 7.1368 7.1368 7.1829 7.1829 7.8566 7.8566 7.9470 7.9470 8.1975 8.1975 8.2863 8.2863 8.3933 8.3933 11.7287 11.7287 11.8285 11.8285 11.8713 11.8713 12.7095 12.7095 k = 0.1049 0.1818 0.3020 ( 3100 PWs) bands (ev): -31.6249 -31.6249 -12.9310 -12.9310 -12.5779 -12.5779 -12.5267 -12.5267 -4.5365 -4.5365 -4.3565 -4.3565 3.6845 3.6845 3.8368 3.8368 4.7763 4.7763 4.8631 4.8631 4.9287 4.9287 5.1292 5.1292 6.4447 6.4447 6.5465 6.5465 7.0223 7.0223 7.1443 7.1443 7.1872 7.1872 7.9020 7.9020 7.9851 7.9851 8.2237 8.2237 8.2996 8.2996 8.3979 8.3979 11.6787 11.6787 11.8218 11.8218 11.8688 11.8688 12.7333 12.7333 k = 0.0988 0.1711 0.3020 ( 3096 PWs) bands (ev): -31.6252 -31.6252 -12.9299 -12.9299 -12.5770 -12.5770 -12.5244 -12.5244 -4.5489 -4.5489 -4.3731 -4.3731 3.7169 3.7169 3.8477 3.8477 4.7733 4.7733 4.8809 4.8809 4.9190 4.9190 5.1304 5.1304 6.4488 6.4488 6.5513 6.5513 7.0253 7.0253 7.1510 7.1510 7.1909 7.1909 7.9484 7.9484 8.0221 8.0221 8.2429 8.2429 8.3191 8.3191 8.4031 8.4031 11.6308 11.6308 11.7689 11.7689 11.9101 11.9101 12.7390 12.7390 k = 0.0926 0.1604 0.3020 ( 3096 PWs) bands (ev): -31.6255 -31.6255 -12.9290 -12.9290 -12.5761 -12.5761 -12.5221 -12.5221 -4.5608 -4.5608 -4.3890 -4.3890 3.7495 3.7495 3.8563 3.8563 4.7698 4.7698 4.8988 4.8988 4.9096 4.9096 5.1316 5.1316 6.4528 6.4528 6.5565 6.5565 7.0286 7.0286 7.1568 7.1568 7.1939 7.1939 7.9956 7.9956 8.0581 8.0581 8.2549 8.2549 8.3438 8.3438 8.4097 8.4097 11.5854 11.5854 11.7122 11.7122 11.9522 11.9522 12.7223 12.7223 k = 0.0864 0.1497 0.3020 ( 3098 PWs) bands (ev): -31.6258 -31.6258 -12.9281 -12.9281 -12.5754 -12.5754 -12.5198 -12.5198 -4.5720 -4.5720 -4.4043 -4.4043 3.7821 3.7821 3.8628 3.8628 4.7660 4.7660 4.8940 4.8940 4.9231 4.9231 5.1328 5.1328 6.4567 6.4567 6.5619 6.5619 7.0323 7.0323 7.1620 7.1620 7.1963 7.1963 8.0429 8.0429 8.0933 8.0933 8.2623 8.2623 8.3685 8.3685 8.4204 8.4204 11.5427 11.5427 11.6522 11.6522 11.9943 11.9943 12.6885 12.6885 k = 0.0802 0.1390 0.3020 ( 3086 PWs) bands (ev): -31.6261 -31.6261 -12.9272 -12.9272 -12.5746 -12.5746 -12.5176 -12.5176 -4.5826 -4.5826 -4.4189 -4.4189 3.8146 3.8146 3.8675 3.8675 4.7621 4.7621 4.8810 4.8810 4.9447 4.9447 5.1340 5.1340 6.4605 6.4605 6.5676 6.5676 7.0363 7.0363 7.1665 7.1665 7.1981 7.1981 8.0893 8.0893 8.1282 8.1282 8.2677 8.2677 8.3865 8.3865 8.4394 8.4394 11.5029 11.5029 11.5891 11.5891 12.0358 12.0358 12.6450 12.6450 k = 0.0741 0.1283 0.3020 ( 3086 PWs) bands (ev): -31.6263 -31.6263 -12.9264 -12.9264 -12.5740 -12.5740 -12.5155 -12.5155 -4.5925 -4.5925 -4.4326 -4.4326 3.8467 3.8467 3.8707 3.8707 4.7580 4.7580 4.8668 4.8668 4.9669 4.9669 5.1351 5.1351 6.4641 6.4641 6.5732 6.5732 7.0405 7.0405 7.1704 7.1704 7.1992 7.1992 8.1322 8.1322 8.1640 8.1640 8.2728 8.2728 8.3970 8.3970 8.4662 8.4662 11.4662 11.4662 11.5233 11.5233 12.0757 12.0757 12.5972 12.5972 k = 0.0679 0.1176 0.3020 ( 3082 PWs) bands (ev): -31.6266 -31.6266 -12.9257 -12.9257 -12.5734 -12.5734 -12.5134 -12.5134 -4.6018 -4.6018 -4.4455 -4.4455 3.8713 3.8713 3.8794 3.8794 4.7540 4.7540 4.8520 4.8520 4.9891 4.9891 5.1363 5.1363 6.4675 6.4675 6.5789 6.5789 7.0450 7.0450 7.1738 7.1738 7.1998 7.1998 8.1685 8.1685 8.2016 8.2016 8.2799 8.2799 8.4042 8.4042 8.4960 8.4960 11.4324 11.4324 11.4559 11.4559 12.1134 12.1134 12.5489 12.5489 k = 0.0617 0.1069 0.3020 ( 3078 PWs) bands (ev): -31.6268 -31.6268 -12.9251 -12.9251 -12.5729 -12.5729 -12.5114 -12.5114 -4.6103 -4.6103 -4.4574 -4.4574 3.8727 3.8727 3.9095 3.9095 4.7500 4.7500 4.8368 4.8368 5.0107 5.0107 5.1374 5.1374 6.4708 6.4708 6.5844 6.5844 7.0496 7.0496 7.1767 7.1767 7.1999 7.1999 8.1978 8.1978 8.2358 8.2358 8.2933 8.2933 8.4114 8.4114 8.5259 8.5259 11.3850 11.3850 11.4041 11.4041 12.1479 12.1479 12.5022 12.5022 k = 0.0556 0.0962 0.3020 ( 3074 PWs) bands (ev): -31.6270 -31.6270 -12.9245 -12.9245 -12.5724 -12.5724 -12.5096 -12.5096 -4.6181 -4.6181 -4.4684 -4.4684 3.8726 3.8726 3.9390 3.9390 4.7463 4.7463 4.8214 4.8214 5.0312 5.0312 5.1387 5.1387 6.4738 6.4738 6.5897 6.5897 7.0543 7.0543 7.1792 7.1792 7.1995 7.1995 8.2201 8.2201 8.2597 8.2597 8.3174 8.3174 8.4212 