Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:34: 2 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ca3N2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 34 19 5 1201 518 83 Max 35 20 6 1203 525 88 Sum 1237 703 211 43277 18791 3089 bravais-lattice index = 14 lattice parameter (alat) = 7.4417 a.u. unit-cell volume = 445.9970 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.441741 celldm(2)= 1.000000 celldm(3)= 1.249619 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 1.249619 ) 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 0.800244 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ca 10.00 40.07800 Ca( 1.00) N 5.00 14.00670 N( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 361 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 2) = ( 0.0106383 0.0061420 -0.0000000), wk = 0.0027701 k( 3) = ( 0.0212766 0.0122841 -0.0000000), wk = 0.0027701 k( 4) = ( 0.0319149 0.0184261 -0.0000000), wk = 0.0027701 k( 5) = ( 0.0425532 0.0245681 -0.0000000), wk = 0.0027701 k( 6) = ( 0.0531915 0.0307101 -0.0000000), wk = 0.0027701 k( 7) = ( 0.0638298 0.0368521 -0.0000000), wk = 0.0027701 k( 8) = ( 0.0744681 0.0429942 -0.0000000), wk = 0.0027701 k( 9) = ( 0.0851064 0.0491362 -0.0000000), wk = 0.0027701 k( 10) = ( 0.0957447 0.0552782 -0.0000000), wk = 0.0027701 k( 11) = ( 0.1063830 0.0614202 -0.0000000), wk = 0.0027701 k( 12) = ( 0.1170213 0.0675623 -0.0000000), wk = 0.0027701 k( 13) = ( 0.1276596 0.0737043 -0.0000000), wk = 0.0027701 k( 14) = ( 0.1382979 0.0798463 -0.0000000), wk = 0.0027701 k( 15) = ( 0.1489362 0.0859883 -0.0000000), wk = 0.0027701 k( 16) = ( 0.1595745 0.0921304 -0.0000000), wk = 0.0027701 k( 17) = ( 0.1702128 0.0982724 -0.0000000), wk = 0.0027701 k( 18) = ( 0.1808511 0.1044144 -0.0000000), wk = 0.0027701 k( 19) = ( 0.1914894 0.1105564 -0.0000000), wk = 0.0027701 k( 20) = ( 0.2021277 0.1166985 -0.0000000), wk = 0.0027701 k( 21) = ( 0.2127660 0.1228405 -0.0000000), wk = 0.0027701 k( 22) = ( 0.2234043 0.1289825 -0.0000000), wk = 0.0027701 k( 23) = ( 0.2340425 0.1351245 -0.0000000), wk = 0.0027701 k( 24) = ( 0.2446809 0.1412666 -0.0000000), wk = 0.0027701 k( 25) = ( 0.2553191 0.1474086 -0.0000000), wk = 0.0027701 k( 26) = ( 0.2659574 0.1535506 -0.0000000), wk = 0.0027701 k( 27) = ( 0.2765957 0.1596926 -0.0000000), wk = 0.0027701 k( 28) = ( 0.2872340 0.1658347 -0.0000000), wk = 0.0027701 k( 29) = ( 0.2978723 0.1719767 -0.0000000), wk = 0.0027701 k( 30) = ( 0.3085106 0.1781187 -0.0000000), wk = 0.0027701 k( 31) = ( 0.3191489 0.1842607 -0.0000000), wk = 0.0027701 k( 32) = ( 0.3297872 0.1904027 -0.0000000), wk = 0.0027701 k( 33) = ( 0.3404255 0.1965448 -0.0000000), wk = 0.0027701 k( 34) = ( 0.3510638 0.2026868 -0.0000000), wk = 0.0027701 k( 35) = ( 0.3617021 0.2088288 -0.0000000), wk = 0.0027701 k( 36) = ( 0.3723404 0.2149708 -0.0000000), wk = 0.0027701 k( 37) = ( 0.3829787 0.2211129 -0.0000000), wk = 0.0027701 k( 38) = ( 0.3936170 0.2272549 -0.0000000), wk = 0.0027701 k( 39) = ( 0.4042553 0.2333969 -0.0000000), wk = 0.0027701 k( 40) = ( 0.4148936 0.2395389 -0.0000000), wk = 0.0027701 k( 41) = ( 0.4255319 0.2456810 -0.0000000), wk = 0.0027701 k( 42) = ( 0.4361702 0.2518230 -0.0000000), wk = 0.0027701 k( 43) = ( 0.4468085 0.2579650 -0.0000000), wk = 0.0027701 k( 44) = ( 0.4574468 0.2641070 -0.0000000), wk = 0.0027701 k( 45) = ( 0.4680851 0.2702491 -0.0000000), wk = 0.0027701 k( 46) = ( 0.4787234 0.2763911 -0.0000000), wk = 0.0027701 k( 47) = ( 0.4893617 0.2825331 -0.0000000), wk = 0.0027701 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027701 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027701 k( 50) = ( 0.4938272 0.2993668 -0.0000000), wk = 0.0027701 k( 51) = ( 0.4876543 0.3100585 -0.0000000), wk = 0.0027701 k( 52) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0027701 k( 53) = ( 0.4753086 0.3314418 -0.0000000), wk = 0.0027701 k( 54) = ( 0.4691358 0.3421335 -0.0000000), wk = 0.0027701 k( 55) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0027701 k( 56) = ( 0.4567901 0.3635168 -0.0000000), wk = 0.0027701 k( 57) = ( 0.4506173 0.3742085 -0.0000000), wk = 0.0027701 k( 58) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0027701 k( 59) = ( 0.4382716 0.3955918 -0.0000000), wk = 0.0027701 k( 60) = ( 0.4320988 0.4062835 -0.0000000), wk = 0.0027701 k( 61) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0027701 k( 62) = ( 0.4197531 0.4276669 -0.0000000), wk = 0.0027701 k( 63) = ( 0.4135802 0.4383585 -0.0000000), wk = 0.0027701 k( 64) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0027701 k( 65) = ( 0.4012346 0.4597419 -0.0000000), wk = 0.0027701 k( 66) = ( 0.3950617 0.4704335 -0.0000000), wk = 0.0027701 k( 67) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0027701 k( 68) = ( 0.3827160 0.4918169 -0.0000000), wk = 0.0027701 k( 69) = ( 0.3765432 0.5025086 -0.0000000), wk = 0.0027701 k( 70) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0027701 k( 71) = ( 0.3641975 0.5238919 -0.0000000), wk = 0.0027701 k( 72) = ( 0.3580247 0.5345836 -0.0000000), wk = 0.0027701 k( 73) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0027701 k( 74) = ( 0.3456790 0.5559669 -0.0000000), wk = 0.0027701 k( 75) = ( 0.3395062 0.5666586 -0.0000000), wk = 0.0027701 k( 76) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027701 k( 77) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027701 k( 78) = ( 0.3271605 0.5666586 -0.0000000), wk = 0.0027701 k( 79) = ( 0.3209877 0.5559669 -0.0000000), wk = 0.0027701 k( 80) = ( 0.3148148 0.5452752 -0.0000000), wk = 0.0027701 k( 81) = ( 0.3086420 0.5345836 -0.0000000), wk = 0.0027701 k( 82) = ( 0.3024691 0.5238919 -0.0000000), wk = 0.0027701 k( 83) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0027701 k( 84) = ( 0.2901235 0.5025086 -0.0000000), wk = 0.0027701 k( 85) = ( 0.2839506 0.4918169 -0.0000000), wk = 0.0027701 k( 86) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0027701 k( 87) = ( 0.2716049 0.4704336 -0.0000000), wk = 0.0027701 k( 88) = ( 0.2654321 0.4597419 -0.0000000), wk = 0.0027701 k( 89) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0027701 k( 90) = ( 0.2530864 0.4383585 -0.0000000), wk = 0.0027701 k( 91) = ( 0.2469136 0.4276669 -0.0000000), wk = 0.0027701 k( 92) = ( 0.2407407 0.4169752 -0.0000000), wk = 0.0027701 k( 93) = ( 0.2345679 0.4062835 -0.0000000), wk = 0.0027701 k( 94) = ( 0.2283951 0.3955918 -0.0000000), wk = 0.0027701 k( 95) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0027701 k( 96) = ( 0.2160494 0.3742085 -0.0000000), wk = 0.0027701 k( 97) = ( 0.2098765 0.3635168 -0.0000000), wk = 0.0027701 k( 98) = ( 0.2037037 0.3528252 -0.0000000), wk = 0.0027701 k( 99) = ( 0.1975309 0.3421335 -0.0000000), wk = 0.0027701 k( 100) = ( 0.1913580 0.3314418 -0.0000000), wk = 0.0027701 k( 101) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0027701 k( 102) = ( 0.1790123 0.3100585 -0.0000000), wk = 0.0027701 k( 103) = ( 0.1728395 0.2993668 -0.0000000), wk = 0.0027701 k( 104) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0027701 k( 105) = ( 0.1604938 0.2779835 -0.0000000), wk = 0.0027701 k( 106) = ( 0.1543210 0.2672918 -0.0000000), wk = 0.0027701 k( 107) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0027701 k( 108) = ( 0.1419753 0.2459085 -0.0000000), wk = 0.0027701 k( 109) = ( 0.1358025 0.2352168 -0.0000000), wk = 0.0027701 k( 110) = ( 0.1296296 0.2245251 -0.0000000), wk = 0.0027701 k( 111) = ( 0.1234568 0.2138334 -0.0000000), wk = 0.0027701 k( 112) = ( 0.1172839 0.2031418 -0.0000000), wk = 0.0027701 k( 113) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0027701 k( 114) = ( 0.1049383 0.1817584 -0.0000000), wk = 0.0027701 k( 115) = ( 0.0987654 0.1710667 -0.0000000), wk = 0.0027701 k( 116) = ( 0.0925926 0.1603751 -0.0000000), wk = 0.0027701 k( 117) = ( 0.0864198 0.1496834 -0.0000000), wk = 0.0027701 k( 118) = ( 0.0802469 0.1389917 -0.0000000), wk = 0.0027701 k( 119) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0027701 k( 120) = ( 0.0679012 0.1176084 -0.0000000), wk = 0.0027701 k( 121) = ( 0.0617284 0.1069167 -0.0000000), wk = 0.0027701 k( 122) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0027701 k( 123) = ( 0.0493827 0.0855334 -0.0000000), wk = 0.0027701 k( 124) = ( 0.0432099 0.0748417 -0.0000000), wk = 0.0027701 k( 125) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0027701 k( 126) = ( 0.0308642 0.0534584 -0.0000000), wk = 0.0027701 k( 127) = ( 0.0246914 0.0427667 -0.0000000), wk = 0.0027701 k( 128) = ( 0.0185185 0.0320750 -0.0000000), wk = 0.0027701 k( 129) = ( 0.0123457 0.0213833 -0.0000000), wk = 0.0027701 k( 130) = ( 0.0061728 0.0106917 -0.0000000), wk = 0.0027701 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 133) = ( 0.0000000 0.0000000 0.0125038), wk = 0.0027701 k( 134) = ( 0.0000000 0.0000000 0.0250076), wk = 0.0027701 k( 135) = ( 0.0000000 0.0000000 0.0375114), wk = 0.0027701 k( 136) = ( 0.0000000 0.0000000 0.0500152), wk = 0.0027701 k( 137) = ( 0.0000000 0.0000000 0.0625191), wk = 0.0027701 k( 138) = ( 0.0000000 0.0000000 0.0750229), wk = 0.0027701 k( 139) = ( 0.0000000 0.0000000 0.0875267), wk = 0.0027701 k( 140) = ( 0.0000000 0.0000000 0.1000305), wk = 0.0027701 k( 141) = ( 0.0000000 0.0000000 0.1125343), wk = 0.0027701 k( 142) = ( 0.0000000 0.0000000 0.1250381), wk = 0.0027701 k( 143) = ( 0.0000000 0.0000000 0.1375419), wk = 0.0027701 k( 144) = ( 0.0000000 0.0000000 0.1500457), wk = 0.0027701 k( 145) = ( 0.0000000 0.0000000 0.1625495), wk = 0.0027701 k( 146) = ( 0.0000000 0.0000000 0.1750533), wk = 0.0027701 k( 147) = ( 0.0000000 0.0000000 0.1875572), wk = 0.0027701 k( 148) = ( 0.0000000 0.0000000 0.2000610), wk = 0.0027701 k( 149) = ( 0.0000000 0.0000000 0.2125648), wk = 0.0027701 k( 150) = ( 0.0000000 0.0000000 0.2250686), wk = 0.0027701 k( 151) = ( 0.0000000 0.0000000 0.2375724), wk = 0.0027701 k( 152) = ( 0.0000000 0.0000000 0.2500762), wk = 0.0027701 k( 153) = ( 0.0000000 0.0000000 0.2625800), wk = 0.0027701 k( 154) = ( 0.0000000 0.0000000 0.2750838), wk = 0.0027701 k( 155) = ( 0.0000000 0.0000000 0.2875876), wk = 0.0027701 k( 156) = ( 0.0000000 0.0000000 0.3000914), wk = 0.0027701 k( 157) = ( 0.0000000 0.0000000 0.3125953), wk = 0.0027701 k( 158) = ( 0.0000000 0.0000000 0.3250991), wk = 0.0027701 k( 159) = ( 0.0000000 0.0000000 0.3376029), wk = 0.0027701 k( 160) = ( 0.0000000 0.0000000 0.3501067), wk = 0.0027701 k( 161) = ( 0.0000000 0.0000000 0.3626105), wk = 0.0027701 k( 162) = ( 0.0000000 0.0000000 0.3751143), wk = 0.0027701 k( 163) = ( 0.0000000 0.0000000 0.3876181), wk = 0.0027701 k( 164) = ( 0.0000000 0.0000000 0.4001219), wk = 0.0027701 k( 165) = ( 0.0000000 0.0000000 0.4001219), wk = 0.0027701 k( 166) = ( 0.0106383 0.0061420 0.4001219), wk = 0.0027701 k( 167) = ( 0.0212766 0.0122841 0.4001219), wk = 0.0027701 k( 168) = ( 0.0319149 0.0184261 0.4001219), wk = 0.0027701 k( 169) = ( 0.0425532 0.0245681 0.4001219), wk = 0.0027701 k( 170) = ( 0.0531915 0.0307101 0.4001219), wk = 0.0027701 k( 171) = ( 0.0638298 0.0368521 0.4001219), wk = 0.0027701 k( 172) = ( 0.0744681 0.0429942 0.4001219), wk = 0.0027701 k( 173) = ( 0.0851064 0.0491362 0.4001219), wk = 0.0027701 k( 174) = ( 0.0957447 0.0552782 0.4001219), wk = 0.0027701 k( 175) = ( 0.1063830 0.0614202 0.4001219), wk = 0.0027701 k( 176) = ( 0.1170213 0.0675623 0.4001219), wk = 0.0027701 k( 177) = ( 0.1276596 0.0737043 0.4001219), wk = 0.0027701 k( 178) = ( 0.1382979 0.0798463 0.4001219), wk = 0.0027701 k( 179) = ( 0.1489362 0.0859883 0.4001219), wk = 0.0027701 k( 180) = ( 0.1595745 0.0921304 0.4001219), wk = 0.0027701 k( 181) = ( 0.1702128 0.0982724 0.4001219), wk = 0.0027701 k( 182) = ( 0.1808511 0.1044144 0.4001219), wk = 0.0027701 k( 183) = ( 0.1914894 0.1105564 0.4001219), wk = 0.0027701 k( 184) = ( 0.2021277 0.1166985 0.4001219), wk = 0.0027701 k( 185) = ( 0.2127660 0.1228405 0.4001219), wk = 0.0027701 k( 186) = ( 0.2234043 0.1289825 0.4001219), wk = 0.0027701 k( 187) = ( 0.2340425 0.1351245 0.4001219), wk = 0.0027701 k( 188) = ( 0.2446809 0.1412666 0.4001219), wk = 0.0027701 k( 189) = ( 0.2553191 0.1474086 0.4001219), wk = 0.0027701 k( 190) = ( 0.2659574 0.1535506 0.4001219), wk = 0.0027701 k( 191) = ( 0.2765957 0.1596926 0.4001219), wk = 0.0027701 k( 192) = ( 0.2872340 0.1658347 0.4001219), wk = 0.0027701 k( 193) = ( 0.2978723 0.1719767 0.4001219), wk = 0.0027701 k( 194) = ( 0.3085106 0.1781187 0.4001219), wk = 0.0027701 k( 195) = ( 0.3191489 0.1842607 0.4001219), wk = 0.0027701 k( 196) = ( 0.3297872 0.1904027 0.4001219), wk = 0.0027701 k( 197) = ( 0.3404255 0.1965448 0.4001219), wk = 0.0027701 k( 198) = ( 0.3510638 0.2026868 0.4001219), wk = 0.0027701 k( 199) = ( 0.3617021 0.2088288 0.4001219), wk = 0.0027701 k( 200) = ( 0.3723404 0.2149708 0.4001219), wk = 0.0027701 k( 201) = ( 0.3829787 0.2211129 0.4001219), wk = 0.0027701 k( 202) = ( 0.3936170 0.2272549 0.4001219), wk = 0.0027701 k( 203) = ( 0.4042553 0.2333969 0.4001219), wk = 0.0027701 k( 204) = ( 0.4148936 0.2395389 0.4001219), wk = 0.0027701 k( 205) = ( 0.4255319 0.2456810 0.4001219), wk = 0.0027701 k( 206) = ( 0.4361702 0.2518230 0.4001219), wk = 0.0027701 k( 207) = ( 0.4468085 0.2579650 0.4001219), wk = 0.0027701 k( 208) = ( 0.4574468 0.2641070 0.4001219), wk = 0.0027701 k( 209) = ( 0.4680851 0.2702491 0.4001219), wk = 0.0027701 k( 210) = ( 0.4787234 0.2763911 0.4001219), wk = 0.0027701 k( 211) = ( 0.4893617 0.2825331 0.4001219), wk = 0.0027701 k( 212) = ( 0.5000000 0.2886751 0.4001219), wk = 0.0027701 k( 213) = ( 0.5000000 0.2886751 0.4001219), wk = 0.0027701 k( 214) = ( 0.4938272 0.2993668 0.4001219), wk = 0.0027701 k( 215) = ( 0.4876543 0.3100585 0.4001219), wk = 0.0027701 k( 216) = ( 0.4814815 0.3207502 0.4001219), wk = 0.0027701 k( 217) = ( 0.4753086 0.3314418 0.4001219), wk = 0.0027701 k( 218) = ( 0.4691358 0.3421335 0.4001219), wk = 0.0027701 k( 219) = ( 0.4629630 0.3528252 0.4001219), wk = 0.0027701 k( 220) = ( 0.4567901 0.3635168 0.4001219), wk = 0.0027701 k( 221) = ( 0.4506173 0.3742085 0.4001219), wk = 0.0027701 k( 222) = ( 0.4444444 0.3849002 0.4001219), wk = 0.0027701 k( 223) = ( 0.4382716 0.3955918 0.4001219), wk = 0.0027701 k( 224) = ( 0.4320988 0.4062835 0.4001219), wk = 0.0027701 k( 225) = ( 0.4259259 0.4169752 0.4001219), wk = 0.0027701 k( 226) = ( 0.4197531 0.4276669 0.4001219), wk = 0.0027701 k( 227) = ( 0.4135802 0.4383585 0.4001219), wk = 0.0027701 k( 228) = ( 0.4074074 0.4490502 0.4001219), wk = 0.0027701 k( 229) = ( 0.4012346 0.4597419 0.4001219), wk = 0.0027701 k( 230) = ( 0.3950617 0.4704335 0.4001219), wk = 0.0027701 k( 231) = ( 0.3888889 0.4811252 0.4001219), wk = 0.0027701 k( 232) = ( 0.3827160 0.4918169 0.4001219), wk = 0.0027701 k( 233) = ( 0.3765432 0.5025086 0.4001219), wk = 0.0027701 k( 234) = ( 0.3703704 0.5132002 0.4001219), wk = 0.0027701 k( 235) = ( 0.3641975 0.5238919 0.4001219), wk = 0.0027701 k( 236) = ( 0.3580247 0.5345836 0.4001219), wk = 0.0027701 k( 237) = ( 0.3518519 0.5452753 0.4001219), wk = 0.0027701 k( 238) = ( 0.3456790 0.5559669 0.4001219), wk = 0.0027701 k( 239) = ( 0.3395062 0.5666586 0.4001219), wk = 0.0027701 k( 240) = ( 0.3333333 0.5773503 0.4001219), wk = 0.0027701 k( 241) = ( 0.3333333 0.5773503 0.4001219), wk = 0.0027701 k( 242) = ( 0.3271605 0.5666586 0.4001219), wk = 0.0027701 k( 243) = ( 0.3209877 0.5559669 0.4001219), wk = 0.0027701 k( 244) = ( 0.3148148 0.5452752 0.4001219), wk = 0.0027701 k( 245) = ( 0.3086420 0.5345836 0.4001219), wk = 0.0027701 k( 246) = ( 0.3024691 0.5238919 0.4001219), wk = 0.0027701 k( 247) = ( 0.2962963 0.5132002 0.4001219), wk = 0.0027701 k( 248) = ( 0.2901235 0.5025086 0.4001219), wk = 0.0027701 k( 249) = ( 0.2839506 0.4918169 0.4001219), wk = 0.0027701 k( 250) = ( 0.2777778 0.4811252 0.4001219), wk = 0.0027701 k( 251) = ( 0.2716049 0.4704336 0.4001219), wk = 0.0027701 k( 252) = ( 0.2654321 0.4597419 0.4001219), wk = 0.0027701 k( 253) = ( 0.2592593 0.4490502 0.4001219), wk = 0.0027701 k( 254) = ( 0.2530864 0.4383585 0.4001219), wk = 0.0027701 k( 255) = ( 0.2469136 0.4276669 0.4001219), wk = 0.0027701 k( 256) = ( 0.2407407 0.4169752 0.4001219), wk = 0.0027701 k( 257) = ( 0.2345679 0.4062835 0.4001219), wk = 0.0027701 k( 258) = ( 0.2283951 0.3955918 0.4001219), wk = 0.0027701 k( 259) = ( 0.2222222 0.3849002 0.4001219), wk = 0.0027701 k( 260) = ( 0.2160494 0.3742085 0.4001219), wk = 0.0027701 k( 261) = ( 0.2098765 0.3635168 0.4001219), wk = 0.0027701 k( 262) = ( 0.2037037 0.3528252 0.4001219), wk = 0.0027701 k( 263) = ( 0.1975309 0.3421335 0.4001219), wk = 0.0027701 k( 264) = ( 0.1913580 0.3314418 0.4001219), wk = 0.0027701 k( 265) = ( 0.1851852 0.3207502 0.4001219), wk = 0.0027701 k( 266) = ( 0.1790123 0.3100585 0.4001219), wk = 0.0027701 k( 267) = ( 0.1728395 0.2993668 0.4001219), wk = 0.0027701 k( 268) = ( 0.1666667 0.2886751 0.4001219), wk = 0.0027701 k( 269) = ( 0.1604938 0.2779835 0.4001219), wk = 0.0027701 k( 270) = ( 0.1543210 0.2672918 0.4001219), wk = 0.0027701 k( 271) = ( 0.1481482 0.2566001 0.4001219), wk = 0.0027701 k( 272) = ( 0.1419753 0.2459085 0.4001219), wk = 0.0027701 k( 273) = ( 0.1358025 0.2352168 0.4001219), wk = 0.0027701 k( 274) = ( 0.1296296 0.2245251 0.4001219), wk = 0.0027701 k( 275) = ( 0.1234568 0.2138334 0.4001219), wk = 0.0027701 k( 276) = ( 0.1172839 0.2031418 0.4001219), wk = 0.0027701 k( 277) = ( 0.1111111 0.1924501 0.4001219), wk = 0.0027701 k( 278) = ( 0.1049383 0.1817584 0.4001219), wk = 0.0027701 k( 279) = ( 0.0987654 0.1710667 0.4001219), wk = 0.0027701 k( 280) = ( 0.0925926 0.1603751 0.4001219), wk = 0.0027701 k( 281) = ( 0.0864198 0.1496834 0.4001219), wk = 0.0027701 k( 282) = ( 0.0802469 0.1389917 0.4001219), wk = 0.0027701 k( 283) = ( 0.0740741 0.1283001 0.4001219), wk = 0.0027701 k( 284) = ( 0.0679012 0.1176084 0.4001219), wk = 0.0027701 k( 285) = ( 0.0617284 0.1069167 0.4001219), wk = 0.0027701 k( 286) = ( 0.0555556 0.0962251 0.4001219), wk = 0.0027701 k( 287) = ( 0.0493827 0.0855334 0.4001219), wk = 0.0027701 k( 288) = ( 0.0432099 0.0748417 0.4001219), wk = 0.0027701 k( 289) = ( 0.0370370 0.0641500 0.4001219), wk = 0.0027701 k( 290) = ( 0.0308642 0.0534584 0.4001219), wk = 0.0027701 k( 291) = ( 0.0246914 0.0427667 0.4001219), wk = 0.0027701 k( 292) = ( 0.0185185 0.0320750 0.4001219), wk = 0.0027701 k( 293) = ( 0.0123457 0.0213833 0.4001219), wk = 0.0027701 k( 294) = ( 0.0061728 0.0106917 0.4001219), wk = 0.0027701 k( 295) = ( 0.0000000 0.0000000 0.4001219), wk = 0.0027701 k( 296) = ( 0.5000000 0.2886751 0.4001219), wk = 0.0027701 k( 297) = ( 0.5000000 0.2886751 0.3876181), wk = 0.0027701 k( 298) = ( 0.5000000 0.2886751 0.3751143), wk = 0.0027701 k( 299) = ( 0.5000000 0.2886751 0.3626105), wk = 0.0027701 k( 300) = ( 0.5000000 0.2886751 0.3501067), wk = 0.0027701 k( 301) = ( 0.5000000 0.2886751 0.3376029), wk = 0.0027701 k( 302) = ( 0.5000000 0.2886751 0.3250991), wk = 0.0027701 k( 303) = ( 0.5000000 0.2886751 0.3125953), wk = 0.0027701 k( 304) = ( 0.5000000 0.2886751 0.3000914), wk = 0.0027701 k( 305) = ( 0.5000000 0.2886751 0.2875876), wk = 0.0027701 k( 306) = ( 0.5000000 0.2886751 0.2750838), wk = 0.0027701 k( 307) = ( 0.5000000 0.2886751 0.2625800), wk = 0.0027701 k( 308) = ( 0.5000000 0.2886751 0.2500762), wk = 0.0027701 k( 309) = ( 0.5000000 0.2886751 0.2375724), wk = 0.0027701 k( 310) = ( 0.5000000 0.2886751 0.2250686), wk = 0.0027701 k( 311) = ( 0.5000000 0.2886751 0.2125648), wk = 0.0027701 k( 312) = ( 0.5000000 0.2886751 0.2000610), wk = 0.0027701 k( 313) = ( 0.5000000 0.2886751 0.1875572), wk = 0.0027701 k( 314) = ( 0.5000000 0.2886751 0.1750533), wk = 0.0027701 k( 315) = ( 0.5000000 0.2886751 0.1625495), wk = 0.0027701 k( 316) = ( 0.5000000 0.2886751 0.1500457), wk = 0.0027701 k( 317) = ( 0.5000000 0.2886751 0.1375419), wk = 0.0027701 k( 318) = ( 0.5000000 0.2886751 0.1250381), wk = 0.0027701 k( 319) = ( 0.5000000 0.2886751 0.1125343), wk = 0.0027701 k( 320) = ( 0.5000000 0.2886751 0.1000305), wk = 0.0027701 k( 321) = ( 0.5000000 0.2886751 0.0875267), wk = 0.0027701 k( 322) = ( 0.5000000 0.2886751 0.0750229), wk = 0.0027701 k( 323) = ( 0.5000000 0.2886751 0.0625191), wk = 0.0027701 k( 324) = ( 0.5000000 0.2886751 0.0500152), wk = 0.0027701 k( 325) = ( 0.5000000 0.2886751 0.0375114), wk = 0.0027701 k( 326) = ( 0.5000000 0.2886751 0.0250076), wk = 0.0027701 k( 327) = ( 0.5000000 0.2886751 0.0125038), wk = 0.0027701 k( 328) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027701 k( 329) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027701 k( 330) = ( 0.3333333 0.5773503 0.0125038), wk = 0.0027701 k( 331) = ( 0.3333333 0.5773503 0.0250076), wk = 0.0027701 k( 332) = ( 0.3333333 0.5773503 0.0375114), wk = 0.0027701 k( 333) = ( 0.3333333 0.5773503 0.0500152), wk = 0.0027701 k( 334) = ( 0.3333333 0.5773503 0.0625191), wk = 0.0027701 k( 335) = ( 0.3333333 0.5773503 0.0750229), wk = 0.0027701 k( 336) = ( 0.3333333 0.5773503 0.0875267), wk = 0.0027701 k( 337) = ( 0.3333333 0.5773503 0.1000305), wk = 0.0027701 k( 338) = ( 0.3333333 0.5773503 0.1125343), wk = 0.0027701 k( 339) = ( 0.3333333 0.5773503 0.1250381), wk = 0.0027701 k( 340) = ( 0.3333333 0.5773503 0.1375419), wk = 0.0027701 k( 341) = ( 0.3333333 0.5773503 0.1500457), wk = 0.0027701 k( 342) = ( 0.3333333 0.5773503 0.1625495), wk = 0.0027701 k( 343) = ( 0.3333333 0.5773503 0.1750533), wk = 0.0027701 k( 344) = ( 0.3333333 0.5773503 0.1875572), wk = 0.0027701 k( 345) = ( 0.3333333 0.5773503 0.2000610), wk = 0.0027701 k( 346) = ( 0.3333333 0.5773503 0.2125648), wk = 0.0027701 k( 347) = ( 0.3333333 0.5773503 0.2250686), wk = 0.0027701 k( 348) = ( 0.3333333 0.5773503 0.2375724), wk = 0.0027701 k( 349) = ( 0.3333333 0.5773503 0.2500762), wk = 0.0027701 k( 350) = ( 0.3333333 0.5773503 0.2625800), wk = 0.0027701 k( 351) = ( 0.3333333 0.5773503 0.2750838), wk = 0.0027701 k( 352) = ( 0.3333333 0.5773503 0.2875876), wk = 0.0027701 k( 353) = ( 0.3333333 0.5773503 0.3000914), wk = 0.0027701 k( 354) = ( 0.3333333 0.5773503 0.3125953), wk = 0.0027701 k( 355) = ( 0.3333333 0.5773503 0.3250991), wk = 0.0027701 k( 356) = ( 0.3333333 0.5773503 0.3376029), wk = 0.0027701 k( 357) = ( 0.3333333 0.5773503 0.3501067), wk = 0.0027701 k( 358) = ( 0.3333333 0.5773503 0.3626105), wk = 0.0027701 k( 359) = ( 0.3333333 0.5773503 0.3751143), wk = 0.0027701 k( 360) = ( 0.3333333 0.5773503 0.3876181), wk = 0.0027701 k( 361) = ( 0.3333333 0.5773503 0.4001219), wk = 0.0027701 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 2) = ( 0.0106383 -0.0000000 0.0000000), wk = 0.0027701 k( 3) = ( 0.0212766 -0.0000000 0.0000000), wk = 0.0027701 k( 4) = ( 0.0319149 -0.0000000 0.0000000), wk = 0.0027701 k( 5) = ( 0.0425532 -0.0000000 0.0000000), wk = 0.0027701 k( 6) = ( 0.0531915 -0.0000000 0.0000000), wk = 0.0027701 k( 7) = ( 0.0638298 -0.0000000 0.0000000), wk = 0.0027701 k( 8) = ( 0.0744681 -0.0000000 0.0000000), wk = 0.0027701 k( 9) = ( 0.0851064 -0.0000000 0.0000000), wk = 0.0027701 k( 10) = ( 0.0957447 -0.0000000 -0.0000000), wk = 0.0027701 k( 11) = ( 0.1063830 -0.0000000 0.0000000), wk = 0.0027701 k( 12) = ( 0.1170213 -0.0000000 0.0000000), wk = 0.0027701 k( 13) = ( 0.1276596 -0.0000000 0.0000000), wk = 0.0027701 k( 14) = ( 0.1382979 -0.0000000 0.0000000), wk = 0.0027701 k( 15) = ( 0.1489362 -0.0000000 0.0000000), wk = 0.0027701 k( 16) = ( 0.1595745 -0.0000000 0.0000000), wk = 0.0027701 k( 17) = ( 0.1702128 -0.0000000 0.0000000), wk = 0.0027701 k( 18) = ( 0.1808511 -0.0000000 0.0000000), wk = 0.0027701 k( 19) = ( 0.1914894 -0.0000000 -0.0000000), wk = 0.0027701 k( 20) = ( 0.2021277 0.0000000 0.0000000), wk = 0.0027701 k( 21) = ( 0.2127660 -0.0000000 0.0000000), wk = 0.0027701 k( 22) = ( 0.2234043 -0.0000000 0.0000000), wk = 0.0027701 k( 23) = ( 0.2340425 -0.0000000 0.0000000), wk = 0.0027701 k( 24) = ( 0.2446809 -0.0000000 0.0000000), wk = 0.0027701 k( 25) = ( 0.2553191 -0.0000000 0.0000000), wk = 0.0027701 k( 26) = ( 0.2659574 -0.0000000 0.0000000), wk = 0.0027701 k( 27) = ( 0.2765957 -0.0000000 0.0000000), wk = 0.0027701 k( 28) = ( 0.2872340 -0.0000000 -0.0000000), wk = 0.0027701 k( 29) = ( 0.2978723 -0.0000000 0.0000000), wk = 0.0027701 k( 30) = ( 0.3085106 0.0000000 0.0000000), wk = 0.0027701 k( 31) = ( 0.3191489 -0.0000000 0.0000000), wk = 0.0027701 k( 32) = ( 0.3297872 0.0000000 0.0000000), wk = 0.0027701 k( 33) = ( 0.3404255 -0.0000000 -0.0000000), wk = 0.0027701 k( 34) = ( 0.3510638 -0.0000000 0.0000000), wk = 0.0027701 k( 35) = ( 0.3617021 -0.0000000 0.0000000), wk = 0.0027701 k( 36) = ( 0.3723404 -0.0000000 0.0000000), wk = 0.0027701 k( 37) = ( 0.3829787 -0.0000000 -0.0000000), wk = 0.0027701 k( 38) = ( 0.3936170 -0.0000000 0.0000000), wk = 0.0027701 k( 39) = ( 0.4042553 0.0000000 0.0000000), wk = 0.0027701 k( 40) = ( 0.4148936 0.0000000 0.0000000), wk = 0.0027701 k( 41) = ( 0.4255319 -0.0000000 0.0000000), wk = 0.0027701 k( 42) = ( 0.4361702 0.0000000 0.0000000), wk = 0.0027701 k( 43) = ( 0.4468085 0.0000000 0.0000000), wk = 0.0027701 k( 44) = ( 0.4574468 -0.0000000 -0.0000000), wk = 0.0027701 k( 45) = ( 0.4680851 -0.0000000 0.0000000), wk = 0.0027701 k( 46) = ( 0.4787234 -0.0000000 -0.0000000), wk = 0.0027701 k( 47) = ( 0.4893617 -0.0000000 0.0000000), wk = 0.0027701 k( 48) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0027701 k( 49) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0027701 k( 50) = ( 0.4938272 0.0123457 0.0000000), wk = 0.0027701 k( 51) = ( 0.4876543 0.0246914 0.0000000), wk = 0.0027701 k( 52) = ( 0.4814815 0.0370370 0.0000000), wk = 0.0027701 k( 53) = ( 0.4753086 0.0493827 0.0000000), wk = 0.0027701 k( 54) = ( 0.4691358 0.0617284 0.0000000), wk = 0.0027701 k( 55) = ( 0.4629630 0.0740741 -0.0000000), wk = 0.0027701 k( 56) = ( 0.4567901 0.0864197 0.0000000), wk = 0.0027701 k( 57) = ( 0.4506173 0.0987654 0.0000000), wk = 0.0027701 k( 58) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0027701 k( 59) = ( 0.4382716 0.1234568 0.0000000), wk = 0.0027701 k( 60) = ( 0.4320988 0.1358025 0.0000000), wk = 0.0027701 k( 61) = ( 0.4259259 0.1481481 0.0000000), wk = 0.0027701 k( 62) = ( 0.4197531 0.1604938 0.0000000), wk = 0.0027701 k( 63) = ( 0.4135802 0.1728395 -0.0000000), wk = 0.0027701 k( 64) = ( 0.4074074 0.1851852 0.0000000), wk = 0.0027701 k( 65) = ( 0.4012346 0.1975309 0.0000000), wk = 0.0027701 k( 66) = ( 0.3950617 0.2098765 0.0000000), wk = 0.0027701 k( 67) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0027701 k( 68) = ( 0.3827160 0.2345679 0.0000000), wk = 0.0027701 k( 69) = ( 0.3765432 0.2469136 0.0000000), wk = 0.0027701 k( 70) = ( 0.3703704 0.2592593 0.0000000), wk = 0.0027701 k( 71) = ( 0.3641975 0.2716049 -0.0000000), wk = 0.0027701 k( 72) = ( 0.3580247 0.2839506 0.0000000), wk = 0.0027701 k( 73) = ( 0.3518519 0.2962963 -0.0000000), wk = 0.0027701 k( 74) = ( 0.3456790 0.3086420 0.0000000), wk = 0.0027701 k( 75) = ( 0.3395062 0.3209877 0.0000000), wk = 0.0027701 k( 76) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027701 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027701 k( 78) = ( 0.3271605 0.3271605 0.0000000), wk = 0.0027701 k( 79) = ( 0.3209877 0.3209877 0.0000000), wk = 0.0027701 k( 80) = ( 0.3148148 0.3148148 0.0000000), wk = 0.0027701 k( 81) = ( 0.3086420 0.3086420 0.0000000), wk = 0.0027701 k( 82) = ( 0.3024691 0.3024691 0.0000000), wk = 0.0027701 k( 83) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0027701 k( 84) = ( 0.2901235 0.2901235 0.0000000), wk = 0.0027701 k( 85) = ( 0.2839506 0.2839506 0.0000000), wk = 0.0027701 k( 86) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0027701 k( 87) = ( 0.2716049 0.2716049 0.0000000), wk = 0.0027701 k( 88) = ( 0.2654321 0.2654321 0.0000000), wk = 0.0027701 k( 89) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0027701 k( 90) = ( 0.2530864 0.2530864 -0.0000000), wk = 0.0027701 k( 91) = ( 0.2469136 0.2469136 0.0000000), wk = 0.0027701 k( 92) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0027701 k( 93) = ( 0.2345679 0.2345679 0.0000000), wk = 0.0027701 k( 94) = ( 0.2283951 0.2283951 0.0000000), wk = 0.0027701 k( 95) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0027701 k( 96) = ( 0.2160494 0.2160494 0.0000000), wk = 0.0027701 k( 97) = ( 0.2098765 0.2098765 0.0000000), wk = 0.0027701 k( 98) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0027701 k( 99) = ( 0.1975309 0.1975309 -0.0000000), wk = 0.0027701 k( 100) = ( 0.1913580 0.1913580 0.0000000), wk = 0.0027701 k( 101) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0027701 k( 102) = ( 0.1790123 0.1790123 -0.0000000), wk = 0.0027701 k( 103) = ( 0.1728395 0.1728395 0.0000000), wk = 0.0027701 k( 104) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0027701 k( 105) = ( 0.1604938 0.1604938 -0.0000000), wk = 0.0027701 k( 106) = ( 0.1543210 0.1543210 0.0000000), wk = 0.0027701 k( 107) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0027701 k( 108) = ( 0.1419753 0.1419753 