Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:41:37 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./CuCl.save/ 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 band group 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 24 19 5 978 659 105 Max 25 20 6 983 675 114 Sum 889 685 199 35303 24113 3959 bravais-lattice index = 14 lattice parameter (alat) = 7.3888 a.u. unit-cell volume = 573.6086 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.388829 celldm(2)= 1.000000 celldm(3)= 1.641944 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 1.641944 ) 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 0.609034 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /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 Cl 7.00 35.45300 Cl( 1.00) Cu 11.00 63.54600 Cu( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8209719 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8209719 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8209719 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -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 = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -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 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8209719 ) 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. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8209719 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8209719 ) 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 C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 G_8 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 G_9 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 3 4 60 deg rotation - cryst. axis [0,0,1] -2C6 -3 -4 60 deg rotation - cryst. axis [0,0,1] E 2C3 5 6 120 deg rotation - cryst. axis [0,0,1] -2C3 -5 -6 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 7 -7 9 10 -10 -9 inv. 180 deg rotation - cart. axis [0,1,0] 3s_d-3s_d 8 -8 12 -11 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 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 0.0121807), wk = 0.0029412 k( 134) = ( 0.0000000 0.0000000 0.0243614), wk = 0.0029412 k( 135) = ( 0.0000000 0.0000000 0.0365421), wk = 0.0029412 k( 136) = ( 0.0000000 0.0000000 0.0487227), wk = 0.0029412 k( 137) = ( 0.0000000 0.0000000 0.0609034), wk = 0.0029412 k( 138) = ( 0.0000000 0.0000000 0.0730841), wk = 0.0029412 k( 139) = ( 0.0000000 0.0000000 0.0852648), wk = 0.0029412 k( 140) = ( 0.0000000 0.0000000 0.0974455), wk = 0.0029412 k( 141) = ( 0.0000000 0.0000000 0.1096262), wk = 0.0029412 k( 142) = ( 0.0000000 0.0000000 0.1218069), wk = 0.0029412 k( 143) = ( 0.0000000 0.0000000 0.1339875), wk = 0.0029412 k( 144) = ( 0.0000000 0.0000000 0.1461682), wk = 0.0029412 k( 145) = ( 0.0000000 0.0000000 0.1583489), wk = 0.0029412 k( 146) = ( 0.0000000 0.0000000 0.1705296), wk = 0.0029412 k( 147) = ( 0.0000000 0.0000000 0.1827103), wk = 0.0029412 k( 148) = ( 0.0000000 0.0000000 0.1948910), wk = 0.0029412 k( 149) = ( 0.0000000 0.0000000 0.2070717), wk = 0.0029412 k( 150) = ( 0.0000000 0.0000000 0.2192523), wk = 0.0029412 k( 151) = ( 0.0000000 0.0000000 0.2314330), wk = 0.0029412 k( 152) = ( 0.0000000 0.0000000 0.2436137), wk = 0.0029412 k( 153) = ( 0.0000000 0.0000000 0.2557944), wk = 0.0029412 k( 154) = ( 0.0000000 0.0000000 0.2679751), wk = 0.0029412 k( 155) = ( 0.0000000 0.0000000 0.2801558), wk = 0.0029412 k( 156) = ( 0.0000000 0.0000000 0.2923364), wk = 0.0029412 k( 157) = ( 0.0000000 0.0000000 0.3045171), wk = 0.0029412 k( 158) = ( 0.0000000 0.0000000 0.3045171), wk = 0.0029412 k( 159) = ( 0.0106383 0.0061420 0.3045171), wk = 0.0029412 k( 160) = ( 0.0212766 0.0122841 0.3045171), wk = 0.0029412 k( 161) = ( 0.0319149 0.0184261 0.3045171), wk = 0.0029412 k( 162) = ( 0.0425532 0.0245681 0.3045171), wk = 0.0029412 k( 163) = ( 0.0531915 0.0307101 0.3045171), wk = 0.0029412 k( 164) = ( 0.0638298 0.0368521 0.3045171), wk = 0.0029412 k( 165) = ( 0.0744681 0.0429942 0.3045171), wk = 0.0029412 k( 166) = ( 0.0851064 0.0491362 0.3045171), wk = 0.0029412 k( 167) = ( 0.0957447 0.0552782 0.3045171), wk = 0.0029412 k( 168) = ( 0.1063830 0.0614202 0.3045171), wk = 0.0029412 k( 169) = ( 0.1170213 0.0675623 0.3045171), wk = 0.0029412 k( 170) = ( 0.1276596 0.0737043 0.3045171), wk = 0.0029412 k( 171) = ( 0.1382979 0.0798463 0.3045171), wk = 0.0029412 k( 172) = ( 0.1489362 0.0859883 0.3045171), wk = 0.0029412 k( 173) = ( 0.1595745 0.0921304 0.3045171), wk = 0.0029412 k( 174) = ( 0.1702128 0.0982724 0.3045171), wk = 0.0029412 k( 175) = ( 0.1808511 0.1044144 0.3045171), wk = 0.0029412 k( 176) = ( 0.1914894 0.1105564 0.3045171), wk = 0.0029412 k( 177) = ( 0.2021277 0.1166985 0.3045171), wk = 0.0029412 k( 178) = ( 0.2127660 0.1228405 0.3045171), wk = 0.0029412 k( 179) = ( 0.2234043 0.1289825 0.3045171), wk = 0.0029412 k( 180) = ( 0.2340425 0.1351245 0.3045171), wk = 0.0029412 k( 181) = ( 0.2446809 0.1412666 0.3045171), wk = 0.0029412 k( 182) = ( 0.2553191 0.1474086 0.3045171), wk = 0.0029412 k( 183) = ( 0.2659574 0.1535506 0.3045171), wk = 0.0029412 k( 184) = ( 0.2765957 0.1596926 0.3045171), wk = 0.0029412 k( 185) = ( 0.2872340 0.1658347 0.3045171), wk = 0.0029412 k( 186) = ( 0.2978723 0.1719767 0.3045171), wk = 0.0029412 k( 187) = ( 0.3085106 0.1781187 0.3045171), wk = 0.0029412 k( 188) = ( 0.3191489 0.1842607 0.3045171), wk = 0.0029412 k( 189) = ( 0.3297872 0.1904027 0.3045171), wk = 0.0029412 k( 190) = ( 0.3404255 0.1965448 0.3045171), wk = 0.0029412 k( 191) = ( 0.3510638 0.2026868 0.3045171), wk = 0.0029412 k( 192) = ( 0.3617021 0.2088288 0.3045171), wk = 0.0029412 k( 193) = ( 0.3723404 0.2149708 0.3045171), wk = 0.0029412 k( 194) = ( 0.3829787 0.2211129 0.3045171), wk = 0.0029412 k( 195) = ( 0.3936170 0.2272549 0.3045171), wk = 0.0029412 k( 196) = ( 0.4042553 0.2333969 0.3045171), wk = 0.0029412 k( 197) = ( 0.4148936 0.2395389 0.3045171), wk = 0.0029412 k( 198) = ( 0.4255319 0.2456810 0.3045171), wk = 0.0029412 k( 199) = ( 0.4361702 0.2518230 0.3045171), wk = 0.0029412 k( 200) = ( 0.4468085 0.2579650 0.3045171), wk = 0.0029412 k( 201) = ( 0.4574468 0.2641070 0.3045171), wk = 0.0029412 k( 202) = ( 0.4680851 0.2702491 0.3045171), wk = 0.0029412 k( 203) = ( 0.4787234 0.2763911 0.3045171), wk = 0.0029412 k( 204) = ( 0.4893617 0.2825331 0.3045171), wk = 0.0029412 k( 205) = ( 0.5000000 0.2886751 0.3045171), wk = 0.0029412 k( 206) = ( 0.5000000 0.2886751 0.3045171), wk = 0.0029412 k( 207) = ( 0.4938272 0.2993668 0.3045171), wk = 0.0029412 k( 208) = ( 0.4876543 0.3100585 0.3045171), wk = 0.0029412 k( 209) = ( 0.4814815 0.3207502 0.3045171), wk = 0.0029412 k( 210) = ( 0.4753086 0.3314418 0.3045171), wk = 0.0029412 k( 211) = ( 0.4691358 0.3421335 0.3045171), wk = 0.0029412 k( 212) = ( 0.4629630 0.3528252 0.3045171), wk = 0.0029412 k( 213) = ( 0.4567901 0.3635168 0.3045171), wk = 0.0029412 k( 214) = ( 0.4506173 0.3742085 0.3045171), wk = 0.0029412 k( 215) = ( 0.4444444 0.3849002 0.3045171), wk = 0.0029412 k( 216) = ( 0.4382716 0.3955918 0.3045171), wk = 0.0029412 k( 217) = ( 0.4320988 0.4062835 0.3045171), wk = 0.0029412 k( 218) = ( 0.4259259 0.4169752 0.3045171), wk = 0.0029412 k( 219) = ( 0.4197531 0.4276669 0.3045171), wk = 0.0029412 k( 220) = ( 0.4135802 0.4383585 0.3045171), wk = 0.0029412 k( 221) = ( 0.4074074 0.4490502 0.3045171), wk = 0.0029412 k( 222) = ( 0.4012346 0.4597419 0.3045171), wk = 0.0029412 k( 223) = ( 0.3950617 0.4704335 0.3045171), wk = 0.0029412 k( 224) = ( 0.3888889 0.4811252 0.3045171), wk = 0.0029412 k( 225) = ( 0.3827160 0.4918169 0.3045171), wk = 0.0029412 k( 226) = ( 0.3765432 0.5025086 0.3045171), wk = 0.0029412 k( 227) = ( 0.3703704 0.5132002 0.3045171), wk = 0.0029412 k( 228) = ( 0.3641975 0.5238919 0.3045171), wk = 0.0029412 k( 229) = ( 0.3580247 0.5345836 0.3045171), wk = 0.0029412 k( 230) = ( 0.3518519 0.5452753 0.3045171), wk = 0.0029412 k( 231) = ( 0.3456790 0.5559669 0.3045171), wk = 0.0029412 k( 232) = ( 0.3395062 0.5666586 0.3045171), wk = 0.0029412 k( 233) = ( 0.3333333 0.5773503 0.3045171), wk = 0.0029412 k( 234) = ( 0.3333333 0.5773503 0.3045171), wk = 0.0029412 k( 235) = ( 0.3271605 0.5666586 0.3045171), wk = 0.0029412 k( 236) = ( 0.3209877 0.5559669 0.3045171), wk = 0.0029412 k( 237) = ( 0.3148148 0.5452752 0.3045171), wk = 0.0029412 k( 238) = ( 0.3086420 0.5345836 0.3045171), wk = 0.0029412 k( 239) = ( 0.3024691 0.5238919 0.3045171), wk = 0.0029412 k( 240) = ( 0.2962963 0.5132002 0.3045171), wk = 0.0029412 k( 241) = ( 0.2901235 0.5025086 0.3045171), wk = 0.0029412 k( 242) = ( 0.2839506 0.4918169 0.3045171), wk = 0.0029412 k( 243) = ( 0.2777778 0.4811252 0.3045171), wk = 0.0029412 k( 244) = ( 0.2716049 0.4704336 0.3045171), wk = 0.0029412 k( 245) = ( 0.2654321 0.4597419 0.3045171), wk = 0.0029412 k( 246) = ( 0.2592593 0.4490502 0.3045171), wk = 0.0029412 k( 247) = ( 0.2530864 0.4383585 0.3045171), wk = 0.0029412 k( 248) = ( 0.2469136 0.4276669 0.3045171), wk = 0.0029412 k( 249) = ( 0.2407407 0.4169752 0.3045171), wk = 0.0029412 k( 250) = ( 0.2345679 0.4062835 0.3045171), wk = 0.0029412 k( 251) = ( 0.2283951 0.3955918 0.3045171), wk = 0.0029412 k( 252) = ( 0.2222222 0.3849002 0.3045171), wk = 0.0029412 k( 253) = ( 0.2160494 0.3742085 0.3045171), wk = 0.0029412 k( 254) = ( 0.2098765 0.3635168 0.3045171), wk = 0.0029412 k( 255) = ( 0.2037037 0.3528252 0.3045171), wk = 0.0029412 k( 256) = ( 0.1975309 0.3421335 0.3045171), wk = 0.0029412 k( 257) = ( 0.1913580 0.3314418 0.3045171), wk = 0.0029412 k( 258) = ( 0.1851852 0.3207502 0.3045171), wk = 0.0029412 k( 259) = ( 0.1790123 0.3100585 0.3045171), wk = 0.0029412 k( 260) = ( 0.1728395 0.2993668 0.3045171), wk = 0.0029412 k( 261) = ( 0.1666667 0.2886751 0.3045171), wk = 0.0029412 k( 262) = ( 0.1604938 0.2779835 0.3045171), wk = 0.0029412 k( 263) = ( 0.1543210 0.2672918 0.3045171), wk = 0.0029412 k( 264) = ( 0.1481482 0.2566001 0.3045171), wk = 0.0029412 k( 265) = ( 0.1419753 0.2459085 0.3045171), wk = 0.0029412 k( 266) = ( 0.1358025 0.2352168 0.3045171), wk = 0.0029412 k( 267) = ( 0.1296296 0.2245251 0.3045171), wk = 0.0029412 k( 268) = ( 0.1234568 0.2138334 0.3045171), wk = 0.0029412 k( 269) = ( 0.1172839 0.2031418 0.3045171), wk = 0.0029412 k( 270) = ( 0.1111111 0.1924501 0.3045171), wk = 0.0029412 k( 271) = ( 0.1049383 0.1817584 0.3045171), wk = 0.0029412 k( 272) = ( 0.0987654 0.1710667 0.3045171), wk = 0.0029412 k( 273) = ( 0.0925926 0.1603751 0.3045171), wk = 0.0029412 k( 274) = ( 0.0864198 0.1496834 0.3045171), wk = 0.0029412 k( 275) = ( 0.0802469 0.1389917 0.3045171), wk = 0.0029412 k( 276) = ( 0.0740741 0.1283001 0.3045171), wk = 0.0029412 k( 277) = ( 0.0679012 0.1176084 0.3045171), wk = 0.0029412 k( 278) = ( 0.0617284 0.1069167 0.3045171), wk = 0.0029412 k( 279) = ( 0.0555556 0.0962251 0.3045171), wk = 0.0029412 k( 280) = ( 0.0493827 0.0855334 0.3045171), wk = 0.0029412 k( 281) = ( 0.0432099 0.0748417 0.3045171), wk = 0.0029412 k( 282) = ( 0.0370370 0.0641500 0.3045171), wk = 0.0029412 k( 283) = ( 0.0308642 0.0534584 0.3045171), wk = 0.0029412 k( 284) = ( 0.0246914 0.0427667 0.3045171), wk = 0.0029412 k( 285) = ( 0.0185185 0.0320750 0.3045171), wk = 0.0029412 k( 286) = ( 0.0123457 0.0213833 0.3045171), wk = 0.0029412 k( 287) = ( 0.0061728 0.0106917 0.3045171), wk = 0.0029412 k( 288) = ( 0.0000000 0.0000000 0.3045171), wk = 0.0029412 k( 289) = ( 0.5000000 0.2886751 0.3045171), wk = 0.0029412 k( 290) = ( 0.5000000 0.2886751 0.2923364), wk = 0.0029412 k( 291) = ( 0.5000000 0.2886751 0.2801558), wk = 0.0029412 k( 292) = ( 0.5000000 0.2886751 0.2679751), wk = 0.0029412 k( 293) = ( 0.5000000 0.2886751 0.2557944), wk = 0.0029412 k( 294) = ( 0.5000000 0.2886751 0.2436137), wk = 0.0029412 k( 295) = ( 0.5000000 0.2886751 0.2314330), wk = 0.0029412 k( 296) = ( 0.5000000 0.2886751 0.2192523), wk = 0.0029412 k( 297) = ( 0.5000000 0.2886751 0.2070717), wk = 0.0029412 k( 298) = ( 0.5000000 0.2886751 0.1948910), wk = 0.0029412 k( 299) = ( 0.5000000 0.2886751 0.1827103), wk = 0.0029412 k( 300) = ( 0.5000000 0.2886751 0.1705296), wk = 0.0029412 k( 301) = ( 0.5000000 0.2886751 0.1583489), wk = 0.0029412 k( 302) = ( 0.5000000 0.2886751 0.1461682), wk = 0.0029412 k( 303) = ( 0.5000000 0.2886751 0.1339875), wk = 0.0029412 k( 304) = ( 0.5000000 0.2886751 0.1218069), wk = 0.0029412 k( 305) = ( 0.5000000 0.2886751 0.1096262), wk = 0.0029412 k( 306) = ( 0.5000000 0.2886751 0.0974455), wk = 0.0029412 k( 307) = ( 0.5000000 0.2886751 0.0852648), wk = 0.0029412 k( 308) = ( 0.5000000 0.2886751 0.0730841), wk = 0.0029412 k( 309) = ( 0.5000000 0.2886751 0.0609034), wk = 0.0029412 k( 310) = ( 0.5000000 0.2886751 0.0487227), wk = 0.0029412 k( 311) = ( 0.5000000 0.2886751 0.0365421), wk = 0.0029412 k( 312) = ( 0.5000000 0.2886751 0.0243614), wk = 0.0029412 k( 313) = ( 0.5000000 0.2886751 0.0121807), 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 0.0121807), wk = 0.0029412 k( 317) = ( 0.3333333 0.5773503 0.0243614), wk = 0.0029412 k( 318) = ( 0.3333333 0.5773503 0.0365421), wk = 0.0029412 k( 319) = ( 0.3333333 0.5773503 0.0487227), wk = 0.0029412 k( 320) = ( 0.3333333 0.5773503 0.0609034), wk = 0.0029412 k( 321) = ( 0.3333333 0.5773503 0.0730841), wk = 0.0029412 k( 322) = ( 0.3333333 0.5773503 0.0852648), wk = 0.0029412 k( 323) = ( 0.3333333 0.5773503 0.0974455), wk = 0.0029412 k( 324) = ( 0.3333333 0.5773503 0.1096262), wk = 0.0029412 k( 325) = ( 0.3333333 0.5773503 0.1218069), wk = 0.0029412 k( 326) = ( 0.3333333 0.5773503 0.1339875), wk = 0.0029412 k( 327) = ( 0.3333333 0.5773503 0.1461682), wk = 0.0029412 k( 328) = ( 0.3333333 0.5773503 0.1583489), wk = 0.0029412 k( 329) = ( 0.3333333 0.5773503 0.1705296), wk = 0.0029412 k( 330) = ( 0.3333333 0.5773503 0.1827103), wk = 0.0029412 k( 331) = ( 0.3333333 0.5773503 0.1948910), wk = 0.0029412 k( 332) = ( 0.3333333 0.5773503 0.2070717), wk = 0.0029412 k( 333) = ( 0.3333333 0.5773503 0.2192523), wk = 0.0029412 k( 334) = ( 0.3333333 0.5773503 0.2314330), wk = 0.0029412 k( 335) = ( 0.3333333 0.5773503 0.2436137), wk = 0.0029412 k( 336) = ( 0.3333333 0.5773503 0.2557944), wk = 0.0029412 k( 337) = ( 0.3333333 0.5773503 0.2679751), wk = 0.0029412 k( 338) = ( 0.3333333 0.5773503 0.2801558), wk = 0.0029412 k( 339) = ( 0.3333333 0.5773503 0.2923364), wk = 0.0029412 k( 340) = ( 0.3333333 0.5773503 0.3045171), 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: 35303 G-vectors FFT dimensions: ( 40, 40, 60) Smooth grid: 24113 G-vectors FFT dimensions: ( 32, 32, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 180, 44) NL pseudopotentials 0.19 Mb ( 90, 136) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 980) G-vector shells 0.00 Mb ( 469) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.48 Mb ( 180, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./CuCl.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.2 secs Computing kpt #: 6 total cpu time spent up to now is 4.5 secs Computing kpt #: 7 total cpu time spent up to now is 4.9 secs Computing kpt #: 8 total cpu time spent up to now is 5.3 secs Computing kpt #: 9 total cpu time spent up to now is 5.7 secs Computing kpt #: 10 total cpu time spent up to now is 6.1 secs Computing kpt #: 11 total cpu time spent up to now is 6.5 secs Computing kpt #: 12 total cpu time spent up to now is 6.9 secs Computing kpt #: 13 total cpu time spent up to now is 7.3 secs Computing kpt #: 14 total cpu time spent up to now is 7.7 secs Computing kpt #: 15 total cpu time spent up to now is 8.1 secs Computing kpt #: 16 total cpu time spent up to now is 8.5 secs Computing kpt #: 17 total cpu time spent up to now is 8.9 secs Computing kpt #: 18 total cpu time spent up to now is 9.3 secs Computing kpt #: 19 total cpu time spent up to now is 9.7 secs Computing kpt #: 20 total cpu time spent up to now is 10.1 secs Computing kpt #: 21 total cpu time spent up to now is 10.5 secs Computing kpt #: 22 total cpu time spent up to now is 10.9 secs Computing kpt #: 23 total cpu time spent up to now is 11.3 secs Computing kpt #: 24 total cpu time spent up to now is 11.7 secs Computing kpt #: 25 total cpu time spent up to now is 12.1 secs Computing kpt #: 26 total cpu time spent up to now is 12.5 secs Computing kpt #: 27 total cpu time spent up to now is 12.9 secs Computing kpt #: 28 total cpu time spent up to now is 13.3 secs Computing kpt #: 29 total cpu time spent up to now is 13.7 secs Computing kpt #: 30 total cpu time spent up to now is 14.0 secs Computing kpt #: 31 total cpu time spent up to now is 14.3 secs Computing kpt #: 32 total cpu time spent up to now is 14.7 secs Computing kpt #: 33 total cpu time spent up to now is 15.0 secs Computing kpt #: 34 total cpu time spent up to now is 15.4 secs Computing kpt #: 35 total cpu time spent up to now is 15.7 secs Computing kpt #: 36 total cpu time spent up to now is 16.1 secs Computing kpt #: 37 total cpu time spent up to now is 16.4 secs Computing kpt #: 38 total cpu time spent up to now is 16.7 secs Computing kpt #: 39 total cpu time spent up to now is 17.1 secs Computing kpt #: 40 total cpu time spent up to now is 17.4 secs Computing kpt #: 41 total cpu time spent up to now is 17.7 secs Computing kpt #: 42 total cpu time spent up to now is 18.0 secs Computing kpt #: 43 total cpu time spent up to now is 18.4 secs Computing kpt #: 44 total cpu time spent up to now is 18.7 secs Computing kpt #: 45 total cpu time spent up to now is 19.0 secs Computing kpt #: 46 total cpu time spent up to now is 19.5 secs Computing kpt #: 47 total cpu time spent up to now is 19.8 secs Computing kpt #: 48 total cpu time spent up to now is 20.1 secs Computing kpt #: 49 total cpu time spent up to now is 20.4 secs Computing kpt #: 50 total cpu time spent up to now is 20.8 secs Computing kpt #: 51 total cpu time spent up to now is 21.1 secs Computing kpt #: 52 total cpu time spent up to now is 21.4 secs Computing kpt #: 53 total cpu time spent up to now is 21.7 secs Computing kpt #: 54 total cpu time spent up to now is 22.0 secs Computing kpt #: 55 total cpu time spent up to now is 22.3 secs Computing kpt #: 56 total cpu time spent up to now is 22.7 secs Computing kpt #: 57 total cpu time spent up to now is 23.0 secs Computing kpt #: 58 total cpu time spent up to now is 23.3 secs Computing kpt #: 59 total cpu time spent up to now is 23.6 secs Computing kpt #: 60 total cpu time spent up to now is 24.0 secs Computing kpt #: 61 total cpu time spent up to now is 24.3 secs Computing kpt #: 62 total cpu time spent up to now is 24.7 secs Computing kpt #: 63 total cpu time spent up to now is 25.0 secs Computing kpt #: 64 total cpu time spent up to now is 25.3 secs Computing kpt #: 65 total cpu time spent up to now is 25.7 secs Computing kpt #: 66 total cpu time spent up to now is 26.0 secs Computing kpt #: 67 total cpu time spent up to now is 26.3 secs Computing kpt #: 68 total cpu time spent up to now is 26.7 secs Computing kpt #: 69 total cpu time spent up to now is 27.0 secs Computing kpt #: 70 total cpu time spent up to now is 27.3 secs Computing kpt #: 71 total cpu time spent up to now is 27.7 secs Computing kpt #: 72 total cpu time spent up to now is 28.0 secs Computing kpt #: 73 total cpu time spent up to now is 28.3 secs Computing kpt #: 74 total cpu time spent up to now is 28.7 secs Computing kpt #: 75 total cpu time spent up to now is 29.0 secs Computing kpt #: 76 total cpu time spent up to now is 29.3 secs Computing kpt #: 77 total cpu time spent up to now is 29.7 secs Computing kpt #: 78 total cpu time spent up to now is 30.0 secs Computing kpt #: 79 total cpu time spent up to now is 30.3 secs Computing kpt #: 80 total cpu time spent up to now is 30.7 secs Computing kpt #: 81 total cpu time spent up to now is 31.0 secs Computing kpt #: 82 total cpu time spent up to now is 31.3 secs Computing kpt #: 83 total cpu time spent up to now is 31.7 secs Computing kpt #: 84 total cpu time spent up to now is 32.0 secs Computing kpt #: 85 total cpu time spent up to now is 32.3 secs Computing kpt #: 86 total cpu time spent up to now is 32.7 secs Computing kpt #: 87 total cpu time spent up to now is 33.0 secs Computing kpt #: 88 total cpu time spent up to now is 33.3 secs Computing kpt #: 89 total cpu time spent up to now is 33.6 secs Computing kpt #: 90 total cpu time spent up to now is 34.0 secs Computing kpt #: 91 total cpu time spent up to now is 34.3 secs Computing kpt #: 92 total cpu time spent up to now is 34.6 secs Computing kpt #: 93 total cpu time spent up to now is 34.9 secs Computing kpt #: 94 total cpu time spent up to now is 35.3 secs Computing kpt #: 95 total cpu time spent up to now is 35.6 secs Computing kpt #: 96 total cpu time spent