8.4212 8.5547 8.5547 11.3161 11.3161 11.3769 11.3769 12.1784 12.1784 12.4585 12.4585 k = 0.0494 0.0855 0.3020 ( 3080 PWs) bands (ev): -31.6272 -31.6272 -12.9240 -12.9240 -12.5720 -12.5720 -12.5079 -12.5079 -4.6251 -4.6251 -4.4783 -4.4783 3.8719 3.8719 3.9672 3.9672 4.7427 4.7427 4.8060 4.8060 5.0501 5.0501 5.1401 5.1401 6.4766 6.4766 6.5946 6.5946 7.0589 7.0589 7.1811 7.1811 7.1987 7.1987 8.2345 8.2345 8.2782 8.2782 8.3443 8.3443 8.4372 8.4372 8.5816 8.5816 11.2476 11.2476 11.3537 11.3537 12.2043 12.2043 12.4189 12.4189 k = 0.0432 0.0748 0.3020 ( 3076 PWs) bands (ev): -31.6274 -31.6274 -12.9236 -12.9236 -12.5716 -12.5716 -12.5064 -12.5064 -4.6313 -4.6313 -4.4872 -4.4872 3.8708 3.8708 3.9936 3.9936 4.7393 4.7393 4.7911 4.7911 5.0670 5.0670 5.1418 5.1418 6.4791 6.4791 6.5992 6.5992 7.0636 7.0636 7.1827 7.1827 7.1976 7.1976 8.2420 8.2420 8.2967 8.2967 8.3639 8.3639 8.4622 8.4622 8.6065 8.6065 11.1813 11.1813 11.3339 11.3339 12.2253 12.2253 12.3837 12.3837 k = 0.0370 0.0642 0.3020 ( 3080 PWs) bands (ev): -31.6275 -31.6275 -12.9232 -12.9232 -12.5713 -12.5713 -12.5050 -12.5050 -4.6367 -4.6367 -4.4949 -4.4949 3.8695 3.8695 4.0179 4.0179 4.7363 4.7363 4.7770 4.7770 5.0816 5.0816 5.1440 5.1440 6.4813 6.4813 6.6033 6.6033 7.0678 7.0678 7.1840 7.1840 7.1964 7.1964 8.2457 8.2457 8.3147 8.3147 8.3755 8.3755 8.4931 8.4931 8.6293 8.6293 11.1190 11.1190 11.3174 11.3174 12.2414 12.2414 12.3531 12.3531 k = 0.0309 0.0535 0.3020 ( 3080 PWs) bands (ev): -31.6277 -31.6277 -12.9229 -12.9229 -12.5711 -12.5711 -12.5039 -12.5039 -4.6413 -4.6413 -4.5016 -4.5016 3.8681 3.8681 4.0395 4.0395 4.7336 4.7336 4.7641 4.7641 5.0933 5.0933 5.1467 5.1467 6.4833 6.4833 6.6069 6.6069 7.0718 7.0718 7.1850 7.1850 7.1951 7.1951 8.2476 8.2476 8.3308 8.3308 8.3825 8.3825 8.5244 8.5244 8.6500 8.6500 11.0621 11.0621 11.3041 11.3041 12.2530 12.2530 12.3274 12.3274 k = 0.0247 0.0428 0.3020 ( 3072 PWs) bands (ev): -31.6278 -31.6278 -12.9226 -12.9226 -12.5708 -12.5708 -12.5029 -12.5029 -4.6451 -4.6451 -4.5070 -4.5070 3.8669 3.8669 4.0581 4.0581 4.7311 4.7311 4.7530 4.7530 5.1022 5.1022 5.1499 5.1499 6.4849 6.4849 6.6099 6.6099 7.0754 7.0754 7.1857 7.1857 7.1939 7.1939 8.2485 8.2485 8.3441 8.3441 8.3876 8.3876 8.5523 8.5523 8.6687 8.6687 11.0125 11.0125 11.2936 11.2936 12.2607 12.2607 12.3065 12.3065 k = 0.0185 0.0321 0.3020 ( 3074 PWs) bands (ev): -31.6278 -31.6278 -12.9224 -12.9224 -12.5707 -12.5707 -12.5021 -12.5021 -4.6481 -4.6481 -4.5113 -4.5113 3.8658 3.8658 4.0732 4.0732 4.7287 4.7287 4.7441 4.7441 5.1083 5.1083 5.1534 5.1534 6.4862 6.4862 6.6123 6.6123 7.0783 7.0783 7.1860 7.1860 7.1929 7.1929 8.2489 8.2489 8.3540 8.3540 8.3919 8.3919 8.5746 8.5746 8.6848 8.6848 10.9718 10.9718 11.2858 11.2858 12.2654 12.2654 12.2903 12.2903 k = 0.0123 0.0214 0.3020 ( 3068 PWs) bands (ev): -31.6279 -31.6279 -12.9223 -12.9223 -12.5706 -12.5706 -12.5015 -12.5015 -4.6502 -4.6502 -4.5143 -4.5143 3.8649 3.8649 4.0844 4.0844 4.7264 4.7264 4.7381 4.7381 5.1122 5.1122 5.1565 5.1565 6.4871 6.4871 6.6141 6.6141 7.0806 7.0806 7.1862 7.1862 7.1922 7.1922 8.2491 8.2491 8.3604 8.3604 8.3956 8.3956 8.5904 8.5904 8.6976 8.6976 10.9415 10.9415 11.2804 11.2804 12.2680 12.2680 12.2787 12.2787 k = 0.0062 0.0107 0.3020 ( 3062 PWs) bands (ev): -31.6279 -31.6279 -12.9222 -12.9222 -12.5705 -12.5705 -12.5012 -12.5012 -4.6515 -4.6515 -4.5162 -4.5162 3.8644 3.8644 4.0912 4.0912 4.7244 4.7244 4.7350 4.7350 5.1143 5.1143 5.1586 5.1586 6.4877 6.4877 6.6152 6.6152 7.0820 7.0820 7.1862 7.1862 7.1919 7.1919 8.2492 8.2492 8.3639 8.3639 8.3982 8.3982 8.5998 8.5998 8.7059 8.7059 10.9228 10.9228 11.2773 11.2773 12.2692 12.2692 12.2719 12.2719 k = 0.0000 0.0000 0.3020 ( 3050 PWs) bands (ev): -31.6279 -31.6279 -12.9221 -12.9221 -12.5704 -12.5704 -12.5010 -12.5010 -4.6519 -4.6519 -4.5168 -4.5168 3.8642 3.8642 4.0935 4.0935 4.7236 4.7236 4.7341 4.7341 5.1150 5.1150 5.1594 5.1594 6.4880 6.4880 6.6156 6.6156 7.0824 7.0824 7.1862 7.1862 7.1919 7.1919 8.2493 8.2493 8.3650 8.3650 8.3992 8.3992 8.6029 8.6029 8.7088 8.7088 10.9165 10.9165 11.2762 11.2762 12.2694 12.2694 