0.0000000), wk = 0.0027701 k( 109) = ( 0.1358025 0.1358025 0.0000000), wk = 0.0027701 k( 110) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0027701 k( 111) = ( 0.1234568 0.1234568 0.0000000), wk = 0.0027701 k( 112) = ( 0.1172839 0.1172839 0.0000000), wk = 0.0027701 k( 113) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0027701 k( 114) = ( 0.1049383 0.1049383 0.0000000), wk = 0.0027701 k( 115) = ( 0.0987654 0.0987654 -0.0000000), wk = 0.0027701 k( 116) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0027701 k( 117) = ( 0.0864198 0.0864197 0.0000000), wk = 0.0027701 k( 118) = ( 0.0802469 0.0802469 0.0000000), wk = 0.0027701 k( 119) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0027701 k( 120) = ( 0.0679012 0.0679012 0.0000000), wk = 0.0027701 k( 121) = ( 0.0617284 0.0617284 0.0000000), wk = 0.0027701 k( 122) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0027701 k( 123) = ( 0.0493827 0.0493827 0.0000000), wk = 0.0027701 k( 124) = ( 0.0432099 0.0432099 0.0000000), wk = 0.0027701 k( 125) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0027701 k( 126) = ( 0.0308642 0.0308642 0.0000000), wk = 0.0027701 k( 127) = ( 0.0246914 0.0246914 0.0000000), wk = 0.0027701 k( 128) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0027701 k( 129) = ( 0.0123457 0.0123457 0.0000000), wk = 0.0027701 k( 130) = ( 0.0061728 0.0061728 0.0000000), wk = 0.0027701 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 133) = ( 0.0000000 0.0000000 0.0156250), wk = 0.0027701 k( 134) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0027701 k( 135) = ( 0.0000000 0.0000000 0.0468750), wk = 0.0027701 k( 136) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0027701 k( 137) = ( 0.0000000 0.0000000 0.0781250), wk = 0.0027701 k( 138) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0027701 k( 139) = ( 0.0000000 0.0000000 0.1093750), wk = 0.0027701 k( 140) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0027701 k( 141) = ( 0.0000000 0.0000000 0.1406250), wk = 0.0027701 k( 142) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0027701 k( 143) = ( 0.0000000 0.0000000 0.1718750), wk = 0.0027701 k( 144) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0027701 k( 145) = ( 0.0000000 0.0000000 0.2031250), wk = 0.0027701 k( 146) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0027701 k( 147) = ( 0.0000000 0.0000000 0.2343750), wk = 0.0027701 k( 148) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027701 k( 149) = ( 0.0000000 0.0000000 0.2656250), wk = 0.0027701 k( 150) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0027701 k( 151) = ( 0.0000000 0.0000000 0.2968750), wk = 0.0027701 k( 152) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0027701 k( 153) = ( 0.0000000 0.0000000 0.3281250), wk = 0.0027701 k( 154) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0027701 k( 155) = ( 0.0000000 0.0000000 0.3593750), wk = 0.0027701 k( 156) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0027701 k( 157) = ( 0.0000000 0.0000000 0.3906250), wk = 0.0027701 k( 158) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0027701 k( 159) = ( 0.0000000 0.0000000 0.4218750), wk = 0.0027701 k( 160) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0027701 k( 161) = ( 0.0000000 0.0000000 0.4531250), wk = 0.0027701 k( 162) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0027701 k( 163) = ( 0.0000000 0.0000000 0.4843750), wk = 0.0027701 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 166) = ( 0.0106383 -0.0000000 0.5000000), wk = 0.0027701 k( 167) = ( 0.0212766 -0.0000000 0.5000000), wk = 0.0027701 k( 168) = ( 0.0319149 -0.0000000 0.5000000), wk = 0.0027701 k( 169) = ( 0.0425532 -0.0000000 0.5000000), wk = 0.0027701 k( 170) = ( 0.0531915 -0.0000000 0.5000000), wk = 0.0027701 k( 171) = ( 0.0638298 -0.0000000 0.5000000), wk = 0.0027701 k( 172) = ( 0.0744681 -0.0000000 0.5000000), wk = 0.0027701 k( 173) = ( 0.0851064 -0.0000000 0.5000000), wk = 0.0027701 k( 174) = ( 0.0957447 -0.0000000 0.5000000), wk = 0.0027701 k( 175) = ( 0.1063830 -0.0000000 0.5000000), wk = 0.0027701 k( 176) = ( 0.1170213 -0.0000000 0.5000000), wk = 0.0027701 k( 177) = ( 0.1276596 -0.0000000 0.5000000), wk = 0.0027701 k( 178) = ( 0.1382979 -0.0000000 0.5000000), wk = 0.0027701 k( 179) = ( 0.1489362 -0.0000000 0.5000000), wk = 0.0027701 k( 180) = ( 0.1595745 -0.0000000 0.5000000), wk = 0.0027701 k( 181) = ( 0.1702128 -0.0000000 0.5000000), wk = 0.0027701 k( 182) = ( 0.1808511 -0.0000000 0.5000000), wk = 0.0027701 k( 183) = ( 0.1914894 -0.0000000 0.5000000), wk = 0.0027701 k( 184) = ( 0.2021277 0.0000000 0.5000000), wk = 0.0027701 k( 185) = ( 0.2127660 -0.0000000 0.5000000), wk = 0.0027701 k( 186) = ( 0.2234043 -0.0000000 0.5000000), wk = 0.0027701 k( 187) = ( 0.2340425 -0.0000000 0.5000000), wk = 0.0027701 k( 188) = ( 0.2446809 -0.0000000 0.5000000), wk = 0.0027701 k( 189) = ( 0.2553191 -0.0000000 0.5000000), wk = 0.0027701 k( 190) = ( 0.2659574 -0.0000000 0.5000000), wk = 0.0027701 k( 191) = ( 0.2765957 -0.0000000 0.5000000), wk = 0.0027701 k( 192) = ( 0.2872340 -0.0000000 0.5000000), wk = 0.0027701 k( 193) = ( 0.2978723 -0.0000000 0.5000000), wk = 0.0027701 k( 194) = ( 0.3085106 0.0000000 0.5000000), wk = 0.0027701 k( 195) = ( 0.3191489 -0.0000000 0.5000000), wk = 0.0027701 k( 196) = ( 0.3297872 0.0000000 0.5000000), wk = 0.0027701 k( 197) = ( 0.3404255 -0.0000000 0.5000000), wk = 0.0027701 k( 198) = ( 0.3510638 -0.0000000 0.5000000), wk = 0.0027701 k( 199) = ( 0.3617021 -0.0000000 0.5000000), wk = 0.0027701 k( 200) = ( 0.3723404 -0.0000000 0.5000000), wk = 0.0027701 k( 201) = ( 0.3829787 -0.0000000 0.5000000), wk = 0.0027701 k( 202) = ( 0.3936170 -0.0000000 0.5000000), wk = 0.0027701 k( 203) = ( 0.4042553 0.0000000 0.5000000), wk = 0.0027701 k( 204) = ( 0.4148936 0.0000000 0.5000000), wk = 0.0027701 k( 205) = ( 0.4255319 -0.0000000 0.5000000), wk = 0.0027701 k( 206) = ( 0.4361702 0.0000000 0.5000000), wk = 0.0027701 k( 207) = ( 0.4468085 0.0000000 0.5000000), wk = 0.0027701 k( 208) = ( 0.4574468 -0.0000000 0.5000000), wk = 0.0027701 k( 209) = ( 0.4680851 -0.0000000 0.5000000), wk = 0.0027701 k( 210) = ( 0.4787234 -0.0000000 0.5000000), wk = 0.0027701 k( 211) = ( 0.4893617 -0.0000000 0.5000000), wk = 0.0027701 k( 212) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027701 k( 213) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027701 k( 214) = ( 0.4938272 0.0123457 0.5000000), wk = 0.0027701 k( 215) = ( 0.4876543 0.0246914 0.5000000), wk = 0.0027701 k( 216) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0027701 k( 217) = ( 0.4753086 0.0493827 0.5000000), wk = 0.0027701 k( 218) = ( 0.4691358 0.0617284 0.5000000), wk = 0.0027701 k( 219) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0027701 k( 220) = ( 0.4567901 0.0864197 0.5000000), wk = 0.0027701 k( 221) = ( 0.4506173 0.0987654 0.5000000), wk = 0.0027701 k( 222) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0027701 k( 223) = ( 0.4382716 0.1234568 0.5000000), wk = 0.0027701 k( 224) = ( 0.4320988 0.1358025 0.5000000), wk = 0.0027701 k( 225) = ( 0.4259259 0.1481481 0.5000000), wk = 0.0027701 k( 226) = ( 0.4197531 0.1604938 0.5000000), wk = 0.0027701 k( 227) = ( 0.4135802 0.1728395 0.5000000), wk = 0.0027701 k( 228) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0027701 k( 229) = ( 0.4012346 0.1975309 0.5000000), wk = 0.0027701 k( 230) = ( 0.3950617 0.2098765 0.5000000), wk = 0.0027701 k( 231) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0027701 k( 232) = ( 0.3827160 0.2345679 0.5000000), wk = 0.0027701 k( 233) = ( 0.3765432 0.2469136 0.5000000), wk = 0.0027701 k( 234) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0027701 k( 235) = ( 0.3641975 0.2716049 0.5000000), wk = 0.0027701 k( 236) = ( 0.3580247 0.2839506 0.5000000), wk = 0.0027701 k( 237) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0027701 k( 238) = ( 0.3456790 0.3086420 0.5000000), wk = 0.0027701 k( 239) = ( 0.3395062 0.3209877 0.5000000), wk = 0.0027701 k( 240) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027701 k( 241) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027701 k( 242) = ( 0.3271605 0.3271605 0.5000000), wk = 0.0027701 k( 243) = ( 0.3209877 0.3209877 0.5000000), wk = 0.0027701 k( 244) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0027701 k( 245) = ( 0.3086420 0.3086420 0.5000000), wk = 0.0027701 k( 246) = ( 0.3024691 0.3024691 0.5000000), wk = 0.0027701 k( 247) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0027701 k( 248) = ( 0.2901235 0.2901235 0.5000000), wk = 0.0027701 k( 249) = ( 0.2839506 0.2839506 0.5000000), wk = 0.0027701 k( 250) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0027701 k( 251) = ( 0.2716049 0.2716049 0.5000000), wk = 0.0027701 k( 252) = ( 0.2654321 0.2654321 0.5000000), wk = 0.0027701 k( 253) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0027701 k( 254) = ( 0.2530864 0.2530864 0.5000000), wk = 0.0027701 k( 255) = ( 0.2469136 0.2469136 0.5000000), wk = 0.0027701 k( 256) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0027701 k( 257) = ( 0.2345679 0.2345679 0.5000000), wk = 0.0027701 k( 258) = ( 0.2283951 0.2283951 0.5000000), wk = 0.0027701 k( 259) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0027701 k( 260) = ( 0.2160494 0.2160494 0.5000000), wk = 0.0027701 k( 261) = ( 0.2098765 0.2098765 0.5000000), wk = 0.0027701 k( 262) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0027701 k( 263) = ( 0.1975309 0.1975309 0.5000000), wk = 0.0027701 k( 264) = ( 0.1913580 0.1913580 0.5000000), wk = 0.0027701 k( 265) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0027701 k( 266) = ( 0.1790123 0.1790123 0.5000000), wk = 0.0027701 k( 267) = ( 0.1728395 0.1728395 0.5000000), wk = 0.0027701 k( 268) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027701 k( 269) = ( 0.1604938 0.1604938 0.5000000), wk = 0.0027701 k( 270) = ( 0.1543210 0.1543210 0.5000000), wk = 0.0027701 k( 271) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0027701 k( 272) = ( 0.1419753 0.1419753 0.5000000), wk = 0.0027701 k( 273) = ( 0.1358025 0.1358025 0.5000000), wk = 0.0027701 k( 274) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0027701 k( 275) = ( 0.1234568 0.1234568 0.5000000), wk = 0.0027701 k( 276) = ( 0.1172839 0.1172839 0.5000000), wk = 0.0027701 k( 277) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0027701 k( 278) = ( 0.1049383 0.1049383 0.5000000), wk = 0.0027701 k( 279) = ( 0.0987654 0.0987654 0.5000000), wk = 0.0027701 k( 280) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0027701 k( 281) = ( 0.0864198 0.0864197 0.5000000), wk = 0.0027701 k( 282) = ( 0.0802469 0.0802469 0.5000000), wk = 0.0027701 k( 283) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0027701 k( 284) = ( 0.0679012 0.0679012 0.5000000), wk = 0.0027701 k( 285) = ( 0.0617284 0.0617284 0.5000000), wk = 0.0027701 k( 286) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0027701 k( 287) = ( 0.0493827 0.0493827 0.5000000), wk = 0.0027701 k( 288) = ( 0.0432099 0.0432099 0.5000000), wk = 0.0027701 k( 289) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0027701 k( 290) = ( 0.0308642 0.0308642 0.5000000), wk = 0.0027701 k( 291) = ( 0.0246914 0.0246914 0.5000000), wk = 0.0027701 k( 292) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0027701 k( 293) = ( 0.0123457 0.0123457 0.5000000), wk = 0.0027701 k( 294) = ( 0.0061728 0.0061728 0.5000000), wk = 0.0027701 k( 295) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 296) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027701 k( 297) = ( 0.5000000 -0.0000000 0.4843750), wk = 0.0027701 k( 298) = ( 0.5000000 -0.0000000 0.4687500), wk = 0.0027701 k( 299) = ( 0.5000000 -0.0000000 0.4531250), wk = 0.0027701 k( 300) = ( 0.5000000 -0.0000000 0.4375000), wk = 0.0027701 k( 301) = ( 0.5000000 -0.0000000 0.4218750), wk = 0.0027701 k( 302) = ( 0.5000000 -0.0000000 0.4062500), wk = 0.0027701 k( 303) = ( 0.5000000 -0.0000000 0.3906250), wk = 0.0027701 k( 304) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0027701 k( 305) = ( 0.5000000 -0.0000000 0.3593750), wk = 0.0027701 k( 306) = ( 0.5000000 -0.0000000 0.3437500), wk = 0.0027701 k( 307) = ( 0.5000000 -0.0000000 0.3281250), wk = 0.0027701 k( 308) = ( 0.5000000 -0.0000000 0.3125000), wk = 0.0027701 k( 309) = ( 0.5000000 -0.0000000 0.2968750), wk = 0.0027701 k( 310) = ( 0.5000000 -0.0000000 0.2812500), wk = 0.0027701 k( 311) = ( 0.5000000 -0.0000000 0.2656250), wk = 0.0027701 k( 312) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0027701 k( 313) = ( 0.5000000 -0.0000000 0.2343750), wk = 0.0027701 k( 314) = ( 0.5000000 -0.0000000 0.2187500), wk = 0.0027701 k( 315) = ( 0.5000000 -0.0000000 0.2031250), wk = 0.0027701 k( 316) = ( 0.5000000 -0.0000000 0.1875000), wk = 0.0027701 k( 317) = ( 0.5000000 -0.0000000 0.1718750), wk = 0.0027701 k( 318) = ( 0.5000000 -0.0000000 0.1562500), wk = 0.0027701 k( 319) = ( 0.5000000 -0.0000000 0.1406250), wk = 0.0027701 k( 320) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0027701 k( 321) = ( 0.5000000 -0.0000000 0.1093750), wk = 0.0027701 k( 322) = ( 0.5000000 -0.0000000 0.0937500), wk = 0.0027701 k( 323) = ( 0.5000000 -0.0000000 0.0781250), wk = 0.0027701 k( 324) = ( 0.5000000 -0.0000000 0.0625000), wk = 0.0027701 k( 325) = ( 0.5000000 -0.0000000 0.0468750), wk = 0.0027701 k( 326) = ( 0.5000000 -0.0000000 0.0312500), wk = 0.0027701 k( 327) = ( 0.5000000 -0.0000000 0.0156250), wk = 0.0027701 k( 328) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0027701 k( 329) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027701 k( 330) = ( 0.3333333 0.3333333 0.0156250), wk = 0.0027701 k( 331) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0027701 k( 332) = ( 0.3333333 0.3333333 0.0468750), wk = 0.0027701 k( 333) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0027701 k( 334) = ( 0.3333333 0.3333333 0.0781250), wk = 0.0027701 k( 335) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0027701 k( 336) = ( 0.3333333 0.3333333 0.1093750), wk = 0.0027701 k( 337) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0027701 k( 338) = ( 0.3333333 0.3333333 0.1406250), wk = 0.0027701 k( 339) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0027701 k( 340) = ( 0.3333333 0.3333333 0.1718750), wk = 0.0027701 k( 341) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0027701 k( 342) = ( 0.3333333 