up to now is 35.9 secs Computing kpt #: 97 total cpu time spent up to now is 36.3 secs Computing kpt #: 98 total cpu time spent up to now is 36.6 secs Computing kpt #: 99 total cpu time spent up to now is 36.9 secs Computing kpt #: 100 total cpu time spent up to now is 37.3 secs Computing kpt #: 101 total cpu time spent up to now is 37.6 secs Computing kpt #: 102 total cpu time spent up to now is 37.9 secs Computing kpt #: 103 total cpu time spent up to now is 38.3 secs Computing kpt #: 104 total cpu time spent up to now is 38.6 secs Computing kpt #: 105 total cpu time spent up to now is 38.9 secs Computing kpt #: 106 total cpu time spent up to now is 39.3 secs Computing kpt #: 107 total cpu time spent up to now is 39.6 secs Computing kpt #: 108 total cpu time spent up to now is 40.0 secs Computing kpt #: 109 total cpu time spent up to now is 40.3 secs Computing kpt #: 110 total cpu time spent up to now is 40.7 secs Computing kpt #: 111 total cpu time spent up to now is 41.0 secs Computing kpt #: 112 total cpu time spent up to now is 41.4 secs Computing kpt #: 113 total cpu time spent up to now is 41.7 secs Computing kpt #: 114 total cpu time spent up to now is 42.1 secs Computing kpt #: 115 total cpu time spent up to now is 42.5 secs Computing kpt #: 116 total cpu time spent up to now is 42.9 secs Computing kpt #: 117 total cpu time spent up to now is 43.2 secs Computing kpt #: 118 total cpu time spent up to now is 43.6 secs Computing kpt #: 119 total cpu time spent up to now is 44.0 secs Computing kpt #: 120 total cpu time spent up to now is 44.3 secs Computing kpt #: 121 total cpu time spent up to now is 44.7 secs Computing kpt #: 122 total cpu time spent up to now is 45.1 secs Computing kpt #: 123 total cpu time spent up to now is 45.5 secs Computing kpt #: 124 total cpu time spent up to now is 45.9 secs Computing kpt #: 125 total cpu time spent up to now is 46.3 secs Computing kpt #: 126 total cpu time spent up to now is 46.7 secs Computing kpt #: 127 total cpu time spent up to now is 47.1 secs Computing kpt #: 128 total cpu time spent up to now is 47.6 secs Computing kpt #: 129 total cpu time spent up to now is 48.0 secs Computing kpt #: 130 total cpu time spent up to now is 48.4 secs Computing kpt #: 131 total cpu time spent up to now is 49.0 secs Computing kpt #: 132 total cpu time spent up to now is 49.4 secs Computing kpt #: 133 total cpu time spent up to now is 49.9 secs Computing kpt #: 134 total cpu time spent up to now is 50.7 secs Computing kpt #: 135 total cpu time spent up to now is 51.2 secs Computing kpt #: 136 total cpu time spent up to now is 51.7 secs Computing kpt #: 137 total cpu time spent up to now is 52.2 secs Computing kpt #: 138 total cpu time spent up to now is 52.6 secs Computing kpt #: 139 total cpu time spent up to now is 53.0 secs Computing kpt #: 140 total cpu time spent up to now is 53.4 secs Computing kpt #: 141 total cpu time spent up to now is 53.8 secs Computing kpt #: 142 total cpu time spent up to now is 54.2 secs Computing kpt #: 143 total cpu time spent up to now is 54.5 secs Computing kpt #: 144 total cpu time spent up to now is 54.8 secs Computing kpt #: 145 total cpu time spent up to now is 55.2 secs Computing kpt #: 146 total cpu time spent up to now is 55.5 secs Computing kpt #: 147 total cpu time spent up to now is 55.8 secs Computing kpt #: 148 total cpu time spent up to now is 56.1 secs Computing kpt #: 149 total cpu time spent up to now is 56.4 secs Computing kpt #: 150 total cpu time spent up to now is 56.7 secs Computing kpt #: 151 total cpu time spent up to now is 57.0 secs Computing kpt #: 152 total cpu time spent up to now is 57.3 secs Computing kpt #: 153 total cpu time spent up to now is 57.6 secs Computing kpt #: 154 total cpu time spent up to now is 57.9 secs Computing kpt #: 155 total cpu time spent up to now is 58.2 secs Computing kpt #: 156 total cpu time spent up to now is 58.5 secs Computing kpt #: 157 total cpu time spent up to now is 58.8 secs Computing kpt #: 158 total cpu time spent up to now is 59.1 secs Computing kpt #: 159 total cpu time spent up to now is 59.4 secs Computing kpt #: 160 total cpu time spent up to now is 59.7 secs Computing kpt #: 161 total cpu time spent up to now is 60.0 secs Computing kpt #: 162 total cpu time spent up to now is 60.3 secs Computing kpt #: 163 total cpu time spent up to now is 60.6 secs Computing kpt #: 164 total cpu time spent up to now is 60.9 secs Computing kpt #: 165 total cpu time spent up to now is 61.3 secs Computing kpt #: 166 total cpu time spent up to now is 61.6 secs Computing kpt #: 167 total cpu time spent up to now is 61.9 secs Computing kpt #: 168 total cpu time spent up to now is 62.2 secs Computing kpt #: 169 total cpu time spent up 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Computing kpt #: 185 total cpu time spent up to now is 67.6 secs Computing kpt #: 186 total cpu time spent up to now is 67.9 secs Computing kpt #: 187 total cpu time spent up to now is 68.3 secs Computing kpt #: 188 total cpu time spent up to now is 68.6 secs Computing kpt #: 189 total cpu time spent up to now is 68.9 secs Computing kpt #: 190 total cpu time spent up to now is 69.2 secs Computing kpt #: 191 total cpu time spent up to now is 69.5 secs Computing kpt #: 192 total cpu time spent up to now is 69.9 secs Computing kpt #: 193 total cpu time spent up to now is 70.2 secs Computing kpt #: 194 total cpu time spent up to now is 70.5 secs Computing kpt #: 195 total cpu time spent up to now is 70.8 secs Computing kpt #: 196 total cpu time spent up to now is 71.1 secs Computing kpt #: 197 total cpu time spent up to now is 71.5 secs Computing kpt #: 198 total cpu time spent up to now is 71.8 secs Computing kpt #: 199 total cpu time spent up to now is 72.1 secs Computing kpt #: 200 total cpu time spent up to now is 72.5 secs Computing kpt #: 201 total cpu time spent up to now is 72.7 secs Computing kpt #: 202 total cpu time spent up to now is 73.1 secs Computing kpt #: 203 total cpu time spent up to now is 73.4 secs Computing kpt #: 204 total cpu time spent up to now is 73.7 secs Computing kpt #: 205 total cpu time spent up to now is 74.1 secs Computing kpt #: 206 total cpu time spent up to now is 74.3 secs Computing kpt #: 207 total cpu time spent up to now is 74.7 secs Computing kpt #: 208 total cpu time spent up to now is 75.0 secs Computing kpt #: 209 total cpu time spent up to now is 75.3 secs Computing kpt #: 210 total cpu time spent up to now is 75.7 secs Computing kpt #: 211 total cpu time spent up to now is 76.0 secs Computing kpt #: 212 total cpu time spent up to now is 76.3 secs Computing kpt #: 213 total cpu time spent up to now is 76.7 secs Computing kpt #: 214 total cpu time spent up to now is 77.0 secs Computing kpt #: 215 total cpu time spent up to now is 77.4 secs Computing kpt #: 216 total cpu time spent up to now is 77.7 secs Computing kpt #: 217 total cpu time spent up to now is 78.1 secs Computing kpt #: 218 total cpu time spent up to now is 78.4 secs Computing kpt #: 219 total cpu time spent up to now is 78.7 secs Computing kpt #: 220 total cpu time spent up to now is 79.1 secs Computing kpt #: 221 total cpu time spent up to now is 79.5 secs Computing kpt #: 222 total cpu time spent up to now is 79.8 secs Computing kpt #: 223 total cpu time spent up to now is 80.2 secs Computing kpt #: 224 total cpu time spent up to now is 80.5 secs Computing kpt #: 225 total cpu time spent up to now is 80.9 secs Computing kpt #: 226 total cpu time spent up to now is 81.3 secs Computing kpt #: 227 total cpu time spent up to now is 81.7 secs Computing kpt #: 228 total cpu time spent up to now is 82.1 secs Computing kpt #: 229 total cpu time spent up to now is 82.5 secs Computing kpt #: 230 total cpu time spent up to now is 82.9 secs Computing kpt #: 231 total cpu time spent up to now is 83.3 secs Computing kpt #: 232 total cpu time spent up to now is 83.7 secs Computing kpt #: 233 total cpu time spent up to now is 84.1 secs Computing kpt #: 234 total cpu time spent up to now is 84.5 secs Computing kpt #: 235 total cpu time spent up to now is 84.9 secs Computing kpt #: 236 total cpu time spent up to now is 85.3 secs Computing kpt #: 237 total cpu time spent up to now is 85.7 secs Computing kpt #: 238 total cpu time spent up to now is 86.1 secs Computing kpt #: 239 total cpu time spent up to now is 86.5 secs Computing kpt #: 240 total cpu time spent up to now is 86.9 secs Computing kpt #: 241 total cpu time spent up to now is 87.3 secs Computing kpt #: 242 total cpu time spent up to now is 87.7 secs Computing kpt #: 243 total cpu time spent up to now is 88.0 secs Computing kpt #: 244 total cpu time spent up to now is 88.3 secs Computing kpt #: 245 total cpu time spent up to now is 88.7 secs Computing kpt #: 246 total cpu time spent up to now is 89.1 secs Computing kpt #: 247 total cpu time spent up to now is 89.4 secs Computing kpt #: 248 total cpu time spent up to now is 89.8 secs Computing kpt #: 249 total cpu time spent up to now is 90.1 secs Computing kpt #: 250 total cpu time spent up to now is 90.5 secs Computing kpt #: 251 total cpu time spent up to now is 90.8 secs Computing kpt #: 252 total cpu time spent up to now is 91.2 secs Computing kpt #: 253 total cpu time spent up to now is 91.5 secs Computing kpt #: 254 total cpu time spent up to now is 91.8 secs Computing kpt #: 255 total cpu time spent up to now is 92.1 secs Computing kpt #: 256 total cpu time spent up to now is 92.5 secs Computing kpt #: 257 total cpu time spent up to now is 92.8 secs Computing kpt #: 258 total cpu time spent up to now is 93.1 secs Computing kpt #: 259 total cpu time spent up to now is 93.5 secs Computing kpt #: 260 total cpu time spent up to now is 93.8 secs Computing kpt #: 261 total cpu time spent up to now is 94.1 secs Computing kpt #: 262 total cpu time spent up to now is 94.4 secs Computing kpt #: 263 total cpu time spent up to now is 94.7 secs Computing kpt #: 264 total cpu time spent up to now is 95.1 secs Computing kpt #: 265 total cpu time spent up to now is 95.4 secs Computing kpt #: 266 total cpu time spent up to now is 95.7 secs Computing kpt #: 267 total cpu time spent up to now is 96.1 secs Computing kpt #: 268 total cpu time spent up to now is 96.3 secs Computing kpt #: 269 total cpu time spent up to now is 96.7 secs Computing kpt #: 270 total cpu time spent up to now is 97.0 secs Computing kpt #: 271 total cpu time spent up to now is 97.3 secs Computing kpt #: 272 total cpu time spent up to now is 97.7 secs Computing kpt #: 273 total cpu time spent up to now is 98.0 secs Computing kpt #: 274 total cpu time spent up to now is 98.3 secs Computing kpt #: 275 total cpu time spent up to now is 98.6 secs Computing kpt #: 276 total cpu time spent up to now is 98.9 secs Computing kpt #: 277 total cpu time spent up to now is 99.3 secs Computing kpt #: 278 total cpu time spent up to now is 99.6 secs Computing kpt #: 279 total cpu time spent up to now is 99.9 secs Computing kpt #: 280 total cpu time spent up to now is 100.2 secs Computing kpt #: 281 total cpu time spent up to now is 100.5 secs Computing kpt #: 282 total cpu time spent up to now is 100.9 secs Computing kpt #: 283 total cpu time spent up to now is 101.2 secs Computing kpt #: 284 total cpu time spent up to now is 101.5 secs Computing kpt #: 285 total cpu time spent up to now is 101.8 secs Computing kpt #: 286 total cpu time spent up to now is 102.1 secs Computing kpt #: 287 total cpu time spent up to now is 102.4 secs Computing kpt #: 288 total cpu time spent up to now is 102.7 secs Computing kpt #: 289 total cpu time spent up to now is 103.0 secs Computing kpt #: 290 total cpu time spent up to now is 103.3 secs Computing kpt #: 291 total cpu time spent up to now is 103.7 secs Computing kpt #: 292 total cpu time spent up to now is 104.0 secs Computing kpt #: 293 total cpu time spent up to now is 104.3 secs Computing kpt #: 294 total cpu time spent up to now is 104.7 secs Computing kpt #: 295 total cpu time spent up to now is 105.0 secs Computing kpt #: 296 total cpu time spent up to now is 105.3 secs Computing kpt #: 297 total cpu time spent up to now is 105.6 secs Computing kpt #: 298 total cpu time spent up to now is 105.9 secs Computing kpt #: 299 total cpu time spent up to now is 106.3 secs Computing kpt #: 300 total cpu time spent up to now is 106.5 secs Computing kpt #: 301 total cpu time spent up to now is 106.9 secs Computing kpt #: 302 total cpu time spent up to now is 107.2 secs Computing kpt #: 303 total cpu time spent up to now is 107.5 secs Computing kpt #: 304 total cpu time spent up to now is 107.8 secs Computing kpt #: 305 total cpu time spent up to now is 108.1 secs Computing kpt #: 306 total cpu time spent up to now is 108.5 secs Computing kpt #: 307 total cpu time spent up to now is 108.8 secs Computing kpt #: 308 total cpu time spent up to now is 109.1 secs Computing kpt #: 309 total cpu time spent up to now is 109.4 secs Computing kpt #: 310 total cpu time spent up to now is 109.7 secs Computing kpt #: 311 total cpu time spent up to now is 110.1 secs Computing kpt #: 312 total cpu time spent up to now is 110.4 secs Computing kpt #: 313 total cpu time spent up to now is 110.7 secs Computing kpt #: 314 total cpu time spent up to now is 111.0 secs Computing kpt #: 315 total cpu time spent up to now is 111.3 secs Computing kpt #: 316 total cpu time spent up to now is 111.7 secs Computing kpt #: 317 total cpu time spent up to now is 112.0 secs Computing kpt #: 318 total cpu time spent up to now is 112.5 secs Computing kpt #: 319 total cpu time spent up to now is 112.8 secs Computing kpt #: 320 total cpu time spent up to now is 113.2 secs Computing kpt #: 321 total cpu time spent up to now is 113.5 secs Computing kpt #: 322 total cpu time spent up to now is 113.9 secs Computing kpt #: 323 total cpu time spent up to now is 114.3 secs Computing kpt #: 324 total cpu time spent up to now is 114.7 secs Computing kpt #: 325 total cpu time spent up to now is 115.0 secs Computing kpt #: 326 total cpu time spent up to now is 115.4 secs Computing kpt #: 327 total cpu time spent up to now is 115.9 secs Computing kpt #: 328 total cpu time spent up to now is 116.3 secs Computing kpt #: 329 total cpu time spent up to now is 116.6 secs Computing kpt #: 330 total cpu time spent up to now is 117.0 secs Computing kpt #: 331 total cpu time spent up to now is 117.5 secs Computing kpt #: 332 total cpu time spent up to now is 117.8 secs Computing kpt #: 333 total cpu time spent up to now is 118.2 secs Computing kpt #: 334 total cpu time spent up to now is 118.6 secs Computing kpt #: 335 total cpu time spent up to now is 119.0 secs Computing kpt #: 336 total cpu time spent up to now is 119.4 secs Computing kpt #: 337 total cpu time spent up to now is 119.8 secs Computing kpt #: 338 total cpu time spent up to now is 120.2 secs Computing kpt #: 339 total cpu time spent up to now is 120.6 secs Computing kpt #: 340 total cpu time spent up to now is 121.0 secs ethr = 2.78E-08, avg # of iterations = 17.8 total cpu time spent up to now is 121.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3009 PWs) bands (ev): -11.3406 -11.3406 -10.9779 -10.9779 -0.7912 -0.7912 0.5893 0.5893 0.6349 0.6349 0.6387 0.6387 0.6911 0.6911 0.8612 0.8612 4.0043 4.0043 4.0114 4.0114 4.0669 4.0669 4.2423 4.2423 4.3504 4.3504 4.9280 4.9280 5.0807 5.0807 5.2031 5.2031 5.3931 5.3931 5.4695 5.4695 5.8387 5.8387 7.9123 7.9123 11.8860 11.8860 11.9378 11.9378 k = 0.0106 0.0061-0.0000 ( 3009 PWs) bands (ev): -11.3403 -11.3403 -10.9777 -10.9776 -0.7909 -0.7901 0.5880 0.5887 0.6323 0.6323 0.6393 0.6398 0.6902 0.6903 0.8606 0.8617 4.0018 4.0065 4.0109 4.0109 4.0642 4.0703 4.2422 4.2422 4.3471 4.3536 4.9269 4.9269 5.0793 5.0799 5.1989 5.2065 5.3904 5.3906 5.4650 5.4691 5.8451 5.8465 7.9160 7.9162 11.8845 11.8851 11.9307 11.9412 k = 0.0213 0.0123-0.0000 ( 3003 PWs) bands (ev): -11.3392 -11.3392 -10.9772 -10.9770 -0.7893 -0.7876 0.5849 0.5863 0.6269 0.6270 0.6389 0.6404 0.6877 0.6881 0.8601 0.8622 3.9990 4.0073 4.0095 4.0103 4.0622 4.0743 4.2421 4.2421 4.3437 4.3565 4.9235 4.9236 5.0756 5.0768 5.1938 5.2090 5.3817 5.3836 5.4575 5.4641 5.8650 5.8673 7.9273 7.9277 11.8804 11.8815 11.9189 11.9400 k = 0.0319 0.0184-0.0000 ( 3005 PWs) bands (ev): -11.3375 -11.3375 -10.9764 -10.9760 -0.7863 -0.7838 0.5795 0.5817 0.6196 0.6199 0.6364 0.6392 0.6841 0.6852 0.8596 0.8627 3.9959 4.0046 4.0072 4.0114 4.0610 4.0785 4.2417 4.2419 4.3401 4.3593 4.9179 4.9180 5.0697 5.0714 5.1879 5.2108 5.3666 5.3722 5.4496 5.4559 5.8964 5.8991 7.9459 7.9467 11.8703 11.8731 11.9028 11.9314 k = 0.0426 0.0246-0.0000 ( 2997 PWs) bands (ev): -11.3351 -11.3350 -10.9751 -10.9747 -0.7819 -0.7786 0.5711 0.5742 0.6109 0.6112 0.6316 0.6360 0.6804 0.6826 0.8592 0.8632 3.9926 4.0000 4.0044 4.0130 4.0606 4.0829 4.2413 4.2417 4.3364 4.3620 4.9100 4.9104 5.0619 5.0639 5.1812 5.2119 5.3460 5.3570 5.4424 5.4464 5.9371 5.9396 7.9718 7.9728 11.8464 11.8550 11.8898 11.9169 k = 0.0532 0.0307-0.0000 ( 2997 PWs) bands (ev): -11.3320 -11.3319 -10.9735 -10.9730 -0.7762 -0.7720 0.5592 0.5631 0.6006 0.6006 0.6250 0.6306 0.6774 0.6808 0.8589 0.8636 3.9890 3.9943 4.0011 4.0144 4.0607 4.0874 4.2406 4.2414 4.3325 4.3645 4.8999 4.9006 5.0523 5.0543 5.1737 5.2122 5.3215 5.3387 5.4357 5.4366 5.9851 5.9872 8.0044 8.0058 11.8077 11.8217 11.8817 11.9041 k = 0.0638 0.0369-0.0000 ( 2993 PWs) bands (ev): -11.3282 -11.3281 -10.9716 -10.9709 -0.7692 -0.7641 0.5432 0.5479 0.5873 0.5881 0.6179 0.6237 0.6757 0.6800 0.8586 0.8640 3.9851 3.9877 3.9975 4.0155 4.0612 4.0918 4.2398 4.2410 4.3286 4.3668 4.8875 4.8888 5.0411 5.0428 5.1656 5.2119 5.2949 5.3185 5.4267 5.4291 6.0390 6.0405 8.0434 8.0452 11.7590 11.7746 11.8752 11.8951 k = 0.0745 0.0430-0.0000 ( 2989 PWs) bands (ev): -11.3237 -11.3237 -10.9693 -10.9685 -0.7609 -0.7549 0.5234 0.5287 0.5706 0.5725 0.6116 0.6168 0.6751 0.6800 0.8584 0.8643 3.9802 3.9809 3.9938 4.0165 4.0619 4.0963 4.2386 4.2407 4.3246 4.3691 4.8730 4.8750 5.0285 5.0297 5.1567 5.2109 5.2671 5.2970 5.4167 5.4222 6.0980 6.0988 8.0883 8.0906 11.7030 11.7178 11.8691 11.8881 k = 0.0851 0.0491-0.0000 ( 2989 PWs) bands (ev): -11.3186 -11.3186 -10.9667 -10.9658 -0.7513 -0.7444 0.4998 0.5055 0.5507 0.5535 0.6061 0.6104 0.6752 0.6805 0.8581 0.8646 3.9722 3.9762 3.9902 4.0172 4.0627 4.1006 4.2372 4.2403 4.3207 4.3711 4.8565 4.8593 5.0147 5.0151 5.1473 5.2093 5.2390 5.2750 5.4063 5.4147 6.1611 6.1612 8.1386 8.1413 11.6412 11.6543 11.8631 11.8819 k = 0.0957 0.0553-0.0000 ( 2990 PWs) bands (ev): -11.3129 -11.3128 -10.9638 -10.9628 -0.7405 -0.7326 0.4728 0.4789 0.5280 0.5313 0.6013 0.6048 0.6758 0.6814 0.8579 0.8648 3.9636 3.9710 3.9867 4.0178 4.0635 4.1048 4.2354 4.2399 4.3167 4.3731 4.8380 4.8418 4.9994 4.9999 5.1372 5.2069 5.2109 5.2528 5.3955 5.4065 6.2274 6.2280 8.1935 8.1969 11.5749 11.5859 11.8571 11.8761 k = 0.1064 0.0614-0.0000 ( 2996 PWs) bands (ev): -11.3065 -11.3065 -10.9606 -10.9595 -0.7285 -0.7196 0.4428 0.4490 0.5030 0.5063 0.5970 0.5997 0.6767 0.6825 0.8577 0.8649 3.9547 3.9654 3.9834 4.0181 4.0642 4.1088 4.2331 4.2394 4.3129 4.3748 4.8179 4.8228 4.9827 4.9842 5.1265 5.1827 5.2042 5.2305 5.3842 5.3975 6.2969 6.2983 8.2527 8.2567 11.5049 11.5138 11.8513 11.8704 k = 0.1170 0.0676-0.0000 ( 2998 PWs) bands (ev): -11.2996 -11.2996 -10.9572 -10.9559 -0.7153 -0.7054 0.4100 0.4164 0.4759 0.4789 0.5928 0.5950 0.6777 0.6837 0.8574 0.8650 3.9454 3.9595 3.9803 4.0183 4.0650 4.1128 4.2305 4.2391 4.3093 4.3765 4.7964 4.8025 4.9652 4.9678 5.1151 5.1549 5.2008 5.2085 5.3723 5.3877 6.3695 6.3715 8.3153 8.3200 11.4323 11.4391 11.8456 11.8647 k = 0.1277 0.0737-0.0000 ( 3004 PWs) bands (ev): -11.2921 -11.2920 -10.9534 -10.9521 -0.7010 -0.6900 0.3747 0.3812 0.4470 0.4496 0.5888 0.5905 0.6789 0.6849 0.8570 0.8649 3.9358 3.9531 3.9775 4.0183 4.0657 4.1167 4.2274 4.2387 4.3061 4.3782 4.7736 4.7810 4.9471 4.9507 5.1029 5.1274 5.1866 5.1967 5.3597 5.3770 6.4448 6.4474 8.3806 8.3862 11.3579 11.3627 11.8400 11.8588 k = 0.1383 0.0798-0.0000 ( 3004 PWs) bands (ev): -11.2840 -11.2840 -10.9494 -10.9480 -0.6857 -0.6736 0.3374 0.3440 0.4166 0.4186 0.5850 0.5862 0.6800 0.6862 0.8565 0.8647 3.9260 3.9465 3.9750 4.0183 4.0664 4.1204 4.2237 4.2383 4.3031 4.3796 4.7500 4.7588 4.9286 4.9332 5.0899 5.1000 5.1651 5.1920 5.3466 5.3656 6.5226 6.5257 8.4481 8.4545 11.2824 11.2853 11.8344 11.8525 k = 0.1489 0.0860-0.0000 ( 3002 PWs) bands (ev): -11.2755 -11.2754 -10.9453 -10.9437 -0.6694 -0.6560 0.2982 0.3050 0.3849 0.3860 0.5811 0.5820 0.6812 0.6874 0.8559 0.8644 3.9161 3.9398 3.9728 