12.2698 12.2698 k = 0.5000 0.2887 0.3020 ( 3140 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6187 -12.6187 -12.5474 -12.5474 -4.2236 -4.2236 -3.9400 -3.9400 2.8852 2.8852 3.2508 3.2508 4.8609 4.8609 4.9778 4.9778 5.0086 5.0086 5.0603 5.0603 6.4230 6.4230 6.5478 6.5478 6.8007 6.8007 6.9330 6.9330 7.1937 7.1937 7.2812 7.2812 7.3248 7.3248 7.4270 7.4270 8.1632 8.1632 8.4766 8.4766 10.9087 10.9087 11.8864 11.8864 11.9324 11.9324 13.1818 13.1818 k = 0.5000 0.2887 0.2899 ( 3130 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6186 -12.6186 -12.5474 -12.5474 -4.2233 -4.2233 -3.9403 -3.9403 2.8860 2.8860 3.2516 3.2516 4.8594 4.8594 4.9777 4.9777 5.0074 5.0074 5.0616 5.0616 6.4231 6.4231 6.5478 6.5478 6.8005 6.8005 6.9330 6.9330 7.1938 7.1938 7.2811 7.2811 7.3250 7.3250 7.4269 7.4269 8.1604 8.1604 8.4760 8.4760 10.9092 10.9092 11.8683 11.8683 11.9573 11.9573 13.1830 13.1830 k = 0.5000 0.2887 0.2778 ( 3124 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6186 -12.6186 -12.5474 -12.5474 -4.2226 -4.2226 -3.9412 -3.9412 2.8882 2.8882 3.2542 3.2542 4.8546 4.8546 4.9775 4.9775 5.0041 5.0041 5.0652 5.0652 6.4232 6.4232 6.5478 6.5478 6.8001 6.8001 6.9329 6.9329 7.1939 7.1939 7.2808 7.2808 7.3256 7.3256 7.4267 7.4267 8.1518 8.1518 8.4741 8.4741 10.9106 10.9106 11.8428 11.8428 12.0029 12.0029 13.1865 13.1865 k = 0.5000 0.2887 0.2658 ( 3132 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6186 -12.6186 -12.5474 -12.5474 -4.2214 -4.2214 -3.9427 -3.9427 2.8919 2.8919 3.2584 3.2584 4.8471 4.8471 4.9767 4.9767 4.9995 4.9995 5.0703 5.0703 6.4234 6.4234 6.5478 6.5478 6.7992 6.7992 6.9328 6.9328 7.1939 7.1939 7.2802 7.2802 7.3264 7.3264 7.4263 7.4263 8.1377 8.1377 8.4708 8.4708 10.9128 10.9128 11.8213 11.8213 12.0580 12.0580 13.1920 13.1920 k = 0.5000 0.2887 0.2537 ( 3124 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6186 -12.6186 -12.5474 -12.5474 -4.2197 -4.2197 -3.9447 -3.9447 2.8969 2.8969 3.2643 3.2643 4.8372 4.8372 4.9750 4.9750 4.9942 4.9942 5.0764 5.0764 6.4237 6.4237 6.5478 6.5478 6.7982 6.7982 6.9327 6.9327 7.1940 7.1940 7.2795 7.2795 7.3276 7.3276 7.4257 7.4257 8.1185 8.1185 8.4665 8.4665 10.9158 10.9158 11.8046 11.8046 12.1213 12.1213 13.1990 13.1990 k = 0.5000 0.2887 0.2416 ( 3132 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6186 -12.6186 -12.5474 -12.5474 -4.2176 -4.2176 -3.9474 -3.9474 2.9033 2.9033 3.2718 3.2718 4.8252 4.8252 4.9720 4.9720 4.9887 4.9887 5.0830 5.0830 6.4239 6.4239 6.5478 6.5478 6.7968 6.7968 6.9326 6.9326 7.1941 7.1941 7.2786 7.2786 7.3290 7.3290 7.4250 7.4250 8.0945 8.0945 8.4610 8.4610 10.9195 10.9195 11.7927 11.7927 12.1926 12.1926 13.2069 13.2069 k = 0.5000 0.2887 0.2295 ( 3132 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6186 -12.6186 -12.5474 -12.5474 -4.2150 -4.2150 -3.9506 -3.9506 2.9110 2.9110 3.2807 3.2807 4.8117 4.8117 4.9677 4.9677 4.9830 4.9830 5.0899 5.0899 6.4243 6.4243 6.5478 6.5478 6.7951 6.7951 6.9326 6.9326 7.1943 7.1943 7.2777 7.2777 7.3306 7.3306 7.4241 7.4241 8.0664 8.0664 8.4546 8.4546 10.9237 10.9237 11.7856 11.7856 12.2717 12.2717 13.2149 13.2149 k = 0.5000 0.2887 0.2174 ( 3132 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6186 -12.6186 -12.5474 -12.5474 -4.2119 -4.2119 -3.9543 -3.9543 2.9199 2.9199 3.2912 3.2912 4.7970 4.7970 4.9620 4.9620 4.9771 4.9771 5.0970 5.0970 6.4247 6.4247 6.5478 6.5478 6.7933 6.7933 6.9327 6.9327 7.1947 7.1947 7.2765 7.2765 7.3323 7.3323 7.4232 7.4232 8.0347 8.0347 8.4474 8.4474 10.9282 10.9282 11.7831 11.7831 12.3583 12.3583 13.2221 13.2221 k = 0.5000 0.2887 0.2054 ( 3134 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6187 -12.6187 -12.5474 -12.5474 -4.2084 -4.2084 -3.9586 -3.9586 2.9298 2.9298 3.3029 3.3029 4.7813 4.7813 4.9552 4.9552 4.9707 4.9707 5.1040 5.1040 6.4252 6.4252 6.5479 6.5479 6.7912 6.7912 6.9329 6.9329 7.1951 7.1951 7.2754 7.2754 7.3342 7.3342 7.4222 7.4222 8.0001 8.0001 8.4395 8.4395 10.9328 10.9328 11.7851 11.7851 12.4521 12.4521 13.2277 13.2277 k = 0.5000 0.2887 0.1933 ( 3134 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6187 -12.6187 -12.5474 -12.5474 -4.2045 -4.2045 -3.9633 -3.9633 2.9406 2.9406 3.3158 3.3158 4.7651 4.7651 4.9473 4.9473 4.9638 4.9638 5.1111 5.1111 6.4258 6.4258 6.5479 6.5479 6.7890 6.7890 6.9333 6.9333 7.1956 7.1956 7.2742 7.2742 7.3360 7.3360 7.4211 7.4211 7.9633 7.9633 8.4310 8.4310 10.9374 10.9374 11.7916 11.7916 12.5527 12.5527 13.2308 13.2308 k = 0.5000 0.2887 0.1812 ( 3122 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6186 -12.6186 -12.5473 -12.5473 -4.2002 -4.2002 -3.9685 -3.9685 2.9523 2.9523 3.3299 3.3299 4.7487 4.7487 4.9379 4.9379 4.9568 4.9568 5.1179 5.1179 6.4264 6.4264 6.5482 6.5482 6.7867 6.7867 6.9339 6.9339 7.1964 7.1964 7.2730 7.2730 7.3379 7.3379 7.4199 7.4199 7.9250 7.9250 8.4223 8.4223 10.9417 10.9417 11.8026 11.8026 12.6594 12.6594 13.2308 13.2308 k = 0.5000 0.2887 0.1691 ( 3122 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6186 -12.6186 -12.5473 -12.5473 -4.1955 -4.1955 -3.9741 -3.9741 2.9646 2.9646 3.3447 3.3447 4.7323 4.7323 4.9268 4.9268 4.9500 4.9500 5.1246 5.1246 6.4270 6.4270 6.5484 6.5484 6.7843 6.7843 6.9349 6.9349 7.1972 7.1972 7.2717 7.2717 7.3396 7.3396 7.4187 7.4187 7.8859 7.8859 8.4131 8.4131 10.9456 10.9456 11.8180 11.8180 12.7718 12.7718 13.2270 13.2270 k = 0.5000 0.2887 0.1570 ( 3120 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6186 -12.6186 -12.5473 -12.5473 -4.1904 -4.1904 -3.9801 -3.9801 2.9773 2.9773 3.3603 3.3603 4.7163 4.7163 4.9137 4.9137 4.9436 4.9436 5.1310 5.1310 6.4277 6.4277 6.5485 6.5485 6.7819 6.7819 6.9361 6.9361 7.1982 7.1982 7.2704 7.2704 7.3410 7.3410 7.4174 7.4174 7.8466 7.8466 8.4037 8.4037 10.9490 10.9490 11.8376 11.8376 12.8891 12.8891 13.2193 13.2193 k = 0.5000 0.2887 0.1450 ( 3122 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6186 -12.6186 -12.5473 -12.5473 -4.1850 -4.1850 -3.9865 -3.9865 2.9904 2.9904 3.3764 3.3764 4.7010 4.7010 4.8988 4.8988 4.9378 4.9378 5.1371 5.1371 6.4283 6.4283 6.5487 6.5487 6.7795 6.7795 6.9377 6.9377 7.1995 7.1995 7.2691 7.2691 7.3422 7.3422 7.4160 7.4160 7.8079 7.8079 8.3942 8.3942 10.9518 10.9518 11.8612 11.8612 13.0100 13.0100 13.2081 13.2081 k = 0.5000 0.2887 0.1329 ( 3118 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6186 -12.6186 -12.5473 -12.5473 -4.1792 -4.1792 -3.9931 -3.9931 3.0036 3.0036 3.3926 3.3926 4.6868 4.6868 4.8823 4.8823 4.9324 4.9324 5.1429 5.1429 6.4289 6.4289 6.5489 6.5489 6.7773 6.7773 6.9398 6.9398 7.2009 7.2009 7.2678 7.2678 7.3430 7.3430 7.4145 7.4145 7.7703 7.7703 8.3849 8.3849 10.9540 10.9540 11.8885 11.8885 13.1275 13.1275 13.1998 13.1998 k = 0.5000 0.2887 0.1208 ( 3116 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6186 -12.6186 -12.5473 -12.5473 -4.1732 -4.1732 -4.0001 -4.0001 3.0167 3.0167 3.4089 3.4089 4.6738 4.6738 4.8644 4.8644 4.9276 4.9276 5.1483 5.1483 6.4296 6.4296 6.5491 6.5491 6.7752 6.7752 6.9421 6.9421 7.2025 7.2025 7.2666 7.2666 7.3431 7.3431 7.4130 7.4130 7.7344 7.7344 8.3758 8.3758 10.9556 10.9556 11.9190 11.9190 13.1584 13.1584 13.2770 13.2770 k = 0.5000 0.2887 0.1087 ( 3112 PWs) bands (ev): -31.6175 -31.6175 -12.9665 -12.9665 -12.6186 -12.6186 -12.5473 -12.5473 -4.1669 -4.1669 -4.0072 -4.0072 3.0294 3.0294 3.4248 3.4248 4.6624 4.6624 4.8454 4.8454 4.9232 4.9232 5.1533 5.1533 6.4302 6.4302 6.5492 6.5492 6.7733 6.7733 6.9449 6.9449 7.2043 7.2043 7.2654 7.2654 7.3425 7.3425 7.4114 7.4114 7.7008 7.7008 8.3671 8.3671 10.9567 10.9567 11.9523 11.9523 13.1370 13.1370 13.4051 13.4051 k = 0.5000 0.2887 0.0966 ( 3116 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6186 -12.6186 -12.5473 -12.5473 -4.1604 -4.1604 -4.0145 -4.0145 3.0417 3.0417 3.4401 3.4401 4.6528 4.6528 4.8256 4.8256 4.9193 4.9193 5.1579 5.1579 6.4308 6.4308 6.5493 6.5493 6.7715 6.7715 6.9480 6.9480 7.2064 7.2064 7.2642 7.2642 7.3410 7.3410 7.4098 7.4098 7.6700 7.6700 8.3589 8.3589 10.9573 10.9573 11.9875 11.9875 13.1095 13.1095 13.5373 13.5373 k = 0.5000 0.2887 0.0846 ( 3116 PWs) bands (ev): -31.6176 -31.6176 -12.9665 -12.9665 -12.6187 -12.6187 -12.5473 -12.5473 -4.1538 -4.1538 -4.0219 -4.0219 3.0532 3.0532 3.4545 3.4545 4.6454 4.6454 4.8054 