0.3333333 0.2031250), wk = 0.0027701 k( 343) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0027701 k( 344) = ( 0.3333333 0.3333333 0.2343750), wk = 0.0027701 k( 345) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0027701 k( 346) = ( 0.3333333 0.3333333 0.2656250), wk = 0.0027701 k( 347) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0027701 k( 348) = ( 0.3333333 0.3333333 0.2968750), wk = 0.0027701 k( 349) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0027701 k( 350) = ( 0.3333333 0.3333333 0.3281250), wk = 0.0027701 k( 351) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0027701 k( 352) = ( 0.3333333 0.3333333 0.3593750), wk = 0.0027701 k( 353) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0027701 k( 354) = ( 0.3333333 0.3333333 0.3906250), wk = 0.0027701 k( 355) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0027701 k( 356) = ( 0.3333333 0.3333333 0.4218750), wk = 0.0027701 k( 357) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0027701 k( 358) = ( 0.3333333 0.3333333 0.4531250), wk = 0.0027701 k( 359) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0027701 k( 360) = ( 0.3333333 0.3333333 0.4843750), wk = 0.0027701 k( 361) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027701 Dense grid: 43277 G-vectors FFT dimensions: ( 45, 45, 54) Smooth grid: 18791 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 128, 48) NL pseudopotentials 0.13 Mb ( 64, 130) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1202) G-vector shells 0.00 Mb ( 555) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 128, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.19 Mb ( 130, 2, 48) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./Ca3N2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 6.4 secs Computing kpt #: 6 total cpu time spent up to now is 7.1 secs Computing kpt #: 7 total cpu time spent up to now is 7.8 secs Computing kpt #: 8 total cpu time spent up to now is 8.4 secs Computing kpt #: 9 total cpu time spent up to now is 9.1 secs Computing kpt #: 10 total cpu time spent up to now is 9.7 secs Computing kpt #: 11 total cpu time spent up to now is 10.3 secs Computing kpt #: 12 total cpu time spent up to now is 10.9 secs Computing kpt #: 13 total cpu time spent up to now is 11.5 secs Computing kpt #: 14 total cpu time spent up to now is 12.1 secs Computing kpt #: 15 total cpu time spent up to now is 12.7 secs Computing kpt #: 16 total cpu time spent up to now is 13.2 secs Computing kpt #: 17 total cpu time spent up to now is 13.8 secs Computing kpt #: 18 total cpu time spent up to now is 14.3 secs Computing kpt #: 19 total cpu time spent up to now is 14.9 secs Computing kpt #: 20 total cpu time spent up to now is 15.4 secs Computing kpt #: 21 total cpu time spent up to now is 15.8 secs Computing kpt #: 22 total cpu time spent up to now is 16.4 secs Computing kpt #: 23 total cpu time spent up to now is 16.9 secs Computing kpt #: 24 total cpu time spent up to now is 17.4 secs Computing kpt #: 25 total cpu time spent up to now is 18.0 secs Computing kpt #: 26 total cpu time spent up to now is 18.5 secs Computing kpt #: 27 total cpu time spent up to now is 19.0 secs Computing kpt #: 28 total cpu time spent up to now is 19.5 secs Computing kpt #: 29 total cpu time spent up to now is 20.1 secs Computing kpt #: 30 total cpu time spent up to now is 20.7 secs Computing kpt #: 31 total cpu time spent up to now is 21.2 secs Computing kpt #: 32 total cpu time spent up to now is 21.8 secs Computing kpt #: 33 total cpu time spent up to now is 22.4 secs Computing kpt #: 34 total cpu time spent up to now is 23.0 secs Computing kpt #: 35 total cpu time spent up to now is 23.6 secs Computing kpt #: 36 total cpu time spent up to now is 24.2 secs Computing kpt #: 37 total cpu time spent up to now is 24.8 secs Computing kpt #: 38 total cpu time spent up to now is 25.4 secs Computing kpt #: 39 total cpu time spent up to now is 26.0 secs Computing kpt #: 40 total cpu time spent up to now is 26.7 secs Computing kpt #: 41 total cpu time spent up to now is 27.3 secs Computing kpt #: 42 total cpu time spent up to now is 27.9 secs Computing kpt #: 43 total cpu time spent up to now is 28.5 secs Computing kpt #: 44 total cpu time spent up to now is 29.2 secs Computing kpt #: 45 total cpu time spent up to now is 29.8 secs Computing kpt #: 46 total cpu time spent up to now is 30.4 secs Computing kpt #: 47 total cpu time spent up to now is 31.0 secs Computing kpt #: 48 total cpu time spent up to now is 31.6 secs Computing kpt #: 49 total cpu time spent up to now is 32.2 secs Computing kpt #: 50 total cpu time spent up to now is 32.8 secs Computing kpt #: 51 total cpu time spent up to now is 33.4 secs Computing kpt #: 52 total cpu time spent up to now is 34.0 secs Computing kpt #: 53 total cpu time spent up to now is 34.7 secs Computing kpt #: 54 total cpu time spent up to now is 35.3 secs Computing kpt #: 55 total cpu time spent up to now is 35.9 secs Computing kpt #: 56 total cpu time spent up to now is 36.6 secs Computing kpt #: 57 total cpu time spent up to now is 37.2 secs Computing kpt #: 58 total cpu time spent up to now is 37.8 secs Computing kpt #: 59 total cpu time spent up to now is 38.5 secs Computing kpt #: 60 total cpu time spent up to now is 39.2 secs Computing kpt #: 61 total cpu time spent up to now is 39.8 secs Computing kpt #: 62 total cpu time spent up to now is 40.5 secs Computing kpt #: 63 total cpu time spent up to now is 41.2 secs Computing kpt #: 64 total cpu time spent up to now is 41.8 secs Computing kpt #: 65 total cpu time spent up to now is 42.6 secs Computing kpt #: 66 total cpu time spent up to now is 43.3 secs Computing kpt #: 67 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 44.5 secs Computing kpt #: 68 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 45.8 secs Computing kpt #: 69 total cpu time spent up to now is 46.5 secs Computing kpt #: 70 total cpu time spent up to now is 47.2 secs Computing kpt #: 71 total cpu time spent up to now is 47.8 secs Computing kpt #: 72 total cpu time spent up to now is 48.4 secs Computing kpt #: 73 total cpu time spent up to now is 49.0 secs Computing kpt #: 74 total cpu time spent up to now is 49.7 secs Computing kpt #: 75 total cpu time spent up to now is 50.3 secs Computing kpt #: 76 total cpu time spent up to now is 51.0 secs Computing kpt #: 77 total cpu time spent up to now is 51.5 secs Computing kpt #: 78 total cpu time spent up to now is 52.2 secs Computing kpt #: 79 total cpu time spent up to now is 52.8 secs Computing kpt #: 80 total cpu time spent up to now is 53.4 secs Computing kpt #: 81 total cpu time spent up to now is 54.0 secs Computing kpt #: 82 total cpu time spent up to now is 54.7 secs Computing kpt #: 83 total cpu time spent up to now is 55.6 secs Computing kpt #: 84 total cpu time spent up to now is 56.3 secs Computing kpt #: 85 total cpu time spent up to now is 57.1 secs Computing kpt #: 86 total cpu time spent up to now is 57.8 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 59.0 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 60.2 secs Computing kpt #: 89 total cpu time spent up to now is 61.5 secs Computing kpt #: 90 total cpu time spent up to now is 62.5 secs Computing kpt #: 91 total cpu time spent up to now is 63.5 secs Computing kpt #: 92 total cpu time spent up to now is 64.4 secs Computing kpt #: 93 total cpu time spent up to now is 65.3 secs Computing kpt #: 94 total cpu time spent up to now is 66.0 secs Computing kpt #: 95 total cpu time spent up to now is 66.7 secs Computing kpt #: 96 total cpu time spent up to now is 67.4 secs Computing kpt #: 97 total cpu time spent up to now is 68.1 secs Computing kpt #: 98 total cpu time spent up to now is 68.8 secs Computing kpt #: 99 total cpu time spent up to now is 69.4 secs Computing kpt #: 100 total cpu time spent up to now is 70.1 secs Computing kpt #: 101 total cpu time spent up to now is 70.7 secs Computing kpt #: 102 total cpu time spent up to now is 71.3 secs Computing kpt #: 103 total cpu time spent up to now is 71.9 secs Computing kpt #: 104 total cpu time spent up to now is 72.5 secs Computing kpt #: 105 total cpu time spent up to now is 73.1 secs Computing kpt #: 106 total cpu time spent up to now is 73.7 secs Computing kpt #: 107 total cpu time spent up to now is 74.2 secs Computing kpt #: 108 total cpu time spent up to now is 74.7 secs Computing kpt #: 109 total cpu time spent up to now is 75.3 secs Computing kpt #: 110 total cpu time spent up to now is 75.8 secs Computing kpt #: 111 total cpu time spent up to now is 76.3 secs Computing kpt #: 112 total cpu time spent up to now is 76.8 secs Computing kpt #: 113 total cpu time spent up to now is 77.4 secs Computing kpt #: 114 total cpu time spent up to now is 77.9 secs Computing kpt #: 115 total cpu time spent up to now is 78.4 secs Computing kpt #: 116 total cpu time spent up to now is 78.9 secs Computing kpt #: 117 total cpu time spent up to now is 79.4 secs Computing kpt #: 118 total cpu time spent up to now is 79.9 secs Computing kpt #: 119 total cpu time spent up to now is 80.4 secs Computing kpt #: 120 total cpu time spent up to now is 81.0 secs Computing kpt #: 121 total cpu time spent up to now is 81.6 secs Computing kpt #: 122 total cpu time spent up to now is 82.3 secs Computing kpt #: 123 total cpu time spent up to now is 82.9 secs Computing kpt #: 124 total cpu time spent up to now is 83.5 secs Computing kpt #: 125 total cpu time spent up to now is 84.2 secs Computing kpt #: 126 total cpu time spent up to now is 84.9 secs Computing kpt #: 127 total cpu time spent up to now is 85.6 secs Computing kpt #: 128 total cpu time spent up to now is 86.4 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 87.6 secs Computing kpt #: 130 total cpu time spent up to now is 88.4 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.6 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.7 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 91.9 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.1 secs Computing kpt #: 135 total cpu time spent up to now is 94.1 secs Computing kpt #: 136 total cpu time spent up to now is 94.8 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.0 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 97.2 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 98.4 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 99.6 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 100.8 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 102.0 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 103.2 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 104.4 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 105.5 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 106.7 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 107.9 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 109.1 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 110.3 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 111.6 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 112.8 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 114.0 secs Computing kpt #: 153 total cpu time spent up to now is 114.7 secs Computing kpt #: 154 total cpu time spent up to now is 115.3 secs Computing kpt #: 155 total cpu time spent up to now is 116.0 secs Computing kpt #: 156 total cpu time spent up to now is 116.6 secs Computing kpt #: 157 total cpu time spent up to now is 117.2 secs Computing kpt #: 158 total cpu time spent up to now is 117.8 secs Computing kpt #: 159 total cpu time spent up to now is 118.4 secs Computing kpt #: 160 total cpu time spent up to now is 119.0 secs Computing kpt #: 161 total cpu time spent up to now is 119.6 secs Computing kpt #: 162 total cpu time spent up to now is 120.2 secs Computing kpt #: 163 total cpu time spent up to now is 120.8 secs Computing kpt #: 164 total cpu time spent up to now is 121.3 secs Computing kpt #: 165 total cpu time spent up to now is 121.9 secs Computing kpt #: 166 total cpu time spent up to now is 122.5 secs Computing kpt #: 167 total cpu time spent up to now is 123.1 secs Computing kpt #: 168 total cpu time spent up to now is 123.6 secs Computing kpt #: 169 total cpu time spent up to now is 124.2 secs Computing kpt #: 170 total cpu time spent up to now is 124.8 secs Computing kpt #: 171 total cpu time spent up to now is 125.4 secs Computing kpt #: 172 total cpu time spent up to now is 125.9 secs Computing kpt #: 173 total cpu time spent up to now is 126.5 secs Computing kpt #: 174 total cpu time spent up to now is 127.0 secs Computing kpt #: 175 total cpu time spent up to now is 127.6 secs Computing kpt #: 176 total cpu time spent up to now is 128.1 secs Computing kpt #: 177 total cpu time spent up to now is 128.7 secs Computing kpt #: 178 total cpu time spent up to now is 129.2 secs Computing kpt #: 179 total cpu time spent up to now is 130.0 secs Computing kpt #: 180 total cpu time spent up to now is 130.5 secs Computing kpt #: 181 total cpu time spent up to now is 131.1 secs Computing kpt #: 182 total cpu time spent up to now is 131.6 secs Computing kpt #: 183 total cpu time spent up to now is 132.2 secs Computing kpt #: 184 total cpu time spent up to now is 132.7 secs Computing kpt #: 185 total cpu time spent up to now is 133.3 secs Computing kpt #: 186 total cpu time spent up to now is 133.8 secs Computing kpt #: 187 total cpu time spent up to now is 134.3 secs Computing kpt #: 188 total cpu time spent up to now is 134.8 secs Computing kpt #: 189 total cpu time spent up to now is 135.3 secs Computing kpt #: 190 total cpu time spent up to now is 135.8 secs Computing kpt #: 191 total cpu time spent up to now is 136.3 secs Computing kpt #: 192 total cpu time spent up to now is 136.8 secs Computing kpt #: 193 total cpu time spent up to now is 137.3 secs Computing kpt #: 194 total cpu time spent up to now is 137.7 secs Computing kpt #: 195 total cpu time spent up to now is 138.3 secs Computing kpt #: 196 total cpu time spent up to now is 138.8 secs Computing kpt #: 197 total cpu time spent up to now is 139.3 secs Computing kpt #: 198 total cpu time spent up to now is 139.8 secs Computing kpt #: 199 total cpu time spent up to now is 140.3 secs Computing kpt #: 200 total cpu time spent up to now is 140.8 