4.0181 4.0669 4.1239 4.2196 4.2380 4.3005 4.3809 4.7258 4.7361 4.9097 4.9151 5.0730 5.0758 5.1442 5.1868 5.3329 5.3534 6.6026 6.6061 8.5170 8.5242 11.2066 11.2077 11.8284 11.8451 k = 0.1596 0.0921-0.0000 ( 2998 PWs) bands (ev): -11.2664 -11.2663 -10.9409 -10.9393 -0.6523 -0.6375 0.2576 0.2645 0.3519 0.3521 0.5774 0.5779 0.6823 0.6886 0.8551 0.8638 3.9061 3.9329 3.9709 4.0179 4.0674 4.1274 4.2148 4.2376 4.2983 4.3821 4.7011 4.7131 4.8906 4.8966 5.0459 5.0603 5.1239 5.1810 5.3187 5.3405 6.6844 6.6884 8.5865 8.5946 11.1304 11.1310 11.8215 11.8359 k = 0.1702 0.0983-0.0000 ( 3002 PWs) bands (ev): -11.2569 -11.2568 -10.9363 -10.9347 -0.6344 -0.6182 0.2157 0.2228 0.3172 0.3180 0.5736 0.5739 0.6834 0.6897 0.8541 0.8630 3.8960 3.9259 3.9693 4.0176 4.0678 4.1306 4.2093 4.2372 4.2966 4.3831 4.6764 4.6901 4.8714 4.8777 5.0190 5.0431 5.1045 5.1746 5.3039 5.3269 6.7679 6.7723 8.6560 8.6649 11.0541 11.0562 11.8124 11.8235 k = 0.1809 0.1044-0.0000 ( 3008 PWs) bands (ev): -11.2469 -11.2469 -10.9317 -10.9299 -0.6158 -0.5980 0.1730 0.1804 0.2813 0.2832 0.5699 0.5699 0.6844 0.6907 0.8529 0.8620 3.8859 3.9188 3.9681 4.0172 4.0683 4.1337 4.2034 4.2368 4.2953 4.3838 4.6515 4.6672 4.8519 4.8584 4.9920 5.0241 5.0863 5.1677 5.2887 5.3126 6.8528 6.8576 8.7246 8.7344 10.9792 10.9828 11.7996 11.8063 k = 0.1915 0.1106-0.0000 ( 3010 PWs) bands (ev): -11.2365 -11.2365 -10.9269 -10.9250 -0.5968 -0.5772 0.1298 0.1375 0.2447 0.2479 0.5660 0.5662 0.6854 0.6916 0.8513 0.8607 3.8759 3.9117 3.9671 4.0167 4.0687 4.1367 4.1972 4.2364 4.2945 4.3843 4.6270 4.6448 4.8324 4.8386 4.9651 5.0030 5.0692 5.1601 5.2730 5.2977 6.9387 6.9438 8.7917 8.8022 10.9061 10.9113 11.7809 11.7827 k = 0.2021 0.1167-0.0000 ( 3006 PWs) bands (ev): -11.2258 -11.2258 -10.9220 -10.9201 -0.5774 -0.5559 0.0865 0.0946 0.2076 0.2122 0.5622 0.5626 0.6863 0.6924 0.8495 0.8591 3.8660 3.9048 3.9666 4.0163 4.0693 4.1394 4.1905 4.2360 4.2942 4.3844 4.6028 4.6232 4.8128 4.8185 4.9382 4.9803 5.0532 5.1522 5.2570 5.2823 7.0254 7.0308 8.8565 8.8677 10.8354 10.8419 11.7519 11.7544 k = 0.2128 0.1228-0.0000 ( 3010 PWs) bands (ev): -11.2147 -11.2147 -10.9171 -10.9151 -0.5581 -0.5344 0.0434 0.0519 0.1701 0.1764 0.5584 0.5590 0.6870 0.6931 0.8474 0.8571 3.8564 3.8980 3.9664 4.0156 4.0699 4.1417 4.1834 4.2354 4.2942 4.3841 4.5792 4.6025 4.7933 4.7980 4.9115 4.9559 5.0379 5.1436 5.2407 5.2664 7.1126 7.1182 8.9185 8.9302 10.7672 10.7752 11.7142 11.7197 k = 0.2234 0.1290-0.0000 ( 3014 PWs) bands (ev): -11.2034 -11.2033 -10.9121 -10.9101 -0.5391 -0.5130 0.0010 0.0099 0.1325 0.1408 0.5547 0.5554 0.6877 0.6937 0.8448 0.8547 3.8470 3.8914 3.9666 4.0149 4.0706 4.1437 4.1763 4.2347 4.2947 4.3833 4.5563 4.5829 4.7738 4.7769 4.8848 4.9302 5.0231 5.1346 5.2240 5.2500 7.2000 7.2058 8.9768 8.9890 10.7020 10.7114 11.6711 11.6781 k = 0.2340 0.1351-0.0000 ( 3014 PWs) bands (ev): -11.1918 -11.1917 -10.9072 -10.9052 -0.5209 -0.4921 -0.0400 -0.0309 0.0950 0.1056 0.5510 0.5519 0.6883 0.6941 0.8419 0.8519 3.8381 3.8851 3.9672 4.0141 4.0715 4.1450 4.1696 4.2340 4.2956 4.3819 4.5341 4.5647 4.7545 4.7554 4.8585 4.9034 5.0088 5.1250 5.2072 5.2333 7.2873 7.2932 9.0311 9.0435 10.6400 10.6508 11.6241 11.6313 k = 0.2447 0.1413-0.0000 ( 3020 PWs) bands (ev): -11.1800 -11.1799 -10.9023 -10.9002 -0.5041 -0.4725 -0.0791 -0.0699 0.0577 0.0713 0.5475 0.5485 0.6888 0.6945 0.8385 0.8487 3.8294 3.8791 3.9681 4.0132 4.0726 4.1448 4.1637 4.2331 4.2969 4.3798 4.5129 4.5480 4.7332 4.7353 4.8325 4.8756 4.9947 5.1150 5.1902 5.2164 7.3741 7.3801 9.0808 9.0932 10.5815 10.5938 11.5748 11.5815 k = 0.2553 0.1474-0.0000 ( 3022 PWs) bands (ev): -11.1681 -11.1679 -10.8975 -10.8954 -0.4897 -0.4552 -0.1150 -0.1066 0.0211 0.0383 0.5440 0.5451 0.6892 0.6947 0.8346 0.8450 3.8213 3.8734 3.9694 4.0121 4.0740 4.1421 4.1601 4.2319 4.2985 4.3769 4.4926 4.5331 4.7103 4.7164 4.8072 4.8471 4.9808 5.1045 5.1732 5.1993 7.4601 7.4662 9.1256 9.1378 10.5267 10.5404 11.5244 11.5302 k = 0.2660 0.1536-0.0000 ( 3022 PWs) bands (ev): -11.1560 -11.1558 -10.8928 -10.8906 -0.4787 -0.4417 -0.1463 -0.1400 -0.0146 0.0072 0.5406 0.5418 0.6895 0.6948 0.8303 0.8407 3.8137 3.8682 3.9711 4.0110 4.0756 4.1367 4.1589 4.2305 4.3004 4.3731 4.4735 4.5201 4.6866 4.6978 4.7825 4.8179 4.9671 5.0936 5.1563 5.1820 7.5450 7.5512 9.1652 9.1770 10.4757 10.4909 11.4738 11.4785 k = 0.2766 0.1597-0.0000 ( 3012 PWs) bands (ev): -11.1438 -11.1436 -10.8882 -10.8860 -0.4726 -0.4342 -0.1712 -0.1695 -0.0488 -0.0209 0.5373 0.5386 0.6898 0.6948 0.8254 0.8360 3.8067 3.8635 3.9732 4.0098 4.0776 4.1299 4.1590 4.2288 4.3025 4.3685 4.4556 4.5092 4.6622 4.6797 4.7588 4.7881 4.9536 5.0822 5.1395 5.1649 7.6285 7.6346 9.1995 9.2107 10.4288 10.4454 11.4237 11.4273 k = 0.2872 0.1658-0.0000 ( 3012 PWs) bands (ev): -11.1316 -11.1314 -10.8837 -10.8816 -0.4726 -0.4349 -0.1949 -0.1884 -0.0804 -0.0450 0.5342 0.5355 0.6900 0.6946 0.8201 0.8307 3.8004 3.8593 3.9756 4.0085 4.0798 4.1225 4.1594 4.2267 4.3049 4.3631 4.4389 4.4999 4.6369 4.6619 4.7361 4.7579 4.9403 5.0704 5.1228 5.1478 7.7102 7.7163 9.2286 9.2389 10.3861 10.4040 11.3747 11.3771 k = 0.2979 0.1720-0.0000 ( 3024 PWs) bands (ev): -11.1195 -11.1192 -10.8795 -10.8773 -0.4795 -0.4448 -0.2168 -0.1991 -0.1071 -0.0632 0.5311 0.5325 0.6900 0.6943 0.8141 0.8248 3.7948 3.8556 3.9782 4.0070 4.0821 4.1149 4.1595 4.2240 4.3072 4.3572 4.4236 4.4921 4.6108 4.6446 4.7143 4.7275 4.9271 5.0582 5.1063 5.1309 7.7898 7.7957 9.2524 9.2618 10.3474 10.3667 11.3273 11.3285 k = 0.3085 0.1781-0.0000 ( 3032 PWs) bands (ev): -11.1074 -11.1071 -10.8755 -10.8733 -0.4932 -0.4627 -0.2369 -0.2091 -0.1238 -0.0740 0.5281 0.5296 0.6900 0.6939 0.8076 0.8184 3.7900 3.8526 3.9811 4.0054 4.0847 4.1074 4.1596 4.2210 4.3096 4.3510 4.4099 4.4855 4.5842 4.6279 4.6936 4.6971 4.9142 5.0454 5.0902 5.1143 7.8668 7.8726 9.2714 9.2798 10.3129 10.3333 11.2817 11.2818 k = 0.3191 0.1843-0.0000 ( 3030 PWs) bands (ev): -11.0954 -11.0951 -10.8717 -10.8695 -0.5121 -0.4863 -0.2572 -0.2256 -0.1257 -0.0766 0.5253 0.5268 0.6898 0.6934 0.8006 0.8115 3.7860 3.8503 3.9842 4.0039 4.0875 4.1002 4.1594 4.2175 4.3117 4.3448 4.3980 4.4798 4.5573 4.6121 4.6668 4.6740 4.9016 5.0323 5.0745 5.0982 7.9410 7.9466 9.2859 9.2932 10.2825 10.3038 11.2374 11.2383 k = 0.3298 0.1904-0.0000 ( 3026 PWs) bands (ev): -11.0836 -11.0832 -10.8682 -10.8660 -0.5349 -0.5132 -0.2786 -0.2487 -0.1150 -0.0715 0.5226 0.5241 0.6896 0.6927 0.7930 0.8039 3.7830 3.8486 3.9875 4.0023 4.0905 4.0934 4.1588 4.2136 4.3133 4.3389 4.3882 4.4744 4.5303 4.5971 4.6371 4.6553 4.8894 5.0187 5.0593 5.0827 8.0121 8.0175 9.2963 9.3024 10.2560 10.2780 11.1955 11.1973 k = 0.3404 0.1965-0.0000 ( 3026 PWs) bands (ev): -11.0720 -11.0716 -10.8649 -10.8628 -0.5598 -0.5416 -0.3010 -0.2745 -0.0970 -0.0603 0.5201 0.5215 0.6892 0.6918 0.7850 0.7959 3.7808 3.8476 3.9908 4.0008 4.0870 4.0935 4.1577 4.2093 4.3140 4.3334 4.3806 4.4686 4.5036 4.5830 4.6082 4.6375 4.8775 5.0047 5.0447 5.0678 8.0797 8.0848 9.3030 9.3081 10.2331 10.2557 11.1563 11.1590 k = 0.3511 0.2027-0.0000 ( 3022 PWs) bands (ev): -11.0607 -11.0602 -10.8620 -10.8599 -0.5856 -0.5703 -0.3238 -0.3009 -0.0752 -0.0446 0.5177 0.5191 0.6887 0.6907 0.7765 0.7875 3.7796 3.8473 3.9941 3.9993 4.0812 4.0965 4.1562 4.2047 4.3138 4.3283 4.3753 4.4619 4.4776 4.5701 4.5808 4.6207 4.8662 4.9903 5.0308 5.0536 8.1436 8.1484 9.3067 9.3108 10.2137 10.2365 11.1201 11.1234 k = 0.3617 0.2088-0.0000 ( 3024 PWs) bands (ev): -11.0497 -11.0492 -10.8593 -10.8573 -0.6116 -0.5985 -0.3465 -0.3268 -0.0514 -0.0259 0.5155 0.5169 0.6880 0.6894 0.7676 0.7787 3.7794 3.8476 3.9973 3.9978 4.0760 4.0995 4.1543 4.2000 4.3122 4.3236 4.3720 4.4529 4.4533 4.5551 4.5589 4.6046 4.8555 4.9757 5.0175 5.0401 8.2034 8.2079 9.3079 9.3111 10.1975 10.2202 11.0870 11.0908 k = 0.3723 0.2150-0.0000 ( 3028 PWs) bands (ev): -11.0391 -11.0386 -10.8570 -10.8551 -0.6369 -0.6258 -0.3686 -0.3515 -0.0265 -0.0053 0.5134 0.5147 0.6870 0.6879 0.7586 0.7696 3.7801 3.8484 3.9964 4.0003 4.0715 4.1022 4.1519 4.1951 4.3098 4.3191 4.3696 4.4305 4.4421 4.5328 4.5487 4.5894 4.8455 4.9609 5.0051 5.0274 8.2590 8.2631 9.3070 9.3095 10.1841 10.2064 11.0570 11.0612 k = 0.3830 0.2211-0.0000 ( 3028 PWs) bands (ev): -11.0289 -11.0284 -10.8551 -10.8532 -0.6612 -0.6516 -0.3897 -0.3749 -0.0013 0.0164 0.5115 0.5128 0.6858 0.6859 0.7495 0.7604 3.7819 3.8498 3.9951 4.0030 4.0677 4.1047 4.1493 4.1903 4.3065 4.3147 4.3659 4.4127 4.4279 4.5138 4.5401 4.5751 4.8364 4.9461 4.9936 5.0155 8.3102 8.3140 9.3046 9.3065 10.1731 10.1948 11.0303 11.0348 k = 0.3936 0.2273-0.0000 ( 3026 PWs) bands (ev): -11.0193 -11.0187 -10.8534 -10.8516 -0.6841 -0.6759 -0.4094 -0.3966 0.0237 0.0385 0.5098 0.5110 0.6835 0.6840 0.7406 0.7514 3.7847 3.8516 3.9940 4.0053 4.0648 4.1069 4.1464 4.1857 4.3027 4.3100 4.3578 4.4027 4.4114 4.4983 4.5330 4.5616 4.8282 4.9314 4.9830 5.0043 8.3568 8.3602 9.3012 9.3025 10.1644 10.1851 11.0068 11.0114 k = 0.4043 0.2334-0.0000 ( 3030 PWs) bands (ev): -11.0102 -11.0096 -10.8520 -10.8503 -0.7053 -0.6983 -0.4278 -0.4167 0.0482 0.0604 0.5083 0.5094 0.6805 0.6815 0.7322 0.7428 3.7883 3.8535 3.9930 4.0071 4.0627 4.1085 4.1434 4.1811 4.2978 4.3047 4.3457 4.3938 4.4003 4.4856 4.5270 4.5491 4.8211 4.9170 4.9735 4.9939 8.3989 8.4019 9.2971 9.2980 10.1575 10.1769 10.9864 10.9910 k = 0.4149 0.2395-0.0000 ( 3030 PWs) bands (ev): -11.0017 -11.0012 -10.8510 -10.8494 -0.7247 -0.7187 -0.4444 -0.4349 0.0717 0.0818 0.5070 0.5080 0.6767 0.6781 0.7248 0.7349 3.7929 3.8556 3.9923 4.0085 4.0613 4.1097 4.1406 4.1767 4.2913 4.2980 4.3342 4.3769 4.4021 4.4750 4.5219 4.5375 4.8152 4.9030 4.9650 4.9843 8.4362 8.4389 9.2927 9.2932 10.1521 10.1700 10.9692 10.9736 k = 0.4255 0.2457-0.0000 ( 3036 PWs) bands (ev): -10.9940 -10.9935 -10.8502 -10.8487 -0.7421 -0.7370 -0.4593 -0.4512 0.0938 0.1021 0.5058 0.5068 0.6722 0.6736 0.7188 0.7280 3.7982 3.8574 3.9919 4.0094 4.0606 4.1103 4.1380 4.1723 4.2824 4.2896 4.3258 4.3623 4.4057 4.4661 4.5173 4.5271 4.8105 4.8895 4.9576 4.9755 8.4689 8.4712 9.2882 9.2886 10.1480 10.1642 10.9548 10.9589 k = 0.4362 0.2518-0.0000 ( 3032 PWs) bands (ev): -10.9871 -10.9866 -10.8496 -10.8483 -0.7573 -0.7531 -0.4723 -0.4656 0.1143 0.1210 0.5049 0.5057 0.6669 0.6681 0.7142 0.7223 3.8043 3.8587 3.9918 4.0099 4.0609 4.1102 4.1360 4.1679 4.2721 4.2795 4.3210 4.3509 4.4102 4.4585 4.5131 4.5178 4.8073 4.8767 4.9514 4.9675 8.4970 8.4989 9.2840 9.2842 10.1450 10.1592 10.9432 10.9469 k = 0.4468 0.2580-0.0000 ( 3028 PWs) bands (ev): -10.9810 -10.9806 -10.8492 -10.8481 -0.7703 -0.7669 -0.4833 -0.4778 0.1326 0.1379 0.5042 0.5049 0.6611 0.6619 0.7110 0.7177 3.8111 3.8594 3.9920 4.0096 4.0622 4.1094 4.1346 4.1631 4.2619 4.2685 4.3188 4.3425 4.4149 4.4522 4.5091 4.5098 4.8056 4.8646 4.9464 4.9604 8.5206 8.5222 9.2801 9.2802 10.1429 10.1550 10.9340 10.9372 k = 0.4574 0.2641-0.0000 ( 3022 PWs) bands (ev): -10.9759 -10.9755 -10.8490 -10.8481 -0.7810 -0.7783 -0.4924 -0.4880 0.1485 0.1525 0.5036 0.5042 0.6553 0.6558 0.7090 0.7142 3.8182 3.8591 3.9926 4.0086 4.0649 4.1077 4.1340 4.1579 4.2528 4.2578 4.3182 4.3365 4.4196 4.4469 4.5034 4.5054 4.8053 4.8533 4.9426 4.9542 8.5397 8.5410 9.2768 9.2768 10.1416 10.1514 10.9270 10.9296 k = 0.4681 0.2702-0.0000 ( 3024 PWs) bands (ev): -10.9718 -10.9715 -10.8489 -10.8482 -0.7893 -0.7873 -0.4993 -0.4961 0.1615 0.1644 0.5032 0.5037 0.6501 0.6503 0.7077 0.7116 3.8254 3.8576 3.9937 4.0068 4.0691 4.1048 4.1340 4.1524 4.2454 4.2487 4.3186 4.3320 4.4238 4.4427 4.4985 4.5017 4.8065 4.8430 4.9400 4.9489 8.5545 8.5554 9.2741 9.2741 10.1409 10.1483 10.9219 10.9240 k = 0.4787 0.2764-0.0000 ( 3018 PWs) bands (ev): -10.9688 -10.9686 -10.8488 -10.8483 -0.7951 -0.7938 -0.5042 -0.5021 0.1711 0.1730 0.5030 0.5033 0.6459 0.6460 0.7072 0.7097 3.8326 3.8548 3.9952 4.0046 4.0748 4.1006 4.1348 4.1471 4.2401 4.2420 4.3198 4.3286 4.4276 4.4392 4.4954 4.4986 4.8092 4.8338 4.9386 4.9447 8.5651 8.5657 9.2722 9.2722 10.1408 10.1458 10.9186 10.9200 k = 0.4894 0.2825-0.0000 ( 3022 PWs) bands (ev): -10.9669 -10.9668 -10.8487 -10.8484 -0.7985 -0.7979 -0.5069 -0.5058 0.1773 0.1782 0.5029 0.5031 0.6432 0.6432 0.7071 0.7083 3.8394 3.8507 3.9971 4.0020 4.0814 4.0950 4.1363 4.1425 4.2370 4.2378 4.3213 4.3257 4.4307 4.4362 4.4941 4.4959 4.8134 4.8257 4.9384 4.9414 8.5714 8.5717 9.2710 9.2710 10.1413 10.1438 10.9168 10.9175 k = 0.5000 0.2887-0.0000 ( 3022 PWs) bands (ev): -10.9663 -10.9663 -10.8486 -10.8486 -0.7994 -0.7994 -0.5074 -0.5074 0.1797 0.1797 0.5029 0.5029 0.6422 0.6422 0.7075 0.7075 3.8455 3.8455 3.9994 3.9994 4.0884 4.0884 4.1389 4.1389 4.2362 4.2362 4.3233 4.3233 4.4335 4.4335 4.4943 4.4943 4.8189 4.8189 4.9393 4.9393 8.5736 8.5736 9.2706 9.2706 10.1423 10.1423 10.9165 10.9165 k = 0.5000 0.2887-0.0000 ( 3022 PWs) bands (ev): -10.9663 -10.9663 -10.8486 -10.8486 -0.7994 -0.7994 -0.5074 -0.5074 0.1797 0.1797 0.5029 0.5029 0.6422 0.6422 0.7075 0.7075 3.8455 3.8455 3.9994 3.9994 4.0884 4.0884 4.1389 4.1389 4.2362 4.2362 4.3233 4.3233 4.4335 4.4335 4.4943 4.4943 4.8189 4.8189 4.9393 4.9393 8.5736 8.5736 9.2706 9.2706 10.1423 10.1423 10.9165 10.9165 k = 0.4938 0.2994-0.0000 ( 3022 PWs) bands (ev): -10.9661 -10.9661 -10.8486 -10.8485 -0.7986 -0.7986 -0.5069 -0.5069 0.1794 0.1807 0.5010 0.5017 0.6389 0.6445 0.7036 0.7092 3.8425 3.8488 3.9909 4.0072 4.0820 4.0946 4.1363 4.1410 4.2353 4.2355 4.3228 4.3240 4.4305 4.4376 4.4921 4.4970 4.8084 4.8282 4.9295 4.9479 8.5766 8.5770 9.2744 9.2747 10.1428 10.1430 10.9166 10.9170 k = 0.4877 0.3101-0.0000 ( 3022 PWs) bands (ev): -10.9656 -10.9655 -10.8486 -10.8485 -0.7961 -0.7960 -0.5053 -0.5051 0.1798 0.1826 0.4958 0.4973 0.6343 0.6459 0.6974 0.7088 3.8397 3.8522 3.9817 4.0142 4.0751 4.1005 4.1333 4.1427 4.2329 4.2331 4.3222 4.3250 4.4286 4.4427 4.4904 4.5000 4.7972 4.8363 4.9188 4.9552 8.5859 8.5867 9.2863 9.2868 10.1444 10.1448 10.9173 10.9181 k = 0.4815 0.3208-0.0000 ( 3028 PWs) bands (ev): -10.9647 -10.9646 -10.8486 -10.8484 -0.7920 -0.7918 -0.5025 -0.5023 0.1810 0.1852 0.4875 0.4898 0.6284 0.6463 0.6890 0.7066 3.8371 3.8558 3.9718 4.0204 4.0678 4.1063 4.1298 4.1440 4.2292 4.2295 4.3214 4.3265 4.4275 4.4486 4.4894 4.5032 4.7852 4.8425 4.9076 4.9609 8.6014 8.6026 9.3058 9.3066 10.1472 10.1478 10.9188 10.9200 k = 0.4753 0.3314-0.0000 ( 3030 PWs) bands (ev): -10.9635 -10.9634 -10.8486 -10.8483 -0.7862 -0.7859 -0.4986 -0.4984 0.1828 0.1887 0.4760 0.4793 0.6210 0.6458 0.6784 0.7029 3.8348 3.8596 3.9613 4.0254 4.0604 4.1117 4.1260 4.1451 4.2238 4.2252 4.3204 4.3286 4.4269 4.4550 4.4893 4.5065 4.7729 4.8462 4.8968 4.9649 8.6229 8.6246 9.3327 9.3339 10.1509 10.1517 10.9211 10.9228 k = 0.4691 0.3421-0.0000 ( 3032 PWs) bands (ev): -10.9619 -10.9617 -10.8485 -10.8482 -0.7787 -0.7784 -0.4937 -0.4934 0.1852 0.1929 0.4615 0.4660 0.6118 0.6438 0.6662 0.6979 3.8327 3.8635 3.9502 4.0285 4.0534 4.1160 4.1230 4.1461 4.2174 4.2203 4.3192 4.3313 4.4266 4.4619 4.4900 4.5098 4.7604 4.8459 4.8880 4.9673 8.6501 8.6522 9.3664 9.3681 10.1556 10.1565 10.9246 10.9268 k = 0.4630 0.3528-0.0000 ( 3040 PWs) bands (ev): -10.9600 -10.9598 -10.8485 -10.8481 -0.7696 -0.7692 -0.4877 -0.4874 0.1882 0.1979 0.4441 0.4501 0.6006 0.6384 0.6545 0.6919 3.8309 3.8673 3.9386 4.0278 4.0489 4.1148 4.1251 4.1470 4.2101 4.2151 4.3181 4.3345 4.4261 4.4688 4.4917 4.5132 4.7478 4.8402 4.8826 4.9680 8.6828 8.6853 9.4062 9.4086 10.1609 10.1620 10.9295 10.9324 k = 0.4568 0.3635-0.0000 ( 3036 PWs) bands (ev): -10.9578 -10.9576 -10.8485 -10.8480 -0.7589 -0.7584 -0.4807 -0.4803 0.1914 0.2037 0.4239 0.4319 0.5872 0.6258 0.6474 0.6854 3.8292 3.8709 3.9267 4.0221 4.0483 4.1103 4.1302 4.1481 4.2025 4.2097 4.3170 4.3383 4.4255 4.4757 4.4943 4.5166 4.7353 4.8298 4.8802 4.9670 8.7205 8.7234 9.4513 9.4545 10.1668 10.1680 10.9363 10.9398 k = 0.4506 0.3742-0.0000 ( 3034 PWs) bands (ev): -10.9553 -10.9550 -10.8485 -10.8479 -0.7466 -0.7461 -0.4728 -0.4723 0.1948 0.2103 0.4011 0.4118 0.5717 0.6076 0.6431 0.6783 3.8278 3.8742 3.9146 4.0133 4.0498 4.1050 4.1355 4.1492 4.1948 4.2045 4.3160 4.3426 4.4247 4.4823 4.4976 4.5201 4.7231 4.8165 4.8790 4.9641 8.7628 8.7661 9.5007 9.5048 10.1729 10.1741 10.9455 10.9498 k = 0.4444 0.3849-0.0000 ( 3030 PWs) bands (ev): -10.9524 -10.9521 -10.8485 -10.8479 -0.7328 -0.7321 -0.4639 -0.4634 0.1978 0.2176 0.3759 0.3904 0.5540 0.5866 0.6391 0.6710 3.8265 3.8770 3.9022 4.0034 4.0516 4.0995 4.1403 4.1503 4.1875 4.1997 4.3152 4.3473 4.4236 4.4883 4.5015 4.5238 4.7113 4.8019 4.8778 4.9597 8.8092 8.8129 9.5532 9.5584 10.1790 10.1802 10.9579 10.9631 k = 0.4383 0.3956-0.0000 ( 3030 PWs) bands (ev): -10.9493 -10.9490 -10.8486 -10.8479 -0.7174 -0.7167 -0.4543 -0.4537 0.1998 0.2255 0.3486 0.3685 0.5343 0.5637 0.6349 0.6635 3.8253 3.8790 3.8898 3.9934 4.0532 4.0937 4.1438 4.1510 4.1817 4.1958 4.3145 4.3526 4.4223 4.4933 4.5057 4.5281 4.7000 4.7866 4.8759 4.9535 8.8592 8.8633 9.6073 9.6138 10.1848 10.1860 10.9741 10.9803 k = 0.4321 0.4063-0.0000 ( 3030 PWs) bands (ev): -10.9459 -10.9455 -10.8488 -10.8480 -0.7006 -0.6997 -0.4439 -0.4432 0.1995 0.2338 0.3196 0.3476 0.5128 0.5392 0.6301 0.6557 3.8242 3.8775 3.8798 3.9841 4.0544 4.0878 4.1446 4.1507 4.1787 4.1936 4.3140 4.3584 4.4209 4.4969 4.5101 4.5330 4.6894 4.7712 4.8731 4.9457 8.9124 8.9169 9.6616 9.6695 10.1899 10.1910 10.9953 11.0024 k = 0.4259 0.4170-0.0000 ( 3034 PWs) bands (ev): -10.9423 -10.9419 -10.8490 -10.8482 -0.6823 -0.6814 -0.4328 -0.4320 0.1952 0.2417 0.2900 0.3297 0.4897 0.5134 0.6248 0.6477 3.8232 3.8654 3.8790 3.9761 4.0552 4.0818 4.1416 4.1487 4.1796 4.1938 4.3136 4.3647 4.4195 4.4990 4.5146 4.5387 4.6795 4.7559 4.8692 4.9363 8.9681 8.9730 9.7144 9.7238 10.1941 10.1949 11.0223 11.0304 k = 0.4198 0.4277-0.0000 ( 3024 PWs) bands (ev): -10.9385 -10.9380 -10.8493 -10.8484 -0.6627 -0.6616 -0.4212 -0.4203 0.1847 0.2412 0.2679 0.3171 0.4655 0.4868 0.6189 0.6393 3.8222 3.8539 3.8763 3.9699 4.0557 4.0757 4.1360 4.1449 4.1837 4.1967 4.3134 4.3717 4.4182 4.4997 4.5191 4.5452 4.6704 4.7409 4.8645 4.9256 9.0258 9.0313 9.7641 9.7750 10.1971 10.1975 11.0561 11.0651 k = 0.4136 0.4384-0.0000 ( 3016 PWs) bands (ev): -10.9345 -10.9339 -10.8498 -10.8488 -0.6417 -0.6404 -0.4092 -0.4082 0.1668 0.2153 0.2706 0.3113 0.4405 0.4595 0.6123 0.6306 3.8213 3.8429 3.8716 3.9658 4.0558 4.0696 4.1290 4.1397 4.1893 4.2019 4.3132 4.3792 4.4169 4.4990 4.5235 4.5521 4.6623 4.7265 4.8589 4.9134 9.0851 9.0910 9.8089 9.8213 10.1985 10.1985 11.0976 11.1073 k = 0.4074 0.4491-0.0000 ( 3018 PWs) bands (ev): -10.9303 -10.9297 -10.8503 -10.8494 -0.6195 -0.6180 -0.3969 -0.3957 0.1425 0.1814 0.2807 0.3114 0.4150 0.4319 0.6051 0.6214 3.8201 3.8327 3.8652 3.9636 4.0557 4.0634 4.1214 4.1335 4.1958 4.2089 4.3128 4.3872 4.4158 4.4969 4.5275 4.5592 4.6551 4.7128 4.8523 4.8998 9.1454 9.1519 9.8477 9.8613 10.1976 10.1981 11.1472 11.1574 k = 0.4012 0.4597-0.0000 ( 3012 PWs) bands (ev): -10.9259 -10.9253 -10.8511 -10.8501 -0.5961 -0.5944 -0.3844 -0.3832 0.1137 0.1458 0.2925 0.3156 0.3896 0.4043 0.5971 0.6117 3.8177 3.8246 3.8574 3.9630 4.0554 4.0572 4.1138 4.1267 4.2027 4.2174 4.3124 4.3958 4.4148 4.4937 4.5312 4.5664 4.6491 4.7002 4.8451 4.8850 9.2063 9.2133 9.8793 9.8940 10.1948 10.1958 11.2048 11.2152 k = 0.3951 0.4704-0.0000 ( 3012 PWs) bands (ev): -10.9214 -10.9207 -10.8520 -10.8510 -0.5717 -0.5697 -0.3721 -0.3707 0.0820 0.1093 0.3051 0.3218 0.3654 0.3773 0.5885 0.6015 3.8115 3.8211 3.8489 3.9637 4.0511 4.0550 4.1064 4.1197 4.2098 4.2269 4.3119 4.4049 4.4140 4.4893 4.5345 4.5731 4.6443 4.6889 4.8371 4.8691 9.2673 9.2748 9.9033 9.9188 10.1900 10.1916 11.2699 11.2800 k = 0.3889 0.4811-0.0000 ( 3014 PWs) bands (ev): -10.9169 -10.9161 -10.8531 -10.8521 -0.5462 -0.5438 -0.3600 -0.3585 0.0486 0.0724 0.3178 0.3244 0.3476 0.3514 0.5791 0.5907 3.8040 3.8198 3.8400 3.9652 4.0450 4.0546 4.0992 4.1126 4.2169 4.2373 4.3114 4.4133 4.4144 4.4840 4.5372 4.5790 4.6408 4.6793 4.8286 4.8523 9.3278 9.3360 9.9194 9.9356 10.1833 10.1855 11.3411 11.3505 k = 0.3827 0.4918-0.0000 ( 3018 PWs) bands (ev): -10.9122 -10.9114 -10.8545 -10.8534 -0.5200 -0.5171 -0.3485 -0.3469 0.0144 0.0355 0.3096 0.3216 0.3364 0.3497 0.5690 0.5794 3.7971 3.8189 3.8312 3.9672 4.0390 4.0542 4.0925 4.1057 4.2240 4.2483 4.3108 4.4127 4.4239 4.4779 4.5392 4.5835 4.6387 4.6720 4.8198 4.8346 9.3877 9.3965 9.9281 9.9445 10.1749 10.1776 11.4164 11.4247 k = 0.3765 0.5025-0.0000 ( 3026 PWs) bands (ev): -10.9075 -10.9067 -10.8561 -10.8550 -0.4931 -0.4895 -0.3377 -0.3361 -0.0202 -0.0013 0.2890 0.3003 0.3485 0.3603 0.5582 0.5673 3.7912 3.8181 3.8227 3.9697 4.0331 4.0539 4.0863 4.0989 4.2309 4.2594 4.3105 4.4122 4.4326 4.4720 4.5403 4.5861 4.6382 4.6677 4.8107 4.8162 9.4463 9.4559 9.9297 9.9462 10.1652 10.1684 11.4934 11.5001 k = 0.3704 0.5132-0.0000 ( 3036 PWs) bands (ev): -10.9029 -10.9019 -10.8579 -10.8568 -0.4658 -0.4613 -0.3278 -0.3263 -0.0546 -0.0374 0.2693 0.2790 0.3632 0.3730 