4.8054 4.9158 4.9158 5.1620 5.1620 6.4313 6.4313 6.5493 6.5493 6.7701 6.7701 6.9515 6.9515 7.2086 7.2086 7.2631 7.2631 7.3383 7.3383 7.4082 7.4082 7.6425 7.6425 8.3513 8.3513 10.9576 10.9576 12.0240 12.0240 13.0791 13.0791 13.6698 13.6698 k = 0.5000 0.2887 0.0725 ( 3120 PWs) bands (ev): -31.6176 -31.6176 -12.9666 -12.9666 -12.6187 -12.6187 -12.5473 -12.5473 -4.1472 -4.1472 -4.0292 -4.0292 3.0637 3.0637 3.4676 3.4676 4.6403 4.6403 4.7852 4.7852 4.9128 4.9128 5.1656 5.1656 6.4318 6.4318 6.5493 6.5493 6.7688 6.7688 6.9550 6.9550 7.2111 7.2111 7.2620 7.2620 7.3346 7.3346 7.4068 7.4068 7.6187 7.6187 8.3444 8.3444 10.9575 10.9575 12.0606 12.0606 13.0473 13.0473 13.7988 13.7988 k = 0.5000 0.2887 0.0604 ( 3120 PWs) bands (ev): -31.6176 -31.6176 -12.9666 -12.9666 -12.6187 -12.6187 -12.5473 -12.5473 -4.1406 -4.1406 -4.0363 -4.0363 3.0730 3.0730 3.4793 3.4793 4.6377 4.6377 4.7653 4.7653 4.9102 4.9102 5.1687 5.1687 6.4322 6.4322 6.5492 6.5492 6.7677 6.7677 6.9585 6.9585 7.2138 7.2138 7.2610 7.2610 7.3299 7.3299 7.4056 7.4056 7.5987 7.5987 8.3384 8.3384 10.9574 10.9574 12.0962 12.0962 13.0155 13.0155 13.9115 13.9115 k = 0.5000 0.2887 0.0483 ( 3124 PWs) bands (ev): -31.6176 -31.6176 -12.9666 -12.9666 -12.6187 -12.6187 -12.5473 -12.5473 -4.1343 -4.1343 -4.0432 -4.0432 3.0809 3.0809 3.4893 3.4893 4.6374 4.6374 4.7462 4.7462 4.9081 4.9081 5.1712 5.1712 6.4326 6.4326 6.5492 6.5492 6.7668 6.7668 6.9617 6.9617 7.2166 7.2166 7.2600 7.2600 7.3246 7.3246 7.4046 7.4046 7.5828 7.5828 8.3334 8.3334 10.9571 10.9571 12.1293 12.1293 12.9853 12.9853 13.9651 13.9656 k = 0.5000 0.2887 0.0362 ( 3128 PWs) bands (ev): -31.6176 -31.6176 -12.9666 -12.9666 -12.6187 -12.6187 -12.5473 -12.5473 -4.1285 -4.1285 -4.0493 -4.0493 3.0873 3.0873 3.4973 3.4973 4.6394 4.6394 4.7287 4.7287 4.9064 4.9064 5.1732 5.1732 6.4329 6.4329 6.5491 6.5491 6.7662 6.7662 6.9646 6.9646 7.2194 7.2194 7.2591 7.2591 7.3191 7.3191 7.4039 7.4039 7.5707 7.5707 8.3294 8.3294 10.9568 10.9568 12.1581 12.1581 12.9586 12.9586 13.9764 13.9766 k = 0.5000 0.2887 0.0242 ( 3128 PWs) bands (ev): -31.6176 -31.6176 -12.9666 -12.9666 -12.6187 -12.6187 -12.5473 -12.5473 -4.1237 -4.1237 -4.0544 -4.0544 3.0920 3.0920 3.5031 3.5031 4.6432 4.6432 4.7136 4.7136 4.9052 4.9052 5.1746 5.1746 6.4331 6.4331 6.5490 6.5490 6.7657 6.7657 6.9668 6.9668 7.2218 7.2218 7.2584 7.2584 7.3144 7.3144 7.4034 7.4034 7.5622 7.5622 8.3264 8.3264 10.9565 10.9565 12.1807 12.1807 12.9375 12.9375 13.9805 13.9812 k = 0.5000 0.2887 0.0121 ( 3124 PWs) bands (ev): -31.6176 -31.6176 -12.9666 -12.9666 -12.6187 -12.6187 -12.5473 -12.5473 -4.1204 -4.1204 -4.0579 -4.0579 3.0948 3.0948 3.5067 3.5067 4.6473 4.6473 4.7025 4.7025 4.9045 4.9045 5.1755 5.1755 6.4332 6.4332 6.5490 6.5490 6.7655 6.7655 6.9683 6.9683 7.2235 7.2235 7.2579 7.2579 7.3112 7.3112 7.4031 7.4031 7.5573 7.5573 8.3247 8.3247 10.9564 10.9564 12.1952 12.1952 12.9238 12.9238 13.9821 13.9825 k = 0.5000 0.2887-0.0000 ( 3126 PWs) bands (ev): -31.6176 -31.6176 -12.9666 -12.9666 -12.6187 -12.6187 -12.5473 -12.5473 -4.1192 -4.1192 -4.0592 -4.0592 3.0958 3.0958 3.5079 3.5079 4.6493 4.6493 4.6982 4.6982 4.9043 4.9043 5.1758 5.1758 6.4333 6.4333 6.5490 6.5490 6.7654 6.7654 6.9688 6.9688 7.2242 7.2242 7.2577 7.2577 7.3100 7.3100 7.4030 7.4030 7.5557 7.5557 8.3241 8.3241 10.9563 10.9563 12.2002 12.2002 12.9191 12.9191 13.9827 13.9836 k = 0.3333 0.5774-0.0000 ( 3108 PWs) bands (ev): -31.6162 -31.6162 -12.9656 -12.9656 -12.6098 -12.6098 -12.5751 -12.5751 -4.0233 -4.0233 -4.0230 -4.0230 3.5702 3.5702 3.5971 3.5971 3.9806 3.9806 4.6133 4.6133 4.8337 4.8337 4.8429 4.8429 6.3617 6.3617 6.4535 6.4535 6.8454 6.8454 6.9073 6.9073 7.0666 7.0666 7.1807 7.1807 7.1937 7.1937 7.4745 7.4745 7.6120 7.6120 8.3411 8.3411 12.4478 12.4478 12.4886 12.4886 12.5114 12.5114 13.0875 13.0876 k = 0.3333 0.5774 0.0121 ( 3120 PWs) bands (ev): -31.6163 -31.6163 -12.9657 -12.9657 -12.6098 -12.6098 -12.5752 -12.5752 -4.0233 -4.0233 -4.0230 -4.0230 3.5693 3.5693 3.5962 3.5962 3.9811 3.9811 4.6129 4.6129 4.8347 4.8347 4.8439 4.8439 6.3617 6.3617 6.4535 6.4535 6.8450 6.8450 