secs Computing kpt #: 201 total cpu time spent up to now is 141.2 secs Computing kpt #: 202 total cpu time spent up to now is 141.7 secs Computing kpt #: 203 total cpu time spent up to now is 142.3 secs Computing kpt #: 204 total cpu time spent up to now is 142.8 secs Computing kpt #: 205 total cpu time spent up to now is 143.4 secs Computing kpt #: 206 total cpu time spent up to now is 143.8 secs Computing kpt #: 207 total cpu time spent up to now is 144.5 secs Computing kpt #: 208 total cpu time spent up to now is 145.1 secs Computing kpt #: 209 total cpu time spent up to now is 145.7 secs Computing kpt #: 210 total cpu time spent up to now is 146.3 secs Computing kpt #: 211 total cpu time spent up to now is 147.0 secs Computing kpt #: 212 total cpu time spent up to now is 147.6 secs Computing kpt #: 213 total cpu time spent up to now is 148.2 secs Computing kpt #: 214 total cpu time spent up to now is 148.9 secs Computing kpt #: 215 total cpu time spent up to now is 149.5 secs Computing kpt #: 216 total cpu time spent up to now is 150.2 secs Computing kpt #: 217 total cpu time spent up to now is 150.8 secs Computing kpt #: 218 total cpu time spent up to now is 151.5 secs Computing kpt #: 219 total cpu time spent up to now is 152.1 secs Computing kpt #: 220 total cpu time spent up to now is 152.8 secs Computing kpt #: 221 total cpu time spent up to now is 153.5 secs Computing kpt #: 222 total cpu time spent up to now is 154.3 secs Computing kpt #: 223 total cpu time spent up to now is 155.1 secs Computing kpt #: 224 total cpu time spent up to now is 155.7 secs Computing kpt #: 225 total cpu time spent up to now is 156.5 secs Computing kpt #: 226 total cpu time spent up to now is 157.2 secs Computing kpt #: 227 total cpu time spent up to now is 158.0 secs Computing kpt #: 228 total cpu time spent up to now is 158.7 secs Computing kpt #: 229 total cpu time spent up to now is 159.4 secs Computing kpt #: 230 total cpu time spent up to now is 160.1 secs Computing kpt #: 231 total cpu time spent up to now is 160.7 secs Computing kpt #: 232 total cpu time spent up to now is 161.4 secs Computing kpt #: 233 total cpu time spent up to now is 162.1 secs Computing kpt #: 234 total cpu time spent up to now is 162.8 secs Computing kpt #: 235 total cpu time spent up to now is 163.4 secs Computing kpt #: 236 total cpu time spent up to now is 164.1 secs Computing kpt #: 237 total cpu time spent up to now is 164.7 secs Computing kpt #: 238 total cpu time spent up to now is 165.4 secs Computing kpt #: 239 total cpu time spent up to now is 166.1 secs Computing kpt #: 240 total cpu time spent up to now is 166.7 secs Computing kpt #: 241 total cpu time spent up to now is 167.4 secs Computing kpt #: 242 total cpu time spent up to now is 168.0 secs Computing kpt #: 243 total cpu time spent up to now is 168.6 secs Computing kpt #: 244 total cpu time spent up to now is 169.2 secs Computing kpt #: 245 total cpu time spent up to now is 169.8 secs Computing kpt #: 246 total cpu time spent up to now is 170.5 secs Computing kpt #: 247 total cpu time spent up to now is 171.1 secs Computing kpt #: 248 total cpu time spent up to now is 171.7 secs Computing kpt #: 249 total cpu time spent up to now is 172.4 secs Computing kpt #: 250 total cpu time spent up to now is 173.0 secs Computing kpt #: 251 total cpu time spent up to now is 173.6 secs Computing kpt #: 252 total cpu time spent up to now is 174.2 secs Computing kpt #: 253 total cpu time spent up to now is 174.8 secs Computing kpt #: 254 total cpu time spent up to now is 175.4 secs Computing kpt #: 255 total cpu time spent up to now is 176.1 secs Computing kpt #: 256 total cpu time spent up to now is 176.7 secs Computing kpt #: 257 total cpu time spent up to now is 177.4 secs Computing kpt #: 258 total cpu time spent up to now is 178.1 secs Computing kpt #: 259 total cpu time spent up to now is 178.8 secs Computing kpt #: 260 total cpu time spent up to now is 179.6 secs Computing kpt #: 261 total cpu time spent up to now is 180.5 secs Computing kpt #: 262 total cpu time spent up to now is 181.3 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 182.5 secs Computing kpt #: 264 total cpu time spent up to now is 183.6 secs Computing kpt #: 265 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 184.8 secs Computing kpt #: 266 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 186.0 secs Computing kpt #: 267 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 187.3 secs Computing kpt #: 268 total cpu time spent up to now is 188.4 secs Computing kpt #: 269 total cpu time spent up to now is 189.4 secs Computing kpt #: 270 total cpu time spent up to now is 190.6 secs Computing kpt #: 271 total cpu time spent up to now is 191.6 secs Computing kpt #: 272 total cpu time spent up to now is 192.4 secs Computing kpt #: 273 total cpu time spent up to now is 193.1 secs Computing kpt #: 274 total cpu time spent up to now is 193.8 secs Computing kpt #: 275 total cpu time spent up to now is 194.5 secs Computing kpt #: 276 total cpu time spent up to now is 195.1 secs Computing kpt #: 277 total cpu time spent up to now is 195.8 secs Computing kpt #: 278 total cpu time spent up to now is 196.4 secs Computing kpt #: 279 total cpu time spent up to now is 197.0 secs Computing kpt #: 280 total cpu time spent up to now is 197.6 secs Computing kpt #: 281 total cpu time spent up to now is 198.2 secs Computing kpt #: 282 total cpu time spent up to now is 198.8 secs Computing kpt #: 283 total cpu time spent up to now is 199.4 secs Computing kpt #: 284 total cpu time spent up to now is 200.0 secs Computing kpt #: 285 total cpu time spent up to now is 200.5 secs Computing kpt #: 286 total cpu time spent up to now is 201.1 secs Computing kpt #: 287 total cpu time spent up to now is 201.9 secs Computing kpt #: 288 total cpu time spent up to now is 202.4 secs Computing kpt #: 289 total cpu time spent up to now is 203.0 secs Computing kpt #: 290 total cpu time spent up to now is 203.6 secs Computing kpt #: 291 total cpu time spent up to now is 204.2 secs Computing kpt #: 292 total cpu time spent up to now is 204.8 secs Computing kpt #: 293 total cpu time spent up to now is 205.3 secs Computing kpt #: 294 total cpu time spent up to now is 205.9 secs Computing kpt #: 295 total cpu time spent up to now is 206.5 secs Computing kpt #: 296 total cpu time spent up to now is 207.1 secs Computing kpt #: 297 total cpu time spent up to now is 207.8 secs Computing kpt #: 298 total cpu time spent up to now is 208.4 secs Computing kpt #: 299 total cpu time spent up to now is 209.1 secs Computing kpt #: 300 total cpu time spent up to now is 209.7 secs Computing kpt #: 301 total cpu time spent up to now is 210.4 secs Computing kpt #: 302 total cpu time spent up to now is 211.0 secs Computing kpt #: 303 total cpu time spent up to now is 211.6 secs Computing kpt #: 304 total cpu time spent up to now is 212.3 secs Computing kpt #: 305 total cpu time spent up to now is 212.9 secs Computing kpt #: 306 total cpu time spent up to now is 213.6 secs Computing kpt #: 307 total cpu time spent up to now is 214.2 secs Computing kpt #: 308 total cpu time spent up to now is 214.8 secs Computing kpt #: 309 total cpu time spent up to now is 215.4 secs Computing kpt #: 310 total cpu time spent up to now is 216.0 secs Computing kpt #: 311 total cpu time spent up to now is 216.6 secs Computing kpt #: 312 total cpu time spent up to now is 217.1 secs Computing kpt #: 313 total cpu time spent up to now is 217.7 secs Computing kpt #: 314 total cpu time spent up to now is 218.3 secs Computing kpt #: 315 total cpu time spent up to now is 218.8 secs Computing kpt #: 316 total cpu time spent up to now is 219.4 secs Computing kpt #: 317 total cpu time spent up to now is 220.0 secs Computing kpt #: 318 total cpu time spent up to now is 220.5 secs Computing kpt #: 319 total cpu time spent up to now is 221.1 secs Computing kpt #: 320 total cpu time spent up to now is 221.7 secs Computing kpt #: 321 total cpu time spent up to now is 222.3 secs Computing kpt #: 322 total cpu time spent up to now is 222.8 secs Computing kpt #: 323 total cpu time spent up to now is 223.5 secs Computing kpt #: 324 total cpu time spent up to now is 224.0 secs Computing kpt #: 325 total cpu time spent up to now is 224.7 secs Computing kpt #: 326 total cpu time spent up to now is 225.2 secs Computing kpt #: 327 total cpu time spent up to now is 225.8 secs Computing kpt #: 328 total cpu time spent up to now is 226.6 secs Computing kpt #: 329 total cpu time spent up to now is 227.4 secs Computing kpt #: 330 total cpu time spent up to now is 228.1 secs Computing kpt #: 331 total cpu time spent up to now is 228.7 secs Computing kpt #: 332 total cpu time spent up to now is 229.3 secs Computing kpt #: 333 total cpu time spent up to now is 230.0 secs Computing kpt #: 334 total cpu time spent up to now is 230.6 secs Computing kpt #: 335 total cpu time spent up to now is 231.2 secs Computing kpt #: 336 total cpu time spent up to now is 231.8 secs Computing kpt #: 337 total cpu time spent up to now is 232.4 secs Computing kpt #: 338 total cpu time spent up to now is 233.0 secs Computing kpt #: 339 total cpu time spent up to now is 233.6 secs Computing kpt #: 340 total cpu time spent up to now is 234.2 secs Computing kpt #: 341 total cpu time spent up to now is 234.7 secs Computing kpt #: 342 total cpu time spent up to now is 235.3 secs Computing kpt #: 343 total cpu time spent up to now is 235.9 secs Computing kpt #: 344 total cpu time spent up to now is 236.5 secs Computing kpt #: 345 total cpu time spent up to now is 237.1 secs Computing kpt #: 346 total cpu time spent up to now is 237.8 secs Computing kpt #: 347 total cpu time spent up to now is 238.4 secs Computing kpt #: 348 total cpu time spent up to now is 239.1 secs Computing kpt #: 349 total cpu time spent up to now is 239.8 secs Computing kpt #: 350 total cpu time spent up to now is 240.5 secs Computing kpt #: 351 total cpu time spent up to now is 241.2 secs Computing kpt #: 352 total cpu time spent up to now is 241.8 secs Computing kpt #: 353 total cpu time spent up to now is 242.5 secs Computing kpt #: 354 total cpu time spent up to now is 243.1 secs Computing kpt #: 355 total cpu time spent up to now is 243.7 secs Computing kpt #: 356 total cpu time spent up to now is 244.3 secs Computing kpt #: 357 total cpu time spent up to now is 245.0 secs Computing kpt #: 358 total cpu time spent up to now is 245.7 secs Computing kpt #: 359 total cpu time spent up to now is 246.3 secs Computing kpt #: 360 total cpu time spent up to now is 246.9 secs Computing kpt #: 361 total cpu time spent up to now is 247.6 secs ethr = 2.50E-08, avg # of iterations = 49.7 total cpu time spent up to now is 247.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2313 PWs) bands (ev): -27.8920 -27.8920 -27.6055 -27.6055 -26.7620 -26.7620 -9.6362 -9.6362 -9.4877 -9.4877 -9.2214 -9.2214 -8.8682 -8.8682 -8.7926 -8.7926 -8.6015 -8.6015 -8.5365 -8.5365 -7.8272 -7.8272 -7.6015 -7.6015 -0.6597 -0.6597 0.8873 0.8873 9.4239 9.4239 9.4335 9.4335 9.6685 9.6685 9.6878 9.6878 10.2939 10.2939 11.6562 11.6562 12.1599 12.1599 14.2809 14.2809 14.2818 14.2818 17.3028 17.3030 k = 0.0106 0.0061-0.0000 ( 2313 PWs) bands (ev): -27.8918 -27.8918 -27.6055 -27.6055 -26.7623 -26.7623 -9.6389 -9.6389 -9.4859 -9.4859 -9.2211 -9.2211 -8.8682 -8.8682 -8.7933 -8.7933 -8.6010 -8.6010 -8.5363 -8.5363 -7.8270 -7.8270 -7.6015 -7.6015 -0.6588 -0.6588 0.8868 0.8868 9.4204 9.4204 9.4304 9.4304 9.6711 9.6711 9.6901 9.6901 10.2961 10.2961 11.6564 11.6564 12.1639 12.1639 14.2823 14.2823 14.2833 14.2833 17.2964 17.2965 k = 0.0213 0.0123-0.0000 ( 2311 PWs) bands (ev): -27.8911 -27.8911 -27.6054 -27.6054 -26.7631 -26.7631 -9.6465 -9.6465 -9.4810 -9.4810 -9.2201 -9.2201 -8.8681 -8.8681 -8.7953 -8.7953 -8.5995 -8.5995 -8.5358 -8.5358 -7.8266 -7.8266 -7.6015 -7.6015 -0.6561 -0.6561 0.8853 0.8853 9.4079 9.4079 9.4238 9.4238 9.6784 9.6784 9.6970 9.6970 10.3025 10.3025 11.6570 11.6570 12.1756 12.1756 14.2864 14.2864 14.2873 14.2873 17.2743 17.2743 k = 0.0319 0.0184-0.0000 ( 2311 PWs) bands (ev): -27.8900 -27.8900 -27.6052 -27.6052 -26.7644 -26.7644 -9.6578 -9.6578 -9.4741 -9.4741 -9.2185 -9.2185 -8.8681 -8.8681 -8.7985 -8.7985 -8.5972 -8.5972 -8.5348 -8.5348 -7.8260 -7.8260 -7.6015 -7.6015 -0.6516 -0.6516 0.8827 0.8827 9.3864 9.3864 9.4160 9.4160 9.6892 9.6892 9.7078 9.7078 10.3129 10.3129 11.6579 11.6579 12.1950 12.1950 14.2931 14.2931 14.2941 14.2941 17.2355 17.2355 k = 0.0426 0.0246-0.0000 ( 2307 PWs) bands (ev): -27.8884 -27.8884 -27.6049 -27.6049 -26.7662 -26.7662 -9.6718 -9.6718 -9.4666 -9.4666 -9.2161 -9.2161 -8.8682 -8.8682 -8.8024 -8.8024 -8.5943 -8.5943 -8.5333 -8.5333 -7.8250 -7.8250 -7.6014 -7.6014 -0.6454 -0.6454 0.8791 0.8791 9.3585 9.3585 9.4069 9.4069 9.7016 9.7016 9.7223 9.7223 10.3270 10.3270 11.6591 11.6591 12.2218 12.2218 14.3025 14.3025 14.3036 14.3036 17.1830 17.1830 k = 0.0532 0.0307-0.0000 ( 2310 PWs) bands (ev): -27.8864 -27.8864 -27.6046 -27.6046 -26.7685 -26.7685 -9.6876 -9.6876 -9.4594 -9.4594 -9.2128 -9.2128 -8.8689 -8.8689 -8.8067 -8.8067 -8.5911 -8.5911 -8.5314 -8.5314 -7.8238 -7.8238 -7.6013 -7.6013 -0.6374 -0.6374 0.8745 0.8745 9.3259 9.3259 9.3970 9.3970 9.7141 9.7141 9.7405 9.7405 10.3442 10.3442 11.6607 11.6607 12.2555 12.2555 14.3145 14.3145 14.3157 14.3157 17.1197 17.1197 k = 0.0638 0.0369-0.0000 ( 2320 PWs) bands (ev): -27.8840 -27.8840 -27.6042 -27.6042 -26.7713 -26.7713 -9.7045 -9.7045 -9.4533 -9.4533 -9.2087 -9.2087 -8.8703 -8.8703 -8.8107 -8.8107 -8.5879 -8.5879 -8.5289 -8.5289 -7.8223 -7.8223 -7.6011 -7.6011 -0.6278 -0.6278 0.8690 0.8690 9.2901 9.2901 9.3866 9.3866 9.7259 9.7259 9.7618 9.7618 10.3642 10.3642 11.6626 11.6626 12.2959 12.2959 14.3291 14.3291 14.3304 14.3304 17.0478 17.0478 k = 0.0745 0.0430-0.0000 ( 2316 PWs) bands (ev): -27.8811 -27.8811 -27.6037 -27.6037 -26.7747 -26.7747 -9.7218 -9.7218 -9.4488 -9.4488 -9.2035 -9.2035 -8.8727 -8.8727 -8.8140 -8.8140 -8.5848 -8.5848 -8.5259 -8.5259 -7.8204 -7.8204 -7.6008 -7.6008 -0.6164 -0.6164 0.8625 0.8625 9.2522 9.2522 9.3762 9.3762 9.7370 9.7370 9.7857 9.7857 10.3864 10.3864 11.6647 11.6647 12.3423 12.3423 14.3464 14.3464 14.3478 14.3478 16.9694 16.9694 k = 0.0851 0.0491-0.0000 ( 2316 PWs) bands (ev): -27.8779 -27.8779 -27.6031 -27.6031 -26.7785 -26.7785 -9.7395 -9.7395 -9.4462 -9.4462 -9.1976 -9.1976 -8.8763 -8.8763 -8.8161 -8.8161 -8.5820 -8.5820 -8.5223 -8.5223 -7.8182 -7.8182 -7.6004 -7.6004 -0.6035 -0.6035 0.8551 0.8551 9.2130 9.2130 9.3661 9.3661 9.7472 9.7472 9.8116 9.8116 10.4106 10.4106 11.6671 11.6671 12.3942 12.3942 14.3661 14.3661 14.3677 14.3677 16.8860 16.8860 k = 0.0957 0.0553-0.0000 ( 2318 PWs) bands (ev): -27.8742 -27.8742 -27.6024 -27.6024 -26.7828 -26.7828 -9.7571 -9.7571 -9.4455 -9.4455 -9.1912 -9.1912 -8.8812 -8.8812 -8.8168 -8.8168 -8.5798 -8.5798 -8.5182 -8.5182 -7.8156 -7.8156 -7.5997 -7.5997 -0.5891 -0.5891 0.8468 0.8468 9.1731 9.1731 9.3565 9.3565 9.7566 9.7566 9.8391 9.8391 10.4365 10.4365 11.6697 11.6697 12.4508 12.4508 14.3885 14.3885 14.3901 14.3901 16.7992 16.7992 k = 0.1064 0.0614-0.0000 ( 2322 PWs) bands (ev): -27.8702 -27.8702 -27.6017 -27.6017 -26.7877 -26.7877 -9.7746 -9.7746 -9.4468 -9.4468 -9.1846 -9.1846 -8.8870 -8.8870 -8.8161 -8.8161 -8.5780 -8.5780 -8.5137 -8.5137 -7.8126 -7.8126 -7.5989 -7.5989 -0.5732 -0.5732 0.8376 0.8376 9.1331 9.1331 9.3475 9.3475 9.7652 9.7652 9.8679 9.8679 10.4638 10.4638 11.6723 11.6723 12.5114 12.5114 14.4134 14.4134 14.4151 14.4151 16.7102 16.7102 k = 0.1170 0.0676-0.0000 ( 2322 PWs) bands (ev): -27.8657 -27.8657 -27.6008 -27.6008 -26.7930 -26.7930 -9.7917 -9.7917 -9.4497 -9.4497 -9.1783 -9.1783 -8.8935 -8.8935 -8.8143 -8.8143 -8.5766 -8.5766 -8.5089 -8.5089 -7.8092 -7.8092 -7.5978 -7.5978 -0.5559 -0.5559 0.8276 0.8276 9.0935 9.0935 9.3394 9.3394 9.7730 9.7730 9.8978 9.8978 10.4924 10.4924 11.6751 11.6751 12.5753 12.5753 14.4408 14.4408 14.4426 14.4426 16.6201 16.6201 k = 0.1277 0.0737-0.0000 ( 2322 PWs) bands (ev): -27.8609 -27.8609 -27.5998 -27.5998 -26.7987 -26.7987 -9.8084 -9.8084 -9.4543 -9.4543 -9.1727 -9.1727 -8.9003 -8.9003 -8.8115 -8.8115 -8.5757 -8.5757 -8.5038 -8.5038 -7.8053 -7.8053 -7.5964 -7.5964 -0.5373 -0.5373 0.8168 0.8168 9.0548 9.0548 9.3321 9.3321 9.7799 9.7799 9.9287 9.9287 10.5222 10.5222 11.6778 11.6778 12.6416 12.6416 14.4706 14.4706 14.4725 14.4725 16.5299 16.5299 k = 0.1383 0.0798-0.0000 ( 2322 PWs) bands (ev): -27.8558 -27.8558 -27.5987 -27.5987 -26.8050 -26.8050 -9.8245 -9.8245 -9.4602 -9.4602 -9.1681 -9.1681 -8.9071 -8.9071 -8.8079 -8.8079 -8.5752 -8.5752 -8.4985 -8.4985 -7.8009 -7.8009 -7.5947 -7.5947 -0.5175 -0.5175 0.8053 0.8053 9.0172 9.0172 9.3257 9.3257 9.7860 9.7860 9.9603 9.9603 10.5531 10.5531 11.6805 11.6805 12.7093 12.7093 14.5029 14.5029 14.5049 14.5049 16.4405 16.4405 k = 0.1489 0.0860-0.0000 ( 2318 PWs) bands (ev): -27.8504 -27.8504 -27.5974 -27.5974 -26.8116 -26.8116 -9.8400 -9.8400 -9.4672 -9.4672 -9.1650 -9.1650 -8.9136 -8.9136 -8.8037 -8.8037 -8.5749 -8.5749 -8.4931 -8.4931 -7.7959 -7.7959 -7.5927 -7.5927 -0.4966 -0.4966 0.7932 0.7932 8.9811 8.9811 9.3203 9.3203 9.7911 9.7911 9.9925 9.9925 10.5851 10.5851 11.6831 11.6831 12.7776 12.7776 14.5376 14.5376 14.5397 14.5397 16.3528 16.3528 k = 0.1596 0.0921-0.0000 ( 2318 PWs) bands (ev): -27.8446 -27.8446 -27.5960 -27.5960 -26.8187 -26.8187 -9.8547 -9.8547 -9.4753 -9.4753 -9.1637 -9.1637 -8.9197 -8.9197 -8.7990 -8.7990 -8.5750 -8.5750 -8.4876 -8.4876 -7.7903 -7.7903 -7.5904 -7.5904 -0.4746 -0.4746 0.7803 0.7803 8.9468 8.9468 9.3159 9.3159 9.7953 9.7953 10.0253 10.0253 10.6180 10.6180 11.6855 11.6855 12.8454 12.8454 14.5746 14.5746 14.5768 14.5768 16.2676 16.2676 k = 0.1702 0.0983-0.0000 ( 2318 PWs) bands (ev): -27.8386 -27.8386 -27.5944 -27.5944 -26.8263 -26.8263 -9.8687 -9.8687 -9.4841 -9.4841 -9.1642 -9.1642 -8.9254 -8.9254 -8.7939 -8.7939 -8.5752 -8.5752 -8.4821 -8.4821 -7.7842 -7.7842 -7.5878 -7.5878 -0.4516 -0.4516 0.7669 0.7669 8.9144 8.9144 9.3124 9.3124 9.7984 9.7984 10.0584 10.0584 10.6519 10.6519 11.6876 11.6876 12.9115 12.9115 14.6141 14.6141 14.6164 14.6164 16.1858 16.1858 k = 0.1809 0.1044-0.0000 ( 2326 PWs) bands (ev): -27.8324 -27.8324 -27.5927 -27.5927 -26.8342 -26.8342 -9.8819 -9.8819 -9.4935 -9.4935 -9.1668 -9.1668 -8.9308 -8.9308 -8.7885 -8.7885 -8.5756 -8.5756 -8.4764 -8.4764 -7.7776 -7.7776 -7.5849 -7.5849 -0.4278 -0.4278 0.7530 0.7530 8.8842 8.8842 9.3099 9.3099 9.8005 9.8005 10.0918 10.0918 10.6867 10.6867 11.6893 11.6893 12.9749 12.9749 14.6558 14.6558 14.6583 14.6583 16.1083 16.1083 k = 0.1915 0.1106-0.0000 ( 2324 PWs) bands (ev): -27.8259 -27.8259 -27.5908 -27.5908 -26.8426 -26.8426 -9.8942 -9.8942 -9.5034 -9.5034 -9.1713 -9.1713 -8.9358 -8.9358 -8.7831 -8.7831 -8.5759 -8.5759 -8.4706 -8.4706 -7.7702 -7.7702 -7.5817 -7.5817 -0.4032 -0.4032 0.7385 0.7385 8.8564 8.8564 9.3084 9.3084 9.8016 9.8016 10.1253 10.1253 10.7222 10.7222 11.6907 11.6907 13.0344 13.0344 14.6999 14.6999 14.7027 14.7027 16.0358 16.0358 k = 0.2021 0.1167-0.0000 ( 2330 PWs) bands (ev): -27.8193 -27.8193 -27.5887 -27.5887 -26.8513 -26.8513 -9.9056 -9.9056 -9.5138 -9.5138 -9.1777 -9.1777 -8.9408 -8.9408 -8.7777 -8.7777 -8.5763 -8.5763 -8.4646 -8.4646 -7.7624 -7.7624 -7.5783 -7.5783 -0.3780 -0.3780 0.7237 0.7237 8.8309 8.8309 9.3078 9.3078 9.8016 9.8016 10.1590 10.1590 10.7584 10.7584 11.6916 11.6916 13.0888 13.0888 14.7460 14.7460 14.7498 14.7498 15.9693 15.9694 k = 0.2128 0.1228-0.0000 ( 2326 PWs) bands (ev): -27.8125 -27.8125 -27.5863 -27.5863 -26.8604 -26.8604 -9.9161 -9.9161 -9.5244 -9.5244 -9.1856 -9.1856 -8.9457 -8.9457 -8.7725 -8.7725 -8.5765 -8.5765 -8.4584 -8.4584 -7.7539 -7.7539 -7.5746 -7.5746 -0.3523 -0.3523 0.7084 0.7084 8.8081 8.8081 9.3080 9.3080 9.8005 9.8005 10.1926 10.1926 10.7952 10.7952 11.6920 11.6920 13.1369 13.1369 14.7942 14.7942 14.7997 14.7997 15.9096 15.9096 k = 0.2234 0.1290-0.0000 ( 2330 PWs) bands (ev): -27.8057 -27.8057 -27.5837 -27.5837 -26.8699 -26.8699 -9.9257 -9.9257 -9.5352 -9.5352 -9.1951 -9.1951 -8.9507 -8.9507 -8.7678 -8.7678 -8.5766 -8.5766 -8.4520 -8.4520 -7.7449 -7.7449 -7.5707 -7.5707 -0.3261 -0.3261 0.6928 0.6928 8.7879 8.7879 9.3091 9.3091 9.7984 9.7984 10.2260 10.2260 10.8324 10.8324 11.6919 11.6919 13.1777 13.1777 14.8441 14.8441 14.8525 14.8525 15.8572 15.8572 k = 0.2340 0.1351-0.0000 ( 2330 PWs) bands (ev): -27.7988 -27.7988 -27.5808 -27.5808 -26.8796 -26.8796 -9.9342 -9.9342 -9.5461 -9.5461 -9.2059 -9.2059 -8.9560 -8.9560 -8.7635 -8.7635 -8.5764 -8.5764 -8.4453 -8.4453 -7.7353 -7.7353 -7.5666 -7.5666 -0.2995 -0.2995 0.6770 0.6770 8.7703 8.7703 9.3111 9.3111 9.7952 9.7952 10.2592 10.2592 10.8699 10.8699 11.6912 11.6912 13.2102 13.2102 14.8957 14.8957 14.9083 14.9083 15.8129 15.8129 k = 0.2447 0.1413-0.0000 ( 2338 PWs) bands (ev): -27.7919 -27.7919 -27.5777 -27.5777 -26.8897 -26.8897 -9.9418 -9.9418 -9.5572 -9.5572 -9.2178 -9.2178 -8.9616 -8.9616 -8.7599 -8.7599 -8.5760 -8.5760 -8.4383 -8.4383 -7.7254 -7.7254 -7.5624 -7.5624 -0.2727 -0.2727 0.6609 0.6609 8.7556 8.7556 9.3137 9.3137 9.7908 9.7908 10.2921 10.2921 10.9076 10.9076 11.6898 11.6898 13.2337 13.2337 14.9488 14.9488 14.9672 14.9672 15.7769 15.7769 k = 0.2553 0.1474-0.0000 ( 2338 PWs) bands (ev): -27.7850 -27.7850 -27.5742 -27.5742 -26.9001 -26.9001 -9.9484 -9.9484 -9.5682 -9.5682 -9.2306 -9.2306 -8.9675 -8.9675 -8.7569 -8.7569 -8.5753 -8.5753 -8.4311 -8.4311 -7.7150 -7.7150 -7.5581 -7.5581 -0.2457 -0.2457 0.6446 0.6446 8.7436 8.7436 9.3171 9.3171 9.7855 9.7855 10.3245 10.3245 10.9453 10.9453 11.6879 11.6879 13.2479 13.2479 15.0033 15.0033 15.0289 15.0289 15.7496 15.7496 k = 0.2660 0.1536-0.0000 ( 2336 PWs) bands (ev): -27.7782 -27.7782 -27.5704 -27.5704 -26.9107 -26.9107 -9.9540 -9.9540 -9.5792 -9.5792 -9.2442 -9.2442 -8.9738 -8.9738 -8.7546 -8.7546 -8.5744 -8.5744 -8.4235 -8.4235 -7.7042 -7.7042 -7.5537 -7.5537 -0.2186 -0.2186 0.6282 0.6282 8.7343 8.7343 9.3210 9.3210 9.7791 9.7791 10.3564 10.3564 10.9828 10.9828 11.6853 11.6853 13.2526 13.2526 15.0589 15.0589 15.0934 15.0934 15.7310 15.7310 k = 0.2766 0.1597-0.0000 ( 2336 PWs) bands (ev): -27.7715 -27.7715 -27.5662 -27.5662 -26.9215 -26.9215 -9.9586 -9.9586 -9.5901 -9.5901 -9.2585 -9.2585 -8.9804 -8.9804 -8.7529 -8.7529 -8.5732 -8.5732 -8.4158 -8.4158 -7.6932 -7.6932 -7.5493 -7.5493 -0.1916 -0.1916 0.6117 0.6117 8.7278 8.7278 9.3256 9.3256 9.7717 9.7717 10.3876 10.3876 11.0200 11.0200 11.6822 11.6822 13.2482 13.2482 15.1154 15.1154 15.1603 15.1603 15.7207 15.7207 k = 0.2872 0.1658-0.0000 ( 2336 PWs) bands (ev): -27.7650 -27.7650 -27.5616 -27.5616 -26.9325 -26.9325 -9.9622 -9.9622 -9.6008 -9.6008 -9.2734 -9.2734 -8.9873 -8.9873 -8.7519 -8.7519 -8.5719 -8.5719 -8.4078 -8.4078 -7.6819 -7.6819 -7.5448 -7.5448 -0.1647 -0.1647 0.5951 0.5951 8.7240 8.7240 9.3307 9.3307 9.7633 9.7633 10.4181 10.4181 11.0566 11.0566 11.6784 11.6784 13.2352 13.2352 15.1722 15.1723 15.2291 15.2291 15.7184 15.7184 k = 0.2979 0.1720-0.0000 ( 2340 PWs) bands (ev): -27.7587 -27.7587 -27.5567 -27.5567 -26.9437 -26.9437 -9.9648 -9.9648 -9.6115 -9.6115 -9.2887 -9.2887 -8.9944 -8.9944 -8.7515 -8.7515 -8.5705 -8.5705 -8.3997 -8.3997 -7.6705 -7.6705 -7.5405 -7.5405 -0.1380 -0.1380 0.5785 0.5785 8.7228 8.7228 9.3362 9.3362 9.7539 9.7539 10.4478 10.4478 11.0925 11.0925 11.6742 11.6742 13.2145 13.2145 15.2290 15.2290 15.2992 15.2992 15.7236 15.7236 k = 0.3085 0.1781-0.0000 ( 2344 PWs) bands (ev): -27.7528 -27.7528 -27.5513 -27.5513 -26.9550 -26.9550 -9.9664 -9.9664 -9.6219 -9.6219 -9.3044 -9.3044 -9.0017 -9.0017 -8.7515 -8.7515 -8.5691 -8.5691 -8.3916 -8.3916 -7.6591 -7.6591 -7.5362 -7.5362 -0.1115 -0.1115 0.5620 0.5620 8.7241 8.7241 9.3420 9.3420 9.7436 9.7436 10.4766 10.4766 11.1275 11.1275 11.6695 11.6695 13.1870 13.1870 15.2852 15.2852 15.3698 15.3698 15.7359 15.7359 k = 0.3191 0.1843-0.0000 ( 2344 PWs) bands (ev): -27.7471 -27.7471 -27.5456 -27.5456 -26.9664 -26.9664 -9.9670 -9.9670 -9.6321 -9.6321 -9.3203 -9.3203 -9.0091 -9.0091 -8.7519 -8.7519 -8.5675 -8.5675 -8.3834 -8.3834 -7.6476 -7.6476 -7.5320 -7.5320 -0.0854 -0.0854 0.5455 0.5455 8.7278 8.7278 9.3481 9.3481 9.7324 9.7324 10.5043 10.5043 11.1614 11.1614 11.6644 11.6644 13.1540 13.1540 15.3400 15.3400 15.4399 15.4399 15.7546 15.7546 k = 0.3298 0.1904-0.0000 ( 2344 PWs) bands (ev): -27.7417 -27.7417 -27.5395 -27.5395 -26.9779 -26.9779 -9.9667 -9.9667 -9.6421 -9.6421 -9.3364 -9.3364 -9.0165 -9.0165 -8.7526 -8.7526 -8.5660 -8.5660 -8.3754 -8.3754 -7.6363 -7.6363 -7.5280 -7.5280 -0.0597 -0.0597 0.5290 0.5290 8.7339 8.7339 9.3545 9.3545 9.7203 9.7203 10.5310 10.5310 11.1941 11.1941 11.6591 11.6591 13.1165 13.1165 15.3925 15.3925 15.5083 15.5083 15.7796 15.7796 k = 0.3404 0.1965-0.0000 ( 2348 PWs) bands (ev): -27.7367 -27.7367 -27.5331 -27.5331 -26.9893 -26.9893 -9.9656 -9.9656 -9.6519 -9.6519 -9.3525 -9.3525 -9.0239 -9.0239 -8.7535 -8.7535 -8.5646 -8.5646 -8.3675 -8.3675 -7.6251 -7.6251 -7.5241 -7.5241 -0.0344 -0.0344 0.5127 0.5127 8.7421 8.7421 9.3609 9.3609 9.7075 9.7075 10.5565 10.5565 11.2253 11.2253 11.6537 11.6537 13.0757 13.0757 15.4415 15.4415 15.5737 15.5737 15.8106 15.8106 k = 0.3511 0.2027-0.0000 ( 2348 PWs) bands (ev): -27.7320 -27.7320 -27.5263 -27.5263 -27.0007 -27.0007 -9.9635 -9.9635 -9.6615 -9.6615 -9.3686 -9.3686 -9.0310 -9.0310 -8.7546 -8.7546 -8.5632 -8.5632 -8.3598 -8.3598 -7.6141 -7.6141 -7.5205 -7.5205 -0.0097 -0.0097 0.4964 0.4964 8.7522 8.7522 9.3674 9.3674 9.6939 9.6939 10.5808 10.5808 11.2547 11.2547 11.6484 11.6484 13.0327 13.0327 15.4857 15.4857 15.6343 15.6343 15.8475 15.8475 k = 0.3617 0.2088-0.0000 ( 2346 PWs) bands (ev): -27.7277 -27.7277 -27.5193 -27.5193 -27.0120 -27.0120 -9.9606 -9.9606 -9.6708 -9.6708 -9.3845 -9.3845 -9.0380 -9.0380 -8.7557 -8.7557 -8.5619 -8.5619 -8.3524 -8.3524 -7.6034 -7.6034 -7.5171 -7.5171 0.0145 0.0145 0.4803 0.4803 8.7641 8.7641 9.3739 9.3739 9.6796 9.6796 10.6038 10.6038 11.2823 11.2823 11.6434 11.6434 12.9885 12.9885 15.5240 15.5240 15.6888 15.6888 15.8901 15.8901 k = 0.3723 0.2150-0.0000 ( 2340 PWs) bands (ev): -27.7238 -27.7238 -27.5121 -27.5121 -27.0230 -27.0230 -9.9570 -9.9570 -9.6798 -9.6798 -9.4000 -9.4000 -9.0446 -9.0446 -8.7569 -8.7569 -8.5608 -8.5608 -8.3453 -8.3453 -7.5930 -7.5930 -7.5140 -7.5140 0.0381 0.0381 0.4643 0.4643 8.7776 8.7776 9.3803 9.3803 9.6648 9.6648 10.6253 10.6253 11.3078 11.3078 11.6388 11.6388 12.9441 12.9441 15.5552 15.5552 15.7366 15.7366 15.9372 15.9372 k = 0.3830 0.2211-0.0000 ( 2340 PWs) bands (ev): -27.7203 -27.7203 -27.5048 -27.5048 -27.0338 -27.0338 -9.9526 -9.9526 -9.6887 -9.6887 -9.4151 -9.4151 -9.0509 -9.0509 -8.7581 -8.7581 -8.5597 -8.5597 -8.3386 -8.3386 -7.5831 -7.5831 -7.5112 -7.5112 0.0611 0.0611 0.4485 0.4485 8.7922 8.7922 9.3865 9.3865 9.6496 9.6496 10.6454 10.6454 11.3309 11.3309 11.6348 11.6348 12.9002 12.9002 15.5792 15.5792 15.7780 15.7780 15.9867 15.9867 k = 0.3936 0.2273-0.0000 ( 2348 PWs) bands (ev): -27.7172 -27.7172 -27.4975 -27.4975 -27.0443 -27.0443 -9.9478 -9.9478 -9.6972 -9.6972 -9.4297 -9.4297 -9.0569 -9.0569 -8.7593 -8.7593 -8.5587 -8.5587 -8.3324 -8.3324 -7.5737 -7.5737 -7.5088 -7.5088 0.0835 0.0835 0.4327 0.4327 8.8078 8.8078 9.3924 9.3924 9.6341 9.6341 10.6639 10.6639 11.3515 11.3515 11.6318 11.6318 12.8576 12.8576 15.5961 15.5961 15.8136 15.8136 16.0362 16.0362 k = 0.4043 0.2334-0.0000 ( 2348 PWs) bands (ev): -27.7144 -27.7144 -27.4903 -27.4903 -27.0543 -27.0543 -9.9424 -9.9424 -9.7055 -9.7055 -9.4434 -9.4434 -9.0624 -9.0624 -8.7605 -8.7605 -8.5578 -8.5578 -8.3267 -8.3267 -7.5648 -7.5648 -7.5067 -7.5067 0.1052 0.1052 0.4170 0.4170 8.8241 8.8241 9.3980 9.3980 9.6186 9.6186 10.6809 10.6809 11.3694 11.3694 11.6297 11.6297 12.8170 12.8170 15.6070 15.6070 15.8441 15.8441 16.0835 16.0835 k = 0.4149 0.2395-0.0000 ( 2344 PWs) bands (ev): -27.7119 -27.7119 -27.4833 -27.4833 -27.0637 -27.0637 -9.9366 -9.9366 -9.7135 -9.7135 -9.4563 -9.4563 -9.0673 -9.0673 -8.7616 -8.7616 -8.5570 -8.5570 -8.3215 -8.3215 -7.5564 -7.5564 -7.5050 -7.5050 0.1262 0.1262 0.4015 0.4015 8.8406 8.8406 9.4032 9.4032 9.6032 9.6032 10.6962 10.6962 11.3846 11.3846 11.6288 11.6288 12.7791 12.7791 15.6131 15.6131 15.8701 15.8701 16.1268 16.1268 k = 0.4255 0.2457-0.0000 ( 2346 PWs) bands (ev): -27.7098 -27.7098 -27.4767 -27.4767 -27.0725 -27.0725 -9.9306 -9.9306 -9.7211 -9.7211 -9.4681 -9.4681 -9.0718 -9.0718 -8.7626 -8.7626 -8.5564 -8.5564 -8.3169 -8.3169 -7.5486 -7.5486 -7.5037 -7.5037 0.1467 0.1467 0.3859 0.3859 8.8569 8.8569 9.4079 9.4079 9.5883 9.5883 10.7098 10.7098 11.3970 11.3970 11.6290 11.6290 12.7443 12.7443 15.6157 15.6157 15.8919 15.8919 16.1649 16.1649 k = 0.4362 0.2518-0.0000 ( 2346 PWs) bands (ev): -27.7080 -27.7080 -27.4705 -27.4705 -27.0805 -27.0805 -9.9245 -9.9245 -9.7282 -9.7282 -9.4787 -9.4787 -9.0757 -9.0757 -8.7634 -8.7634 -8.5558 -8.5558 -8.3128 -8.3128 -7.5415 -7.5415 -7.5029 -7.5029 0.1664 0.1664 0.3704 0.3704 8.8725 8.8725 9.4122 9.4122 9.5741 9.5741 10.7217 10.7217 11.4067 11.4067 11.6302 11.6302 12.7131 12.7131 15.6159 15.6159 15.9098 15.9098 16.1976 16.1976 k = 0.4468 0.2580-0.0000 ( 2346 PWs) bands (ev): -27.7065 -27.7065 -27.4649 -27.4649 -27.0876 -27.0876 -9.9187 -9.9187 -9.7348 -9.7348 -9.4879 -9.4879 -9.0791 -9.0791 -8.7642 -8.7642 -8.5554 -8.5554 -8.3093 -8.3093 -7.5351 -7.5351 -7.5025 -7.5025 0.1856 0.1856 0.3549 0.3549 8.8870 8.8870 9.4158 9.4158 9.5611 9.5611 10.7319 10.7319 11.4141 11.4141 11.6321 11.6321 12.6860 12.6860 15.6147 15.6147 15.9241 15.9241 16.2247 16.2247 k = 0.4574 0.2641-0.0000 ( 2346 PWs) bands (ev): -27.7052 -27.7052 -27.4601 -27.4601 -27.0936 -27.0936 -9.9133 -9.9133 -9.7407 -9.7407 -9.4957 -9.4957 -9.0818 -9.0818 -8.7648 -8.7648 -8.5550 -8.5550 -8.3065 -8.3065 -7.5294 -7.5294 -7.5025 -7.5025 0.2042 0.2042 0.3393 0.3393 8.8999 8.8999 9.4189 9.4189 9.5496 9.5496 10.7402 10.7402 11.4195 11.4195 11.6343 11.6343 12.6633 12.6633 15.6129 15.6129 15.9351 15.9351 16.2464 16.2464 k = 0.4681 0.2702-0.0000 ( 2350 PWs) bands (ev): -27.7043 -27.7043 -27.4562 -27.4562 -27.0985 -27.0985 -9.9086 -9.9086 -9.7457 -9.7457 -9.5019 -9.5019 -9.0840 -9.0840 -8.7653 -8.7653 -8.5547 -8.5547 -8.3042 -8.3042 -7.5245 -7.5245 -7.5030 -7.5030 0.2222 0.2222 0.3236 0.3236 8.9106 8.9106 9.4213 9.4213 9.5401 9.5401 10.7467 10.7467 11.4232 11.4232 11.6366 11.6366 12.6453 12.6453 15.6110 15.6110 15.9431 15.9431 16.2631 16.2631 k = 0.4787 0.2764-0.0000 ( 2346 PWs) bands (ev): -27.7036 -27.7036 -27.4533 -27.4533 -27.1020 -27.1020 -9.9050 -9.9050 -9.7495 -9.7495 -9.5063 -9.5063 -9.0856 -9.0856 -8.7657 -8.7657 -8.5545 -8.5545 -8.3026 -8.3026 -7.5206 -7.5206 -7.5038 -7.5038 0.2395 0.2395 0.3080 0.3080 8.9186 8.9186 9.4231 9.4231 9.5330 9.5330 10.7514 10.7514 11.4256 11.4256 11.6385 11.6385 12.6323 12.6323 15.6094 15.6094 15.9486 15.9486 16.2749 16.2749 k = 0.4894 0.2825-0.0000 ( 2346 PWs) bands (ev): -27.7033 -27.7033 -27.4515 -27.4515 -27.1042 -27.1042 -9.9026 -9.9026 -9.7519 -9.7519 -9.5090 -9.5090 -9.0865 -9.0865 -8.7659 -8.7659 -8.5544 -8.5544 -8.3016 -8.3016 -7.5178 -7.5178 -7.5046 -7.5046 0.2559 0.2559 0.2926 0.2926 8.9236 8.9236 9.4241 9.4241 9.5286 9.5286 10.7542 10.7542 11.4269 11.4269 11.6398 11.6398 12.6244 12.6244 15.6083 15.6083 15.9518 15.9518 16.2820 16.2820 k = 0.5000 0.2887-0.0000 ( 2342 PWs) bands (ev): -27.7031 -27.7031 -27.4509 -27.4509 -27.1049 -27.1049 -9.9018 -9.9018 -9.7527 -9.7527 -9.5099 -9.5099 -9.0868 -9.0868 -8.7659 -8.7659 -8.5543 -8.5543 -8.3013 -8.3013 -7.5167 -7.5167 -7.5050 -7.5050 0.2666 0.2666 0.2823 0.2823 8.9253 8.9253 9.4245 9.4245 9.5271 9.5271 10.7551 10.7551 11.4273 11.4273 11.6403 11.6403 12.6217 12.6217 15.6080 15.6080 15.9528 15.9528 16.2843 16.2843 k = 0.5000 0.2887-0.0000 ( 2342 PWs) bands (ev): -27.7031 -27.7031 -27.4509 -27.4509 -27.1049 -27.1049 -9.9018 -9.9018 -9.7527 -9.7527 -9.5099 -9.5099 -9.0868 -9.0868 -8.7659 -8.7659 -8.5543 -8.5543 -8.3013 -8.3013 -7.5167 -7.5167 -7.5050 -7.5050 0.2666 0.2666 0.2823 0.2823 8.9253 8.9253 9.4245 9.4245 9.5271 9.5271 10.7551 10.7551 11.4273 11.4273 11.6403 11.6403 12.6217 12.6217 15.6080 15.6080 15.9528 15.9528 16.2843 16.2843 k = 0.4938 0.2994-0.0000 ( 2344 PWs) bands (ev): -27.7031 -27.7031 -27.4507 -27.4507 -27.1052 -27.1052 -9.9016 -9.9016 -9.7528 -9.7528 -9.5100 -9.5100 -9.0870 -9.0870 -8.7664 -8.7664 -8.5563 -8.5563 -8.2989 -8.2989 -7.5201 -7.5201 -7.5015 -7.5015 0.2666 0.2666 0.2824 0.2824 8.9263 8.9263 9.4238 9.4238 9.5287 9.5287 10.7528 10.7528 11.4276 11.4276 11.6401 11.6401 12.6201 12.6201 15.6079 15.6079 15.9556 15.9556 16.2846 16.2846 k = 0.4877 0.3101-0.0000 ( 2344 PWs) bands (ev): -27.7031 -27.7031 -27.4499 -27.4499 -27.1060 -27.1060 -9.9008 -9.9008 -9.7530 -9.7530 -9.5102 -9.5102 -9.0877 -9.0877 -8.7679 -8.7679 -8.5620 -8.5620 -8.2919 -8.2919 -7.5264 -7.5264 -7.4951 -7.4951 0.2666 0.2666 0.2828 0.2828 8.9292 8.9292 9.4218 9.4218 9.5333 9.5333 10.7461 10.7461 11.4283 11.4283 11.6395 11.6395 12.6155 12.6155 15.6076 15.6076 15.9638 15.9638 16.2855 16.2855 k = 0.4815 0.3208-0.0000 ( 2350 PWs) bands (ev): -27.7030 -27.7030 -27.4487 -27.4487 -27.1073 -27.1073 -9.8994 -9.8994 -9.7534 -9.7534 -9.5106 -9.5106 -9.0887 -9.0887 -8.7703 -8.7703 -8.5710 -8.5710 -8.2810 -8.2810 -7.5332 -7.5332 -7.4880 -7.4880 0.2665 0.2665 0.2835 0.2835 8.9340 8.9340 9.4189 9.4189 9.5405 9.5405 10.7348 10.7348 11.4294 11.4294 11.6386 11.6386 12.6077 12.6077 15.6076 15.6076 15.9771 15.9771 16.2869 16.2869 k = 0.4753 0.3314-0.0000 ( 2346 PWs) bands (ev): -27.7029 -27.7029 -27.4469 -27.4469 -27.1092 -27.1092 -9.8976 -9.8976 -9.7539 -9.7539 -9.5110 -9.5110 -9.0902 -9.0902 -8.7736 -8.7736 -8.5822 -8.5822 -8.2667 -8.2667 -7.5402 -7.5402 -7.4806 -7.4806 0.2665 0.2665 0.2845 0.2845 8.9407 8.9407 9.4158 9.4158 9.5498 9.5498 10.7191 10.7191 11.4311 11.4311 11.6373 11.6373 12.5970 12.5970 15.6081 15.6081 15.9949 15.9949 16.2890 16.2890 k = 0.4691 0.3421-0.0000 ( 2346 PWs) bands (ev): -27.7028 -27.7028 -27.4446 -27.4446 -27.1116 -27.1116 -9.8952 -9.8952 -9.7545 -9.7545 -9.5116 -9.5116 -9.0922 -9.0922 -8.7776 -8.7776 -8.5953 -8.5953 -8.2500 -8.2500 -7.5473 -7.5473 -7.4730 -7.4730 0.2665 0.2665 0.2857 0.2857 8.9494 8.9494 9.4127 9.4127 9.5607 9.5607 10.6992 10.6992 11.4332 11.4332 11.6357 11.6357 12.5836 12.5836 15.6094 15.6094 16.0165 16.0165 16.2920 16.2920 k = 0.4630 0.3528-0.0000 ( 2338 PWs) bands (ev): -27.7026 -27.7026 -27.4418 -27.4418 -27.1145 -27.1145 -9.8923 -9.8923 -9.7551 -9.7551 -9.5123 -9.5123 -9.0946 -9.0946 -8.7824 -8.7824 -8.6093 -8.6093 -8.2314 -8.2314 -7.5545 -7.5545 -7.4652 -7.4652 0.2665 0.2665 0.2871 0.2871 8.9600 8.9600 9.4101 9.4101 9.5727 9.5727 10.6751 10.6751 11.4358 11.4358 11.6338 11.6338 12.5676 12.5676 15.6122 15.6122 16.0410 16.0410 16.2959 16.2959 k = 0.4568 0.3635-0.0000 ( 2334 PWs) bands (ev): -27.7024 -27.7024 -27.4385 -27.4385 -27.1180 -27.1180 -9.8889 -9.8889 -9.7559 -9.7559 -9.5132 -9.5132 -9.0975 -9.0975 -8.7878 -8.7878 -8.6240 -8.6240 -8.2113 -8.2113 -7.5619 -7.5619 -7.4574 -7.4574 0.2665 0.2665 0.2888 0.2888 8.9725 8.9725 9.4082 9.4082 9.5856 9.5856 10.6469 10.6469 11.4389 11.4389 11.6315 11.6315 12.5493 12.5493 15.6165 15.6165 16.0676 16.0676 16.3010 16.3010 k = 0.4506 0.3742-0.0000 ( 2338 PWs) bands (ev): -27.7022 -27.7022 -27.4347 -27.4347 -27.1220 -27.1220 -9.8851 -9.8851 -9.7568 -9.7568 -9.5142 -9.5142 -9.1010 -9.1010 -8.7937 -8.7937 -8.6390 -8.6390 -8.1903 -8.1903 -7.5695 -7.5695 -7.4496 -7.4496 0.2665 0.2665 0.2906 0.2906 8.9869 8.9869 9.4073 9.4073 9.5991 9.5991 10.6149 10.6149 11.4425 11.4425 11.6289 11.6289 12.5288 12.5288 15.6226 15.6226 16.0954 16.0954 16.3077 16.3077 k = 0.4444 0.3849-0.0000 ( 2338 PWs) bands (ev): -27.7020 -27.7020 -27.4305 -27.4305 -27.1265 -27.1265 -9.8809 -9.8809 -9.7577 -9.7577 -9.5154 -9.5154 -9.1050 -9.1050 -8.7999 -8.7999 -8.6539 -8.6539 -8.1685 -8.1685 -7.5773 -7.5773 -7.4417 -7.4417 0.2666 0.2666 0.2925 0.2925 9.0032 9.0032 9.4074 9.4074 9.6130 9.6130 10.5793 10.5793 11.4466 11.4466 11.6259 11.6259 12.5066 12.5066 15.6307 15.6307 16.1232 16.1232 16.3166 16.3166 k = 0.4383 0.3956-0.0000 ( 2338 PWs) bands (ev): -27.7017 -27.7017 -27.4257 -27.4257 -27.1314 -27.1314 -9.8763 -9.8763 -9.7587 -9.7587 -9.5168 -9.5168 -9.1095 -9.1095 -8.8064 -8.8064 -8.6686 -8.6686 -8.1462 -8.1462 -7.5854 -7.5854 -7.4338 -7.4338 0.2668 0.2668 0.2946 0.2946 9.0213 9.0213 9.4086 9.4086 9.6272 9.6272 10.5403 10.5403 11.4512 11.4512 11.6227 11.6227 12.4828 12.4828 15.6409 15.6409 16.1498 16.1498 16.3285 16.3285 k = 0.4321 0.4063-0.0000 ( 2340 PWs) bands (ev): -27.7015 -27.7015 -27.4205 -27.4205 -27.1369 -27.1369 -9.8714 -9.8714 -9.7596 -9.7596 -9.5183 -9.5183 -9.1145 -9.1145 -8.8131 -8.8131 -8.6828 -8.6828 -8.1236 -8.1236 -7.5937 -7.5937 -7.4261 -7.4261 0.2670 0.2670 0.2967 0.2967 9.0412 9.0412 9.4110 9.4110 9.6414 9.6414 10.4980 10.4980 11.4563 11.4563 11.6193 11.6193 12.4578 12.4578 15.6532 15.6532 16.1740 16.1740 16.3442 16.3442 k = 0.4259 0.4170-0.0000 ( 2346 PWs) bands (ev): -27.7012 -27.7012 -27.4148 -27.4148 -27.1429 -27.1429 -9.8663 -9.8663 -9.7604 -9.7604 -9.5202 -9.5202 -9.1201 -9.1201 -8.8197 -8.8197 -8.6964 -8.6964 -8.1009 -8.1009 -7.6024 -7.6024 -7.4185 -7.4185 0.2673 0.2673 0.2988 0.2988 9.0629 9.0629 9.4148 9.4148 9.6555 9.6555 10.4528 10.4528 11.4618 11.4618 11.6155 11.6155 12.4318 12.4318 15.6676 15.6676 16.1946 16.1946 16.3643 16.3643 k = 0.4198 0.4277-0.0000 ( 2348 PWs) bands (ev): -27.7009 -27.7009 -27.4087 -27.4087 -27.1493 -27.1493 -9.8609 -9.8609 -9.7610 -9.7610 -9.5223 -9.5223 -9.1261 -9.1261 -8.8263 -8.8263 -8.7093 -8.7093 -8.0781 -8.0781 -7.6113 -7.6113 -7.4111 -7.4111 0.2677 0.2677 0.3008 0.3008 9.0864 9.0864 9.4198 9.4198 9.6694 9.6694 10.4048 10.4048 11.4679 11.4679 11.6116 11.6116 12.4051 12.4051 15.6841 15.6841 16.2113 16.2113 16.3890 16.3890 k = 0.4136 0.4384-0.0000 ( 2352 PWs) bands (ev): -27.7006 -27.7006 -27.4021 -27.4021 -27.1562 -27.1562 -9.8555 -9.8555 -9.7613 -9.7613 -9.5248 -9.5248 -9.1325 -9.1325 -8.8326 -8.8326 -8.7214 -8.7214 -8.0554 -8.0554 -7.6205 -7.6205 -7.4039 -7.4039 0.2682 0.2682 0.3028 0.3028 9.1116 9.1116 9.4261 9.4261 9.6830 9.6830 10.3544 10.3544 11.4744 11.4744 11.6076 11.6076 12.3781 12.3781 15.7024 15.7024 16.2244 16.2244 16.4176 16.4176 k = 0.4074 0.4491-0.0000 ( 2352 PWs) bands (ev): -27.7003 -27.7003 -27.3951 -27.3951 -27.1635 -27.1635 -9.8502 -9.8502 -9.7612 -9.7612 -9.5276 -9.5276 -9.1392 -9.1392 -8.8388 -8.8388 -8.7326 -8.7326 -8.0330 -8.0330 -7.6300 -7.6300 -7.3970 -7.3970 0.2689 0.2689 0.3047 0.3047 9.1385 9.1385 9.4338 9.4338 9.6962 9.6962 10.3017 10.3017 11.4814 11.4814 11.6033 11.6033 12.3511 12.3511 15.7224 15.7224 16.2347 16.2347 16.4490 16.4490 k = 0.4012 0.4597-0.0000 ( 2364 PWs) bands (ev): -27.7000 -27.7000 -27.3876 -27.3876 -27.1713 -27.1713 -9.8451 -9.8451 -9.7605 -9.7605 -9.5310 -9.5310 -9.1462 -9.1462 -8.8446 -8.8446 -8.7429 -8.7429 -8.0110 -8.0110 -7.6399 -7.6399 -7.3905 -7.3905 0.2697 0.2697 0.3063 0.3063 9.1670 9.1670 9.4427 9.4427 9.7087 9.7087 10.2471 10.2471 11.4886 11.4886 11.5990 11.5990 12.3244 12.3244 15.7439 15.7439 16.2431 16.2431 16.4821 16.4821 k = 0.3951 0.4704-0.0000 ( 2356 PWs) bands (ev): -27.6997 -27.6997 -27.3797 -27.3797 -27.1795 -27.1795 -9.8404 -9.8404 -9.7590 -9.7590 -9.5348 -9.5348 -9.1531 -9.1531 -8.8501 -8.8501 -8.7520 -8.7520 -7.9892 -7.9892 -7.6500 -7.6500 -7.3842 -7.3842 0.2707 0.2707 0.3078 0.3078 9.1970 9.1970 9.4530 9.4530 9.7207 9.7207 10.1907 10.1907 11.4963 11.4963 11.5947 11.5947 12.2982 12.2982 15.7666 15.7666 16.2502 16.2502 16.5161 16.5162 k = 0.3889 0.4811-0.0000 ( 2352 PWs) bands (ev): -27.6994 -27.6994 -27.3714 -27.3714 -27.1881 -27.1881 -9.8363 -9.8363 -9.7567 -9.7567 -9.5391 -9.5391 -9.1599 -9.1599 -8.8551 -8.8551 -8.7602 -8.7602 -7.9681 -7.9681 -7.6604 -7.6604 -7.3785 -7.3785 0.2720 0.2720 0.3089 0.3089 9.2285 9.2285 9.4646 9.4646 9.7318 9.7318 10.1329 10.1329 11.5042 11.5042 11.5903 11.5903 12.2730 12.2730 15.7901 15.7901 16.2568 16.2568 16.5502 16.5503 k = 0.3827 0.4918-0.0000 ( 2352 PWs) bands (ev): -27.6991 -27.6991 -27.3627 -27.3627 -27.1971 -27.1971 -9.8328 -9.8328 -9.7533 -9.7533 -9.5441 -9.5441 -9.1665 -9.1665 -8.8597 -8.8597 -8.7673 -8.7673 -7.9477 -7.9477 -7.6710 -7.6710 -7.3732 -7.3732 0.2735 0.2735 0.3097 0.3097 9.2614 9.2614 9.4773 9.4773 9.7420 9.7420 10.0740 10.0740 11.5123 11.5123 11.5860 11.5860 12.2489 12.2489 15.8140 15.8140 16.2633 16.2633 16.5830 16.5843 k = 0.3765 0.5025-0.0000 ( 2356 PWs) bands (ev): -27.6988 -27.6988 -27.3537 -27.3537 -27.2064 -27.2064 -9.8302 -9.8302 -9.7490 -9.7490 -9.5495 -9.5495 -9.1726 -9.1726 -8.8638 -8.8638 -8.7735 -8.7735 -7.9281 -7.9281 -7.6819 -7.6819 -7.3685 -7.3685 0.2752 0.2752 0.3100 0.3100 9.2956 9.2956 9.4912 9.4912 9.7513 9.7513 10.0141 10.0141 11.5203 11.5203 11.5818 11.5818 12.2264 12.2264 15.8376 15.8376 16.2704 16.2704 16.5706 16.5706 k = 0.3704 0.5132-0.0000 ( 2354 PWs) bands (ev): -27.6986 -27.6986 -27.3442 -27.3442 -27.2161 -27.2161 -9.8282 -9.8282 -9.7439 -9.7439 -9.5554 -9.5554 -9.1782 -9.1782 -8.8674 -8.8674 -8.7787 -8.7787 -7.9095 -7.9095 -7.6927 -7.6927 -7.3644 -7.3644 0.2772 0.2772 0.3099 0.3099 9.3309 9.3309 9.5062 9.5062 9.7595 9.7595 9.9536 9.9536 11.5282 11.5282 11.5778 11.5778 12.2057 12.2057 15.8604 15.8604 16.2786 16.2786 16.5445 16.5445 k = 0.3642 0.5239-0.0000 ( 2362 PWs) bands (ev): -27.6983 -27.6983 -27.3344 -27.3344 -27.2262 -27.2262 -9.8270 -9.8270 -9.7382 -9.7382 -9.5617 -9.5617 -9.1830 -9.1830 -8.8706 -8.8706 -8.7829 -8.7829 -7.8921 -7.8921 -7.7035 -7.7035 -7.3608 -7.3608 0.2795 0.2795 0.3093 0.3093 9.3671 9.3671 9.5223 9.5223 9.7666 9.7666 9.8926 9.8926 11.5357 11.5357 11.5740 11.5740 12.1871 12.1871 15.8816 15.8816 16.2886 16.2886 16.5181 16.5181 k = 0.3580 0.5346-0.0000 ( 2354 PWs) bands (ev): -27.6981 -27.6981 -27.3243 -27.3243 -27.2365 -27.2365 -9.8261 -9.8261 -9.7322 -9.7322 -9.5680 -9.5680 -9.1871 -9.1871 -8.8731 -8.8731 -8.7862 -8.7862 -7.8761 -7.8761 -7.7138 -7.7138 -7.3578 -7.3578 0.2822 0.2822 0.3081 0.3081 9.4041 9.4041 9.5393 9.5393 9.7725 9.7725 9.8317 9.8317 11.5427 11.5427 11.5705 11.5705 12.1712 12.1712 15.9004 15.9004 16.3010 16.3010 16.4916 16.4916 k = 0.3519 0.5453-0.0000 ( 2358 PWs) bands (ev): -27.6979 -27.6979 -27.3138 -27.3138 -27.2472 -27.2472 -9.8256 -9.8256 -9.7265 -9.7265 -9.5740 -9.5740 -9.1903 -9.1903 -8.8752 -8.8752 -8.7887 -8.7887 -7.8622 -7.8622 -7.7234 -7.7234 -7.3554 -7.3554 0.2852 0.2852 0.3063 0.3063 9.4415 9.4415 9.5572 9.5572 9.7700 9.7700 9.7783 9.7783 11.5489 11.5489 11.5673 11.5673 12.1583 12.1583 15.9158 15.9158 16.3163 16.3163 16.4649 16.4649 k = 0.3457 0.5560-0.0000 ( 2360 PWs) bands (ev): -27.6978 -27.6978 -27.3031 -27.3031 -27.2581 -27.2581 -9.8254 -9.8254 -9.7216 -9.7216 -9.5792 -9.5792 -9.1926 -9.1926 -8.8767 -8.8767 -8.7904 -8.7904 -7.8510 -7.8510 -7.7314 -7.7314 -7.3538 -7.3538 0.2885 0.2885 0.3038 0.3038 9.4785 9.4785 9.5759 9.5759 9.7115 9.7115 9.7807 9.7807 11.5540 11.5540 11.5645 11.5645 12.1486 12.1486 15.9272 15.9272 16.3352 16.3352 16.4380 16.4380 k = 0.3395 0.5667-0.0000 ( 2356 PWs) bands (ev): -27.6977 -27.6977 -27.2920 -27.2920 -27.2692 -27.2692 -9.8253 -9.8253 -9.7182 -9.7182 -9.5827 -9.5827 -9.1939 -9.1939 -8.8775 -8.8775 -8.7914 -8.7914 -7.8436 -7.8436 -7.7368 -7.7368 -7.3527 -7.3527 0.2923 0.2923 0.3005 0.3005 9.5128 9.5128 