0.5466 0.5546 3.7863 3.8147 3.8174 3.9725 4.0273 4.0539 4.0806 4.0924 4.2378 4.2696 4.3114 4.4117 4.4380 4.4686 4.5405 4.5865 4.6393 4.6666 4.7973 4.8016 9.5033 9.5138 9.9248 9.9412 10.1546 10.1580 11.5690 11.5740 k = 0.3642 0.5239-0.0000 ( 3028 PWs) bands (ev): -10.8982 -10.8972 -10.8601 -10.8590 -0.4387 -0.4327 -0.3189 -0.3179 -0.0883 -0.0728 0.2518 0.2599 0.3786 0.3866 0.5342 0.5412 3.7827 3.8074 3.8168 3.9757 4.0217 4.0542 4.0757 4.0864 4.2445 4.2777 4.3148 4.4113 4.4360 4.4720 4.5398 4.5848 4.6421 4.6686 4.7783 4.7928 9.5583 9.5698 9.9141 9.9302 10.1435 10.1471 11.6400 11.6432 k = 0.3580 0.5346-0.0000 ( 3020 PWs) bands (ev): -10.8936 -10.8925 -10.8625 -10.8614 -0.4123 -0.4041 -0.3109 -0.3109 -0.1209 -0.1068 0.2371 0.2436 0.3945 0.4011 0.5211 0.5272 3.7803 3.8008 3.8162 3.9791 4.0162 4.0550 4.0717 4.0809 4.2509 4.2820 4.3223 4.4109 4.4278 4.4807 4.5380 4.5816 4.6464 4.6731 4.7593 4.7845 9.6107 9.6235 9.8982 9.9138 10.1327 10.1361 11.7032 11.7046 k = 0.3519 0.5453-0.0000 ( 3008 PWs) bands (ev): -10.8890 -10.8879 -10.8653 -10.8642 -0.3882 -0.3766 -0.3051 -0.3032 -0.1515 -0.1390 0.2257 0.2306 0.4107 0.4161 0.5072 0.5123 3.7791 3.7951 3.8156 3.9828 4.0109 4.0561 4.0685 4.0758 4.2571 4.2825 4.3334 4.4105 4.4167 4.4914 4.5354 4.5778 4.6519 4.6791 4.7408 4.7771 9.6600 9.6744 9.8779 9.8927 10.1228 10.1258 11.7553 11.7553 k = 0.3457 0.5560-0.0000 ( 3012 PWs) bands (ev): -10.8847 -10.8834 -10.8684 -10.8673 -0.3688 -0.3521 -0.2994 -0.2946 -0.1788 -0.1684 0.2177 0.2210 0.4273 0.4316 0.4926 0.4968 3.7791 3.7901 3.8151 3.9867 4.0056 4.0577 4.0662 4.0711 4.2629 4.2806 4.3467 4.4040 4.4100 4.5021 4.5315 4.5741 4.6583 4.6857 4.7232 4.7709 9.7050 9.7219 9.8540 9.8672 10.1146 10.1170 11.7930 11.7939 k = 0.3395 0.5667-0.0000 ( 3012 PWs) bands (ev): -10.8805 -10.8790 -10.8717 -10.8708 -0.3569 -0.3356 -0.2912 -0.2856 -0.1995 -0.1928 0.2133 0.2150 0.4441 0.4474 0.4773 0.4806 3.7803 3.7859 3.8147 3.9910 4.0006 4.0598 4.0648 4.0670 4.2683 4.2774 4.3611 4.3902 4.4094 4.5122 4.5266 4.5711 4.6646 4.6922 4.7079 4.7667 9.7435 9.7650 9.8284 9.8381 10.1091 10.1105 11.8163 11.8172 k = 0.3333 0.5774-0.0000 ( 3012 PWs) bands (ev): -10.8777 -10.8753 -10.8742 -10.8742 -0.3532 -0.3305 -0.2831 -0.2831 -0.2058 -0.2058 0.2124 0.2124 0.4591 0.4635 0.4635 0.4638 3.7827 3.7827 3.8145 3.9956 3.9956 4.0616 4.0645 4.0645 4.2731 4.2731 4.3758 4.3758 4.4091 4.5204 4.5204 4.5700 4.6680 4.6979 4.6979 4.7652 9.7638 9.7965 9.8120 9.8120 10.1075 10.1075 11.8245 11.8245 k = 0.3333 0.5774-0.0000 ( 3012 PWs) bands (ev): -10.8777 -10.8753 -10.8742 -10.8742 -0.3532 -0.3305 -0.2831 -0.2831 -0.2058 -0.2058 0.2124 0.2124 0.4591 0.4635 0.4635 0.4638 3.7827 3.7827 3.8145 3.9956 3.9956 4.0616 4.0645 4.0645 4.2731 4.2731 4.3758 4.3758 4.4091 4.5204 4.5204 4.5700 4.6680 4.6979 4.6979 4.7652 9.7638 9.7965 9.8120 9.8120 10.1075 10.1075 11.8245 11.8245 k = 0.3272 0.5667-0.0000 ( 3012 PWs) bands (ev): -10.8806 -10.8791 -10.8717 -10.8707 -0.3562 -0.3342 -0.2929 -0.2863 -0.1988 -0.1930 0.2131 0.2149 0.4446 0.4460 0.4788 0.4800 3.7802 3.7859 3.8148 3.9908 4.0007 4.0596 4.0652 4.0669 4.2682 4.2774 4.3612 4.3895 4.4101 4.5128 4.5257 4.5713 4.6637 4.6985 4.7026 4.7668 9.7443 9.7668 9.8259 9.8375 10.1094 10.1110 11.8160 11.8178 k = 0.3210 0.5560-0.0000 ( 3016 PWs) bands (ev): -10.8852 -10.8838 -10.8681 -10.8669 -0.3642 -0.3435 -0.3083 -0.2985 -0.1766 -0.1691 0.2166 0.2204 0.4278 0.4278 0.4961 0.4967 3.7785 3.7897 3.8159 3.9862 4.0062 4.0571 4.0670 4.0711 4.2628 4.2806 4.3466 4.3979 4.4163 4.5035 4.5279 4.5749 4.6552 4.7065 4.7065 4.7717 9.7086 9.7275 9.8457 9.8624 10.1171 10.1204 11.7928 11.7970 k = 0.3148 0.5453-0.0000 ( 3016 PWs) bands (ev): -10.8902 -10.8889 -10.8646 -10.8633 -0.3758 -0.3570 -0.3239 -0.3118 -0.1482 -0.1405 0.2222 0.2283 0.4092 0.4109 0.5134 0.5135 3.7776 3.7934 3.8186 3.9817 4.0121 4.0552 4.0700 4.0763 4.2567 4.2825 4.3330 4.3993 4.4293 4.4927 4.5278 4.5795 4.6472 4.7106 4.7173 4.7792 9.6677 9.6848 9.8607 9.8801 10.1312 10.1357 11.7565 11.7633 k = 0.3086 0.5346-0.0000 ( 3010 PWs) bands (ev): -10.8958 -10.8945 -10.8614 -10.8600 -0.3896 -0.3728 -0.3380 -0.3237 -0.1175 -0.1099 0.2292 0.2381 0.3904 0.3944 0.5302 0.5310 3.7775 3.7961 3.8238 3.9774 4.0183 4.0539 4.0741 4.0826 4.2504 4.2817 4.3216 4.3983 4.4443 4.4805 4.5267 4.5836 4.6413 4.7161 4.7295 4.7888 9.6232 9.6391 9.8701 9.8912 10.1509 10.1563 11.7092 11.7185 k = 0.3025 0.5239-0.0000 ( 3014 PWs) bands (ev): -10.9018 -10.9006 -10.8585 -10.8570 -0.4042 -0.3892 -0.3505 -0.3344 -0.0858 -0.0782 0.2363 0.2489 0.3719 0.3790 0.5470 0.5485 3.7779 3.7975 3.8317 3.9732 4.0246 4.0534 4.0793 4.0898 4.2437 4.2765 4.3141 4.3964 4.4584 4.4683 4.5250 4.5862 4.6379 4.7236 4.7426 4.7997 9.5756 9.5905 9.8749 9.8970 10.1750 10.1808 11.6534 11.6648 k = 0.2963 0.5132-0.0000 ( 3022 PWs) bands (ev): -10.9082 -10.9070 -10.8558 -10.8543 -0.4183 -0.4047 -0.3616 -0.3439 -0.0537 -0.0460 0.2417 0.2591 0.3548 0.3663 0.5637 0.5659 3.7789 3.7978 3.8419 3.9691 4.0308 4.0540 4.0855 4.0982 4.2367 4.2670 4.3109 4.3940 4.4515 4.4760 4.5235 4.5870 4.6370 4.7334 4.7564 4.8116 9.5249 9.5389 9.8764 9.8992 10.2019 10.2079 11.5915 11.6044 k = 0.2901 0.5025-0.0000 ( 3022 PWs) bands (ev): -10.9151 -10.9140 -10.8535 -10.8519 -0.4312 -0.4188 -0.3716 -0.3524 -0.0218 -0.0138 0.2432 0.2659 0.3418 0.3583 0.5804 0.5831 3.7805 3.7977 3.8542 3.9652 4.0364 4.0562 4.0927 4.1076 4.2297 4.2552 4.3101 4.3914 4.4370 4.4905 4.5222 4.5864 4.6386 4.7455 4.7708 4.8242 9.4713 9.4843 9.8756 9.8990 10.2303 10.2364 11.5256 11.5397 k = 0.2840 0.4918-0.0000 ( 3026 PWs) bands (ev): -10.9224 -10.9214 -10.8515 -10.8498 -0.4424 -0.4309 -0.3804 -0.3598 0.0098 0.0184 0.2385 0.2642 0.3377 0.3568 0.5968 0.6001 3.7826 3.7973 3.8681 3.9614 4.0406 4.0604 4.1006 4.1180 4.2228 4.2430 4.3102 4.3885 4.4223 4.5045 4.5213 4.5846 4.6426 4.7594 4.7858 4.8373 9.4147 9.4268 9.8733 9.8971 10.2594 10.2656 11.4577 11.4725 k = 0.2778 0.4811-0.0000 ( 3030 PWs) bands (ev): -10.9302 -10.9292 -10.8499 -10.8481 -0.4515 -0.4409 -0.3879 -0.3660 0.0407 0.0501 0.2278 0.2524 0.3439 0.3620 0.6131 0.6169 3.7850 3.7968 3.8835 3.9578 4.0438 4.0665 4.1091 4.1290 4.2167 4.2316 4.3104 4.3853 4.4080 4.5178 4.5207 4.5822 4.6488 4.7749 4.8011 4.8508 9.3551 9.3662 9.8698 9.8940 10.2888 10.2951 11.3894 11.4045 k = 0.2716 0.4704-0.0000 ( 3034 PWs) bands (ev): -10.9385 -10.9375 -10.8486 -10.8468 -0.4583 -0.4485 -0.3941 -0.3708 0.0702 0.0813 0.2129 0.2345 0.3565 0.3721 0.6291 0.6334 3.7878 3.7962 3.9000 3.9544 4.0463 4.0740 4.1175 4.1395 4.2124 4.2220 4.3104 4.3814 4.3949 4.5205 4.5302 4.5796 4.6572 4.7915 4.8169 4.8645 9.2925 9.3026 9.8653 9.8901 10.3182 10.3246 11.3219 11.3370 k = 0.2654 0.4597-0.0000 ( 3030 PWs) bands (ev): -10.9471 -10.9462 -10.8477 -10.8458 -0.4628 -0.4536 -0.3989 -0.3741 0.0969 0.1115 0.1969 0.2140 0.3719 0.3853 0.6448 0.6496 3.7909 3.7958 3.9171 3.9518 4.0487 4.0823 4.1251 4.1476 4.2120 4.2152 4.3102 4.3752 4.3850 4.5205 4.5418 4.5774 4.6676 4.8090 4.8330 4.8785 9.2268 9.2359 9.8599 9.8851 10.3476 10.3542 11.2563 11.2712 k = 0.2593 0.4491-0.0000 ( 3026 PWs) bands (ev): -10.9562 -10.9553 -10.8472 -10.8452 -0.4648 -0.4561 -0.4022 -0.3758 0.1160 0.1393 0.1857 0.1938 0.3886 0.4002 0.6601 0.6654 3.7943 3.7955 3.9324 3.9522 4.0513 4.0910 4.1305 4.1509 4.2128 4.2180 4.3097 4.3654 4.3797 4.5204 4.5527 4.5759 4.6798 4.8273 4.8494 4.8927 9.1581 9.1661 9.8534 9.8791 10.3770 10.3837 11.1934 11.2079 k = 0.2531 0.4384-0.0000 ( 3034 PWs) bands (ev): -10.9657 -10.9648 -10.8471 -10.8451 -0.4642 -0.4561 -0.4041 -0.3759 0.1171 0.1527 0.1866 0.1904 0.4058 0.4161 0.6750 0.6807 3.7953 3.7978 3.9376 3.9634 4.0541 4.0998 4.1327 4.1489 4.2158 4.2309 4.3089 4.3549 4.3764 4.5200 4.5629 4.5755 4.6934 4.8460 4.8660 4.9069 9.0862 9.0932 9.8456 9.8718 10.4066 10.4135 11.1340 11.1479 k = 0.2469 0.4277-0.0000 ( 3022 PWs) bands (ev): -10.9756 -10.9748 -10.8473 -10.8453 -0.4611 -0.4534 -0.4045 -0.3744 0.1019 0.1369 0.2074 0.2097 0.4232 0.4325 0.6894 0.6955 3.7953 3.8016 3.9360 3.9823 4.0574 4.1086 4.1319 4.1438 4.2245 4.2488 4.3081 4.3452 4.3739 4.5193 4.5729 4.5768 4.7084 4.8652 4.8829 4.9212 9.0114 9.0173 9.8362 9.8629 10.4367 10.4436 11.0787 11.0918 k = 0.2407 0.4170-0.0000 ( 3018 PWs) bands (ev): -10.9859 -10.9851 -10.8480 -10.8459 -0.4553 -0.4481 -0.4035 -0.3712 0.0805 0.1146 0.2338 0.2339 0.4404 0.4489 0.7033 0.7098 3.7957 3.8054 3.9332 4.0028 4.0609 4.1163 4.1293 4.1381 4.2374 4.2700 4.3072 4.3364 4.3720 4.5179 4.5796 4.5826 4.7243 4.8848 4.8999 4.9354 8.9336 8.9384 9.8250 9.8520 10.4673 10.4743 11.0278 11.0400 k = 0.2346 0.4063-0.0000 ( 3022 PWs) bands (ev): -10.9965 -10.9958 -10.8490 -10.8469 -0.4470 -0.4402 -0.4013 -0.3666 0.0570 0.0917 0.2591 0.2603 0.4573 0.4652 0.7166 0.7235 3.7962 3.8094 3.9300 4.0232 4.0647 4.1194 4.1265 4.1357 4.2533 4.2933 4.3065 4.3289 4.3709 4.5162 4.5841 4.5923 4.7410 4.9045 4.9170 4.9496 8.8529 8.8567 9.8115 9.8388 10.4988 10.5058 10.9816 10.9930 k = 0.2284 0.3956-0.0000 ( 3018 PWs) bands (ev): -11.0074 -11.0067 -10.8504 -10.8482 -0.4362 -0.4296 -0.3979 -0.3607 0.0329 0.0690 0.2841 0.2862 0.4738 0.4812 0.7294 0.7366 3.7971 3.8135 3.9268 4.0426 4.0689 4.1147 4.1252 4.1406 4.2707 4.3069 4.3152 4.3258 4.3707 4.5143 4.5903 4.6023 4.7583 4.9244 4.9342 4.9637 8.7695 8.7723 9.7955 9.8230 10.5314 10.5383 10.9405 10.9508 k = 0.2222 0.3849-0.0000 ( 3018 PWs) bands (ev): -11.0187 -11.0181 -10.8522 -10.8500 -0.4231 -0.4164 -0.3937 -0.3537 0.0091 0.0473 0.3084 0.3112 0.4897 0.4967 0.7416 0.7490 3.7983 3.8177 3.9237 4.0589 4.0734 4.1072 4.1272 4.1476 4.2867 4.3107 4.3149 4.3471 4.3720 4.5124 4.5979 4.6127 4.7760 4.9445 4.9516 4.9777 8.6836 8.6855 9.7766 9.8042 10.5652 10.5720 10.9046 10.9138 k = 0.2160 0.3742-0.0000 ( 3016 PWs) bands (ev): -11.0302 -11.0296 -10.8543 -10.8521 -0.4081 -0.4008 -0.3884 -0.3461 -0.0138 0.0271 0.3319 0.3351 0.5050 0.5117 0.7531 0.7608 3.7999 3.8221 3.9208 4.0701 4.0781 4.0993 4.1347 4.1544 4.2950 4.3106 4.3241 4.3699 4.3794 4.5109 4.6068 4.6237 4.7940 4.9646 4.9690 4.9916 8.5954 8.5964 9.7546 9.7821 10.6004 10.6070 10.8740 10.8821 k = 0.2099 0.3635-0.0000 ( 3016 PWs) bands (ev): -11.0420 -11.0415 -10.8568 -10.8546 -0.3940 -0.3826 -0.3799 -0.3386 -0.0350 0.0089 0.3545 0.3581 0.5196 0.5261 0.7640 0.7720 3.8018 3.8266 3.9180 4.0755 4.0832 4.0914 4.1479 4.1605 4.2976 4.3069 4.3446 4.3764 4.4059 4.5101 4.6169 4.6353 4.8121 4.9847 4.9865 5.0053 8.5051 8.5052 9.7290 9.7564 10.6371 10.6435 10.8487 10.8556 k = 0.2037 0.3528-0.0000 ( 3020 PWs) bands (ev): -11.0540 -11.0535 -10.8596 -10.8574 -0.3867 -0.3631 -0.3622 -0.3318 -0.0535 -0.0065 0.3760 0.3799 0.5335 0.5398 0.7742 0.7824 3.8042 3.8312 3.9156 4.0772 4.0838 4.0885 4.1644 4.1654 4.2994 4.3038 4.3672 4.3824 4.4355 4.5105 4.6283 4.6477 4.8303 5.0040 5.0046 5.0190 8.4122 8.4129 9.6998 9.7268 10.6753 10.6815 10.8289 10.8345 k = 0.1975 0.3421-0.0000 ( 3018 PWs) bands (ev): -11.0662 -11.0657 -10.8628 -10.8605 -0.3841 -0.3408 -0.3401 -0.3264 -0.0681 -0.0185 0.3965 0.4007 0.5467 0.5527 0.7837 0.7921 3.8069 3.8360 3.9135 4.0767 4.0770 4.0939 4.1693 4.1817 4.3012 4.3020 4.3901 4.3903 4.4659 4.5129 4.6409 4.6613 4.8486 5.0216 5.0239 5.0331 8.3177 8.3191 9.6666 9.6932 10.7148 10.7211 10.8148 10.8186 k = 0.1914 0.3314-0.0000 ( 3026 PWs) bands (ev): -11.0785 -11.0781 -10.8662 -10.8639 -0.3844 -0.3284 -0.3157 -0.3120 -0.0773 -0.0262 0.4159 0.4203 0.5591 0.5649 0.7925 0.8011 3.8100 3.8408 3.9118 4.0701 4.0761 4.0996 4.1719 4.1978 4.2990 4.3062 4.3997 4.4123 4.4964 4.5182 4.6546 4.6760 4.8667 5.0392 5.0407 5.0493 8.2219 8.2239 9.6295 9.6554 10.7546 10.7623 10.8070 10.8081 k = 0.1852 0.3208-0.0000 ( 3018 PWs) bands (ev): -11.0910 -11.0906 -10.8699 -10.8676 -0.3878 -0.3311 -0.2881 -0.2853 -0.0800 -0.0291 0.4342 0.4388 0.5707 0.5764 0.8007 0.8094 3.8137 3.8460 3.9106 4.0640 4.0750 4.1054 4.1736 4.2116 4.2972 4.3127 4.4114 4.4320 4.5268 4.5277 4.6697 4.6922 4.8847 5.0546 5.0569 5.0681 8.1250 8.1276 9.5882 9.6134 10.7869 10.8025 10.8052 10.8138 k = 0.1790 0.3101-0.0000 ( 3020 PWs) bands (ev): -11.1035 -11.1032 -10.8739 -10.8716 -0.3946 -0.3397 -0.2583 -0.2560 -0.0757 -0.0268 0.4515 0.4562 0.5815 0.5871 0.8081 0.8170 3.8177 3.8513 3.9098 4.0584 4.0739 4.1113 4.1745 4.2222 4.2955 4.3215 4.4248 4.4482 4.5424 4.5564 4.6860 4.7101 4.9025 5.0670 5.0746 5.0878 8.0274 8.0304 9.5429 9.5672 10.7962 10.8025 10.8492 10.8500 k = 0.1728 0.2994-0.0000 ( 3024 PWs) bands (ev): -11.1161 -11.1158 -10.8780 -10.8758 -0.4046 -0.3531 -0.2266 -0.2246 -0.0649 -0.0194 0.4676 0.4725 0.5915 0.5970 0.8149 0.8239 3.8222 3.8567 3.9095 4.0534 4.0729 4.1172 4.1746 4.2296 4.2941 4.3321 4.4398 4.4615 4.5620 4.5850 4.7037 4.7300 4.9199 5.0788 5.0923 5.1077 7.9291 7.9326 9.4935 9.5169 10.8036 10.8074 10.8946 10.8947 k = 0.1667 0.2887-0.0000 ( 3024 PWs) bands (ev): -11.1286 -11.1284 -10.8824 -10.8802 -0.4177 -0.3702 -0.1930 -0.1913 -0.0485 -0.0072 0.4827 0.4877 0.6008 0.6061 0.8210 0.8301 3.8272 3.8624 3.9098 4.0490 4.0721 4.1230 4.1744 4.2344 4.2928 4.3434 4.4561 4.4735 4.5852 4.6124 4.7228 4.7519 4.9370 5.0900 5.1100 5.1274 7.8306 7.8345 9.4402 9.4625 10.8149 10.8173 10.9414 10.9415 k = 0.1605 0.2780-0.0000 ( 3018 PWs) bands (ev): -11.1411 -11.1410 -10.8870 -10.8848 -0.4333 -0.3901 -0.1577 -0.1563 -0.0277 0.0094 0.4968 0.5019 0.6093 0.6145 0.8266 0.8357 3.8326 3.8683 3.9106 4.0450 4.0714 4.1287 4.1740 4.2374 4.2918 4.3542 4.4737 4.4858 4.6104 4.6385 4.7436 4.7759 4.9537 5.1008 5.1278 5.1471 7.7320 7.7361 9.3831 9.4044 10.8309 10.8321 10.9893 10.9897 k = 0.1543 0.2673-0.0000 ( 3016 PWs) bands (ev): -11.1536 -11.1534 -10.8917 -10.8895 -0.4509 -0.4119 -0.1209 -0.1198 -0.0033 0.0296 0.5098 0.5150 0.6170 0.6222 0.8316 0.8407 3.8384 3.8743 3.9118 4.0416 4.0708 4.1338 4.1739 4.2392 4.2910 4.3635 4.4923 4.4996 4.6364 4.6631 4.7658 4.8017 4.9699 5.1111 5.1455 5.1665 7.6335 7.6378 9.3226 9.3427 10.8515 10.8516 11.0380 11.0389 k = 0.1481 0.2566-0.0000 ( 3018 PWs) bands (ev): -11.1659 -11.1658 -10.8965 -10.8944 -0.4699 -0.4347 -0.0828 -0.0819 0.0237 0.0529 0.5219 0.5271 0.6240 0.6291 0.8359 0.8451 3.8446 3.8805 3.9136 4.0386 4.0703 4.1380 4.1742 4.2401 4.2903 4.3708 4.5118 4.5154 4.6624 4.6864 4.7896 4.8289 4.9857 5.1209 5.1633 5.1857 7.5353 7.5398 9.2589 9.2778 10.8757 10.8767 11.0875 11.0889 k = 0.1420 0.2459-0.0000 ( 3014 PWs) bands (ev): -11.1781 -11.1780 -10.9014 -10.8993 -0.4899 -0.4582 -0.0434 -0.0429 0.0529 0.0787 0.5330 0.5382 0.6304 0.6354 0.8397 0.8490 3.8512 3.8869 3.9159 4.0360 4.0699 4.1410 4.1757 4.2405 4.2900 4.3762 4.5320 4.5334 4.6883 4.7088 4.8148 4.8573 5.0010 5.1301 5.1809 5.2045 7.4376 7.4423 9.1923 9.2100 10.9044 10.9063 11.1375 11.1394 k = 0.1358 0.2352-0.0000 ( 3018 PWs) bands (ev): -11.1901 -11.1900 -10.9064 -10.9044 -0.5105 -0.4818 -0.0031 -0.0028 0.0836 0.1066 0.5432 0.5485 0.6361 0.6410 0.8430 0.8523 3.8582 3.8933 3.9185 4.0337 4.0695 4.1424 4.1784 4.2406 4.2898 4.3799 4.5528 4.5532 4.7135 4.7306 4.8413 4.8861 5.0159 5.1389 5.1985 5.2229 7.3407 7.3454 9.1231 9.1396 10.9374 10.9403 11.1878 11.1901 k = 0.1296 0.2245-0.0000 ( 3018 PWs) bands (ev): -11.2019 -11.2018 -10.9114 -10.9094 -0.5314 -0.5054 0.0381 0.0381 0.1156 0.1360 0.5525 0.5578 0.6412 0.6460 0.8459 0.8551 3.8655 3.8999 3.9215 4.0318 4.0692 4.1425 4.1824 4.2406 4.2899 4.3823 4.5742 4.5743 4.7382 4.7519 4.8687 4.9150 5.0304 5.1471 5.2160 5.2409 7.2447 7.2493 9.0519 9.0671 10.9746 10.9785 11.2382 11.2410 k = 0.1235 0.2138-0.0000 ( 3014 PWs) bands (ev): -11.2134 -11.2134 -10.9165 -10.9145 -0.5523 -0.5287 0.0797 0.0798 0.1484 0.1666 0.5610 0.5663 0.6457 0.6504 0.8483 0.8575 3.8732 3.9066 3.9250 4.0301 4.0689 4.1414 4.1873 4.2404 4.2903 4.3836 4.5961 4.5966 4.7624 4.7730 4.8968 4.9435 5.0446 5.1548 5.2332 5.2584 7.1498 7.1544 8.9789 8.9929 11.0157 11.0206 11.2884 11.2915 k = 0.1173 0.2031-0.0000 ( 3012 PWs) bands (ev): -11.2246 -11.2246 -10.9214 -10.9195 -0.5730 -0.5515 0.1215 0.1219 0.1818 0.1980 0.5687 0.5740 0.6497 0.6543 0.8503 0.8594 3.8811 3.9134 3.9287 4.0287 4.0686 4.1395 4.1926 4.2403 4.2911 4.3842 4.6184 4.6196 4.7861 4.7941 4.9254 4.9712 5.0587 5.1621 5.2503 5.2754 7.0562 7.0606 8.9046 8.9175 11.0605 11.0665 11.3382 11.3417 k = 0.1111 0.1925-0.0000 ( 3012 PWs) bands (ev): -11.2354 -11.2354 -10.9264 -10.9245 -0.5933 -0.5737 0.1636 0.1642 0.2154 0.2300 0.5757 0.5809 0.6532 0.6577 0.8521 0.8611 3.8893 3.9202 3.9327 4.0275 4.0683 4.1370 4.1982 4.2400 4.2921 4.3842 4.6410 4.6430 4.8094 4.8151 4.9541 4.9976 5.0731 5.1688 5.2670 5.2918 6.9640 6.9683 8.8295 8.8412 11.1088 11.1159 11.3873 11.3910 k = 0.1049 0.1818-0.0000 ( 3000 PWs) bands (ev): -11.2459 -11.2459 -10.9312 -10.9294 -0.6130 -0.5952 0.2055 0.2063 0.2491 0.2622 0.5820 0.5872 0.6563 0.6607 0.8535 0.8623 3.8978 3.9271 3.9369 4.0265 4.0680 4.1342 4.2038 4.2399 4.2935 4.3839 4.6639 4.6668 4.8324 4.8362 4.9829 5.0223 5.0882 5.1751 5.2833 5.3076 6.8735 6.8776 8.7540 8.7646 11.1601 11.1685 11.4355 11.4393 k = 0.0988 0.1711-0.0000 ( 3006 PWs) bands (ev): -11.2560 -11.2560 -10.9359 -10.9342 -0.6321 -0.6159 0.2471 0.2480 0.2824 0.2942 0.5877 0.5928 0.6589 0.6633 0.8546 0.8633 3.9063 3.9338 3.9413 4.0256 4.0676 4.1311 4.2091 4.2398 4.2952 4.3831 4.6868 4.6904 4.8550 4.8572 5.0115 5.0444 5.1044 5.1808 5.2992 5.3227 6.7848 6.7887 8.6786 8.6881 11.2143 11.2239 11.4824 11.4864 k = 0.0926 0.1604-0.0000 ( 3010 PWs) bands (ev): -11.2657 -11.2656 -10.9405 -10.9389 -0.6505 -0.6357 0.2880 0.2891 0.3152 0.3259 0.5928 0.5978 0.6612 0.6655 0.8555 0.8640 3.9149 3.9406 3.9458 4.0247 4.0672 4.1278 4.2140 4.2396 4.2972 4.3821 4.7097 4.7140 4.8772 4.8781 5.0400 5.0637 5.1224 5.1860 5.3147 5.3370 6.6982 6.7017 8.6039 8.6123 11.2707 11.2818 11.5279 11.5319 k = 0.0864 0.1497-0.0000 ( 3004 PWs) bands (ev): -11.2748 -11.2748 -10.9449 -10.9434 -0.6680 -0.6545 0.3281 0.3293 0.3473 0.3569 0.5974 0.6023 0.6632 0.6674 0.8562 0.8645 3.9237 3.9473 3.9505 4.0240 4.0667 4.1243 4.2187 4.2396 4.2997 4.3810 4.7325 4.7372 4.8990 4.8990 5.0684 5.0801 5.1421 5.1908 5.3295 5.3505 6.6137 6.6168 8.5302 8.5376 11.3291 11.3417 11.5717 11.5757 k = 0.0802 0.1390-0.0000 ( 3012 PWs) bands (ev): -11.2835 -11.2834 -10.9492 -10.9477 -0.6845 -0.6723 0.3668 0.3682 0.3785 0.3870 0.6015 0.6063 0.6648 0.6689 0.8567 0.8649 3.9324 3.9538 3.9551 4.0232 4.0662 4.1207 4.2228 4.2396 4.3025 4.3797 4.7550 4.7599 4.9195 4.9203 5.0941 5.0965 5.1630 5.1951 5.3438 5.3632 6.5316 6.5343 8.4581 8.4646 11.3888 11.4031 11.6135 11.6173 k = 0.0741 0.1283-0.0000 ( 3012 PWs) bands (ev): -11.2916 -11.2916 -10.9532 -10.9518 -0.7000 -0.6890 0.4037 0.4056 0.4087 0.4161 0.6052 0.6100 0.6662 0.6703 0.8572 0.8651 3.9411 3.9597 3.9603 4.0224 4.0655 4.1169 4.2265 4.2397 4.3056 4.3782 4.7771 4.7820 4.9395 4.9409 5.1065 5.1247 5.1849 5.1989 5.3574 5.3751 6.4521 6.4544 8.3882 8.3939 11.4492 11.4655 11.6531 11.6568 k = 0.0679 0.1176-0.0000 ( 3012 PWs) bands (ev): -11.2992 -11.2992 -10.9570 -10.9557 -0.7145 -0.7045 0.4354 0.4409 0.4409 0.4439 0.6087 0.6133 0.6675 0.6715 0.8575 0.8651 3.9497 3.9644 3.9666 4.0216 4.0648 4.1130 4.2297 4.2398 4.3090 4.3766 4.7985 4.8031 4.9590 4.9607 5.1177 5.1528 5.2023 5.2071 5.3703 5.3861 6.3754 6.3771 8.3210 8.3258 11.5098 11.5281 11.6903 11.6938 k = 0.0617 0.1069-0.0000 ( 3002 PWs) bands (ev): -11.3062 -11.3062 -10.9605 -10.9593 -0.7278 -0.7189 0.4623 0.4692 0.4739 0.4749 0.6119 0.6165 0.6687 0.6725 0.8577 0.8650 3.9582 3.9690 3.9727 4.0208 4.0641 4.1091 4.2325 4.2400 4.3127 4.3749 4.8190 4.8233 4.9777 4.9797 5.1282 5.1810 5.2053 5.2294 5.3827 5.3963 6.3016 6.3028 8.2570 8.2611 11.5697 11.5902 11.7249 11.7281 k = 0.0556 0.0962-0.0000 ( 3004 PWs) bands (ev): -11.3126 -11.3126 -10.9637 -10.9627 -0.7399 -0.7321 0.4869 0.4932 0.5048 0.5056 0.6150 0.6196 0.6699 0.6736 0.8579 0.8648 3.9663 3.9735 3.9785 4.0198 4.0633 4.1049 4.2348 4.2403 4.3165 4.3731 4.8384 4.8420 4.9953 4.9974 5.1382 5.2074 5.2096 5.2518 5.3943 5.4056 6.2311 6.2317 8.1968 8.2002 11.6283 11.6511 11.7567 11.7595 k = 0.0494 0.0855-0.0000 ( 3002 PWs) bands (ev): -11.3184 -11.3183 -10.9666 -10.9657 -0.7509 -0.7440 0.5093 0.5150 0.5330 0.5334 0.6182 0.6228 0.6711 0.6746 0.8581 0.8646 3.9740 3.9781 3.9841 4.0188 4.0625 4.1007 4.2368 4.2405 4.3204 4.3711 4.8563 4.8593 5.0117 5.0139 5.1477 5.2096 5.2377 5.2742 5.4054 5.4140 6.1640 6.1642 8.1410 8.1438 11.6845 11.7096 11.7854 11.7881 k = 0.0432 0.0748-0.0000 ( 2998 PWs) bands (ev): -11.3236 -11.3235 -10.9693 -10.9684 -0.7605 -0.7546 0.5291 0.5342 0.5579 0.5579 0.6215 0.6261 0.6726 0.6758 0.8583 0.8643 3.9803 3.9834 3.9893 4.0177 4.0618 4.0964 4.2383 4.2408 4.3245 4.3691 4.8726 4.8749 5.0266 5.0289 5.1568 5.2111 5.2661 5.2964 5.4160 5.4217 6.1002 6.1011 8.0902 8.0924 11.7375 11.7646 11.8110 11.8139 k = 0.0370 0.0642-0.0000 ( 2998 PWs) bands (ev): -11.3280 -11.3280 -10.9715 -10.9708 -0.7689 -0.7639 0.5462 0.5507 0.5786 