6.9069 6.9069 7.0665 7.0665 7.1810 7.1810 7.1935 7.1935 7.4756 7.4756 7.6128 7.6128 8.3404 8.3404 12.4499 12.4499 12.4863 12.4863 12.5090 12.5090 13.0897 13.0897 k = 0.3333 0.5774 0.0242 ( 3120 PWs) bands (ev): -31.6163 -31.6163 -12.9657 -12.9657 -12.6098 -12.6098 -12.5752 -12.5752 -4.0233 -4.0233 -4.0230 -4.0230 3.5667 3.5667 3.5934 3.5934 3.9825 3.9825 4.6116 4.6116 4.8378 4.8378 4.8468 4.8468 6.3618 6.3618 6.4536 6.4536 6.8441 6.8441 6.9062 6.9062 7.0663 7.0663 7.1819 7.1819 7.1929 7.1929 7.4791 7.4791 7.6152 7.6152 8.3382 8.3382 12.4565 12.4565 12.4796 12.4796 12.5019 12.5019 13.0964 13.0964 k = 0.3333 0.5774 0.0362 ( 3129 PWs) bands (ev): -31.6163 -31.6163 -12.9657 -12.9657 -12.6098 -12.6098 -12.5752 -12.5752 -4.0233 -4.0233 -4.0230 -4.0230 3.5624 3.5624 3.5888 3.5888 3.9849 3.9849 4.6095 4.6095 4.8430 4.8430 4.8517 4.8517 6.3619 6.3619 6.4539 6.4539 6.8425 6.8425 6.9050 6.9050 7.0661 7.0661 7.1833 7.1833 7.1918 7.1918 7.4848 7.4848 7.6193 7.6193 8.3347 8.3347 12.4673 12.4673 12.4687 12.4687 12.4906 12.4906 13.1070 13.1071 k = 0.3333 0.5774 0.0483 ( 3129 PWs) bands (ev): -31.6163 -31.6163 -12.9657 -12.9657 -12.6098 -12.6098 -12.5752 -12.5752 -4.0233 -4.0233 -4.0229 -4.0229 3.5566 3.5566 3.5826 3.5826 3.9882 3.9882 4.6065 4.6065 4.8500 4.8500 4.8583 4.8583 6.3623 6.3623 6.4542 6.4542 6.8405 6.8405 6.9034 6.9034 7.0658 7.0658 7.1853 7.1853 7.1905 7.1905 7.4926 7.4926 7.6250 7.6250 8.3298 8.3298 12.4542 12.4542 12.4743 12.4743 12.4834 12.4834 13.1214 13.1214 k = 0.3333 0.5774 0.0604 ( 3123 PWs) bands (ev): -31.6163 -31.6163 -12.9657 -12.9657 -12.6097 -12.6097 -12.5752 -12.5752 -4.0232 -4.0232 -4.0229 -4.0229 3.5493 3.5493 3.5748 3.5748 3.9925 3.9925 4.6028 4.6028 4.8587 4.8587 4.8665 4.8665 6.3627 6.3627 6.4546 6.4546 6.8380 6.8380 6.9014 6.9014 7.0654 7.0654 7.1878 7.1878 7.1889 7.1889 7.5025 7.5025 7.6322 7.6322 8.3237 8.3237 12.4364 12.4364 12.4563 12.4563 12.5019 12.5019 13.1390 13.1394 k = 0.3333 0.5774 0.0725 ( 3120 PWs) bands (ev): -31.6163 -31.6163 -12.9657 -12.9657 -12.6097 -12.6097 -12.5752 -12.5752 -4.0232 -4.0232 -4.0228 -4.0228 3.5407 3.5407 3.5657 3.5657 3.9976 3.9976 4.5982 4.5982 4.8689 4.8689 4.8762 4.8762 6.3632 6.3632 6.4551 6.4551 6.8350 6.8350 6.8990 6.8990 7.0648 7.0648 7.1872 7.1872 7.1906 7.1906 7.5141 7.5141 7.6410 7.6410 8.3166 8.3166 12.4160 12.4160 12.4350 12.4350 12.5248 12.5248 13.1590 13.1590 k = 0.3333 0.5774 0.0846 ( 3111 PWs) bands (ev): -31.6162 -31.6162 -12.9656 -12.9656 -12.6097 -12.6097 -12.5751 -12.5751 -4.0231 -4.0231 -4.0228 -4.0228 3.5311 3.5311 3.5556 3.5556 4.0035 4.0035 4.5930 4.5930 4.8804 4.8804 4.8871 4.8871 6.3638 6.3638 6.4556 6.4556 6.8318 6.8318 6.8964 6.8964 7.0642 7.0642 7.1853 7.1853 7.1938 7.1938 7.5274 7.5274 7.6511 7.6511 8.3086 8.3086 12.3935 12.3935 12.4116 12.4116 12.5512 12.5512 13.1812 13.1812 k = 0.3333 0.5774 0.0966 ( 3111 PWs) bands (ev): -31.6162 -31.6162 -12.9656 -12.9656 -12.6097 -12.6097 -12.5751 -12.5751 -4.0231 -4.0231 -4.0227 -4.0227 3.5206 3.5206 3.5445 3.5445 4.0103 4.0103 4.5869 4.5869 4.8929 4.8929 4.8990 4.8990 6.3644 6.3644 6.4562 6.4562 6.8282 6.8282 6.8935 6.8935 7.0634 7.0634 7.1833 7.1833 7.1970 7.1970 7.5420 7.5420 7.6625 7.6625 8.2997 8.2997 12.3692 12.3692 12.3864 12.3864 12.5808 12.5808 13.2050 13.2050 k = 0.3333 0.5774 0.1087 ( 3114 PWs) bands (ev): -31.6162 -31.6162 -12.9656 -12.9656 -12.6097 -12.6097 -12.5751 -12.5751 -4.0230 -4.0230 -4.0227 -4.0227 3.5095 3.5095 3.5327 3.5327 4.0177 4.0177 4.5802 4.5802 4.9062 4.9062 4.9116 4.9116 6.3650 6.3650 6.4568 6.4568 6.8243 6.8243 6.8903 6.8903 7.0626 7.0626 7.1813 7.1813 7.2004 7.2004 7.5579 7.5579 7.6752 7.6752 8.2901 8.2901 12.3437 12.3437 12.3600 12.3600 12.6133 12.6133 13.2301 13.2301 k = 0.3333 0.5774 0.1208 ( 3108 PWs) bands (ev): -31.6162 -31.6162 -12.9656 -12.9656 -12.6097 -12.6097 -12.5751 -12.5751 -4.0230 -4.0230 -4.0226 -4.0226 3.4979 3.4979 3.5205 3.5205 4.0259 4.0259 4.5729 4.5729 4.9200 4.9200 4.9248 4.9248 6.3658 6.3658 6.4576 6.4576 6.8204 6.8204 6.8871 6.8871 7.0616 7.0616 7.1794 7.1794 7.2038 7.2038 7.5746 7.5746 7.6889 