0.5791 0.6251 0.6297 0.6745 0.6773 0.8586 0.8640 3.9850 3.9898 3.9942 4.0164 4.0611 4.0920 4.2396 4.2411 4.3285 4.3669 4.8871 4.8887 5.0400 5.0424 5.1655 5.2119 5.2940 5.3179 5.4263 5.4288 6.0408 6.0423 8.0448 8.0465 11.7862 11.8129 11.8334 11.8385 k = 0.0309 0.0535-0.0000 ( 3002 PWs) bands (ev): -11.3319 -11.3318 -10.9735 -10.9729 -0.7760 -0.7718 0.5603 0.5642 0.5955 0.5964 0.6292 0.6335 0.6771 0.6793 0.8589 0.8636 3.9889 3.9959 3.9986 4.0149 4.0607 4.0875 4.2405 4.2414 4.3324 4.3645 4.8995 4.9005 5.0517 5.0540 5.1736 5.2122 5.3209 5.3383 5.4354 5.4362 5.9864 5.9885 8.0053 8.0067 11.8289 11.8451 11.8527 11.8698 k = 0.0247 0.0428-0.0000 ( 3002 PWs) bands (ev): -11.3350 -11.3350 -10.9751 -10.9746 -0.7818 -0.7785 0.5714 0.5744 0.6087 0.6097 0.6334 0.6370 0.6804 0.6818 0.8592 0.8632 3.9925 4.0014 4.0024 4.0134 4.0606 4.0830 4.2412 4.2417 4.3363 4.3620 4.9097 4.9103 5.0616 5.0637 5.1811 5.2119 5.3455 5.3567 5.4421 5.4462 5.9380 5.9406 7.9724 7.9734 11.8602 11.8622 11.8730 11.9041 k = 0.0185 0.0321-0.0000 ( 2998 PWs) bands (ev): -11.3375 -11.3374 -10.9763 -10.9760 -0.7862 -0.7837 0.5795 0.5817 0.6189 0.6196 0.6370 0.6394 0.6842 0.6849 0.8596 0.8627 3.9959 4.0056 4.0058 4.0118 4.0611 4.0786 4.2417 4.2419 4.3401 4.3594 4.9178 4.9180 5.0696 5.0714 5.1878 5.2108 5.3664 5.3720 5.4495 5.4558 5.8969 5.8997 7.9463 7.9470 11.8734 11.8742 11.8986 11.9287 k = 0.0123 0.0214-0.0000 ( 3002 PWs) bands (ev): -11.3392 -11.3392 -10.9772 -10.9770 -0.7892 -0.7876 0.5849 0.5863 0.6267 0.6269 0.6390 0.6404 0.6877 0.6880 0.8601 0.8622 3.9990 4.0074 4.0090 4.0106 4.0622 4.0743 4.2421 4.2421 4.3437 4.3566 4.9235 4.9235 5.0755 5.0768 5.1938 5.2091 5.3816 5.3835 5.4575 5.4640 5.8652 5.8676 7.9274 7.9279 11.8806 11.8815 11.9184 11.9398 k = 0.0062 0.0107-0.0000 ( 3009 PWs) bands (ev): -11.3403 -11.3403 -10.9777 -10.9776 -0.7909 -0.7901 0.5880 0.5887 0.6322 0.6323 0.6393 0.6398 0.6902 0.6902 0.8606 0.8617 4.0017 4.0065 4.0108 4.0110 4.0641 4.0704 4.2422 4.2422 4.3471 4.3536 4.9269 4.9269 5.0793 5.0799 5.1989 5.2065 5.3903 5.3906 5.4649 5.4691 5.8452 5.8466 7.9160 7.9162 11.8845 11.8851 11.9307 11.9412 k = 0.0000 0.0000 0.0000 ( 3009 PWs) bands (ev): -11.3406 -11.3406 -10.9779 -10.9779 -0.7912 -0.7912 0.5893 0.5893 0.6349 0.6349 0.6387 0.6387 0.6911 0.6911 0.8612 0.8612 4.0043 4.0043 4.0114 4.0114 4.0669 4.0669 4.2423 4.2423 4.3504 4.3504 4.9280 4.9280 5.0807 5.0807 5.2031 5.2031 5.3931 5.3931 5.4695 5.4695 5.8387 5.8387 7.9123 7.9123 11.8860 11.8860 11.9378 11.9378 k = 0.0000 0.0000 0.0000 ( 3009 PWs) bands (ev): -11.3406 -11.3406 -10.9779 -10.9779 -0.7912 -0.7912 0.5893 0.5893 0.6349 0.6349 0.6387 0.6387 0.6911 0.6911 0.8612 0.8612 4.0043 4.0043 4.0114 4.0114 4.0669 4.0669 4.2423 4.2423 4.3504 4.3504 4.9280 4.9280 5.0807 5.0807 5.2031 5.2031 5.3931 5.3931 5.4695 5.4695 5.8387 5.8387 7.9123 7.9123 11.8860 11.8860 11.9378 11.9378 k = 0.0000 0.0000 0.0122 ( 3009 PWs) bands (ev): -11.3403 -11.3403 -10.9782 -10.9782 -0.7899 -0.7899 0.5893 0.5893 0.6349 0.6349 0.6385 0.6385 0.6910 0.6910 0.8589 0.8589 4.0045 4.0045 4.0117 4.0117 4.0671 4.0671 4.2420 4.2420 4.3510 4.3510 4.9284 4.9284 5.0810 5.0810 5.2003 5.2003 5.3926 5.3926 5.4690 5.4690 5.8445 5.8445 7.9121 7.9121 11.8825 11.8825 11.9378 11.9378 k = 0.0000 0.0000 0.0244 ( 3003 PWs) bands (ev): -11.3393 -11.3393 -10.9794 -10.9794 -0.7862 -0.7862 0.5894 0.5894 0.6350 0.6350 0.6382 0.6382 0.6908 0.6908 0.8523 0.8523 4.0051 4.0051 4.0125 4.0125 4.0678 4.0678 4.2415 4.2415 4.3527 4.3527 4.9297 4.9297 5.0820 5.0820 5.1923 5.1923 5.3912 5.3912 5.4676 5.4676 5.8613 5.8613 7.9114 7.9114 11.8720 11.8720 11.9378 11.9378 k = 0.0000 0.0000 0.0365 ( 3009 PWs) bands (ev): -11.3376 -11.3376 -10.9813 -10.9813 -0.7799 -0.7799 0.5897 0.5897 0.6353 0.6353 0.6375 0.6375 0.6905 0.6905 0.8412 0.8412 4.0059 4.0059 4.0137 4.0137 4.0689 4.0689 4.2404 4.2404 4.3554 4.3554 4.9319 4.9319 5.0834 5.0834 5.1795 5.1795 5.3888 5.3888 5.4652 5.4652 5.8885 5.8885 7.9104 7.9104 11.8548 11.8548 11.9376 11.9376 k = 0.0000 0.0000 0.0487 ( 3009 PWs) bands (ev): -11.3353 -11.3353 -10.9839 -10.9839 -0.7711 -0.7711 0.5900 0.5900 0.6356 0.6356 0.6365 0.6365 0.6900 0.6900 0.8261 0.8261 4.0071 4.0071 4.0154 4.0154 4.0704 4.0704 4.2390 4.2390 4.3594 4.3594 4.9349 4.9349 5.0855 5.0855 5.1632 5.1632 5.3854 5.3854 5.4619 5.4619 5.9248 5.9248 7.9088 7.9088 11.8312 11.8312 11.9369 11.9369 k = 0.0000 0.0000 0.0609 ( 2996 PWs) bands (ev): -11.3323 -11.3323 -10.9873 -10.9873 -0.7599 -0.7599 0.5904 0.5904 0.6350 0.6350 0.6360 0.6360 0.6894 0.6894 0.8071 0.8071 4.0087 4.0087 4.0177 4.0177 4.0723 4.0723 4.2373 4.2373 4.3648 4.3648 4.9388 4.9388 5.0882 5.0882 5.1444 5.1444 5.3812 5.3812 5.4578 5.4578 5.9691 5.9691 7.9066 7.9066 11.8016 11.8016 11.9350 11.9350 k = 0.0000 0.0000 0.0731 ( 2984 PWs) bands (ev): -11.3286 -11.3286 -10.9914 -10.9914 -0.7462 -0.7462 0.5909 0.5909 0.6331 0.6331 0.6365 0.6365 0.6888 0.6888 0.7844 0.7844 4.0106 4.0106 4.0204 4.0204 4.0744 4.0744 4.2351 4.2351 4.3711 4.3711 4.9435 4.9435 5.0915 5.0915 5.1238 5.1238 5.3761 5.3761 5.4530 5.4530 6.0202 6.0202 7.9037 7.9037 11.7665 11.7665 11.9299 11.9299 k = 0.0000 0.0000 0.0853 ( 2984 PWs) bands (ev): -11.3243 -11.3243 -10.9961 -10.9961 -0.7301 -0.7301 0.5915 0.5915 0.6303 0.6303 0.6371 0.6371 0.6879 0.6879 0.7587 0.7587 4.0127 4.0127 4.0235 4.0235 4.0766 4.0766 4.2325 4.2325 4.3786 4.3786 4.9490 4.9490 5.0953 5.0953 5.1020 5.1020 5.3700 5.3700 5.4473 5.4473 6.0771 6.0771 7.8999 7.8999 11.7266 11.7266 11.9167 11.9167 k = 0.0000 0.0000 0.0974 ( 2972 PWs) bands (ev): -11.3194 -11.3194 -11.0016 -11.0016 -0.7116 -0.7116 0.5922 0.5922 0.6259 0.6259 0.6377 0.6377 0.6870 0.6870 0.7309 0.7309 4.0152 4.0152 4.0272 4.0272 4.0790 4.0790 4.2297 4.2297 4.3875 4.3875 4.9553 4.9553 5.0795 5.0795 5.0998 5.0998 5.3631 5.3631 5.4409 5.4409 6.1391 6.1391 7.8952 7.8952 11.6826 11.6826 11.8879 11.8879 k = 0.0000 0.0000 0.1096 ( 2960 PWs) bands (ev): -11.3139 -11.3139 -11.0077 -11.0077 -0.6907 -0.6907 0.5930 0.5930 0.6185 0.6185 0.6385 0.6385 0.6859 0.6859 0.7028 0.7028 4.0180 4.0180 4.0312 4.0312 4.0813 4.0813 4.2264 4.2264 4.3975 4.3975 4.9624 4.9624 5.0568 5.0568 5.1049 5.1049 5.3554 5.3554 5.4337 5.4337 6.2054 6.2054 7.8892 7.8892 11.6351 11.6351 11.8427 11.8427 k = 0.0000 0.0000 0.1218 ( 2960 PWs) bands (ev): -11.3078 -11.3078 -11.0145 -11.0145 -0.6675 -0.6675 0.5938 0.5938 0.6047 0.6047 0.6393 0.6393 0.6780 0.6780 0.6848 0.6848 4.0210 4.0210 4.0356 4.0356 4.0835 4.0835 4.2226 4.2226 4.4088 4.4088 4.9703 4.9703 5.0338 5.0338 5.1105 5.1105 5.3469 5.3469 5.4258 5.4258 6.2754 6.2754 7.8819 7.8819 11.5851 11.5851 11.7876 11.7876 k = 0.0000 0.0000 0.1340 ( 2966 PWs) bands (ev): -11.3012 -11.3012 -11.0218 -11.0218 -0.6421 -0.6421 0.5804 0.5804 0.5948 0.5948 0.6402 0.6402 0.6607 0.6607 0.6835 0.6835 4.0240 4.0240 4.0403 4.0403 4.0856 4.0856 4.2186 4.2186 4.4212 4.4212 4.9789 4.9789 5.0107 5.0107 5.1167 5.1167 5.3375 5.3375 5.4172 5.4172 6.3485 6.3485 7.8728 7.8728 11.5334 11.5334 11.7274 11.7274 k = 0.0000 0.0000 0.1462 ( 2966 PWs) bands (ev): -11.2940 -11.2940 -11.0297 -11.0297 -0.6144 -0.6144 0.5465 0.5465 0.5958 0.5958 0.6412 0.6412 0.6508 0.6508 0.6822 0.6822 4.0274 4.0274 4.0454 4.0454 4.0873 4.0873 4.2142 4.2142 4.4349 4.4349 4.9877 4.9877 4.9882 4.9882 5.1235 5.1235 5.3275 5.3275 5.4081 5.4081 6.4242 6.4242 7.8619 7.8619 11.4808 11.4808 11.6648 11.6648 k = 0.0000 0.0000 0.1583 ( 2978 PWs) bands (ev): -11.2862 -11.2862 -11.0381 -11.0381 -0.5846 -0.5846 0.5063 0.5063 0.5969 0.5969 0.6422 0.6422 0.6448 0.6448 0.6807 0.6807 4.0309 4.0309 4.0508 4.0508 4.0886 4.0886 4.2092 4.2092 4.4497 4.4497 4.9648 4.9648 4.9981 4.9981 5.1309 5.1309 5.3168 5.3168 5.3983 5.3983 6.5019 6.5019 7.8487 7.8487 11.4283 11.4283 11.6013 11.6013 k = 0.0000 0.0000 0.1705 ( 2978 PWs) bands (ev): -11.2780 -11.2780 -11.0470 -11.0470 -0.5528 -0.5528 0.4625 0.4625 0.5981 0.5981 0.6407 0.6407 0.6434 0.6434 0.6792 0.6792 4.0347 4.0347 4.0566 4.0566 4.0898 4.0898 4.2041 4.2041 4.4656 4.4656 4.9419 4.9419 5.0087 5.0087 5.1388 5.1388 5.3055 5.3055 5.3880 5.3880 6.5811 6.5811 7.8329 7.8329 11.3767 11.3767 11.5381 11.5381 k = 0.0000 0.0000 0.1827 ( 2978 PWs) bands (ev): -11.2694 -11.2694 -11.0563 -11.0563 -0.5188 -0.5188 0.4162 0.4162 0.5993 0.5993 0.6375 0.6375 0.6446 0.6446 0.6776 0.6776 4.0385 4.0385 4.0626 4.0626 4.0905 4.0905 4.1987 4.1987 4.4826 4.4826 4.9192 4.9192 5.0199 5.0199 5.1473 5.1473 5.2936 5.2936 5.3773 5.3773 6.6614 6.6614 7.8143 7.8143 11.3268 11.3268 11.4763 11.4763 k = 0.0000 0.0000 0.1949 ( 2978 PWs) bands (ev): -11.2603 -11.2603 -11.0661 -11.0661 -0.4830 -0.4830 0.3681 0.3681 0.6007 0.6007 0.6348 0.6348 0.6459 0.6459 0.6760 0.6760 4.0425 4.0425 4.0689 4.0689 4.0908 4.0908 4.1930 4.1930 4.5006 4.5006 4.8964 4.8964 5.0316 5.0316 5.1563 5.1563 5.2811 5.2811 5.3661 5.3661 6.7423 6.7423 7.7925 7.7925 11.2797 11.2797 11.4168 11.4168 k = 0.0000 0.0000 0.2071 ( 2984 PWs) bands (ev): -11.2508 -11.2508 -11.0762 -11.0762 -0.4453 -0.4453 0.3187 0.3187 0.6021 0.6021 0.6323 0.6323 0.6472 0.6472 0.6743 0.6743 4.0464 4.0464 4.0754 4.0754 4.0908 4.0908 4.1871 4.1871 4.5193 4.5193 4.8736 4.8736 5.0439 5.0439 5.1658 5.1658 5.2682 5.2682 5.3546 5.3546 6.8232 6.8232 7.7671 7.7671 11.2361 11.2361 11.3602 11.3602 k = 0.0000 0.0000 0.2193 ( 2984 PWs) bands (ev): -11.2409 -11.2409 -11.0866 -11.0866 -0.4057 -0.4057 0.2684 0.2684 0.6035 0.6035 0.6300 0.6300 0.6487 0.6487 0.6726 0.6726 4.0504 4.0504 4.0822 4.0822 4.0903 4.0903 4.1809 4.1809 4.5389 4.5389 4.8508 4.8508 5.0566 5.0566 5.1758 5.1758 5.2549 5.2549 5.3427 5.3427 6.9037 6.9037 7.7380 7.7380 11.1967 11.1967 11.3073 11.3073 k = 0.0000 0.0000 0.2314 ( 2990 PWs) bands (ev): -11.2307 -11.2307 -11.0973 -11.0973 -0.3645 -0.3645 0.2175 0.2175 0.6051 0.6051 0.6278 0.6278 0.6501 0.6501 0.6708 0.6708 4.0544 4.0544 4.0891 4.0891 4.0893 4.0893 4.1743 4.1743 4.5592 4.5592 4.8280 4.8280 5.0697 5.0697 5.1862 5.1862 5.2412 5.2412 5.3306 5.3306 6.9832 6.9832 7.7047 7.7047 11.1623 11.1623 11.2588 11.2588 k = 0.0000 0.0000 0.2436 ( 2990 PWs) bands (ev): -11.2202 -11.2202 -11.1082 -11.1082 -0.3217 -0.3217 0.1662 0.1662 0.6067 0.6067 0.6256 0.6256 0.6517 0.6517 0.6690 0.6690 4.0584 4.0584 4.0880 4.0880 4.0962 4.0962 4.1677 4.1677 4.5802 4.5802 4.8052 4.8052 5.0833 5.0833 5.1970 5.1970 5.2272 5.2272 5.3183 5.3183 7.0612 7.0612 7.6672 7.6672 11.1335 11.1335 11.2152 11.2152 k = 0.0000 0.0000 0.2558 ( 2990 PWs) bands (ev): -11.2095 -11.2095 -11.1194 -11.1194 -0.2774 -0.2774 0.1148 0.1148 0.6084 0.6084 0.6235 0.6235 0.6532 0.6532 0.6672 0.6672 4.0623 4.0623 4.0865 4.0865 4.1033 4.1033 4.1610 4.1610 4.6016 4.6016 4.7823 4.7823 5.0971 5.0971 5.2081 5.2081 5.2130 5.2130 5.3059 5.3059 7.1372 7.1372 7.6253 7.6253 11.1109 11.1109 11.1771 11.1771 k = 0.0000 0.0000 0.2680 ( 2990 PWs) bands (ev): -11.1985 -11.1985 -11.1306 -11.1306 -0.2318 -0.2318 0.0635 0.0635 0.6101 0.6101 0.6215 0.6215 0.6549 0.6549 0.6654 0.6654 4.0661 4.0661 4.0844 4.0844 4.1105 4.1105 4.1540 4.1540 4.6235 4.6235 4.7594 4.7594 5.1112 5.1112 5.1985 5.1985 5.2197 5.2197 5.2934 5.2934 7.2109 7.2109 7.5788 7.5788 11.0948 11.0948 11.1451 11.1451 k = 0.0000 0.0000 0.2802 ( 2990 PWs) bands (ev): -11.1874 -11.1874 -11.1420 -11.1420 -0.1849 -0.1849 0.0125 0.0125 0.6119 0.6119 0.6195 0.6195 0.6566 0.6566 0.6636 0.6636 4.0697 4.0697 4.0820 4.0820 4.1178 4.1178 4.1469 4.1469 4.6457 4.6457 4.7366 4.7366 5.1255 5.1255 5.1840 5.1840 5.2315 5.2315 5.2808 5.2808 7.2816 7.2816 7.5278 7.5278 11.0855 11.0855 11.1193 11.1193 k = 0.0000 0.0000 0.2923 ( 2996 PWs) bands (ev): -11.1761 -11.1761 -11.1534 -11.1534 -0.1369 -0.1369 -0.0381 -0.0381 0.6137 0.6137 0.6175 0.6175 0.6583 0.6583 0.6618 0.6618 4.0731 4.0731 4.0793 4.0793 4.1251 4.1251 4.1397 4.1397 4.6681 4.6681 4.7136 4.7136 5.1400 5.1400 5.1693 5.1693 5.2436 5.2436 5.2683 5.2683 7.3490 7.3490 7.4723 7.4723 11.0833 11.0833 11.1003 11.1003 k = 0.0000 0.0000 0.3045 ( 2990 PWs) bands (ev): -11.1647 -11.1647 -11.1647 -11.1647 -0.0879 -0.0879 -0.0879 -0.0879 0.6156 0.6156 0.6156 0.6156 0.6601 0.6601 0.6601 0.6601 4.0764 4.0764 4.0764 4.0764 4.1325 4.1325 4.1325 4.1325 4.6908 4.6908 4.6908 4.6908 5.1547 5.1547 5.1547 5.1547 5.2559 5.2559 5.2559 5.2559 7.4127 7.4127 7.4127 7.4127 11.0883 11.0883 11.0883 11.0883 k = 0.0000 0.0000 0.3045 ( 2990 PWs) bands (ev): -11.1647 -11.1647 -11.1647 -11.1647 -0.0879 -0.0879 -0.0879 -0.0879 0.6156 0.6156 0.6156 0.6156 0.6601 0.6601 0.6601 0.6601 4.0764 4.0764 4.0764 4.0764 4.1325 4.1325 4.1325 4.1325 4.6908 4.6908 4.6908 4.6908 5.1547 5.1547 5.1547 5.1547 5.2559 5.2559 5.2559 5.2559 7.4127 7.4127 7.4127 7.4127 11.0883 11.0883 11.0883 11.0883 k = 0.0106 0.0061 0.3045 ( 2996 PWs) bands (ev): -11.1645 -11.1645 -11.1644 -11.1644 -0.0886 -0.0886 -0.0879 -0.0879 0.6147 0.6147 0.6156 0.6156 0.6597 0.6597 0.6597 0.6597 4.0751 4.0751 4.0774 4.0774 4.1324 4.1324 4.1324 4.1324 4.6898 4.6898 4.6917 4.6917 5.1535 5.1535 5.1535 5.1535 5.2547 5.2547 5.2549 5.2549 7.4161 7.4161 7.4161 7.4161 11.0863 11.0863 11.0865 11.0865 k = 0.0213 0.0123 0.3045 ( 2996 PWs) bands (ev): -11.1637 -11.1637 -11.1636 -11.1636 -0.0899 -0.0899 -0.0885 -0.0885 0.6131 0.6131 0.6148 0.6148 0.6586 0.6586 0.6586 0.6586 4.0736 4.0736 4.0781 4.0781 4.1323 4.1323 4.1324 4.1324 4.6888 4.6888 4.6927 4.6927 5.1497 5.1497 5.1500 5.1500 5.2514 5.2514 5.2516 5.2516 7.4264 7.4264 7.4264 7.4264 11.0806 11.0806 11.0810 11.0810 k = 0.0319 0.0184 0.3045 ( 2996 PWs) bands (ev): -11.1624 -11.1624 -11.1622 -11.1622 -0.0920 -0.0920 -0.0899 -0.0899 0.6105 0.6105 0.6131 0.6131 0.6568 0.6568 0.6569 0.6569 4.0720 4.0720 4.0785 4.0785 4.1322 4.1322 4.1324 4.1324 4.6877 4.6877 4.6935 4.6935 5.1434 5.1434 5.1442 5.1442 5.2462 5.2462 5.2463 5.2463 7.4434 7.4434 7.4434 7.4434 11.0711 11.0711 11.0718 11.0718 k = 0.0426 0.0246 0.3045 ( 2996 PWs) bands (ev): -11.1605 -11.1605 -11.1603 -11.1603 -0.0948 -0.0948 -0.0920 -0.0920 0.6069 0.6069 0.6104 0.6104 0.6547 0.6547 0.6548 0.6548 4.0702 4.0702 4.0786 4.0786 4.1319 4.1319 4.1324 4.1324 4.6866 4.6866 4.6944 4.6944 5.1343 5.1343 5.1361 5.1361 5.2389 5.2389 5.2397 5.2397 7.4668 7.4668 7.4669 7.4669 11.0581 11.0581 11.0590 11.0590 k = 0.0532 0.0307 0.3045 ( 3000 PWs) bands (ev): -11.1581 -11.1581 -11.1578 -11.1578 -0.0985 -0.0985 -0.0950 -0.0950 0.6023 0.6023 0.6066 0.6066 0.6524 0.6524 0.6524 0.6524 4.0682 4.0682 4.0782 4.0782 4.1315 4.1315 4.1324 4.1324 4.6853 4.6853 4.6952 4.6952 5.1224 5.1224 5.1258 5.1258 5.2298 5.2298 5.2319 5.2319 7.4963 7.4963 7.4964 7.4964 11.0416 11.0416 11.0428 11.0428 k = 0.0638 0.0369 0.3045 ( 2998 PWs) bands (ev): -11.1551 -11.1551 -11.1548 -11.1548 -0.1030 -0.1030 -0.0989 -0.0989 0.5967 0.5967 0.6017 0.6017 0.6500 0.6500 0.6501 0.6501 4.0662 4.0662 4.0775 4.0775 4.1310 4.1310 4.1326 4.1326 4.6841 4.6841 4.6959 4.6959 5.1078 5.1078 5.1134 5.1134 5.2194 5.2194 5.2231 5.2231 7.5314 7.5314 7.5316 7.5316 11.0218 11.0218 11.0232 11.0232 k = 0.0745 0.0430 0.3045 ( 2998 PWs) bands (ev): -11.1517 -11.1517 -11.1513 -11.1513 -0.1086 -0.1086 -0.1038 -0.1038 0.5901 0.5901 0.5958 0.5958 0.6477 0.6477 0.6479 0.6479 4.0641 4.0641 4.0764 4.0764 4.1304 4.1304 4.1329 4.1329 4.6826 4.6826 4.6964 4.6964 5.0905 5.0905 5.0987 5.0987 5.2078 5.2078 5.2137 5.2137 7.5717 7.5717 7.5719 7.5719 10.9989 10.9989 11.0006 11.0006 k = 0.0851 0.0491 0.3045 ( 3002 PWs) bands (ev): -11.1477 -11.1477 -11.1473 -11.1473 -0.1153 -0.1153 -0.1099 -0.1099 0.5826 0.5826 0.5889 0.5889 0.6455 0.6455 0.6459 0.6459 4.0619 4.0619 4.0749 4.0749 4.1297 4.1297 4.1333 4.1333 4.6809 4.6809 4.6967 4.6967 5.0709 5.0709 5.0821 5.0821 5.1953 5.1953 5.2036 5.2036 7.6165 7.6165 7.6169 7.6169 10.9732 10.9732 10.9752 10.9752 k = 0.0957 0.0553 0.3045 ( 2998 PWs) bands (ev): -11.1433 -11.1433 -11.1428 -11.1428 -0.1233 -0.1233 -0.1172 -0.1172 0.5746 0.5746 0.5814 0.5814 0.6435 0.6435 0.6442 0.6442 4.0597 4.0597 4.0730 4.0730 4.1289 4.1289 4.1339 4.1339 4.6791 4.6791 4.6969 4.6969 5.0492 5.0492 5.0637 5.0637 5.1822 5.1822 5.1929 5.1929 7.6655 7.6655 7.6660 7.6660 10.9451 10.9451 10.9474 10.9474 k = 0.1064 0.0614 0.3045 ( 3004 PWs) bands (ev): -11.1384 -11.1384 -11.1378 -11.1378 -0.1326 -0.1326 -0.1260 -0.1260 0.5663 0.5663 0.5735 0.5735 0.6416 0.6416 0.6425 0.6425 4.0575 4.0575 4.0706 4.0706 4.1280 4.1280 4.1346 4.1346 4.6769 4.6769 4.6967 4.6967 5.0258 5.0258 5.0437 5.0437 5.1684 5.1684 5.1817 5.1817 7.7178 7.7178 7.7185 7.7185 10.9148 10.9148 10.9174 10.9174 k = 0.1170 0.0676 0.3045 ( 3000 PWs) bands (ev): -11.1331 -11.1331 -11.1325 -11.1325 -0.1435 -0.1435 -0.1363 -0.1363 0.5579 0.5579 0.5655 0.5655 0.6398 0.6398 0.6411 0.6411 4.0553 4.0553 4.0680 4.0680 4.1270 4.1270 4.1355 4.1355 4.6745 4.6745 4.6962 4.6962 5.0011 5.0011 5.0225 5.0225 5.1542 5.1542 5.1700 5.1700 7.7731 7.7731 7.7739 7.7739 10.8828 10.8828 10.8856 10.8856 k = 0.1277 0.0737 0.3045 ( 3008 PWs) bands (ev): -11.1273 -11.1273 -11.1266 -11.1266 -0.1560 -0.1560 -0.1483 -0.1483 0.5498 0.5498 0.5576 0.5576 0.6381 0.6381 0.6397 0.6397 4.0531 4.0531 4.0649 4.0649 4.1259 4.1259 4.1364 4.1364 4.6715 4.6715 4.6952 4.6952 4.9755 4.9755 5.0003 5.0003 5.1396 5.1396 5.1576 5.1576 7.8306 7.8306 7.8317 7.8317 10.8494 10.8494 10.8526 10.8526 k = 0.1383 0.0798 0.3045 ( 3008 PWs) bands (ev): -11.1211 -11.1211 -11.1204 -11.1204 -0.1701 -0.1701 -0.1621 -0.1621 0.5421 0.5421 0.5502 0.5502 0.6366 0.6366 0.6384 0.6384 4.0509 4.0509 4.0615 4.0615 4.1248 4.1248 4.1375 4.1375 4.6681 4.6681 4.6936 4.6936 4.9493 4.9493 4.9774 4.9774 5.1245 5.1245 5.1448 5.1448 7.8898 7.8898 7.8911 7.8911 10.8153 10.8153 10.8188 10.8188 k = 0.1489 0.0860 0.3045 ( 3004 PWs) bands (ev): -11.1146 -11.1146 -11.1138 -11.1138 -0.1861 -0.1861 -0.1777 -0.1777 0.5352 0.5352 0.5435 0.5435 0.6351 0.6351 0.6372 0.6372 4.0489 4.0489 4.0579 4.0579 4.1238 4.1238 4.1388 4.1388 4.6642 4.6642 4.6913 4.6913 4.9230 4.9230 4.9542 4.9542 5.1092 5.1092 5.1314 5.1314 7.9501 7.9501 7.9515 7.9515 10.7808 10.7808 10.7846 10.7846 k = 0.1596 0.0921 0.3045 ( 3008 PWs) bands (ev): -11.1077 -11.1077 -11.1069 -11.1069 -0.2038 -0.2038 -0.1951 -0.1951 0.5292 0.5292 0.5376 0.5376 0.6336 0.6336 0.6360 0.6360 4.0468 4.0468 4.0540 4.0540 4.1226 4.1226 4.1402 4.1402 4.6596 4.6596 4.6880 4.6880 4.8970 4.8970 4.9309 4.9309 5.0935 5.0935 5.1175 5.1175 8.0107 8.0107 8.0124 8.0124 10.7465 10.7465 10.7505 10.7505 k = 0.1702 0.0983 0.3045 ( 3004 PWs) bands (ev): -11.1004 -11.1004 -11.0996 -11.0996 -0.2233 -0.2233 -0.2144 -0.2144 0.5243 0.5243 0.5327 0.5327 0.6322 0.6322 0.6348 0.6348 4.0449 4.0449 4.0499 4.0499 4.1215 4.1215 4.1418 4.1418 4.6543 4.6543 4.6835 4.6835 4.8717 4.8717 4.9078 4.9078 5.0775 5.0775 5.1032 5.1032 8.0712 8.0712 8.0731 8.0731 10.7127 10.7127 10.7171 10.7171 k = 0.1809 0.1044 0.3045 ( 3008 PWs) bands (ev): -11.0929 -11.0929 -11.0921 -11.0921 -0.2445 -0.2445 -0.2355 -0.2355 0.5206 0.5206 0.5290 0.5290 0.6308 0.6308 0.6336 0.6336 4.0431 4.0431 4.0456 4.0456 4.1205 4.1205 4.1434 4.1434 4.6481 4.6481 4.6773 4.6773 4.8477 4.8477 4.8852 4.8852 5.0612 5.0612 5.0882 5.0882 8.1309 8.1309 8.1330 8.1330 10.6801 10.6801 10.6847 10.6847 k = 0.1915 0.1106 0.3045 ( 3012 PWs) bands (ev): -11.0851 -11.0851 -11.0843 -11.0843 -0.2674 -0.2674 -0.2583 -0.2583 0.5181 0.5181 0.5264 0.5264 0.6294 0.6294 0.6325 0.6325 4.0411 4.0411 4.0414 4.0414 4.1194 4.1194 4.1452 4.1452 4.6409 4.6409 4.6691 4.6691 4.8254 4.8254 4.8632 4.8632 5.0448 5.0448 5.0730 5.0730 8.1892 8.1892 8.1915 8.1915 10.6489 10.6489 10.6538 10.6538 k = 0.2021 0.1167 0.3045 ( 3020 PWs) bands (ev): -11.0771 -11.0771 -11.0762 -11.0762 -0.2918 -0.2918 -0.2827 -0.2827 0.5168 0.5168 0.5249 0.5249 0.6281 0.6281 0.6313 0.6313 4.0365 4.0365 4.0398 4.0398 4.1184 4.1184 4.1470 4.1470 4.6327 4.6327 4.6585 4.6585 4.8054 4.8054 4.8421 4.8421 5.0282 5.0282 5.0573 5.0573 8.2456 8.2456 8.2480 8.2480 10.6197 10.6197 10.6249 10.6249 k = 0.2128 0.1228 0.3045 ( 3016 PWs) bands (ev): -11.0689 -11.0689 -11.0680 -11.0680 -0.3175 -0.3175 -0.3085 -0.3085 0.5167 0.5167 0.5246 0.5246 0.6268 0.6268 0.6302 0.6302 4.0319 4.0319 4.0383 4.0383 4.1176 4.1176 4.1491 4.1491 4.6233 4.6233 4.6452 4.6452 4.7882 4.7882 4.8220 4.8220 5.0115 5.0115 5.0414 5.0414 8.2995 8.2995 8.3020 8.3020 10.5927 10.5927 10.5982 10.5982 k = 0.2234 0.1290 0.3045 ( 3022 PWs) bands (ev): -11.0605 -11.0605 -11.0596 -11.0596 -0.3444 -0.3444 -0.3356 -0.3356 0.5177 0.5177 0.5254 0.5254 0.6256 0.6256 0.6291 0.6291 4.0272 4.0272 4.0370 4.0370 4.1168 4.1168 4.1512 4.1512 4.6127 4.6127 4.6291 4.6291 4.7738 4.7738 4.8032 4.8032 4.9948 4.9948 5.0252 5.0252 8.3503 8.3503 8.3530 8.3530 10.5684 10.5684 10.5741 10.5741 k = 0.2340 0.1351 0.3045 ( 3014 PWs) bands (ev): -11.0520 -11.0520 -11.0511 -11.0511 -0.3723 -0.3723 -0.3636 -0.3636 0.5198 0.5198 0.5272 0.5272 0.6244 0.6244 