7.6889 8.2802 8.2802 12.3173 12.3173 12.3327 12.3327 12.6483 12.6483 13.2561 13.2562 k = 0.3333 0.5774 0.1329 ( 3108 PWs) bands (ev): -31.6162 -31.6162 -12.9656 -12.9656 -12.6097 -12.6097 -12.5751 -12.5751 -4.0229 -4.0229 -4.0225 -4.0225 3.4861 3.4861 3.5080 3.5080 4.0346 4.0346 4.5651 4.5651 4.9341 4.9341 4.9382 4.9382 6.3665 6.3665 6.4583 6.4583 6.8163 6.8163 6.8837 6.8837 7.0606 7.0606 7.1775 7.1775 7.2071 7.2071 7.5921 7.5921 7.7034 7.7034 8.2700 8.2700 12.2904 12.2904 12.3050 12.3050 12.6853 12.6853 13.2826 13.2827 k = 0.3333 0.5774 0.1450 ( 3120 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6097 -12.6097 -12.5752 -12.5752 -4.0228 -4.0228 -4.0224 -4.0224 3.4742 3.4742 3.4955 3.4955 4.0439 4.0439 4.5567 4.5567 4.9482 4.9482 4.9517 4.9517 6.3673 6.3673 6.4590 6.4590 6.8122 6.8122 6.8802 6.8802 7.0594 7.0594 7.1757 7.1757 7.2103 7.2103 7.6100 7.6100 7.7186 7.7186 8.2596 8.2596 12.2633 12.2633 12.2771 12.2771 12.7238 12.7238 13.3093 13.3094 k = 0.3333 0.5774 0.1570 ( 3120 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6097 -12.6097 -12.5752 -12.5752 -4.0228 -4.0228 -4.0223 -4.0223 3.4624 3.4624 3.4831 3.4831 4.0535 4.0535 4.5479 4.5479 4.9622 4.9622 4.9651 4.9651 6.3680 6.3680 6.4598 6.4598 6.8082 6.8082 6.8769 6.8769 7.0582 7.0582 7.1740 7.1740 7.2133 7.2133 7.6280 7.6280 7.7343 7.7343 8.2493 8.2493 12.2364 12.2364 12.2494 12.2494 12.7635 12.7635 13.3359 13.3363 k = 0.3333 0.5774 0.1691 ( 3123 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6097 -12.6097 -12.5752 -12.5752 -4.0227 -4.0227 -4.0223 -4.0223 3.4510 3.4510 3.4711 3.4711 4.0634 4.0634 4.5389 4.5389 4.9757 4.9757 4.9781 4.9781 6.3688 6.3688 6.4605 6.4605 6.8043 6.8043 6.8736 6.8736 7.0569 7.0569 7.1723 7.1723 7.2162 7.2162 7.6460 7.6460 7.7501 7.7501 8.2393 8.2393 12.2100 12.2100 12.2223 12.2223 12.8037 12.8037 13.3624 13.3624 k = 0.3333 0.5774 0.1812 ( 3123 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6097 -12.6097 -12.5752 -12.5752 -4.0227 -4.0227 -4.0222 -4.0222 3.4401 3.4401 3.4596 3.4596 4.0735 4.0735 4.5297 4.5297 4.9887 4.9887 4.9906 4.9906 6.3695 6.3695 6.4613 6.4613 6.8006 6.8006 6.8704 6.8704 7.0556 7.0556 7.1709 7.1709 7.2189 7.2189 7.6636 7.6636 7.7658 7.7658 8.2298 8.2298 12.1843 12.1843 12.1961 12.1961 12.8438 12.8438 13.3881 13.3882 k = 0.3333 0.5774 0.1933 ( 3129 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6097 -12.6097 -12.5752 -12.5752 -4.0226 -4.0226 -4.0221 -4.0221 3.4297 3.4297 3.4488 3.4488 4.0837 4.0837 4.5204 4.5204 5.0010 5.0010 5.0023 5.0023 6.3702 6.3702 6.4620 6.4620 6.7970 6.7970 6.8673 6.8673 7.0543 7.0543 7.1696 7.1696 7.2214 7.2214 7.6805 7.6805 7.7812 7.7812 8.2208 8.2208 12.1599 12.1599 12.1710 12.1710 12.8832 12.8832 13.4129 13.4133 k = 0.3333 0.5774 0.2054 ( 3141 PWs) bands (ev): -31.6163 -31.6163 -12.9657 -12.9657 -12.6097 -12.6097 -12.5753 -12.5753 -4.0226 -4.0226 -4.0221 -4.0221 3.4201 3.4201 3.4387 3.4387 4.0936 4.0936 4.5112 4.5112 5.0123 5.0123 5.0132 5.0132 6.3708 6.3708 6.4627 6.4627 6.7936 6.7936 6.8645 6.8645 7.0530 7.0530 7.1684 7.1684 7.2235 7.2235 7.6965 7.6965 7.7960 7.7960 8.2124 8.2124 12.1368 12.1368 12.1474 12.1474 12.9214 12.9214 13.4365 13.4366 k = 0.3333 0.5774 0.2174 ( 3147 PWs) bands (ev): -31.6163 -31.6163 -12.9657 -12.9657 -12.6097 -12.6097 -12.5753 -12.5753 -4.0225 -4.0225 -4.0220 -4.0220 3.4114 3.4114 3.4296 3.4296 4.1032 4.1032 4.5023 4.5023 5.0226 5.0226 5.0232 5.0232 6.3714 6.3714 6.4633 6.4633 6.7906 6.7906 6.8619 6.8619 7.0518 7.0518 7.1673 7.1673 7.2255 7.2255 7.7113 7.7113 7.8098 7.8098 8.2049 8.2049 12.1156 12.1156 12.1257 12.1257 12.9575 12.9575 13.4586 13.4597 k = 0.3333 0.5774 0.2295 ( 3141 PWs) bands (ev): -31.6163 -31.6163 -12.9657 -12.9657 -12.6097 -12.6097 -12.5753 -12.5753 -4.0225 -4.0225 -4.0219 -4.0219 3.4036 3.4036 3.4214 3.4214 4.1123 4.1123 4.4939 4.4939 5.0318 5.0318 5.0320 5.0320 6.3720 6.3720 6.4639 6.4639 6.7879 6.7879 6.8596 6.8596 7.0507 7.0507 7.1665 7.1665 7.2272 7.2272 7.7247 7.7247 7.8225 7.8225 8.1983 8.1983 12.0964 12.0964 12.1062 12.1062 12.9909 12.9909 13.4791 13.4797 k = 0.3333 