0.6280 0.6280 4.0226 4.0226 4.0360 4.0360 4.1162 4.1162 4.1536 4.1536 4.6010 4.6010 4.6106 4.6106 4.7620 4.7620 4.7857 4.7857 4.9782 4.9782 5.0088 5.0088 8.3978 8.3978 8.4006 8.4006 10.5468 10.5468 10.5528 10.5528 k = 0.2447 0.1413 0.3045 ( 3018 PWs) bands (ev): -11.0434 -11.0434 -11.0425 -11.0425 -0.4009 -0.4009 -0.3925 -0.3925 0.5228 0.5228 0.5299 0.5299 0.6233 0.6233 0.6271 0.6271 4.0180 4.0180 4.0350 4.0350 4.1157 4.1157 4.1561 4.1561 4.5879 4.5879 4.5903 4.5903 4.7522 4.7522 4.7694 4.7694 4.9616 4.9616 4.9922 4.9922 8.4415 8.4415 8.4443 8.4443 10.5282 10.5282 10.5344 10.5344 k = 0.2553 0.1474 0.3045 ( 3006 PWs) bands (ev): -11.0348 -11.0348 -11.0339 -11.0339 -0.4301 -0.4301 -0.4219 -0.4219 0.5267 0.5267 0.5334 0.5334 0.6224 0.6224 0.6262 0.6262 4.0135 4.0135 4.0343 4.0343 4.1156 4.1156 4.1588 4.1588 4.5688 4.5688 4.5739 4.5739 4.7440 4.7440 4.7544 4.7544 4.9453 4.9453 4.9756 4.9756 8.4811 8.4811 8.4840 8.4840 10.5126 10.5126 10.5191 10.5191 k = 0.2660 0.1536 0.3045 ( 3006 PWs) bands (ev): -11.0262 -11.0262 -11.0252 -11.0252 -0.4597 -0.4597 -0.4518 -0.4518 0.5312 0.5312 0.5376 0.5376 0.6216 0.6216 0.6254 0.6254 4.0091 4.0091 4.0338 4.0338 4.1155 4.1155 4.1616 4.1616 4.5465 4.5465 4.5588 4.5588 4.7369 4.7369 4.7406 4.7406 4.9291 4.9291 4.9590 4.9590 8.5165 8.5165 8.5193 8.5193 10.5000 10.5000 10.5068 10.5068 k = 0.2766 0.1597 0.3045 ( 3004 PWs) bands (ev): -11.0175 -11.0175 -11.0166 -11.0166 -0.4894 -0.4894 -0.4818 -0.4818 0.5362 0.5362 0.5423 0.5423 0.6209 0.6209 0.6248 0.6248 4.0050 4.0050 4.0334 4.0334 4.1156 4.1156 4.1644 4.1644 4.5240 4.5240 4.5430 4.5430 4.7278 4.7278 4.7305 4.7305 4.9133 4.9133 4.9423 4.9423 8.5476 8.5476 8.5504 8.5504 10.4904 10.4904 10.4973 10.4973 k = 0.2872 0.1658 0.3045 ( 3012 PWs) bands (ev): -11.0090 -11.0090 -11.0081 -11.0081 -0.5191 -0.5191 -0.5118 -0.5118 0.5416 0.5416 0.5473 0.5473 0.6204 0.6204 0.6243 0.6243 4.0010 4.0010 4.0332 4.0332 4.1160 4.1160 4.1674 4.1674 4.5014 4.5014 4.5264 4.5264 4.7158 4.7158 4.7246 4.7246 4.8977 4.8977 4.9257 4.9257 8.5744 8.5744 8.5771 8.5771 10.4834 10.4834 10.4905 10.4905 k = 0.2979 0.1720 0.3045 ( 3020 PWs) bands (ev): -11.0005 -11.0005 -10.9996 -10.9996 -0.5486 -0.5486 -0.5416 -0.5416 0.5472 0.5472 0.5525 0.5525 0.6202 0.6202 0.6241 0.6241 3.9972 3.9972 4.0332 4.0332 4.1165 4.1165 4.1705 4.1705 4.4791 4.4791 4.5095 4.5095 4.7046 4.7046 4.7189 4.7189 4.8826 4.8826 4.9092 4.9092 8.5970 8.5970 8.5996 8.5996 10.4788 10.4788 10.4861 10.4861 k = 0.3085 0.1781 0.3045 ( 3014 PWs) bands (ev): -10.9922 -10.9922 -10.9913 -10.9913 -0.5775 -0.5775 -0.5709 -0.5709 0.5529 0.5529 0.5578 0.5578 0.6204 0.6204 0.6243 0.6243 3.9939 3.9939 4.0335 4.0335 4.1174 4.1174 4.1737 4.1737 4.4575 4.4575 4.4924 4.4924 4.6941 4.6941 4.7134 4.7134 4.8680 4.8680 4.8931 4.8931 8.6158 8.6158 8.6182 8.6182 10.4764 10.4764 10.4837 10.4837 k = 0.3191 0.1843 0.3045 ( 3030 PWs) bands (ev): -10.9841 -10.9841 -10.9833 -10.9833 -0.6060 -0.6060 -0.5997 -0.5997 0.5584 0.5584 0.5629 0.5629 0.6210 0.6210 0.6249 0.6249 3.9908 3.9908 4.0339 4.0339 4.1184 4.1184 4.1769 4.1769 4.4363 4.4363 4.4750 4.4750 4.6840 4.6840 4.7078 4.7078 4.8539 4.8539 4.8772 4.8772 8.6309 8.6309 8.6332 8.6332 10.4758 10.4758 10.4831 10.4831 k = 0.3298 0.1904 0.3045 ( 3026 PWs) bands (ev): -10.9762 -10.9762 -10.9754 -10.9754 -0.6336 -0.6336 -0.6276 -0.6276 0.5635 0.5635 0.5677 0.5677 0.6221 0.6221 0.6259 0.6259 3.9882 3.9882 4.0345 4.0345 4.1198 4.1198 4.1803 4.1803 4.4159 4.4159 4.4578 4.4578 4.6745 4.6745 4.7024 4.7024 4.8405 4.8405 4.8617 4.8617 8.6427 8.6427 8.6449 8.6449 10.4766 10.4766 10.4839 10.4839 k = 0.3404 0.1965 0.3045 ( 3028 PWs) bands (ev): -10.9686 -10.9686 -10.9678 -10.9678 -0.6602 -0.6602 -0.6547 -0.6547 0.5682 0.5682 0.5720 0.5720 0.6239 0.6239 0.6276 0.6276 3.9861 3.9861 4.0352 4.0352 4.1214 4.1214 4.1836 4.1836 4.3965 4.3965 4.4406 4.4406 4.6654 4.6654 4.6968 4.6968 4.8277 4.8277 4.8467 4.8467 8.6516 8.6516 8.6536 8.6536 10.4786 10.4786 10.4858 10.4858 k = 0.3511 0.2027 0.3045 ( 3026 PWs) bands (ev): -10.9612 -10.9612 -10.9605 -10.9605 -0.6859 -0.6859 -0.6806 -0.6806 0.5721 0.5721 0.5756 0.5756 0.6263 0.6263 0.6299 0.6299 3.9845 3.9845 4.0360 4.0360 4.1233 4.1233 4.1869 4.1869 4.3780 4.3780 4.4236 4.4236 4.6567 4.6567 4.6911 4.6911 4.8155 4.8155 4.8323 4.8323 8.6580 8.6580 8.6598 8.6598 10.4813 10.4813 10.4883 10.4883 k = 0.3617 0.2088 0.3045 ( 3030 PWs) bands (ev): -10.9542 -10.9542 -10.9535 -10.9535 -0.7103 -0.7103 -0.7054 -0.7054 0.5754 0.5754 0.5785 0.5785 0.6294 0.6294 0.6328 0.6328 3.9833 3.9833 4.0369 4.0369 4.1255 4.1255 4.1900 4.1900 4.3606 4.3606 4.4070 4.4070 4.6485 4.6485 4.6853 4.6853 4.8041 4.8041 4.8186 4.8186 8.6623 8.6623 8.6639 8.6639 10.4846 10.4846 10.4913 10.4913 k = 0.3723 0.2150 0.3045 ( 3030 PWs) bands (ev): -10.9476 -10.9476 -10.9469 -10.9469 -0.7333 -0.7333 -0.7288 -0.7288 0.5779 0.5779 0.5808 0.5808 0.6330 0.6330 0.6363 0.6363 3.9827 3.9827 4.0378 4.0378 4.1278 4.1278 4.1931 4.1931 4.3444 4.3444 4.3906 4.3906 4.6408 4.6408 4.6793 4.6793 4.7935 4.7935 4.8056 4.8056 8.6648 8.6648 8.6662 8.6662 10.4881 10.4881 10.4945 10.4945 k = 0.3830 0.2211 0.3045 ( 3030 PWs) bands (ev): -10.9413 -10.9413 -10.9407 -10.9407 -0.7549 -0.7549 -0.7508 -0.7508 0.5798 0.5798 0.5824 0.5824 0.6371 0.6371 0.6401 0.6401 3.9827 3.9827 4.0386 4.0386 4.1305 4.1305 4.1960 4.1960 4.3295 4.3295 4.3747 4.3747 4.6336 4.6336 4.6732 4.6732 4.7836 4.7836 4.7935 4.7935 8.6658 8.6658 8.6671 8.6671 10.4917 10.4917 10.4978 10.4978 k = 0.3936 0.2273 0.3045 ( 3026 PWs) bands (ev): -10.9355 -10.9355 -10.9349 -10.9349 -0.7750 -0.7750 -0.7713 -0.7713 0.5812 0.5812 0.5835 0.5835 0.6415 0.6415 0.6442 0.6442 3.9833 3.9833 4.0392 4.0392 4.1335 4.1335 4.1985 4.1985 4.3160 4.3160 4.3594 4.3594 4.6270 4.6270 4.6669 4.6669 4.7746 4.7746 4.7823 4.7823 8.6658 8.6658 8.6670 8.6670 10.4952 10.4952 10.5009 10.5009 k = 0.4043 0.2334 0.3045 ( 3026 PWs) bands (ev): -10.9301 -10.9301 -10.9296 -10.9296 -0.7934 -0.7934 -0.7900 -0.7900 0.5821 0.5821 0.5843 0.5843 0.6458 0.6458 0.6483 0.6483 3.9845 3.9845 4.0395 4.0395 4.1368 4.1368 4.2007 4.2007 4.3039 4.3039 4.3446 4.3446 4.6211 4.6211 4.6604 4.6604 4.7664 4.7664 4.7722 4.7722 8.6650 8.6650 8.6660 8.6660 10.4985 10.4985 10.5038 10.5038 k = 0.4149 0.2395 0.3045 ( 3026 PWs) bands (ev): -10.9252 -10.9252 -10.9247 -10.9247 -0.8101 -0.8101 -0.8071 -0.8071 0.5827 0.5827 0.5847 0.5847 0.6502 0.6502 0.6524 0.6524 3.9862 3.9862 4.0393 4.0393 4.1405 4.1405 4.2024 4.2024 4.2933 4.2933 4.3306 4.3306 4.6160 4.6160 4.6538 4.6538 4.7590 4.7590 4.7632 4.7632 8.6636 8.6636 8.6645 8.6645 10.5016 10.5016 10.5064 10.5064 k = 0.4255 0.2457 0.3045 ( 3026 PWs) bands (ev): -10.9209 -10.9209 -10.9204 -10.9204 -0.8250 -0.8250 -0.8224 -0.8224 0.5832 0.5832 0.5849 0.5849 0.6542 0.6542 0.6562 0.6562 3.9885 3.9885 4.0385 4.0385 4.1446 4.1446 4.2036 4.2036 4.2843 4.2843 4.3174 4.3174 4.6117 4.6117 4.6472 4.6472 4.7524 4.7524 4.7553 4.7553 8.6619 8.6619 8.6627 8.6627 10.5044 10.5044 10.5086 10.5086 k = 0.4362 0.2518 0.3045 ( 3014 PWs) bands (ev): -10.9170 -10.9170 -10.9166 -10.9166 -0.8380 -0.8380 -0.8357 -0.8357 0.5835 0.5835 0.5849 0.5849 0.6580 0.6580 0.6596 0.6596 3.9914 3.9914 4.0372 4.0372 4.1492 4.1492 4.2040 4.2040 4.2771 4.2771 4.3053 4.3053 4.6083 4.6083 4.6406 4.6406 4.7468 4.7468 4.7486 4.7486 8.6601 8.6601 8.6607 8.6607 10.5068 10.5068 10.5105 10.5105 k = 0.4468 0.2580 0.3045 ( 3018 PWs) bands (ev): -10.9137 -10.9137 -10.9134 -10.9134 -0.8491 -0.8491 -0.8472 -0.8472 0.5837 0.5837 0.5849 0.5849 0.6613 0.6613 0.6627 0.6627 3.9947 3.9947 4.0351 4.0351 4.1542 4.1542 4.2034 4.2034 4.2712 4.2712 4.2943 4.2943 4.6059 4.6059 4.6341 4.6341 4.7419 4.7419 4.7430 4.7430 8.6583 8.6583 8.6588 8.6588 10.5089 10.5089 10.5120 10.5120 k = 0.4574 0.2641 0.3045 ( 3022 PWs) bands (ev): -10.9110 -10.9110 -10.9108 -10.9108 -0.8582 -0.8582 -0.8567 -0.8567 0.5838 0.5838 0.5848 0.5848 0.6641 0.6641 0.6652 0.6652 3.9985 3.9985 4.0323 4.0323 4.1597 4.1597 4.2018 4.2018 4.2668 4.2668 4.2847 4.2847 4.6044 4.6044 4.6280 4.6280 4.7379 4.7379 4.7384 4.7384 8.6567 8.6567 8.6571 8.6571 10.5107 10.5107 10.5132 10.5132 k = 0.4681 0.2702 0.3045 ( 3030 PWs) bands (ev): -10.9089 -10.9089 -10.9087 -10.9087 -0.8653 -0.8653 -0.8641 -0.8641 0.5839 0.5839 0.5846 0.5846 0.6664 0.6664 0.6672 0.6672 4.0026 4.0026 4.0289 4.0289 4.1655 4.1655 4.1990 4.1990 4.2638 4.2638 4.2768 4.2768 4.6040 4.6040 4.6222 4.6222 4.7347 4.7347 4.7350 4.7350 8.6554 8.6554 8.6557 8.6557 10.5121 10.5121 10.5140 10.5140 k = 0.4787 0.2764 0.3045 ( 3030 PWs) bands (ev): -10.9073 -10.9073 -10.9072 -10.9072 -0.8703 -0.8703 -0.8695 -0.8695 0.5840 0.5840 0.5845 0.5845 0.6681 0.6681 0.6686 0.6686 4.0070 4.0070 4.0250 4.0250 4.1718 4.1718 4.1950 4.1950 4.2623 4.2623 4.2706 4.2706 4.6047 4.6047 4.6171 4.6171 4.7325 4.7325 4.7325 4.7325 8.6543 8.6543 8.6545 8.6545 10.5132 10.5132 10.5145 10.5145 k = 0.4894 0.2825 0.3045 ( 3012 PWs) bands (ev): -10.9064 -10.9064 -10.9063 -10.9063 -0.8732 -0.8732 -0.8728 -0.8728 0.5841 0.5841 0.5844 0.5844 0.6692 0.6692 0.6695 0.6695 4.0117 4.0117 4.0208 4.0208 4.1782 4.1782 4.1902 4.1902 4.2622 4.2622 4.2663 4.2663 4.6065 4.6065 4.6128 4.6128 4.7312 4.7312 4.7312 4.7312 8.6537 8.6537 8.6538 8.6538 10.5140 10.5140 10.5146 10.5146 k = 0.5000 0.2887 0.3045 ( 3016 PWs) bands (ev): -10.9060 -10.9060 -10.9060 -10.9060 -0.8741 -0.8741 -0.8741 -0.8741 0.5842 0.5842 0.5842 0.5842 0.6696 0.6696 0.6696 0.6696 4.0163 4.0163 4.0163 4.0163 4.1844 4.1844 4.1844 4.1844 4.2635 4.2635 4.2635 4.2635 4.6092 4.6092 4.6092 4.6092 4.7307 4.7307 4.7307 4.7307 8.6536 8.6536 8.6536 8.6536 10.5145 10.5145 10.5145 10.5145 k = 0.5000 0.2887 0.3045 ( 3016 PWs) bands (ev): -10.9060 -10.9060 -10.9060 -10.9060 -0.8741 -0.8741 -0.8741 -0.8741 0.5842 0.5842 0.5842 0.5842 0.6696 0.6696 0.6696 0.6696 4.0163 4.0163 4.0163 4.0163 4.1844 4.1844 4.1844 4.1844 4.2635 4.2635 4.2635 4.2635 4.6092 4.6092 4.6092 4.6092 4.7307 4.7307 4.7307 4.7307 8.6536 8.6536 8.6536 8.6536 10.5145 10.5145 10.5145 10.5145 k = 0.4938 0.2994 0.3045 ( 3012 PWs) bands (ev): -10.9060 -10.9060 -10.9059 -10.9059 -0.8740 -0.8740 -0.8729 -0.8729 0.5759 0.5759 0.5851 0.5851 0.6678 0.6678 0.6764 0.6764 4.0103 4.0103 4.0220 4.0220 4.1784 4.1784 4.1904 4.1904 4.2586 4.2586 4.2682 4.2682 4.6010 4.6010 4.6166 4.6166 4.7211 4.7211 4.7399 4.7399 8.6562 8.6562 8.6575 8.6575 10.5151 10.5151 10.5164 10.5164 k = 0.4877 0.3101 0.3045 ( 3020 PWs) bands (ev): -10.9058 -10.9058 -10.9055 -10.9055 -0.8727 -0.8727 -0.8703 -0.8703 0.5623 0.5623 0.5778 0.5778 0.6713 0.6713 0.6859 0.6859 4.0039 4.0039 4.0274 4.0274 4.1725 4.1725 4.1964 4.1964 4.2533 4.2533 4.2725 4.2725 4.5921 4.5921 4.6230 4.6230 4.7113 4.7113 4.7483 4.7483 8.6653 8.6653 8.6680 8.6680 10.5183 10.5183 10.5210 10.5210 k = 0.4815 0.3208 0.3045 ( 3032 PWs) bands (ev): -10.9054 -10.9054 -10.9050 -10.9050 -0.8701 -0.8701 -0.8666 -0.8666 0.5452 0.5452 0.5643 0.5643 0.6786 0.6786 0.6964 0.6964 3.9972 3.9972 4.0326 4.0326 4.1667 4.1667 4.2022 4.2022 4.2477 4.2477 4.2766 4.2766 4.5828 4.5828 4.6279 4.6279 4.7017 4.7017 4.7559 4.7559 8.6807 8.6807 8.6847 8.6847 10.5240 10.5240 10.5282 10.5282 k = 0.4753 0.3314 0.3045 ( 3020 PWs) bands (ev): -10.9048 -10.9048 -10.9042 -10.9042 -0.8662 -0.8662 -0.8615 -0.8615 0.5255 0.5255 0.5467 0.5467 0.6876 0.6876 0.7069 0.7069 3.9901 3.9901 4.0378 4.0378 4.1613 4.1613 4.2080 4.2080 4.2420 4.2420 4.2806 4.2806 4.5732 4.5732 4.6311 4.6311 4.6932 4.6932 4.7627 4.7627 8.7023 8.7023 8.7076 8.7076 10.5324 10.5324 10.5379 10.5379 k = 0.4691 0.3421 0.3045 ( 3024 PWs) bands (ev): -10.9040 -10.9040 -10.9033 -10.9033 -0.8611 -0.8611 -0.8552 -0.8552 0.5037 0.5037 0.5262 0.5262 0.6970 0.6970 0.7171 0.7171 3.9824 3.9824 4.0428 4.0428 4.1561 4.1561 4.2134 4.2134 4.2360 4.2360 4.2844 4.2844 4.5633 4.5633 4.6315 4.6315 4.6864 4.6864 4.7685 4.7685 8.7297 8.7297 8.7362 8.7362 10.5432 10.5432 10.5501 10.5501 k = 0.4630 0.3528 0.3045 ( 3016 PWs) bands (ev): -10.9030 -10.9030 -10.9022 -10.9022 -0.8548 -0.8548 -0.8477 -0.8477 0.4801 0.4801 0.5036 0.5036 0.7064 0.7064 0.7268 0.7268 3.9742 3.9742 4.0477 4.0477 4.1512 4.1512 4.2181 4.2181 4.2304 4.2304 4.2881 4.2881 4.5534 4.5534 4.6286 4.6286 4.6822 4.6822 4.7734 4.7734 8.7624 8.7624 8.7701 8.7701 10.5564 10.5564 10.5649 10.5649 k = 0.4568 0.3635 0.3045 ( 3018 PWs) bands (ev): -10.9019 -10.9019 -10.9010 -10.9010 -0.8474 -0.8474 -0.8390 -0.8390 0.4548 0.4548 0.4791 0.4791 0.7154 0.7154 0.7359 0.7359 3.9655 3.9655 4.0525 4.0525 4.1466 4.1466 4.2190 4.2190 4.2282 4.2282 4.2916 4.2916 4.5435 4.5435 4.6225 4.6225 4.6805 4.6805 4.7772 4.7772 8.8000 8.8000 8.8088 8.8088 10.5721 10.5721 10.5820 10.5820 k = 0.4506 0.3742 0.3045 ( 3022 PWs) bands (ev): -10.9007 -10.9007 -10.8996 -10.8996 -0.8389 -0.8389 -0.8291 -0.8291 0.4282 0.4282 0.4531 0.4531 0.7240 0.7240 0.7444 0.7444 3.9563 3.9563 4.0571 4.0571 4.1423 4.1423 4.2140 4.2140 4.2316 4.2316 4.2951 4.2951 4.5337 4.5337 4.6141 4.6141 4.6806 4.6806 4.7802 4.7802 8.8420 8.8420 8.8518 8.8518 10.5900 10.5900 10.6015 10.6015 k = 0.4444 0.3849 0.3045 ( 3022 PWs) bands (ev): -10.8993 -10.8993 -10.8981 -10.8981 -0.8294 -0.8294 -0.8182 -0.8182 0.4002 0.4002 0.4257 0.4258 0.7322 0.7322 0.7524 0.7524 3.9467 3.9467 4.0615 4.0615 4.1381 4.1381 4.2077 4.2077 4.2361 4.2361 4.2985 4.2985 4.5242 4.5242 4.6045 4.6045 4.6815 4.6815 4.7822 4.7822 8.8876 8.8876 8.8984 8.8984 10.6101 10.6101 10.6233 10.6233 k = 0.4383 0.3956 0.3045 ( 3022 PWs) bands (ev): -10.8978 -10.8978 -10.8965 -10.8965 -0.8189 -0.8189 -0.8063 -0.8063 0.3712 0.3712 0.3974 0.3974 0.7398 0.7398 0.7597 0.7597 3.9368 3.9368 4.0657 4.0657 4.1341 4.1341 4.2016 4.2016 4.2406 4.2406 4.3019 4.3019 4.5151 4.5151 4.5944 4.5944 4.6828 4.6828 4.7834 4.7834 8.9363 8.9363 8.9480 8.9480 10.6322 10.6322 10.6471 10.6471 k = 0.4321 0.4063 0.3045 ( 3018 PWs) bands (ev): -10.8961 -10.8961 -10.8947 -10.8947 -0.8075 -0.8075 -0.7934 -0.7934 0.3412 0.3412 0.3681 0.3681 0.7469 0.7469 0.7666 0.7666 3.9266 3.9266 4.0696 4.0696 4.1299 4.1299 4.1960 4.1960 4.2448 4.2448 4.3053 4.3053 4.5064 4.5064 4.5842 4.5842 4.6841 4.6841 4.7838 4.7838 8.9872 8.9872 8.9998 8.9998 10.6563 10.6563 10.6728 10.6728 k = 0.4259 0.4170 0.3045 ( 3026 PWs) bands (ev): -10.8944 -10.8944 -10.8929 -10.8929 -0.7954 -0.7954 -0.7797 -0.7797 0.3104 0.3104 0.3381 0.3381 0.7536 0.7536 0.7730 0.7730 3.9161 3.9161 4.0730 4.0730 4.1255 4.1255 4.1912 4.1912 4.2488 4.2488 4.3086 4.3086 4.4982 4.4982 4.5740 4.5740 4.6852 4.6852 4.7834 4.7834 9.0398 9.0398 9.0532 9.0532 10.6820 10.6820 10.7003 10.7003 k = 0.4198 0.4277 0.3045 ( 3026 PWs) bands (ev): -10.8927 -10.8927 -10.8911 -10.8911 -0.7826 -0.7826 -0.7653 -0.7653 0.2791 0.2791 0.3078 0.3078 0.7599 0.7599 0.7789 0.7789 3.9057 3.9057 4.0758 4.0758 4.1208 4.1208 4.1878 4.1878 4.2525 4.2525 4.3120 4.3120 4.4906 4.4906 4.5642 4.5642 4.6860 4.6860 4.7824 4.7824 9.0932 9.0932 9.1074 9.1074 10.7092 10.7092 10.7293 10.7293 k = 0.4136 0.4384 0.3045 ( 3026 PWs) bands (ev): -10.8909 -10.8909 -10.8892 -10.8892 -0.7693 -0.7693 -0.7502 -0.7502 0.2476 0.2476 0.2773 0.2773 0.7657 0.7657 0.7844 0.7844 3.8954 3.8954 4.0779 4.0779 4.1159 4.1159 4.1857 4.1857 4.2558 4.2558 4.3154 4.3154 4.4835 4.4835 4.5548 4.5548 4.6866 4.6866 4.7808 4.7808 9.1467 9.1467 9.1616 9.1616 10.7376 10.7376 10.7595 10.7595 k = 0.4074 0.4491 0.3045 ( 3026 PWs) bands (ev): -10.8890 -10.8890 -10.8872 -10.8872 -0.7556 -0.7556 -0.7347 -0.7347 0.2160 0.2160 0.2470 0.2470 0.7711 0.7711 0.7895 0.7895 3.8853 3.8853 4.0788 4.0788 4.1111 4.1111 4.1852 4.1852 4.2588 4.2588 4.3187 4.3187 4.4771 4.4771 4.5458 4.5458 4.6868 4.6868 4.7787 4.7787 9.1995 9.1995 9.2152 9.2152 10.7670 10.7670 10.7907 10.7907 k = 0.4012 0.4597 0.3045 ( 3030 PWs) bands (ev): -10.8872 -10.8872 -10.8853 -10.8853 -0.7418 -0.7418 -0.7188 -0.7188 0.1847 0.1847 0.2170 0.2170 0.7761 0.7761 0.7941 0.7941 3.8755 3.8755 4.0782 4.0782 4.1070 4.1070 4.1859 4.1859 4.2614 4.2614 4.3218 4.3218 4.4712 4.4712 4.5374 4.5374 4.6868 4.6868 4.7761 4.7761 9.2510 9.2510 9.2672 9.2672 10.7971 10.7971 10.8225 10.8225 k = 0.3951 0.4704 0.3045 ( 3034 PWs) bands (ev): -10.8854 -10.8854 -10.8835 -10.8835 -0.7279 -0.7279 -0.7029 -0.7029 0.1541 0.1541 0.1879 0.1879 0.7807 0.7807 0.7984 0.7984 3.8661 3.8661 4.0758 4.0758 4.1041 4.1041 4.1877 4.1877 4.2637 4.2637 4.3249 4.3249 4.4661 4.4661 4.5294 4.5294 4.6866 4.6866 4.7733 4.7733 9.3003 9.3003 9.3172 9.3172 10.8276 10.8276 10.8547 10.8547 k = 0.3889 0.4811 0.3045 ( 3038 PWs) bands (ev): -10.8836 -10.8836 -10.8816 -10.8816 -0.7142 -0.7142 -0.6870 -0.6870 0.1245 0.1245 0.1599 0.1599 0.7848 0.7848 0.8024 0.8024 3.8573 3.8573 4.0717 4.0717 4.1026 4.1026 4.1905 4.1905 4.2656 4.2656 4.3276 4.3276 4.4616 4.4616 4.5220 4.5220 4.6861 4.6861 4.7702 4.7702 9.3469 9.3469 9.3643 9.3643 10.8582 10.8582 10.8869 10.8869 k = 0.3827 0.4918 0.3045 ( 3048 PWs) bands (ev): -10.8820 -10.8820 -10.8799 -10.8799 -0.7010 -0.7010 -0.6716 -0.6716 0.0962 0.0962 0.1334 0.1334 0.7886 0.7886 0.8059 0.8059 3.8491 3.8491 4.0666 4.0666 4.1019 4.1019 4.1940 4.1940 4.2671 4.2671 4.3300 4.3300 4.4578 4.4578 4.5151 4.5151 4.6854 4.6854 4.7670 4.7670 9.3900 9.3900 9.4079 9.4079 10.8888 10.8888 10.9190 10.9190 k = 0.3765 0.5025 0.3045 ( 3046 PWs) bands (ev): -10.8804 -10.8804 -10.8783 -10.8783 -0.6885 -0.6885 -0.6568 -0.6568 0.0698 0.0698 0.1088 0.1088 0.7920 0.7920 0.8091 0.8091 3.8418 3.8418 4.0612 4.0612 4.1017 4.1017 4.1980 4.1980 4.2685 4.2685 4.3320 4.3320 4.4548 4.4548 4.5089 4.5089 4.6847 4.6847 4.7639 4.7639 9.4292 9.4292 9.4474 9.4474 10.9192 10.9192 10.9506 10.9506 k = 0.3704 0.5132 0.3045 ( 3046 PWs) bands (ev): -10.8790 -10.8790 -10.8768 -10.8768 -0.6770 -0.6770 -0.6431 -0.6431 0.0456 0.0456 0.0865 0.0865 0.7950 0.7950 0.8119 0.8119 3.8352 3.8352 4.0559 4.0559 4.1018 4.1018 4.2021 4.2021 4.2696 4.2696 4.3334 4.3334 4.4526 4.4526 4.5032 4.5032 4.6839 4.6839 4.7608 4.7608 9.4638 9.4638 9.4824 9.4824 10.9492 10.9492 10.9817 10.9817 k = 0.3642 0.5239 0.3045 ( 3050 PWs) bands (ev): -10.8777 -10.8777 -10.8755 -10.8755 -0.6668 -0.6668 -0.6307 -0.6307 0.0241 0.0241 0.0669 0.0669 0.7976 0.7976 0.8142 0.8142 3.8295 3.8295 4.0511 4.0511 4.1018 4.1018 4.2063 4.2063 4.2705 4.2705 4.3342 4.3342 4.4511 4.4511 4.4980 4.4980 4.6830 4.6830 4.7579 4.7579 9.4935 9.4935 9.5123 9.5123 10.9787 10.9787 11.0120 11.0120 k = 0.3580 0.5346 0.3045 ( 3046 PWs) bands (ev): -10.8765 -10.8765 -10.8743 -10.8743 -0.6581 -0.6581 -0.6201 -0.6201 0.0059 0.0059 0.0504 0.0504 0.7997 0.7997 0.8162 0.8162 3.8248 3.8248 4.0469 4.0469 4.1020 4.1020 4.2102 4.2102 4.2713 4.2713 4.3345 4.3345 4.4505 4.4505 4.4936 4.4936 4.6822 4.6822 4.7554 4.7554 9.5179 9.5179 9.5369 9.5369 11.0074 11.0074 11.0413 11.0413 k = 0.3519 0.5453 0.3045 ( 3042 PWs) bands (ev): -10.8756 -10.8756 -10.8734 -10.8734 -0.6512 -0.6512 -0.6115 -0.6115 -0.0088 -0.0088 0.0373 0.0373 0.8014 0.8014 0.8178 0.8178 3.8211 3.8211 4.0436 4.0436 4.1020 4.1020 4.2136 4.2136 4.2719 4.2719 4.3344 4.3344 4.4504 4.4504 4.4898 4.4898 4.6815 4.6815 4.7533 4.7533 9.5368 9.5368 9.5560 9.5560 11.0347 11.0347 11.0691 11.0691 k = 0.3457 0.5560 0.3045 ( 3030 PWs) bands (ev): -10.8750 -10.8750 -10.8727 -10.8727 -0.6463 -0.6463 -0.6053 -0.6053 -0.0194 -0.0194 0.0278 0.0278 0.8026 0.8026 0.8190 0.8190 3.8184 3.8184 4.0412 4.0412 4.1021 4.1021 4.2164 4.2164 4.2725 4.2725 4.3340 4.3340 4.4509 4.4509 4.4868 4.4868 4.6810 4.6810 4.7517 4.7517 9.5502 9.5502 9.5694 9.5694 11.0593 11.0593 11.0942 11.0942 k = 0.3395 0.5667 0.3045 ( 3030 PWs) bands (ev): -10.8745 -10.8745 -10.8722 -10.8722 -0.6433 -0.6433 -0.6015 -0.6015 -0.0258 -0.0258 0.0221 0.0221 0.8034 0.8034 0.8197 0.8197 3.8168 3.8168 4.0398 4.0398 4.1021 4.1021 4.2181 4.2181 4.2728 4.2728 4.3335 4.3335 4.4513 4.4513 4.4849 4.4849 4.6806 4.6806 4.7507 4.7507 9.5581 9.5581 9.5773 9.5773 11.0780 11.0780 11.1135 11.1135 k = 0.3333 0.5774 0.3045 ( 3018 PWs) bands (ev): -10.8744 -10.8744 -10.8721 -10.8721 -0.6424 -0.6424 -0.6003 -0.6003 -0.0280 -0.0280 0.0202 0.0202 0.8036 0.8037 0.8199 0.8199 3.8163 3.8163 4.0394 4.0394 4.1021 4.1021 4.2188 4.2188 4.2730 4.2730 4.3334 4.3334 4.4516 4.4516 4.4842 4.4842 4.6805 4.6805 4.7505 4.7505 9.5607 9.5607 9.5799 9.5799 11.0853 11.0853 11.1212 11.1212 k = 0.3333 0.5774 0.3045 ( 3018 PWs) bands (ev): -10.8744 -10.8744 -10.8721 -10.8721 -0.6424 -0.6424 -0.6003 -0.6003 -0.0280 -0.0280 0.0202 0.0202 0.8036 0.8037 0.8199 0.8199 3.8163 3.8163 4.0394 4.0394 4.1021 4.1021 4.2188 4.2188 4.2730 4.2730 4.3334 4.3334 4.4516 4.4516 4.4842 4.4842 4.6805 4.6805 4.7505 4.7505 9.5607 9.5607 9.5799 9.5799 11.0853 11.0853 11.1212 11.1212 k = 0.3272 0.5667 0.3045 ( 3026 PWs) bands (ev): -10.8745 -10.8745 -10.8723 -10.8723 -0.6433 -0.6433 -0.6014 -0.6014 -0.0259 -0.0259 0.0220 0.0220 0.8034 0.8034 0.8197 0.8197 3.8168 3.8168 4.0398 4.0398 4.1021 4.1021 4.2181 4.2181 4.2728 4.2728 4.3336 4.3336 4.4513 4.4513 4.4849 4.4849 4.6806 4.6806 4.7508 4.7508 9.5582 9.5582 9.5775 9.5775 11.0781 11.0781 11.1135 11.1135 k = 0.3210 0.5560 0.3045 ( 3030 PWs) bands (ev): -10.8750 -10.8750 -10.8727 -10.8727 -0.6457 -0.6457 -0.6047 -0.6047 -0.0199 -0.0199 0.0274 0.0274 0.8026 0.8026 0.8189 0.8189 3.8184 3.8184 4.0412 4.0412 4.1022 4.1022 4.2162 4.2162 4.2723 4.2723 4.3345 4.3345 4.4505 4.4505 4.4871 4.4871 4.6811 4.6811 4.7518 4.7518 9.5512 9.5512 9.5704 9.5704 11.0601 11.0601 11.0946 11.0946 k = 0.3148 0.5453 0.3045 ( 3038 PWs) bands (ev): -10.8758 -10.8758 -10.8736 -10.8736 -0.6495 -0.6495 -0.6095 -0.6095 -0.0103 -0.0103 0.0360 0.0360 0.8013 0.8013 0.8177 0.8177 3.8211 3.8211 4.0434 4.0434 4.1026 4.1026 4.2131 4.2131 4.2715 4.2715 4.3359 4.3359 4.4494 4.4494 4.4904 4.4904 4.6821 4.6821 4.7536 4.7536 9.5400 9.5400 9.5592 9.5592 11.0368 11.0368 11.0705 11.0705 k = 0.3086 0.5346 0.3045 ( 3050 PWs) bands (ev): -10.8770 -10.8770 -10.8748 -10.8748 -0.6542 -0.6542 -0.6156 -0.6156 0.0024 0.0024 0.0474 0.0474 0.7994 0.7994 0.8159 0.8159 3.8249 3.8249 4.0464 4.0464 4.1031 4.1031 4.2088 4.2088 4.2705 4.2705 4.3377 4.3377 4.4484 4.4484 4.4947 4.4947 4.6835 4.6835 4.7561 4.7561 9.5252 9.5252 9.5444 9.5444 11.0111 11.0111 11.0441 11.0441 k = 0.3025 0.5239 0.3045 ( 3050 PWs) bands (ev): -10.8785 -10.8785 -10.8763 -10.8763 -0.6593 -0.6593 -0.6224 -0.6224 0.0178 0.0178 0.0614 0.0614 0.7970 0.7970 0.8137 0.8137 3.8297 3.8297 4.0500 4.0500 4.1043 4.1043 4.2037 4.2037 4.2694 4.2694 4.3397 4.3397 4.4478 4.4478 4.4997 4.4997 4.6855 4.6855 4.7594 4.7594 9.5073 9.5073 9.5264 9.5264 10.9843 10.9843 11.0168 11.0168 k = 0.2963 0.5132 0.3045 ( 3046 PWs) bands (ev): -10.8805 -10.8805 -10.8783 -10.8783 -0.6646 -0.6646 -0.6294 -0.6294 0.0353 0.0353 0.0775 0.0775 0.7940 0.7940 0.8109 0.8109 3.8356 3.8356 4.0538 4.0538 4.1062 4.1062 4.1980 4.1980 4.2685 4.2685 4.3416 4.3416 4.4481 4.4481 4.5053 4.5053 4.6880 4.6880 4.7635 4.7635 9.4867 9.4867 9.5058 9.5058 10.9572 10.9572 10.9892 10.9892 k = 0.2901 0.5025 0.3045 ( 3046 PWs) bands (ev): -10.8828 -10.8828 -10.8806 -10.8806 -0.6697 -0.6697 -0.6363 -0.6363 0.0546 0.0546 0.0954 0.0954 0.7905 0.7905 0.8076 0.8076 3.8424 3.8424 4.0575 4.0575 4.1089 4.1089 4.1918 4.1918 4.2676 4.2676 4.3433 4.3433 4.4493 4.4493 4.5113 4.5113 4.6910 4.6910 4.7681 4.7681 9.4640 9.4640 9.4829 9.4829 10.9298 10.9298 10.9613 10.9613 k = 0.2840 0.4918 0.3045 ( 3046 PWs) bands (ev): -10.8855 -10.8855 -10.8834 -10.8834 -0.6742 -0.6742 -0.6426 -0.6426 0.0752 0.0752 0.1146 0.1146 0.7863 0.7863 0.8037 0.8037 3.8501 3.8501 4.0608 4.0608 4.1126 4.1126 4.1855 4.1855 4.2670 4.2670 4.3447 4.3447 4.4517 4.4517 4.5177 4.5177 4.6946 4.6946 4.7735 4.7735 9.4394 9.4394 9.4582 9.4582 10.9024 10.9024 10.9335 10.9335 k = 0.2778 0.4811 0.3045 ( 3042 PWs) bands (ev): -10.8886 -10.8886 -10.8866 -10.8866 -0.6779 -0.6779 -0.6480 -0.6480 0.0968 0.0968 0.1349 0.1349 0.7817 0.7817 0.7993 0.7993 3.8585 3.8585 4.0634 4.0634 4.1171 4.1171 4.1797 4.1797 4.2666 4.2666 4.3459 4.3459 4.4555 4.4555 4.5243 4.5243 4.6987 4.6987 4.7794 4.7794 9.4133 9.4133 9.4321 9.4321 10.8749 10.8749 10.9056 10.9056 k = 0.2716 0.4704 0.3045 ( 3046 PWs) bands (ev): -10.8922 -10.8922 -10.8902 -10.8902 -0.6805 -0.6805 -0.6523 -0.6523 0.1191 0.1191 0.1560 0.1560 0.7764 0.7765 0.7944 0.7944 3.8675 3.8675 4.0652 4.0652 4.1216 4.1216 4.1752 4.1752 4.2665 4.2665 4.3470 4.3470 4.4604 4.4604 4.5311 4.5311 4.7033 4.7033 4.7859 4.7859 9.3861 9.3861 9.4047 9.4047 10.8476 10.8476 10.8778 10.8778 k = 0.2654 0.4597 0.3045 ( 3048 PWs) bands (ev): -10.8961 -10.8961 -10.8942 -10.8942 -0.6819 -0.6819 -0.6552 -0.6552 0.1418 0.1418 0.1777 0.1777 0.7707 0.7707 0.7890 0.7890 3.8771 3.8771 4.0663 4.0663 4.1248 4.1248 4.1732 4.1732 4.2668 4.2668 4.3486 4.3486 4.4665 4.4665 4.5382 4.5382 4.7083 4.7083 4.7929 4.7929 9.3578 9.3578 9.3762 9.3762 10.8204 10.8204 10.8502 10.8502 k = 0.2593 0.4491 0.3045 ( 3048 PWs) bands (ev): -10.9005 -10.9005 -10.8986 -10.8986 -0.6818 -0.6818 -0.6567 -0.6567 0.1646 0.1646 0.1996 0.1996 0.7644 0.7644 0.7832 0.7832 3.8872 3.8872 4.0668 4.0668 4.1255 4.1255 4.1745 4.1745 4.2677 4.2677 4.3510 4.3510 4.4736 4.4736 4.5455 4.5455 4.7138 4.7138 4.8004 4.8004 9.3287 9.3287 9.3469 9.3469 10.7934 10.7934 10.8227 10.8227 k = 0.2531 0.4384 0.3045 ( 3044 PWs) bands (ev): -10.9053 -10.9053 -10.9034 -10.9034 -0.6802 -0.6802 -0.6564 -0.6564 0.1875 0.1875 0.2216 0.2216 0.7576 0.7576 0.7768 0.7768 3.8975 3.8975 4.0668 4.0668 4.1234 4.1234 4.1791 4.1791 4.2696 4.2696 4.3546 4.3546 4.4817 4.4817 4.5530 4.5530 4.7197 4.7197 4.8084 4.8084 9.2989 9.2989 9.3168 9.3168 10.7667 10.7667 10.7955 10.7955 k = 0.2469 0.4277 0.3045 ( 3040 PWs) bands (ev): -10.9105 -10.9105 -10.9087 -10.9087 -0.6769 -0.6769 -0.6544 -0.6544 0.2101 0.2101 0.2436 0.2436 0.7504 0.7504 0.7700 0.7700 3.9078 3.9078 4.0665 4.0665 4.1195 4.1195 4.1851 4.1851 4.2730 4.2730 4.3597 4.3597 4.4905 4.4905 4.5607 4.5607 4.7260 4.7260 4.8169 4.8169 9.2683 9.2683 9.2859 9.2859 10.7405 10.7405 10.7688 10.7688 k = 0.2407 0.4170 0.3045 ( 3040 PWs) bands (ev): -10.9160 -10.9160 -10.9143 -10.9143 -0.6719 -0.6719 -0.6507 -0.6507 0.2323 0.2323 0.2654 0.2654 0.7427 0.7427 0.7629 0.7629 3.9181 3.9181 4.0657 4.0657 4.1149 4.1149 4.1908 4.1908 4.2784 4.2784 4.3667 4.3667 4.5001 4.5001 4.5685 4.5685 4.7326 4.7326 4.8257 4.8257 9.2369 9.2369 9.2543 9.2543 10.7149 10.7149 10.7425 10.7425 k = 0.2346 0.4063 0.3045 ( 3036 PWs) bands (ev): -10.9220 -10.9220 -10.9203 -10.9203 -0.6651 -0.6651 -0.6450 -0.6450 0.2540 0.2540 0.2867 0.2867 0.7346 0.7346 0.7554 0.7554 3.9282 3.9282 4.0646 4.0646 4.1103 4.1103 4.1951 4.1951 4.2865 4.2865 4.3758 4.3758 4.5103 4.5103 4.5766 4.5766 4.7396 4.7396 4.8350 4.8350 9.2048 9.2048 9.2218 9.2218 10.6900 10.6900 10.7170 10.7170 k = 0.2284 0.3956 0.3045 ( 3036 PWs) bands (ev): -10.9283 -10.9283 -10.9267 -10.9267 -0.6565 -0.6565 -0.6375 -0.6375 0.2752 0.2752 0.3076 0.3076 0.7262 0.7262 0.7476 0.7476 3.9379 3.9379 4.0631 4.0631 4.1061 4.1061 4.1974 4.1974 4.2974 4.2974 4.3868 4.3868 4.5211 4.5211 4.5848 4.5848 4.7470 4.7470 4.8446 4.8446 9.1718 9.1718 9.1884 9.1884 10.6660 10.6660 10.6923 10.6923 k = 0.2222 0.3849 0.3045 ( 3032 PWs) bands (ev): -10.9350 -10.9350 -10.9334 -10.9334 -0.6461 -0.6461 -0.6281 -0.6281 0.2955 0.2955 0.3278 0.3278 0.7175 0.7175 0.7395 0.7395 3.9471 3.9471 4.0613 4.0613 4.1026 4.1026 4.1978 4.1978 4.3110 4.3110 4.3999 4.3999 4.5325 4.5325 4.5932 4.5932 4.7547 4.7547 4.8545 4.8545 9.1378 9.1378 9.1540 9.1540 10.6430 10.6430 10.6686 10.6686 k = 0.2160 0.3742 0.3045 ( 3040 PWs) bands (ev): -10.9420 -10.9420 -10.9405 -10.9405 -0.6339 -0.6339 -0.6168 -0.6168 0.3151 0.3151 0.3474 0.3474 0.7086 0.7086 0.7313 0.7313 3.9557 3.9557 4.0590 4.0590 4.0999 4.0999 4.1967 4.1967 4.3267 4.3267 4.4147 4.4147 4.5444 4.5444 4.6019 4.6019 4.7628 4.7628 4.8647 4.8647 9.1027 9.1027 9.1183 9.1183 10.6215 10.6215 10.6463 10.6463 k = 0.2099 0.3635 0.3045 ( 3028 PWs) bands (ev): -10.9493 -10.9493 -10.9478 -10.9478 -0.6200 -0.6200 -0.6038 -0.6038 0.3338 0.3338 0.3662 0.3662 0.6995 0.6995 0.7230 0.7230 3.9638 3.9638 4.0566 4.0566 4.0981 4.0981 4.1945 4.1945 4.3444 4.3444 4.4312 4.4312 4.5570 4.5570 4.6109 4.6109 4.7712 4.7712 4.8754 4.8754 9.0662 9.0662 9.0813 9.0813 10.6015 10.6015 10.6255 10.6255 k = 0.2037 0.3528 0.3045 ( 3028 PWs) bands (ev): -10.9569 -10.9569 -10.9555 -10.9555 -0.6045 -0.6045 -0.5890 -0.5890 0.3515 0.3515 0.3841 0.3841 0.6904 0.6904 0.7146 0.7146 3.9712 3.9712 4.0539 4.0539 4.0970 4.0970 4.1917 4.1917 4.3634 4.3634 4.4489 4.4489 4.5701 4.5701 4.6201 4.6201 4.7801 4.7801 4.8863 4.8863 9.0282 9.0282 9.0427 9.0427 10.5833 10.5833 10.6064 10.6064 k = 0.1975 0.3421 0.3045 ( 3024 PWs) bands (ev): -10.9648 -10.9648 -10.9634 -10.9634 -0.5874 -0.5874 -0.5725 -0.5725 0.3683 0.3683 0.4011 0.4011 0.6813 0.6813 0.7063 0.7063 3.9781 3.9781 4.0513 4.0513 4.0965 4.0965 4.1884 4.1884 4.3838 4.3838 4.4673 4.4673 4.5838 4.5838 4.6298 4.6298 4.7895 4.7895 4.8976 4.8976 8.9885 8.9885 9.0024 9.0024 10.5672 10.5672 10.5895 10.5895 k = 0.1914 0.3314 0.3045 ( 3024 PWs) bands (ev): -10.9728 -10.9728 -10.9715 -10.9715 -0.5687 -0.5687 -0.5545 -0.5545 0.3839 0.3839 0.4171 0.4171 0.6723 0.6723 0.6981 0.6981 3.9843 3.9843 4.0488 4.0488 4.0965 4.0965 4.1848 4.1848 4.4052 4.4052 4.4861 4.4861 4.5980 4.5980 4.6399 4.6399 4.7993 4.7993 4.9092 4.9092 8.9470 8.9470 8.9602 8.9602 10.5536 10.5536 10.5749 10.5749 k = 0.1852 0.3208 0.3045 ( 3026 PWs) bands (ev): -10.9811 -10.9811 -10.9798 -10.9798 -0.5487 -0.5487 -0.5351 -0.5351 0.3985 0.3985 0.4320 0.4320 0.6636 0.6636 0.6902 0.6902 3.9899 3.9899 4.0465 4.0465 4.0969 4.0969 4.1812 4.1812 4.4275 4.4275 4.5050 4.5050 4.6125 4.6125 4.6507 4.6507 4.8099 4.8099 4.9211 4.9211 8.9034 8.9034 8.9159 8.9159 10.5425 10.5425 10.5629 10.5629 k = 0.1790 0.3101 0.3045 ( 3022 PWs) bands (ev): -10.9896 -10.9896 -10.9883 -10.9883 -0.5275 -0.5275 -0.5144 -0.5144 0.4119 0.4119 0.4459 0.4459 0.6552 0.6552 0.6826 0.6826 3.9952 3.9952 4.0445 4.0445 4.0976 4.0976 4.1776 4.1776 4.4506 4.4506 4.5235 4.5235 4.6272 4.6272 4.6626 4.6626 4.8212 4.8212 4.9334 4.9334 8.8578 8.8578 8.8695 8.8695 10.5344 10.5344 10.5537 10.5537 k = 0.1728 0.2994 0.3045 ( 3022 PWs) bands (ev): -10.9982 -10.9982 -10.9970 -10.9970 -0.5052 -0.5052 -0.4925 -0.4925 0.4243 0.4243 0.4586 0.4586 0.6473 0.6473 0.6755 0.6755 4.0001 4.0001 4.0429 4.0429 4.0986 4.0986 4.1740 4.1740 4.4741 4.4741 4.5413 4.5413 4.6414 4.6414 4.6760 4.6760 4.8333 4.8333 4.9460 4.9460 8.8099 8.8099 8.8208 8.8208 10.5293 10.5293 10.5477 10.5477 k = 0.1667 0.2887 0.3045 ( 3026 PWs) bands (ev): -11.0069 -11.0069 -11.0057 -11.0057 -0.4819 -0.4819 -0.4696 -0.4696 0.4355 0.4355 0.4701 0.4701 0.6400 0.6400 0.6689 0.6689 4.0046 4.0046 4.0416 4.0416 4.0997 4.0997 4.1706 4.1706 4.4977 4.4977 4.5584 4.5584 4.6549 4.6549 4.6912 4.6912 4.8463 4.8463 4.9590 4.9590 8.7597 8.7597 8.7699 8.7699 10.5275 10.5275 10.5449 10.5449 k = 0.1605 0.2780 0.3045 ( 3026 PWs) bands (ev): -11.0157 -11.0157 -11.0145 -11.0145 -0.4579 -0.4579 -0.4460 -0.4460 0.4457 0.4457 0.4805 0.4805 0.6336 0.6336 0.6629 0.6629 4.0090 4.0090 4.0407 4.0407 4.1010 4.1010 4.1673 4.1673 4.5212 4.5212 4.5746 4.5746 4.6676 4.6676 4.7084 4.7084 4.8604 4.8604 4.9722 4.9722 8.7072 8.7072 8.7167 8.7167 10.5290 10.5290 10.5455 10.5455 k = 0.1543 0.2673 0.3045 ( 3020 PWs) bands (ev): -11.0245 -11.0245 -11.0234 -11.0234 -0.4332 -0.4332 -0.4217 -0.4217 0.4548 0.4548 0.4896 0.4896 0.6280 0.6280 0.6576 0.6576 4.0132 4.0132 4.0402 4.0402 4.1025 4.1025 4.1642 4.1642 4.5439 4.5439 4.5902 4.5902 4.6799 4.6799 4.7271 4.7271 4.8755 4.8755 4.9859 4.9859 8.6526 8.6526 8.6613 8.6613 10.5340 10.5340 10.5495 10.5495 k = 0.1481 0.2566 0.3045 ( 3020 PWs) bands (ev): -11.0333 -11.0333 -11.0322 -11.0322 -0.4083 -0.4083 -0.3970 -0.3970 0.4631 0.4631 0.4975 0.4975 0.6236 0.6236 0.6531 0.6531 4.0172 4.0172 4.0401 4.0401 4.1040 4.1040 4.1612 4.1612 4.5651 4.5651 4.6054 4.6054 4.6923 4.6923 4.7470 4.7470 4.8918 4.8918 4.9997 4.9997 8.5958 8.5958 8.6038 8.6038 10.5424 10.5424 10.5571 10.5571 k = 0.1420 0.2459 0.3045 ( 3016 PWs) bands (ev): -11.0421 -11.0421 -11.0410 -11.0410 -0.3832 -0.3832 -0.3721 -0.3721 0.4705 0.4705 0.5042 0.5042 0.6202 0.6202 0.6493 0.6493 4.0211 4.0211 4.0404 4.0404 4.1057 4.1057 4.1584 4.1584 4.5841 4.5841 4.6202 4.6202 4.7056 4.7056 4.7676 4.7676 4.9091 4.9091 5.0138 5.0138 8.5371 8.5371 8.5443 8.5443 10.5543 10.5543 10.5680 10.5680 k = 0.1358 0.2352 0.3045 ( 3020 PWs) bands (ev): -11.0508 -11.0508 -11.0498 -11.0498 -0.3581 -0.3581 -0.3472 -0.3472 0.4772 0.4772 0.5099 0.5099 0.6180 0.6180 0.6463 0.6463 4.0248 4.0248 4.0411 4.0411 4.1073 4.1073 4.1558 4.1558 4.6002 4.6002 4.6346 4.6346 4.7207 4.7207 4.7887 4.7887 4.9273 4.9273 5.0280 5.0280 8.4765 8.4765 8.4831 8.4831 10.5695 10.5695 10.5824 10.5824 k = 0.1296 0.2245 0.3045 ( 3012 PWs) bands (ev): -11.0594 -11.0594 -11.0584 -11.0584 -0.3333 -0.3333 -0.3227 -0.3227 0.4835 0.4835 0.5147 0.5147 0.6170 0.6170 0.6440 0.6440 4.0285 4.0285 4.0422 4.0422 4.1091 4.1091 4.1533 4.1533 4.6137 4.6137 4.6479 4.6479 4.7382 4.7382 4.8102 4.8102 4.9464 4.9464 5.0424 5.0424 8.4144 8.4144 8.4204 8.4204 10.5879 10.5879 10.5999 10.5999 k = 0.1235 0.2138 0.3045 ( 3012 PWs) bands (ev): -11.0679 -11.0679 -11.0669 -11.0669 -0.3091 -0.3091 -0.2986 -0.2986 0.4894 0.4894 0.5190 0.5190 0.6169 0.6169 0.6423 0.6423 4.0319 4.0319 4.0437 4.0437 4.1109 4.1109 4.1510 4.1510 4.6247 4.6247 4.6594 4.6594 4.7583 4.7583 4.8319 4.8319 4.9661 4.9661 5.0568 5.0568 8.3510 8.3510 8.3563 8.3563 10.6093 10.6093 10.6205 10.6205 k = 0.1173 0.2031 0.3045 ( 3008 PWs) bands (ev): -11.0762 -11.0762 -11.0753 -11.0753 -0.2856 -0.2856 -0.2753 -0.2753 0.4953 0.4953 0.5229 0.5229 0.6176 0.6176 0.6413 0.6413 4.0351 4.0351 4.0456 4.0456 4.1127 4.1127 4.1489 4.1489 4.6340 4.6340 4.6688 4.6688 4.7810 4.7810 4.8539 4.8539 4.9863 4.9863 5.0712 5.0712 8.2866 8.2866 8.2913 8.2913 10.6334 10.6334 10.6438 10.6438 k = 0.1111 0.1925 0.3045 ( 3008 PWs) bands (ev): -11.0843 -11.0843 -11.0834 -11.0834 -0.2630 -0.2630 -0.2530 -0.2530 0.5013 0.5013 0.5268 0.5268 0.6190 0.6190 0.6407 0.6407 4.0380 4.0380 4.0480 4.0480 4.1144 4.1144 4.1469 4.1469 4.6420 4.6420 4.6761 4.6761 4.8057 4.8057 4.8760 4.8760 5.0066 5.0066 5.0855 5.0855 8.2214 8.2214 8.2257 8.2257 10.6599 10.6599 10.6696 10.6696 k = 0.1049 0.1818 0.3045 ( 3012 PWs) bands (ev): -11.0922 -11.0922 -11.0913 -11.0913 -0.2416 -0.2416 -0.2318 -0.2318 0.5076 0.5076 0.5310 0.5310 0.6208 0.6208 0.6405 0.6405 4.0407 4.0407 4.0507 4.0507 4.1162 4.1162 4.1450 4.1450 4.6488 4.6488 4.6819 4.6819 4.8317 4.8317 4.8983 4.8983 5.0270 5.0270 5.0995 5.0995 8.1560 8.1560 8.1597 8.1597 10.6886 10.6886 10.6976 10.6976 k = 0.0988 0.1711 0.3045 ( 3016 PWs) bands (ev): -11.0998 -11.0998 -11.0990 -11.0990 -0.2214 -0.2214 -0.2120 -0.2120 0.5143 0.5143 0.5356 0.5356 0.6229 0.6229 0.6406 0.6406 4.0432 4.0432 4.0536 4.0536 4.1179 4.1179 4.1432 4.1432 4.6547 4.6547 4.6863 4.6863 4.8587 4.8587 4.9206 4.9206 5.0472 5.0472 5.1133 5.1133 8.0905 8.0905 8.0938 8.0938 10.7190 10.7191 10.7273 10.7273 k = 0.0926 0.1604 0.3045 ( 3016 PWs) bands (ev): -11.1071 -11.1071 -11.1063 -11.1063 -0.2027 -0.2027 -0.1936 -0.1936 0.5216 0.5216 0.5408 0.5408 0.6252 0.6252 0.6410 0.6410 4.0456 4.0456 4.0567 4.0567 4.1196 4.1196 4.1416 4.1416 4.6598 4.6598 4.6898 4.6898 4.8862 4.8862 4.9429 4.9429 5.0670 5.0670 5.1267 5.1267 8.0255 8.0255 8.0283 8.0283 10.7508 10.7508 10.7583 10.7583 k = 0.0864 0.1497 0.3045 ( 3002 PWs) bands (ev): -11.1141 -11.1141 -11.1133 -11.1133 -0.1856 -0.1856 -0.1769 -0.1769 0.5294 0.5294 0.5467 0.5467 0.6277 0.6277 0.6416 0.6416 4.0480 4.0480 4.0599 4.0599 4.1213 4.1213 4.1401 4.1401 4.6643 4.6643 4.6924 4.6924 4.9140 4.9140 4.9652 4.9652 5.0865 5.0865 5.1398 5.1398 7.9613 7.9613 7.9637 7.9637 10.7835 10.7835 10.7903 10.7903 k = 0.0802 0.1390 0.3045 ( 3000 PWs) bands (ev): -11.1207 -11.1207 -11.1200 -11.1200 -0.1700 -0.1700 -0.1617 -0.1617 0.5376 0.5376 0.5532 0.5532 0.6301 0.6301 0.6423 0.6423 4.0503 4.0503 4.0629 4.0629 4.1229 4.1229 4.1387 4.1387 4.6681 4.6681 4.6943 4.6943 4.9416 4.9416 4.9871 4.9871 5.1055 5.1055 5.1523 5.1523 7.8983 7.8983 7.9004 7.9004 10.8167 10.8167 10.8228 10.8228 k = 0.0741 0.1283 0.3045 ( 2996 PWs) bands (ev): -11.1269 -11.1269 -11.1263 -11.1263 -0.1561 -0.1561 -0.1483 -0.1483 0.5463 0.5463 0.5602 0.5602 0.6326 0.6326 0.6432 0.6432 4.0526 4.0526 4.0659 4.0659 4.1244 4.1244 4.1375 4.1375 4.6715 4.6715 4.6956 4.6956 4.9688 4.9688 5.0086 5.0086 5.1238 5.1238 5.1644 5.1644 7.8370 7.8370 7.8387 7.8387 10.8498 10.8498 10.8552 10.8552 k = 0.0679 0.1176 0.3045 ( 3004 PWs) bands (ev): -11.1327 -11.1327 -11.1321 -11.1321 -0.1437 -0.1437 -0.1364 -0.1364 0.5553 0.5553 0.5675 0.5675 0.6351 0.6351 0.6441 0.6441 4.0549 4.0549 4.0685 4.0685 4.1257 4.1257 4.1363 4.1363 4.6743 4.6743 4.6964 4.6964 4.9953 4.9953 5.0293 5.0293 5.1414 5.1414 5.1758 5.1758 7.7779 7.7779 7.7793 7.7793 10.8824 10.8824 10.8871 10.8871 k = 0.0617 0.1069 0.3045 ( 3000 PWs) bands (ev): -11.1381 -11.1381 -11.1376 -11.1376 -0.1329 -0.1329 -0.1262 -0.1262 0.5643 0.5643 0.5751 0.5751 0.6377 0.6377 0.6452 0.6452 4.0572 4.0572 4.0710 4.0710 4.1270 4.1270 4.1353 4.1353 4.6769 4.6769 4.6969 4.6969 5.0208 5.0208 5.0492 5.0492 5.1583 5.1583 5.1867 5.1867 7.7215 7.7215 7.7226 7.7226 10.9140 10.9140 10.9180 10.9180 k = 0.0556 0.0962 0.3045 ( 3004 PWs) bands (ev): -11.1431 -11.1431 -11.1426 -11.1426 -0.1235 -0.1235 -0.1174 -0.1174 0.5731 0.5731 0.5825 0.5825 0.6403 0.6403 0.6464 0.6464 4.0595 4.0595 4.0731 4.0731 4.1281 4.1281 4.1345 4.1345 4.6790 4.6790 4.6970 4.6970 5.0450 5.0450 5.0678 5.0678 5.1744 5.1744 5.1971 5.1971 7.6682 7.6682 7.6691 7.6691 10.9442 10.9442 10.9475 10.9475 k = 0.0494 0.0855 0.3045 ( 2996 PWs) bands (ev): -11.1476 -11.1476 -11.1471 -11.1471 -0.1155 -0.1155 -0.1100 -0.1100 0.5816 0.5816 0.5897 0.5897 0.6430 0.6430 0.6478 0.6478 4.0618 4.0618 4.0750 4.0750 4.1291 4.1291 4.1338 4.1338 4.6809 4.6809 4.6968 4.6968 5.0675 5.0675 5.0851 5.0851 5.1896 5.1896 5.2069 5.2069 7.6186 7.6186 7.6193 7.6193 10.9723 10.9723 10.9750 10.9750 k = 0.0432 0.0748 0.3045 ( 2996 PWs) bands (ev): -11.1516 -11.1516 -11.1511 -11.1511 -0.1088 -0.1088 -0.1039 -0.1039 0.5894 0.5894 0.5962 0.5962 0.6458 0.6458 0.6493 0.6493 4.0640 4.0640 4.0765 4.0765 4.1300 4.1300 4.1332 4.1332 4.6826 4.6826 4.6965 4.6965 5.0879 5.0879 5.1008 5.1008 5.2037 5.2037 5.2162 5.2162 7.5732 7.5732 7.5737 7.5737 10.9981 10.9981 11.0003 11.0003 k = 0.0370 0.0642 0.3045 ( 2998 PWs) bands (ev): -11.1550 -11.1550 -11.1547 -11.1547 -0.1032 -0.1032 -0.0990 -0.0990 0.5963 0.5963 0.6019 0.6019 0.6487 0.6487 0.6511 0.6511 4.0661 4.0661 4.0776 4.0776 4.1308 4.1308 4.1328 4.1328 4.6840 4.6840 4.6959 4.6959 5.1059 5.1059 5.1146 5.1146 5.2166 5.2166 5.2249 5.2249 7.5326 7.5326 7.5329 7.5329 11.0211 11.0211 11.0228 11.0228 k = 0.0309 0.0535 0.3045 ( 2996 PWs) bands (ev): -11.1580 -11.1580 -11.1577 -11.1577 -0.0986 -0.0986 -0.0951 -0.0951 0.6021 0.6021 0.6067 0.6067 0.6516 0.6516 0.6531 0.6531 4.0682 4.0682 4.0783 4.0783 4.1314 4.1314 4.1326 4.1326 4.6853 4.6853 4.6952 4.6952 5.1212 5.1212 5.1266 5.1266 5.2281 5.2281 5.2330 5.2330 7.4971 7.4971 7.4973 7.4973 11.0411 11.0411 11.0424 11.0424 k = 0.0247 0.0428 0.3045 ( 2992 PWs) bands (ev): -11.1604 -11.1604 -11.1602 -11.1602 -0.0949 -0.0949 -0.0921 -0.0921 0.6068 0.6068 0.6104 0.6104 0.6543 0.6543 0.6551 0.6551 4.0701 4.0701 4.0786 4.0786 4.1318 4.1318 4.1325 4.1325 4.6865 4.6865 4.6944 4.6944 5.1336 5.1336 5.1365 5.1365 5.2378 5.2378 5.2404 5.2404 7.4674 7.4674 7.4675 7.4675 11.0578 11.0578 11.0588 11.0588 k = 0.0185 0.0321 0.3045 ( 2992 PWs) bands (ev): -11.1623 -11.1623 -11.1622 -11.1622 -0.0920 -0.0920 -0.0899 -0.0899 0.6104 0.6104 0.6131 0.6131 0.6567 0.6567 0.6570 0.6570 4.0720 4.0720 4.0785 4.0785 4.1322 4.1322 4.1324 4.1324 4.6877 4.6877 4.6936 4.6936 5.1431 5.1431 5.1443 5.1443 5.2457 5.2457 5.2467 5.2467 7.4437 7.4437 7.4438 7.4438 11.0710 11.0710 11.0717 11.0717 k = 0.0123 0.0214 0.3045 ( 2994 PWs) bands (ev): -11.1637 -11.1637 -11.1636 -11.1636 -0.0899 -0.0899 -0.0885 -0.0885 0.6130 0.6130 0.6148 0.6148 0.6585 0.6585 0.6586 0.6586 4.0736 4.0736 4.0781 4.0781 4.1323 4.1323 4.1324 4.1324 4.6888 4.6888 4.6927 4.6927 5.1496 5.1496 5.1500 5.1500 5.2513 5.2513 5.2517 5.2517 7.4266 7.4266 7.4266 7.4266 11.0805 11.0805 11.0809 11.0809 k = 0.0062 0.0107 0.3045 ( 2994 PWs) bands (ev): -11.1645 -11.1645 -11.1644 -11.1644 -0.0886 -0.0886 -0.0879 -0.0879 0.6147 0.6147 0.6156 0.6156 0.6597 0.6597 0.6597 0.6597 4.0751 4.0751 4.0774 4.0774 4.1324 4.1324 4.1325 4.1325 4.6898 4.6898 4.6917 4.6917 5.1534 5.1534 5.1535 5.1535 5.2547 5.2547 5.2549 5.2549 7.4162 7.4162 7.4162 7.4162 11.0863 11.0863 11.0865 11.0865 k = 0.0000 0.0000 0.3045 ( 2990 PWs) bands (ev): -11.1647 -11.1647 -11.1647 -11.1647 -0.0879 -0.0879 -0.0879 -0.0879 0.6156 0.6156 0.6156 0.6156 0.6601 0.6601 0.6601 0.6601 4.0764 4.0764 4.0764 4.0764 4.1325 4.1325 4.1325 4.1325 4.6908 4.6908 4.6908 4.6908 5.1547 5.1547 5.1547 5.1547 5.2559 5.2559 5.2559 5.2559 7.4127 7.4127 7.4127 7.4127 11.0883 11.0883 11.0883 11.0883 k = 0.5000 0.2887 0.3045 ( 3016 PWs) bands (ev): -10.9060 -10.9060 -10.9060 -10.9060 -0.8741 -0.8741 -0.8741 -0.8741 0.5842 0.5842 0.5842 0.5842 0.6696 0.6696 0.6696 0.6696 4.0163 4.0163 4.0163 4.0163 4.1844 4.1844 4.1844 4.1844 4.2635 4.2635 4.2635 4.2635 4.6092 4.6092 4.6092 4.6092 4.7307 4.7307 4.7307 4.7307 8.6536 8.6536 8.6536 8.6536 10.5145 10.5145 10.5145 10.5145 k = 0.5000 0.2887 0.2923 ( 3012 PWs) bands (ev): -10.9097 -10.9097 -10.9024 -10.9024 -0.8824 -0.8824 -0.8643 -0.8643 0.5774 0.5774 0.5906 0.5906 0.6552 0.6552 0.6831 0.6831 4.0101 4.0101 4.0221 4.0221 4.1767 4.1767 4.1913 4.1913 4.2602 4.2602 4.2669 4.2669 4.5943 4.5943 4.6233 4.6233 4.7164 4.7164 4.7457 4.7457 8.6105 8.6105 8.6996 8.6996 10.4921 10.4921 10.5362 10.5362 k = 0.5000 0.2887 0.2802 ( 3020 PWs) bands (ev): -10.9134 -10.9134 -10.8987 -10.8987 -0.8892 -0.8892 -0.8532 -0.8532 0.5698 0.5698 0.5960 0.5960 0.6404 0.6404 0.6953 0.6953 4.0036 4.0036 4.0275 4.0275 4.1684 4.1684 4.1971 4.1971 4.2571 4.2571 4.2703 4.2703 4.5789 4.5789 4.6359 4.6359 4.7034 4.7034 4.7610 4.7610 8.5708 8.5708 8.7481 8.7481 10.4701 10.4701 10.5563 10.5563 k = 0.5000 0.2887 0.2680 ( 3020 PWs) bands (ev): -10.9171 -10.9171 -10.8951 -10.8951 -0.8945 -0.8945 -0.8406 -0.8406 0.5613 0.5613 0.5994 0.5994 0.6270 0.6270 0.7061 0.7061 3.9967 3.9967 4.0326 4.0326 4.1596 4.1596 4.2018 4.2018 4.2545 4.2545 4.2736 4.2736 4.5636 4.5636 4.6448 4.6448 4.6940 4.6940 4.7763 4.7763 8.5350 8.5350 8.7982 8.7982 10.4496 10.4496 10.5737 10.5737 k = 0.5000 0.2887 0.2558 ( 3022 PWs) bands (ev): -10.9208 -10.9208 -10.8915 -10.8915 -0.8984 -0.8984 -0.8268 -0.8268 0.5513 0.5513 0.5963 0.5963 0.6203 0.6203 0.7153 0.7153 3.9895 3.9895 4.0375 4.0375 4.1504 4.1504 4.2050 4.2050 4.2525 4.2525 4.2767 4.2767 4.5485 4.5485 4.6464 4.6464 4.6917 4.6917 4.7913 4.7913 8.5034 8.5034 8.8492 8.8492 10.4315 10.4315 10.5875 10.5875 k = 0.5000 0.2887 0.2436 ( 3022 PWs) bands (ev): -10.9244 -10.9244 -10.8880 -10.8880 -0.9008 -0.9008 -0.8118 -0.8118 0.5388 0.5388 0.5859 0.5859 0.6218 0.6218 0.7229 0.7229 3.9818 3.9818 4.0420 4.0420 4.1410 4.1410 4.2066 4.2066 4.2514 4.2514 4.2797 4.2797 4.5340 4.5340 4.6399 4.6399 4.6974 4.6974 4.8059 4.8059 8.4763 8.4763 8.9002 8.9002 10.4169 10.4169 10.5968 10.5968 k = 0.5000 0.2887 0.2314 ( 3022 PWs) bands (ev): -10.9279 -10.9279 -10.8845 -10.8845 -0.9017 -0.9017 -0.7956 -0.7956 0.5232 0.5232 0.5749 0.5749 0.6261 0.6261 0.7288 0.7288 3.9738 3.9738 4.0463 4.0463 4.1315 4.1315 4.2064 4.2064 4.2511 4.2511 4.2823 4.2823 4.5202 4.5202 4.6294 4.6294 4.7069 4.7069 4.8200 4.8200 8.4537 8.4537 8.9504 8.9504 10.4066 10.4066 10.6009 10.6009 k = 0.5000 0.2887 0.2193 ( 3026 PWs) bands (ev): -10.9314 -10.9314 -10.8812 -10.8812 -0.9013 -0.9013 -0.7784 -0.7784 0.5045 0.5045 0.5653 0.5653 0.6310 0.6310 0.7331 0.7331 3.9654 3.9654 4.0502 4.0502 4.1219 4.1219 4.2045 4.2045 4.2515 4.2515 4.2847 4.2847 4.5075 4.5075 4.6177 4.6177 4.7175 4.7175 4.8334 4.8334 8.4359 8.4359 8.9988 8.9988 10.4016 10.4016 10.5994 10.5994 k = 0.5000 0.2887 0.2071 ( 3022 PWs) bands (ev): -10.9347 -10.9347 -10.8780 -10.8780 -0.8995 -0.8995 -0.7603 -0.7603 0.4835 0.4835 0.5572 0.5572 0.6360 0.6360 0.7359 0.7359 3.9567 3.9567 4.0539 4.0539 4.1124 4.1124 4.2015 4.2015 4.2521 4.2521 4.2870 4.2870 4.4960 4.4960 4.6058 4.6058 4.7282 4.7282 4.8461 4.8461 8.4227 8.4227 9.0445 9.0445 10.4025 10.4025 10.5920 10.5920 k = 0.5000 0.2887 0.1949 ( 3022 PWs) bands (ev): -10.9380 -10.9380 -10.8749 -10.8749 -0.8964 -0.8964 -0.7415 -0.7415 0.4608 0.4608 0.5503 0.5503 0.6407 0.6407 0.7371 0.7371 3.9477 3.9477 4.0571 4.0571 4.1031 4.1031 4.1974 4.1974 4.2526 4.2526 4.2892 4.2892 4.4858 4.4858 4.5940 4.5940 4.7386 4.7386 4.8579 4.8579 8.4141 8.4141 9.0865 9.0865 10.4100 10.4100 10.5788 10.5788 k = 0.5000 0.2887 0.1827 ( 3018 PWs) bands (ev): -10.9411 -10.9411 -10.8719 -10.8719 -0.8922 -0.8922 -0.7220 -0.7220 0.4370 0.4370 0.5442 0.5442 0.6452 0.6452 0.7370 0.7370 3.9386 3.9386 4.0597 4.0597 4.0943 4.0943 4.1927 4.1927 4.2528 4.2528 4.2914 4.2914 4.4770 4.4770 4.5827 4.5827 4.7486 4.7486 4.8688 4.8688 8.4100 8.4100 9.1242 9.1242 10.4243 10.4243 10.5600 10.5600 k = 0.5000 0.2887 0.1705 ( 3028 PWs) bands (ev): -10.9441 -10.9441 -10.8691 -10.8691 -0.8869 -0.8869 -0.7022 -0.7022 0.4126 0.4126 0.5387 0.5387 0.6494 0.6494 0.7355 0.7355 3.9293 3.9293 4.0613 4.0613 4.0865 4.0865 4.1875 4.1875 4.2525 4.2525 4.2936 4.2936 4.4695 4.4695 4.5716 4.5716 4.7579 4.7579 4.8788 4.8788 8.4101 8.4101 9.1571 9.1571 10.4454 10.4454 10.5363 10.5363 k = 0.5000 0.2887 0.1583 ( 3034 PWs) bands (ev): -10.9470 -10.9470 -10.8664 -10.8664 -0.8806 -0.8806 -0.6820 -0.6820 0.3879 0.3879 0.5336 0.5336 0.6531 0.6531 0.7330 0.7330 3.9199 3.9199 4.0608 4.0608 4.0807 4.0807 4.1820 4.1820 4.2517 4.2517 4.2961 4.2961 4.4632 4.4632 4.5611 4.5611 4.7666 4.7666 4.8878 4.8878 8.4142 8.4142 9.1850 9.1850 10.4716 10.4716 10.5097 10.5097 k = 0.5000 0.2887 0.1462 ( 3030 PWs) bands (ev): -10.9497 -10.9497 -10.8639 -10.8639 -0.8736 -0.8736 -0.6619 -0.6619 0.3633 0.3633 0.5291 0.5291 0.6563 0.6563 0.7296 0.7296 3.9107 3.9107 4.0570 4.0570 4.0783 4.0783 4.1765 4.1765 4.2505 4.2505 4.2987 4.2987 4.4581 4.4581 4.5513 4.5513 4.7746 4.7746 4.8961 4.8961 8.4218 8.4218 9.2079 9.2079 10.4710 10.4710 10.5123 10.5123 k = 0.5000 0.2887 0.1340 ( 3030 PWs) bands (ev): -10.9522 -10.9522 -10.8615 -10.8615 -0.8659 -0.8659 -0.6419 -0.6419 0.3391 0.3391 0.5249 0.5249 0.6588 0.6588 0.7257 0.7257 3.9017 3.9017 4.0507 4.0507 4.0785 4.0785 4.1710 4.1710 4.2490 4.2490 4.3014 4.3014 4.4539 4.4539 4.5422 4.5422 4.7820 4.7820 4.9035 4.9035 8.4325 8.4325 9.2261 9.2261 10.4378 10.4378 10.5497 10.5497 k = 0.5000 0.2887 0.1218 ( 3040 PWs) bands (ev): -10.9546 -10.9546 -10.8593 -10.8593 -0.8578 -0.8578 -0.6223 -0.6223 0.3155 0.3155 0.5210 0.5210 0.6605 0.6605 0.7215 0.7215 3.8929 3.8929 4.0435 4.0435 4.0796 4.0796 4.1657 4.1657 4.2472 4.2472 4.3041 4.3041 4.4503 4.4503 4.5337 4.5337 4.7886 4.7886 4.9100 4.9100 8.4458 8.4458 9.2401 9.2401 10.4010 10.4010 10.5924 10.5924 k = 0.5000 0.2887 0.1096 ( 3040 PWs) bands (ev): -10.9567 -10.9567 -10.8573 -10.8573 -0.8494 -0.8494 -0.6034 -0.6034 0.2929 0.2929 0.5176 0.5176 0.6612 0.6612 0.7175 0.7175 3.8847 3.8847 4.0362 4.0362 4.0811 4.0811 4.1607 4.1607 4.2455 4.2455 4.3069 4.3069 4.4474 4.4474 4.5260 4.5260 4.7946 4.7946 4.9158 4.9158 8.4612 8.4612 9.2506 9.2506 10.3632 10.3632 10.6379 10.6379 k = 0.5000 0.2887 0.0974 ( 3036 PWs) bands (ev): -10.9587 -10.9587 -10.8555 -10.8555 -0.8409 -0.8409 -0.5855 -0.5855 0.2715 0.2715 0.5145 0.5145 0.6607 0.6607 0.7140 0.7140 3.8770 3.8770 4.0293 4.0293 4.0826 4.0826 4.1562 4.1562 4.2438 4.2438 4.3097 4.3097 4.4448 4.4448 4.5191 4.5191 4.7998 4.7998 4.9209 4.9209 8.4779 8.4779 9.2581 9.2581 10.3253 10.3253 10.6844 10.6844 k = 0.5000 0.2887 0.0853 ( 3036 PWs) bands (ev): -10.9604 -10.9604 -10.8539 -10.8539 -0.8327 -0.8327 -0.5688 -0.5688 0.2517 0.2517 0.5118 0.5118 0.6591 0.6591 0.7113 0.7113 3.8700 3.8700 4.0228 4.0228 4.0839 4.0839 4.1521 4.1521 4.2421 4.2421 4.3124 4.3124 4.4426 4.4426 4.5131 4.5131 4.8044 4.8044 4.9253 4.9253 8.4953 8.4953 9.2632 9.2632 10.2885 10.2885 10.7303 10.7303 k = 0.5000 0.2887 0.0731 ( 3038 PWs) bands (ev): -10.9620 -10.9620 -10.8525 -10.8525 -0.8249 -0.8249 -0.5536 -0.5536 0.2337 0.2337 0.5094 0.5094 0.6565 0.6565 0.7094 0.7094 3.8637 3.8637 4.0169 4.0169 4.0851 4.0851 4.1485 4.1485 4.2406 4.2406 4.3149 4.3149 4.4405 4.4405 4.5079 4.5079 4.8083 4.8083 4.9291 4.9291 8.5126 8.5126 9.2665 9.2665 10.2538 10.2538 10.7740 10.7740 k = 0.5000 0.2887 0.0609 ( 3034 PWs) bands (ev): -10.9633 -10.9633 -10.8513 -10.8513 -0.8177 -0.8177 -0.5401 -0.5401 0.2179 0.2179 0.5075 0.5075 0.6533 0.6533 0.7083 0.7083 3.8583 3.8583 4.0117 4.0117 4.0862 4.0862 4.1455 4.1455 4.2393 4.2393 4.3173 4.3173 4.4386 4.4386 4.5036 4.5036 4.8116 4.8116 4.9322 4.9322 8.5290 8.5290 9.2686 9.2686 10.2223 10.2223 10.8140 10.8140 k = 0.5000 0.2887 0.0487 ( 3034 PWs) bands (ev): -10.9643 -10.9643 -10.8503 -10.8503 -0.8115 -0.8115 -0.5287 -0.5287 0.2045 0.2045 0.5058 0.5058 0.6499 0.6499 0.7077 0.7077 3.8537 3.8537 4.0074 4.0074 4.0870 4.0870 4.1431 4.1431 4.2382 4.2382 4.3193 4.3193 4.4369 4.4369 4.5002 4.5002 4.8142 4.8142 4.9348 4.9348 8.5439 8.5439 9.2697 9.2697 10.1949 10.1949 10.8490 10.8490 k = 0.5000 0.2887 0.0365 ( 3032 PWs) bands (ev): -10.9652 -10.9652 -10.8496 -10.8496 -0.8064 -0.8064 -0.5196 -0.5196 0.1938 0.1938 0.5046 0.5046 0.6468 0.6468 0.7075 0.7075 3.8501 3.8501 4.0039 4.0039 4.0876 4.0876 4.1412 4.1412 4.2373 4.2373 4.3210 4.3210 4.4355 4.4355 4.4976 4.4976 4.8163 4.8163 4.9367 4.9367 8.5563 8.5563 9.2702 9.2702 10.1726 10.1726 10.8777 10.8777 k = 0.5000 0.2887 0.0244 ( 3032 PWs) bands (ev): -10.9658 -10.9658 -10.8490 -10.8490 -0.8026 -0.8026 -0.5129 -0.5129 0.1860 0.1860 0.5037 0.5037 0.6443 0.6443 0.7074 0.7074 3.8475 3.8475 4.0014 4.0014 4.0881 4.0881 4.1399 4.1399 4.2366 4.2366 4.3223 4.3223 4.4344 4.4344 4.4957 4.4957 4.8177 4.8177 4.9381 4.9381 8.5657 8.5657 9.2705 9.2705 10.1560 10.1560 10.8989 10.8989 k = 0.5000 0.2887 0.0122 ( 3028 PWs) bands (ev): -10.9662 -10.9662 -10.8487 -10.8487 -0.8002 -0.8002 -0.5088 -0.5088 0.1813 0.1813 0.5031 0.5031 0.6427 0.6427 0.7074 0.7074 3.8460 3.8460 3.9999 3.9999 4.0883 4.0883 4.1391 4.1391 4.2363 4.2363 4.3230 4.3230 4.4337 4.4337 4.4947 4.4947 4.8185 4.8185 4.9390 4.9390 8.5716 8.5716 9.2705 9.2705 10.1457 10.1457 10.9120 10.9120 k = 0.5000 0.2887-0.0000 ( 3022 PWs) bands (ev): -10.9663 -10.9663 -10.8486 -10.8486 -0.7994 -0.7994 -0.5074 -0.5074 0.1797 0.1797 0.5029 0.5029 0.6422 0.6422 0.7075 0.7075 3.8455 3.8455 3.9994 3.9994 4.0884 4.0884 4.1389 4.1389 4.2362 4.2362 4.3233 4.3233 4.4335 4.4335 4.4943 4.4943 4.8189 4.8189 4.9393 4.9393 8.5736 8.5736 9.2706 9.2706 10.1423 10.1423 10.9165 10.9165 k = 0.3333 0.5774-0.0000 ( 3012 PWs) bands (ev): -10.8777 -10.8753 -10.8742 -10.8742 -0.3532 -0.3305 -0.2831 -0.2831 -0.2058 -0.2058 0.2124 0.2124 0.4591 0.4635 0.4635 0.4638 3.7827 3.7827 3.8145 3.9956 3.9956 4.0616 4.0645 4.0645 4.2731 4.2731 4.3758 4.3758 4.4091 4.5204 4.5204 4.5700 4.6680 4.6979 4.6979 4.7652 9.7638 9.7965 9.8120 9.8120 10.1075 10.1075 11.8245 11.8245 k = 0.3333 0.5774 0.0122 ( 3012 PWs) bands (ev): -10.8777 -10.8753 -10.8742 -10.8742 -0.3548 -0.3323 -0.2850 -0.2850 -0.2054 -0.2054 0.2120 0.2120 0.4610 0.4655 0.4655 0.4656 3.7828 3.7828 3.8152 3.9962 3.9962 4.0622 4.0644 4.0644 4.2732 4.2732 4.3757 4.3757 4.4089 4.5203 4.5203 4.5698 4.6682 4.6978 4.6978 4.7652 9.7632 9.7958 9.8113 9.8113 10.1096 10.1096 11.8235 11.8235 k = 0.3333 0.5774 0.0244 ( 3018 PWs) bands (ev): -10.8777 -10.8753 -10.8742 -10.8742 -0.3597 -0.3375 -0.2906 -0.2906 -0.2042 -0.2042 0.2108 0.2108 0.4667 0.4710 0.4714 0.4714 3.7832 3.7832 3.8171 3.9980 3.9980 4.0639 4.0642 4.0642 4.2734 4.2734 4.3753 4.3753 4.4083 4.5200 4.5200 4.5693 4.6688 4.6977 4.6977 4.7654 9.7614 9.7939 9.8093 9.8093 10.1157 10.1157 11.8207 11.8207 k = 0.3333 0.5774 0.0365 ( 3021 PWs) bands (ev): -10.8777 -10.8752 -10.8742 -10.8742 -0.3675 -0.3459 -0.2995 -0.2995 -0.2023 -0.2023 0.2087 0.2087 0.4759 0.4798 0.4809 0.4809 3.7839 3.7839 3.8205 4.0010 4.0010 4.0639 4.0639 4.0668 4.2736 4.2736 4.3746 4.3746 4.4074 4.5196 4.5196 4.5684 4.6697 4.6974 4.6974 4.7658 9.7585 9.7906 9.8060 9.8060 10.1259 10.1259 11.8158 11.8158 k = 0.3333 0.5774 0.0487 ( 3033 PWs) bands (ev): -10.8776 -10.8752 -10.8741 -10.8741 -0.3781 -0.3572 -0.3114 -0.3114 -0.1996 -0.1996 0.2059 0.2059 0.4883 0.4916 0.4938 0.4938 3.7848 3.7848 3.8250 4.0051 4.0051 4.0634 4.0634 4.0707 4.2740 4.2740 4.3735 4.3735 4.4060 4.5189 4.5189 4.5671 4.6709 4.6970 4.6970 4.7663 9.7543 9.7861 9.8014 9.8014 10.1402 10.1402 11.8090 11.8090 k = 0.3333 0.5774 0.0609 ( 3048 PWs) bands (ev): -10.8775 -10.8752 -10.8740 -10.8740 -0.3910 -0.3710 -0.3259 -0.3259 -0.1962 -0.1962 0.2021 0.2021 0.5034 0.5061 0.5095 0.5095 3.7860 3.7860 3.8308 4.0102 4.0102 4.0628 4.0628 4.0756 4.2744 4.2744 4.3723 4.3723 4.4043 4.5181 4.5181 4.5655 4.6725 4.6965 4.6965 4.7668 9.7489 9.7802 9.7954 9.7954 10.1584 10.1584 11.8001 11.8001 k = 0.3333 0.5774 0.0731 ( 3045 PWs) bands (ev): -10.8774 -10.8751 -10.8740 -10.8739 -0.4057 -0.3867 -0.3423 -0.3423 -0.1921 -0.1921 0.1976 0.1976 0.5207 0.5228 0.5275 0.5275 3.7875 3.7875 3.8379 4.0165 4.0165 4.0623 4.0623 4.0816 4.2751 4.2751 4.3709 4.3709 4.4024 4.5172 4.5172 4.5635 4.6745 4.6960 4.6960 4.7675 9.7424 9.7731 9.7882 9.7882 10.1805 10.1805 11.7890 11.7890 k = 0.3333 0.5774 0.0853 ( 3045 PWs) bands (ev): -10.8773 -10.8750 -10.8739 -10.8739 -0.4220 -0.4040 -0.3603 -0.3603 -0.1872 -0.1872 0.1922 0.1922 0.5398 0.5412 0.5472 0.5472 3.7891 3.7891 3.8463 4.0238 4.0238 4.0618 4.0618 4.0884 4.2758 4.2758 4.3692 4.3692 4.4003 4.5161 4.5161 4.5612 4.6768 4.6954 4.6954 4.7683 9.7348 9.7647 9.7797 9.7797 10.2063 10.2063 11.7758 11.7758 k = 0.3333 0.5774 0.0974 ( 3042 PWs) bands (ev): -10.8771 -10.8750 -10.8737 -10.8737 -0.4394 -0.4224 -0.3794 -0.3794 -0.1817 -0.1817 0.1860 0.1860 0.5602 0.5610 0.5683 0.5683 3.7909 3.7909 3.8558 4.0317 4.0317 4.0616 4.0616 4.0959 4.2766 4.2766 4.3674 4.3674 4.3980 4.5149 4.5149 4.5586 4.6794 4.6947 4.6947 4.7691 9.7261 9.7551 9.7699 9.7699 10.2358 10.2358 11.7601 11.7601 k = 0.3333 0.5774 0.1096 ( 3036 PWs) bands (ev): -10.8770 -10.8749 -10.8736 -10.8736 -0.4574 -0.4415 -0.3991 -0.3991 -0.1755 -0.1755 0.1791 0.1791 0.5815 0.5817 0.5903 0.5903 3.7928 3.7928 3.8664 4.0396 4.0396 4.0622 4.0622 4.1039 4.2776 4.2776 4.3653 4.3653 4.3956 4.5136 4.5136 4.5556 4.6823 4.6939 4.6939 4.7699 9.7163 9.7443 9.7590 9.7590 10.2689 10.2689 11.7420 11.7420 k = 0.3333 0.5774 0.1218 ( 3027 PWs) bands (ev): -10.8768 -10.8748 -10.8735 -10.8735 -0.4757 -0.4610 -0.4191 -0.4191 -0.1687 -0.1687 0.1714 0.1714 0.6028 0.6031 0.6126 0.6126 3.7948 3.7948 3.8780 4.0461 4.0461 4.0652 4.0652 4.1123 4.2786 4.2786 4.3631 4.3631 4.3933 4.5120 4.5120 4.5522 4.6856 4.6931 4.6931 4.7706 9.7056 9.7324 9.7470 9.7470 10.3053 10.3053 11.7209 11.7209 k = 0.3333 0.5774 0.1340 ( 3033 PWs) bands (ev): -10.8766 -10.8747 -10.8734 -10.8734 -0.4941 -0.4804 -0.4390 -0.4390 -0.1612 -0.1612 0.1630 0.1630 0.6241 0.6248 0.6350 0.6350 3.7968 3.7968 3.8905 4.0492 4.0492 4.0721 4.0721 4.1207 4.2795 4.2795 4.3606 4.3606 4.3911 4.5103 4.5103 4.5484 4.6890 4.6921 4.6921 4.7712 9.6940 9.7195 9.7340 9.7340 10.3450 10.3450 11.6934 11.6954 k = 0.3333 0.5774 0.1462 ( 3039 PWs) bands (ev): -10.8764 -10.8746 -10.8732 -10.8732 -0.5122 -0.4995 -0.4585 -0.4585 -0.1532 -0.1532 0.1540 0.1540 0.6451 0.6462 0.6570 0.6570 3.7989 3.7989 3.9038 4.0498 4.0498 4.0822 4.0822 4.1288 4.2805 4.2805 4.3580 4.3580 4.3892 4.5083 4.5083 4.5442 4.6911 4.6911 4.6927 4.7716 9.6817 9.7058 9.7202 9.7202 10.3876 10.3876 11.6318 11.6574 k = 0.3333 0.5774 0.1583 ( 3045 PWs) bands (ev): -10.8762 -10.8746 -10.8731 -10.8731 -0.5297 -0.5182 -0.4774 -0.4774 -0.1446 -0.1446 0.1444 0.1444 0.6656 0.6671 0.6785 0.6785 3.8010 3.8010 3.9179 4.0493 4.0493 4.0939 4.0939 4.1363 4.2814 4.2814 4.3553 4.3553 4.3878 4.5062 4.5062 4.5396 4.6900 4.6900 4.6966 4.7719 9.6688 9.6914 9.7058 9.7058 10.4331 10.4331 11.5734 11.5987 k = 0.3333 0.5774 0.1705 ( 3042 PWs) bands (ev): -10.8760 -10.8745 -10.8730 -10.8730 -0.5465 -0.5360 -0.4955 -0.4955 -0.1354 -0.1354 0.1342 0.1342 0.6854 0.6871 0.6991 0.6991 3.8030 3.8030 3.9327 4.0484 4.0484 4.1066 4.1066 4.1431 4.2822 4.2822 4.3526 4.3526 4.3872 4.5041 4.5041 4.5346 4.6889 4.6889 4.7008 4.7720 9.6556 9.6765 9.6909 9.6909 10.4812 10.4812 11.5189 11.5434 k = 0.3333 0.5774 0.1827 ( 3042 PWs) bands (ev): -10.8759 -10.8744 -10.8728 -10.8728 -0.5624 -0.5529 -0.5126 -0.5126 -0.1257 -0.1257 0.1236 0.1236 0.7042 0.7060 0.7185 0.7185 3.8050 3.8050 3.9480 4.0472 4.0472 4.1197 4.1197 4.1487 4.2829 4.2829 4.3499 4.3499 4.3876 4.5018 4.5018 4.5292 4.6878 4.6878 4.7051 4.7718 9.6422 9.6614 9.6758 9.6758 10.5317 10.5317 11.4687 11.4921 k = 0.3333 0.5774 0.1949 ( 3042 PWs) bands (ev): -10.8757 -10.8743 -10.8727 -10.8727 -0.5772 -0.5686 -0.5284 -0.5284 -0.1156 -0.1156 0.1125 0.1125 0.7218 0.7237 0.7367 0.7367 3.8069 3.8069 3.9638 4.0460 4.0460 4.1331 4.1331 4.1526 4.2834 4.2834 4.3471 4.3471 4.3890 4.4994 4.4994 4.5233 4.6866 4.6866 4.7096 4.7713 9.6290 9.6463 9.6609 9.6609 10.5842 10.5842 11.4231 11.4450 k = 0.3333 0.5774 0.2071 ( 3042 PWs) bands (ev): -10.8755 -10.8743 -10.8726 -10.8726 -0.5907 -0.5831 -0.5429 -0.5429 -0.1051 -0.1051 0.1011 0.1011 0.7380 0.7399 0.7534 0.7534 3.8086 3.8086 3.9798 4.0448 4.0448 4.1464 4.1464 4.1548 4.2836 4.2836 4.3445 4.3445 4.3918 4.4970 4.4970 4.5170 4.6855 4.6855 4.7142 4.7704 9.6161 9.6315 9.6463 9.6463 10.6386 10.6386 11.3823 11.4024 k = 0.3333 0.5774 0.2193 ( 3039 PWs) bands (ev): -10.8753 -10.8743 -10.8725 -10.8725 -0.6028 -0.5962 -0.5560 -0.5560 -0.0942 -0.0942 0.0894 0.0894 0.7527 0.7545 0.7685 0.7685 3.8103 3.8103 3.9960 4.0436 4.0436 4.1549 4.1595 4.1595 4.2834 4.2834 4.3420 4.3420 4.3959 4.4946 4.4946 4.5103 4.6845 4.6845 4.7188 4.7693 9.6039 9.6174 9.6325 9.6325 10.6945 10.6945 11.3464 11.3645 k = 0.3333 0.5774 0.2314 ( 3048 PWs) bands (ev): -10.8751 -10.8742 -10.8724 -10.8724 -0.6134 -0.6078 -0.5675 -0.5675 -0.0831 -0.0831 0.0775 0.0775 0.7657 0.7674 0.7818 0.7818 3.8117 3.8117 4.0122 4.0425 4.0425 4.1528 4.1720 4.1720 4.2826 4.2826 4.3396 4.3396 4.4013 4.4921 4.4921 4.5030 4.6835 4.6835 4.7236 4.7677 9.5927 9.6043 9.6197 9.6197 10.7517 10.7517 11.3154 11.3314 k = 0.3333 0.5774 0.2436 ( 3036 PWs) bands (ev): -10.8750 -10.8742 -10.8723 -10.8723 -0.6225 -0.6179 -0.5774 -0.5774 -0.0718 -0.0718 0.0655 0.0655 0.7770 0.7784 0.7933 0.7933 3.8131 3.8131 4.0283 4.0416 4.0416 4.1488 4.1840 4.1840 4.2815 4.2815 4.3377 4.3377 4.4080 4.4900 4.4900 4.4954 4.6826 4.6826 4.7283 4.7658 9.5828 9.5924 9.6082 9.6082 10.8097 10.8097 11.2896 11.3031 k = 0.3333 0.5774 0.2558 ( 3042 PWs) bands (ev): -10.8748 -10.8742 -10.8722 -10.8722 -0.6300 -0.6262 -0.5856 -0.5856 -0.0605 -0.0605 0.0537 0.0537 0.7863 0.7875 0.8027 0.8028 3.8142 3.8142 4.0408 4.0408 4.0441 4.1427 4.1948 4.1948 4.2797 4.2797 4.3361 4.3361 4.4156 4.4872 4.4880 4.4880 4.6818 4.6818 4.7330 4.7634 9.5744 9.5821 9.5984 9.5984 10.8683 10.8683 11.2687 11.2797 k = 0.3333 0.5774 0.2680 ( 3036 PWs) bands (ev): -10.8747 -10.8742 -10.8722 -10.8722 -0.6357 -0.6329 -0.5920 -0.5920 -0.0494 -0.0494 0.0422 0.0422 0.7937 0.7947 0.8102 0.8102 3.8151 3.8151 4.0402 4.0402 4.0596 4.1348 4.2043 4.2043 4.2776 4.2776 4.3349 4.3349 4.4240 4.4788 4.4864 4.4864 4.6812 4.6812 4.7376 4.7607 9.5679 9.5736 9.5905 9.5905 10.9271 10.9271 11.2529 11.2612 k = 0.3333 0.5774 0.2802 ( 3036 PWs) bands (ev): -10.8746 -10.8743 -10.8721 -10.8721 -0.6397 -0.6379 -0.5966 -0.5966 -0.0393 -0.0393 0.0317 0.0317 0.7991 0.7997 0.8156 0.8156 3.8157 3.8157 4.0397 4.0397 4.0745 4.1253 4.2119 4.2119 4.2754 4.2754 4.3340 4.3340 4.4329 4.4699 4.4852 4.4852 4.6807 4.6807 4.7421 4.7576 9.5633 9.5671 9.5847 9.5847 10.9856 10.9856 11.2157 11.2157 k = 0.3333 0.5774 0.2923 ( 3036 PWs) bands (ev): -10.8745 -10.8743 -10.8721 -10.8721 -0.6419 -0.6410 -0.5994 -0.5994 -0.0313 -0.0313 0.0235 0.0235 0.8024 0.8027 0.8188 0.8188 3.8161 3.8161 4.0394 4.0394 4.0887 4.1143 4.2169 4.2169 4.2736 4.2736 4.3335 4.3335 4.4421 4.4608 4.4844 4.4844 4.6804 4.6804 4.7463 4.7541 9.5608 9.5628 9.5811 9.5811 11.0428 11.0428 11.1625 11.1625 k = 0.3333 0.5774 0.3045 ( 3018 PWs) bands (ev): -10.8744 -10.8744 -10.8721 -10.8721 -0.6424 -0.6424 -0.6003 -0.6003 -0.0280 -0.0280 0.0202 0.0202 0.8036 0.8037 0.8199 0.8199 3.8163 3.8163 4.0394 4.0394 4.1021 4.1021 4.2188 4.2188 4.2730 4.2730 4.3334 4.3334 4.4516 4.4516 4.4842 4.4842 4.6805 4.6805 4.7505 4.7505 9.5607 9.5607 9.5799 9.5799 11.0853 11.0853 11.1212 11.1212 Writing output data file CuCl.save init_run : 0.68s CPU 0.42s WALL ( 1 calls) electrons : 206.52s CPU 118.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 206.51s CPU 118.94s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.22s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.16s CPU 0.30s WALL ( 340 calls) cegterg : 186.12s CPU 106.45s WALL ( 402 calls) Called by sum_band: Called by *egterg: h_psi : 89.74s CPU 51.90s WALL ( 6802 calls) s_psi : 9.61s CPU 5.22s WALL ( 6802 calls) g_psi : 0.22s CPU 0.14s WALL ( 6060 calls) cdiaghg : 80.15s CPU 46.05s WALL ( 6400 calls) cegterg:over : 8.54s CPU 4.48s WALL ( 6060 calls) cegterg:upda : 5.91s CPU 3.19s WALL ( 6060 calls) cegterg:last : 3.61s CPU 1.96s WALL ( 1082 calls) cdiaghg:chol : 4.23s CPU 2.45s WALL ( 6400 calls) cdiaghg:inve : 2.11s CPU 1.25s WALL ( 6400 calls) cdiaghg:para : 4.28s CPU 2.54s WALL ( 12800 calls) Called by h_psi: h_psi:vloc : 68.52s CPU 40.15s WALL ( 6802 calls) h_psi:vnl : 21.02s CPU 11.62s WALL ( 6802 calls) add_vuspsi : 13.38s CPU 7.16s WALL ( 6802 calls) General routines calbec : 7.59s CPU 4.43s WALL ( 6802 calls) fft : 0.04s CPU 0.02s WALL ( 19 calls) ffts : 0.01s CPU 0.00s WALL ( 4 calls) fftw : 63.58s CPU 37.22s WALL ( 591648 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.42s CPU 0.56s WALL ( 680 calls) Parallel routines fft_scatter : 40.72s CPU 23.46s WALL ( 591671 calls) PWSCF : 3m40.05s CPU 2m25.70s WALL This run was terminated on: 15:44: 2 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=