0.5774 0.2416 ( 3135 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6096 -12.6096 -12.5753 -12.5753 -4.0224 -4.0224 -4.0219 -4.0219 3.3969 3.3969 3.4144 3.4144 4.1205 4.1205 4.4862 4.4862 5.0397 5.0397 5.0398 5.0398 6.3725 6.3725 6.4645 6.4645 6.7857 6.7857 6.8576 6.8576 7.0497 7.0497 7.1658 7.1658 7.2287 7.2287 7.7364 7.7364 7.8337 7.8337 8.1927 8.1927 12.0797 12.0797 12.0891 12.0891 13.0208 13.0208 13.4970 13.4972 k = 0.3333 0.5774 0.2537 ( 3129 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6096 -12.6096 -12.5752 -12.5752 -4.0224 -4.0224 -4.0218 -4.0218 3.3913 3.3913 3.4086 3.4086 4.1278 4.1278 4.4795 4.4795 5.0461 5.0461 5.0464 5.0464 6.3730 6.3730 6.4649 6.4649 6.7837 6.7837 6.8560 6.8560 7.0489 7.0489 7.1653 7.1653 7.2299 7.2299 7.7463 7.7463 7.8432 7.8432 8.1880 8.1880 12.0655 12.0655 12.0746 12.0746 13.0466 13.0466 13.5124 13.5126 k = 0.3333 0.5774 0.2658 ( 3126 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6096 -12.6096 -12.5752 -12.5752 -4.0224 -4.0224 -4.0218 -4.0218 3.3869 3.3869 3.4040 3.4040 4.1337 4.1337 4.4739 4.4739 5.0511 5.0511 5.0516 5.0516 6.3733 6.3733 6.4653 6.4653 6.7822 6.7822 6.8547 6.8547 7.0482 7.0482 7.1648 7.1648 7.2308 7.2308 7.7541 7.7541 7.8509 7.8509 8.1844 8.1844 12.0543 12.0543 12.0632 12.0632 13.0675 13.0675 13.5249 13.5250 k = 0.3333 0.5774 0.2778 ( 3126 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6096 -12.6096 -12.5752 -12.5752 -4.0223 -4.0223 -4.0218 -4.0218 3.3837 3.3837 3.4007 3.4007 4.1382 4.1382 4.4697 4.4697 5.0547 5.0547 5.0554 5.0554 6.3736 6.3736 6.4656 6.4656 6.7811 6.7811 6.8537 6.8537 7.0477 7.0477 7.1645 7.1645 7.2315 7.2315 7.7598 7.7598 7.8565 7.8565 8.1817 8.1817 12.0461 12.0461 12.0548 12.0548 13.0829 13.0829 13.5341 13.5343 k = 0.3333 0.5774 0.2899 ( 3126 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6096 -12.6096 -12.5752 -12.5752 -4.0223 -4.0223 -4.0218 -4.0218 3.3818 3.3818 3.3986 3.3986 4.1409 4.1409 4.4671 4.4671 5.0569 5.0569 5.0577 5.0577 6.3737 6.3737 6.4657 6.4657 6.7805 6.7805 6.8531 6.8531 7.0474 7.0474 7.1643 7.1643 7.2319 7.2319 7.7633 7.7633 7.8599 7.8599 8.1801 8.1801 12.0411 12.0411 12.0498 12.0498 13.0924 13.0924 13.5398 13.5399 k = 0.3333 0.5774 0.3020 ( 3120 PWs) bands (ev): -31.6163 -31.6163 -12.9656 -12.9656 -12.6096 -12.6096 -12.5752 -12.5752 -4.0223 -4.0223 -4.0218 -4.0218 3.3812 3.3812 3.3980 3.3980 4.1419 4.1419 4.4663 4.4663 5.0577 5.0577 5.0584 5.0584 6.3738 6.3738 6.4658 6.4658 6.7803 6.7803 6.8530 6.8530 7.0473 7.0473 7.1643 7.1643 7.2321 7.2321 7.7645 7.7645 7.8610 7.8610 8.1797 8.1797 12.0395 12.0395 12.0481 12.0481 13.0956 13.0956 13.5417 13.5417 Writing output data file CaxCuSx2.save init_run : 0.30s CPU 0.44s WALL ( 1 calls) electrons : 255.22s CPU 260.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 255.22s CPU 260.38s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.07s WALL ( 340 calls) cegterg : 243.55s CPU 247.24s WALL ( 1066 calls) Called by sum_band: Called by *egterg: h_psi : 106.67s CPU 109.45s WALL ( 19042 calls) s_psi : 10.65s CPU 10.60s WALL ( 19042 calls) g_psi : 0.35s CPU 0.30s WALL ( 17636 calls) cdiaghg : 113.24s CPU 114.40s WALL ( 17976 calls) cegterg:over : 7.99s CPU 7.94s WALL ( 17636 calls) cegterg:upda : 6.73s CPU 6.77s WALL ( 17636 calls) cegterg:last : 3.25s CPU 3.37s WALL ( 2090 calls) cdiaghg:chol : 6.02s CPU 6.08s WALL ( 17976 calls) cdiaghg:inve : 4.19s CPU 4.14s WALL ( 17976 calls) cdiaghg:para : 6.25s CPU 6.42s WALL ( 35952 calls) Called by h_psi: h_psi:vloc : 84.61s CPU 86.96s WALL ( 19042 calls) h_psi:vnl : 21.76s CPU 22.19s WALL ( 19042 calls) add_vuspsi : 11.68s CPU 11.97s WALL ( 19042 calls) General routines calbec : 10.03s CPU 10.17s WALL ( 19042 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 79.93s CPU 81.89s WALL ( 1283156 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.22s WALL ( 680 calls) Parallel routines fft_scatter : 30.64s CPU 31.56s WALL ( 1283179 calls) PWSCF : 4m30.34s CPU 5m 3.92s WALL This run was terminated on: 16:42: 4 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=