9.5953 9.5953 9.6558 9.6558 9.7827 9.7827 11.5579 11.5579 11.5622 11.5622 12.1426 12.1426 15.9342 15.9342 16.3575 16.3575 16.4111 16.4111 k = 0.3333 0.5774-0.0000 ( 2364 PWs) bands (ev): -27.6977 -27.6977 -27.2807 -27.2807 -27.2806 -27.2806 -9.8253 -9.8253 -9.7170 -9.7170 -9.5841 -9.5841 -9.1944 -9.1944 -8.8779 -8.8779 -8.7917 -8.7917 -7.8410 -7.8410 -7.7388 -7.7388 -7.3525 -7.3525 0.2963 0.2963 0.2967 0.2967 9.5323 9.5323 9.6129 9.6129 9.6179 9.6179 9.7834 9.7834 11.5600 11.5600 11.5607 11.5607 12.1405 12.1405 15.9364 15.9364 16.3800 16.3800 16.3872 16.3872 k = 0.3333 0.5774-0.0000 ( 2364 PWs) bands (ev): -27.6977 -27.6977 -27.2807 -27.2807 -27.2806 -27.2806 -9.8253 -9.8253 -9.7170 -9.7170 -9.5841 -9.5841 -9.1944 -9.1944 -8.8779 -8.8779 -8.7917 -8.7917 -7.8410 -7.8410 -7.7388 -7.7388 -7.3525 -7.3525 0.2963 0.2963 0.2967 0.2967 9.5323 9.5323 9.6129 9.6129 9.6179 9.6179 9.7834 9.7834 11.5600 11.5600 11.5607 11.5607 12.1405 12.1405 15.9364 15.9364 16.3800 16.3800 16.3872 16.3872 k = 0.3272 0.5667-0.0000 ( 2360 PWs) bands (ev): -27.6977 -27.6977 -27.2922 -27.2922 -27.2690 -27.2690 -9.8253 -9.8253 -9.7183 -9.7183 -9.5826 -9.5826 -9.1939 -9.1939 -8.8776 -8.8776 -8.7914 -8.7914 -7.8436 -7.8436 -7.7369 -7.7369 -7.3528 -7.3528 0.2917 0.2917 0.3011 0.3011 9.5058 9.5058 9.6216 9.6216 9.6364 9.6364 9.7827 9.7827 11.5590 11.5590 11.5611 11.5611 12.1426 12.1426 15.9342 15.9342 16.3558 16.3558 16.4125 16.4125 k = 0.3210 0.5560-0.0000 ( 2360 PWs) bands (ev): -27.6978 -27.6978 -27.3040 -27.3040 -27.2571 -27.2571 -9.8254 -9.8254 -9.7222 -9.7222 -9.5782 -9.5782 -9.1927 -9.1927 -8.8767 -8.8767 -8.7905 -8.7905 -7.8506 -7.8506 -7.7319 -7.7319 -7.3538 -7.3538 0.2860 0.2860 0.3062 0.3062 9.4547 9.4547 9.6516 9.6516 9.6593 9.6593 9.7808 9.7808 11.5582 11.5582 11.5601 11.5601 12.1491 12.1491 15.9276 15.9276 16.3280 16.3280 16.4428 16.4428 k = 0.3148 0.5453-0.0000 ( 2358 PWs) bands (ev): -27.6980 -27.6980 -27.3159 -27.3159 -27.2450 -27.2450 -9.8255 -9.8255 -9.7283 -9.7283 -9.5711 -9.5711 -9.1906 -9.1906 -8.8752 -8.8752 -8.7891 -8.7891 -7.8609 -7.8609 -7.7249 -7.7249 -7.3555 -7.3555 0.2794 0.2794 0.3118 0.3118 9.3997 9.3997 9.6759 9.6759 9.6924 9.6924 9.7777 9.7777 11.5570 11.5570 11.5584 11.5584 12.1601 12.1601 15.9171 15.9171 16.2995 16.2995 16.4738 16.4738 k = 0.3086 0.5346-0.0000 ( 2354 PWs) bands (ev): -27.6983 -27.6983 -27.3279 -27.3279 -27.2327 -27.2327 -9.8259 -9.8259 -9.7359 -9.7359 -9.5616 -9.5616 -9.1879 -9.1879 -8.8732 -8.8732 -8.7871 -8.7871 -7.8735 -7.8735 -7.7169 -7.7169 -7.3578 -7.3578 0.2719 0.2719 0.3179 0.3179 9.3445 9.3445 9.6967 9.6967 9.7294 9.7294 9.7739 9.7739 11.5525 11.5525 11.5589 11.5589 12.1756 12.1756 15.9030 15.9030 16.2702 16.2702 16.5034 16.5034 k = 0.3025 0.5239-0.0000 ( 2350 PWs) bands (ev): -27.6987 -27.6987 -27.3400 -27.3400 -27.2202 -27.2202 -9.8268 -9.8268 -9.7442 -9.7442 -9.5503 -9.5503 -9.1845 -9.1845 -8.8707 -8.8707 -8.7847 -8.7847 -7.8876 -7.8876 -7.7088 -7.7088 -7.3608 -7.3608 0.2634 0.2634 0.3245 0.3245 9.2902 9.2902 9.7157 9.7157 9.7642 9.7642 9.7726 9.7726 11.5462 11.5462 11.5601 11.5601 12.1955 12.1955 15.8857 15.8857 16.2399 16.2399 16.5290 16.5290 k = 0.2963 0.5132-0.0000 ( 2350 PWs) bands (ev): -27.6991 -27.6991 -27.3522 -27.3522 -27.2076 -27.2076 -9.8285 -9.8285 -9.7522 -9.7522 -9.5377 -9.5377 -9.1805 -9.1805 -8.8678 -8.8678 -8.7818 -8.7818 -7.9029 -7.9029 -7.7008 -7.7008 -7.3644 -7.3644 0.2540 0.2540 0.3316 0.3316 9.2372 9.2372 9.7298 9.7298 9.7688 9.7688 9.8041 9.8041 11.5384 11.5384 11.5619 11.5619 12.2196 12.2196 15.8655 15.8655 16.2084 16.2084 16.5475 16.5475 k = 0.2901 0.5025-0.0000 ( 2346 PWs) bands (ev): -27.6998 -27.6998 -27.3644 -27.3644 -27.1947 -27.1947 -9.8314 -9.8314 -9.7592 -9.7592 -9.5239 -9.5239 -9.1760 -9.1760 -8.8644 -8.8644 -8.7783 -8.7783 -7.9191 -7.9191 -7.6933 -7.6933 -7.3687 -7.3687 0.2436 0.2436 0.3393 0.3393 9.1858 9.1858 9.7328 9.7328 9.7781 9.7781 9.8394 9.8394 11.5291 11.5291 11.5645 11.5645 12.2479 12.2479 15.8429 15.8429 16.1754 16.1754 16.5556 16.5556 k = 0.2840 0.4918-0.0000 ( 2352 PWs) bands (ev): -27.7005 -27.7005 -27.3767 -27.3767 -27.1818 -27.1818 -9.8362 -9.8362 -9.7643 -9.7643 -9.5092 -9.5092 -9.1710 -9.1710 -8.8607 -8.8607 -8.7745 -8.7745 -7.9361 -7.9361 -7.6865 -7.6865 -7.3736 -7.3736 0.2321 0.2321 0.3474 0.3474 9.1362 9.1362 9.7268 9.7268 9.7948 9.7948 9.8733 9.8733 11.5185 11.5185 11.5677 11.5677 12.2801 12.2801 15.8179 15.8179 16.1406 16.1406 16.5515 16.5516 k = 0.2778 0.4811-0.0000 ( 2352 PWs) bands (ev): -27.7014 -27.7014 -27.3888 -27.3888 -27.1687 -27.1687 -9.8427 -9.8427 -9.7671 -9.7671 -9.4939 -9.4939 -9.1656 -9.1656 -8.8566 -8.8566 -8.7701 -8.7701 -7.9536 -7.9536 -7.6804 -7.6804 -7.3790 -7.3790 0.2196 0.2196 0.3562 0.3562 9.0885 9.0885 9.7167 9.7167 9.8139 9.8139 9.9056 9.9056 11.5067 11.5067 11.5715 11.5715 12.3161 12.3161 15.7912 15.7912 16.1038 16.1038 16.5357 16.5357 k = 0.2716 0.4704-0.0000 ( 2352 PWs) bands (ev): -27.7025 -27.7025 -27.4009 -27.4009 -27.1555 -27.1555 -9.8509 -9.8509 -9.7677 -9.7677 -9.4780 -9.4780 -9.1598 -9.1598 -8.8524 -8.8524 -8.7653 -8.7653 -7.9717 -7.9717 -7.6751 -7.6751 -7.3850 -7.3850 0.2061 0.2061 0.3654 0.3654 9.0429 9.0429 9.7045 9.7045 9.8335 9.8335 9.9360 9.9360 11.4937 11.4937 11.5760 11.5760 12.3558 12.3558 15.7628 15.7628 16.0647 16.0647 16.5097 16.5097 k = 0.2654 0.4597-0.0000 ( 2352 PWs) bands (ev): -27.7038 -27.7038 -27.4129 -27.4129 -27.1422 -27.1422 -9.8602 -9.8602 -9.7663 -9.7663 -9.4617 -9.4617 -9.1537 -9.1537 -8.8480 -8.8480 -8.7599 -8.7599 -7.9902 -7.9902 -7.6707 -7.6707 -7.3914 -7.3914 0.1915 0.1915 0.3753 0.3753 8.9995 8.9995 9.6908 9.6908 9.8530 9.8530 9.9642 9.9642 11.4795 11.4795 11.5810 11.5810 12.3988 12.3988 15.7331 15.7331 16.0233 16.0233 16.4755 16.4755 k = 0.2593 0.4491-0.0000 ( 2352 PWs) bands (ev): -27.7052 -27.7052 -27.4248 -27.4248 -27.1289 -27.1289 -9.8702 -9.8702 -9.7634 -9.7634 -9.4450 -9.4450 -9.1473 -9.1473 -8.8435 -8.8435 -8.7540 -8.7540 -8.0092 -8.0092 -7.6671 -7.6671 -7.3983 -7.3983 0.1760 0.1760 0.3856 0.3856 8.9585 8.9585 9.6760 9.6760 9.8720 9.8720 9.9901 9.9901 11.4641 11.4641 11.5865 11.5865 12.4451 12.4451 15.7023 15.7023 15.9794 15.9794 16.4346 16.4346 k = 0.2531 0.4384-0.0000 ( 2356 PWs) bands (ev): -27.7069 -27.7069 -27.4365 -27.4365 -27.1156 -27.1156 -9.8804 -9.8804 -9.7591 -9.7591 -9.4281 -9.4281 -9.1407 -9.1407 -8.8390 -8.8390 -8.7477 -8.7477 -8.0285 -8.0285 -7.6644 -7.6644 -7.4056 -7.4056 0.1594 0.1594 0.3966 0.3966 8.9199 8.9199 9.6601 9.6601 9.8903 9.8903 10.0136 10.0136 11.4475 11.4475 11.5925 11.5925 12.4943 12.4943 15.6706 15.6706 15.9331 15.9331 16.3885 16.3885 k = 0.2469 0.4277-0.0000 ( 2362 PWs) bands (ev): -27.7089 -27.7089 -27.4479 -27.4479 -27.1022 -27.1022 -9.8905 -9.8905 -9.7539 -9.7539 -9.4110 -9.4110 -9.1338 -9.1338 -8.8345 -8.8345 -8.7408 -8.7408 -8.0481 -8.0481 -7.6627 -7.6627 -7.4133 -7.4133 0.1418 0.1418 0.4080 0.4080 8.8839 8.8839 9.6434 9.6434 9.9078 9.9078 10.0345 10.0345 11.4296 11.4296 11.5989 11.5989 12.5463 12.5463 15.6384 15.6384 15.8845 15.8845 16.3378 16.3378 k = 0.2407 0.4170-0.0000 ( 2366 PWs) bands (ev): -27.7111 -27.7111 -27.4591 -27.4591 -27.0888 -27.0888 -9.9002 -9.9002 -9.7478 -9.7478 -9.3937 -9.3937 -9.1268 -9.1268 -8.8301 -8.8301 -8.7335 -8.7335 -8.0681 -8.0681 -7.6618 -7.6618 -7.4213 -7.4213 0.1232 0.1232 0.4200 0.4200 8.8505 8.8505 9.6260 9.6260 9.9245 9.9245 10.0529 10.0529 11.4104 11.4104 11.6056 11.6056 12.6006 12.6006 15.6058 15.6058 15.8338 15.8338 16.2836 16.2836 k = 0.2346 0.4063-0.0000 ( 2358 PWs) bands (ev): -27.7136 -27.7136 -27.4699 -27.4699 -27.0755 -27.0755 -9.9095 -9.9095 -9.7408 -9.7408 -9.3764 -9.3764 -9.1196 -9.1196 -8.8257 -8.8257 -8.7256 -8.7256 -8.0883 -8.0883 -7.6617 -7.6617 -7.4295 -7.4295 0.1037 0.1037 0.4324 0.4324 8.8199 8.8199 9.6081 9.6081 9.9401 9.9401 10.0686 10.0686 11.3897 11.3897 11.6126 11.6126 12.6570 12.6570 15.5731 15.5731 15.7812 15.7812 16.2263 16.2263 k = 0.2284 0.3956-0.0000 ( 2358 PWs) bands (ev): -27.7164 -27.7164 -27.4804 -27.4804 -27.0622 -27.0622 -9.9180 -9.9180 -9.7331 -9.7331 -9.3591 -9.3591 -9.1123 -9.1123 -8.8215 -8.8215 -8.7174 -8.7174 -8.1088 -8.1088 -7.6624 -7.6624 -7.4380 -7.4380 0.0832 0.0832 0.4454 0.4454 8.7921 8.7921 9.5898 9.5898 9.9547 9.9547 10.0818 10.0818 11.3676 11.3676 11.6197 11.6197 12.7150 12.7150 15.5403 15.5403 15.7270 15.7270 16.1666 16.1666 k = 0.2222 0.3849-0.0000 ( 2362 PWs) bands (ev): -27.7196 -27.7196 -27.4905 -27.4905 -27.0490 -27.0490 -9.9259 -9.9259 -9.7248 -9.7248 -9.3418 -9.3418 -9.1049 -9.1049 -8.8175 -8.8175 -8.7088 -8.7088 -8.1295 -8.1295 -7.6641 -7.6641 -7.4466 -7.4466 0.0619 0.0619 0.4588 0.4588 8.7671 8.7671 9.5711 9.5711 9.9680 9.9680 10.0924 10.0924 11.3439 11.3439 11.6269 11.6269 12.7740 12.7740 15.5076 15.5076 15.6715 15.6715 16.1049 16.1049 k = 0.2160 0.3742-0.0000 ( 2362 PWs) bands (ev): -27.7231 -27.7231 -27.5002 -27.5002 -27.0358 -27.0358 -9.9329 -9.9329 -9.7159 -9.7159 -9.3248 -9.3248 -9.0975 -9.0975 -8.8136 -8.8136 -8.6998 -8.6998 -8.1503 -8.1503 -7.6665 -7.6665 -7.4554 -7.4554 0.0397 0.0397 0.4726 0.4726 8.7451 8.7451 9.5523 9.5523 9.9802 9.9802 10.1004 10.1004 11.3186 11.3186 11.6342 11.6342 12.8334 12.8334 15.4751 15.4751 15.6149 15.6149 16.0421 16.0421 k = 0.2099 0.3635-0.0000 ( 2358 PWs) bands (ev): -27.7270 -27.7270 -27.5094 -27.5094 -27.0228 -27.0228 -9.9390 -9.9390 -9.7064 -9.7064 -9.3079 -9.3079 -9.0901 -9.0901 -8.8098 -8.8098 -8.6906 -8.6906 -8.1713 -8.1713 -7.6696 -7.6696 -7.4641 -7.4641 0.0167 0.0167 0.4869 0.4869 8.7260 8.7260 9.5335 9.5335 9.9910 9.9910 10.1061 10.1061 11.2917 11.2917 11.6413 11.6413 12.8926 12.8926 15.4428 15.4428 15.5575 15.5575 15.9788 15.9788 k = 0.2037 0.3528-0.0000 ( 2356 PWs) bands (ev): -27.7312 -27.7312 -27.5181 -27.5181 -27.0098 -27.0098 -9.9442 -9.9442 -9.6964 -9.6964 -9.2912 -9.2912 -9.0827 -9.0827 -8.8063 -8.8063 -8.6812 -8.6812 -8.1923 -8.1923 -7.6735 -7.6735 -7.4729 -7.4729 -0.0070 -0.0070 0.5015 0.5015 8.7100 8.7100 9.5149 9.5149 10.0005 10.0005 10.1094 10.1094 11.2633 11.2633 11.6483 11.6483 12.9507 12.9507 15.4106 15.4106 15.4997 15.4997 15.9159 15.9159 k = 0.1975 0.3421-0.0000 ( 2356 PWs) bands (ev): -27.7358 -27.7358 -27.5263 -27.5263 -26.9970 -26.9970 -9.9484 -9.9484 -9.6860 -9.6860 -9.2749 -9.2749 -9.0754 -9.0754 -8.8029 -8.8029 -8.6717 -8.6717 -8.2134 -8.2134 -7.6781 -7.6781 -7.4817 -7.4817 -0.0314 -0.0314 0.5165 0.5165 8.6971 8.6971 9.4964 9.4964 10.0085 10.0085 10.1105 10.1105 11.2332 11.2332 11.6550 11.6550 13.0068 13.0068 15.3780 15.3780 15.4416 15.4416 15.8548 15.8548 k = 0.1914 0.3314-0.0000 ( 2356 PWs) bands (ev): -27.7408 -27.7408 -27.5339 -27.5339 -26.9844 -26.9844 -9.9515 -9.9515 -9.6751 -9.6751 -9.2590 -9.2590 -9.0681 -9.0681 -8.7997 -8.7997 -8.6621 -8.6621 -8.2344 -8.2344 -7.6833 -7.6833 -7.4903 -7.4903 -0.0564 -0.0564 0.5318 0.5318 8.6872 8.6872 9.4784 9.4784 10.0151 10.0151 10.1096 10.1096 11.2017 11.2017 11.6614 11.6614 13.0597 13.0597 15.3446 15.3446 15.3835 15.3835 15.7970 15.7970 k = 0.1852 0.3208-0.0000 ( 2360 PWs) bands (ev): -27.7461 -27.7461 -27.5410 -27.5410 -26.9720 -26.9720 -9.9536 -9.9536 -9.6637 -9.6637 -9.2437 -9.2437 -9.0609 -9.0609 -8.7967 -8.7967 -8.6526 -8.6526 -8.2553 -8.2553 -7.6890 -7.6890 -7.4989 -7.4989 -0.0819 -0.0819 0.5474 0.5474 8.6804 8.6804 9.4608 9.4608 10.0202 10.0202 10.1067 10.1067 11.1688 11.1688 11.6674 11.6674 13.1085 13.1085 15.3092 15.3092 15.3258 15.3258 15.7445 15.7445 k = 0.1790 0.3101-0.0000 ( 2352 PWs) bands (ev): -27.7518 -27.7518 -27.5476 -27.5476 -26.9598 -26.9598 -9.9546 -9.9546 -9.6520 -9.6520 -9.2289 -9.2289 -9.0537 -9.0537 -8.7939 -8.7939 -8.6431 -8.6431 -8.2760 -8.2760 -7.6952 -7.6952 -7.5072 -7.5072 -0.1079 -0.1079 0.5632 0.5632 8.6768 8.6768 9.4439 9.4439 10.0238 10.0238 10.1019 10.1019 11.1347 11.1347 11.6729 11.6729 13.1519 13.1519 15.2660 15.2660 15.2738 15.2738 15.6997 15.6997 k = 0.1728 0.2994-0.0000 ( 2344 PWs) bands (ev): -27.7578 -27.7578 -27.5536 -27.5536 -26.9477 -26.9477 -9.9545 -9.9545 -9.6400 -9.6400 -9.2148 -9.2148 -9.0465 -9.0465 -8.7913 -8.7913 -8.6338 -8.6338 -8.2964 -8.2964 -7.7018 -7.7018 -7.5152 -7.5152 -0.1344 -0.1344 0.5791 0.5791 8.6763 8.6763 9.4277 9.4277 10.0259 10.0259 10.0955 10.0955 11.0994 11.0994 11.6778 11.6778 13.1886 13.1886 15.2100 15.2100 15.2313 15.2313 15.6651 15.6651 k = 0.1667 0.2887-0.0000 ( 2350 PWs) bands (ev): -27.7640 -27.7640 -27.5592 -27.5592 -26.9360 -26.9360 -9.9533 -9.9533 -9.6277 -9.6277 -9.2015 -9.2015 -9.0395 -9.0395 -8.7891 -8.7891 -8.6249 -8.6249 -8.3166 -8.3166 -7.7088 -7.7088 -7.5231 -7.5231 -0.1611 -0.1611 0.5952 0.5952 8.6788 8.6788 9.4124 9.4124 10.0264 10.0264 10.0874 10.0874 11.0632 11.0632 11.6822 11.6822 13.2174 13.2174 15.1537 15.1537 15.1855 15.1855 15.6424 15.6424 k = 0.1605 0.2780-0.0000 ( 2354 PWs) bands (ev): -27.7705 -27.7705 -27.5642 -27.5642 -26.9244 -26.9244 -9.9511 -9.9511 -9.6152 -9.6152 -9.1892 -9.1892 -9.0324 -9.0324 -8.7872 -8.7872 -8.6163 -8.6163 -8.3362 -8.3362 -7.7161 -7.7161 -7.5308 -7.5308 -0.1881 -0.1881 0.6114 0.6114 8.6845 8.6845 9.3979 9.3979 10.0253 10.0253 10.0779 10.0779 11.0262 11.0262 11.6859 11.6859 13.2372 13.2372 15.0981 15.0981 15.1356 15.1356 15.6328 15.6328 k = 0.1543 0.2673-0.0000 ( 2350 PWs) bands (ev): -27.7772 -27.7772 -27.5688 -27.5688 -26.9132 -26.9132 -9.9476 -9.9476 -9.6025 -9.6025 -9.1779 -9.1779 -9.0253 -9.0253 -8.7856 -8.7856 -8.6082 -8.6082 -8.3552 -8.3552 -7.7235 -7.7235 -7.5380 -7.5380 -0.2152 -0.2152 0.6276 0.6276 8.6932 8.6932 9.3846 9.3846 10.0226 10.0226 10.0671 10.0671 10.9886 10.9886 11.6890 11.6890 13.2473 13.2473 15.0435 15.0435 15.0826 15.0826 15.6368 15.6368 k = 0.1481 0.2566-0.0000 ( 2348 PWs) bands (ev): -27.7841 -27.7841 -27.5729 -27.5729 -26.9022 -26.9022 -9.9431 -9.9431 -9.5896 -9.5896 -9.1679 -9.1679 -9.0179 -9.0179 -8.7845 -8.7845 -8.6006 -8.6006 -8.3735 -8.3735 -7.7310 -7.7310 -7.5450 -7.5450 -0.2424 -0.2424 0.6438 0.6438 8.7049 8.7049 9.3724 9.3724 10.0183 10.0183 10.0550 10.0550 10.9507 10.9507 11.6914 11.6914 13.2470 13.2470 14.9900 14.9900 15.0275 15.0275 15.6538 15.6538 k = 0.1420 0.2459-0.0000 ( 2348 PWs) bands (ev): -27.7910 -27.7910 -27.5767 -27.5767 -26.8916 -26.8916 -9.9375 -9.9375 -9.5767 -9.5767 -9.1592 -9.1592 -9.0104 -9.0104 -8.7838 -8.7838 -8.5937 -8.5937 -8.3909 -8.3909 -7.7385 -7.7385 -7.5515 -7.5515 -0.2695 -0.2695 0.6599 0.6599 8.7196 8.7196 9.3613 9.3613 10.0124 10.0124 10.0419 10.0419 10.9126 10.9126 11.6931 11.6931 13.2362 13.2362 14.9377 14.9377 14.9717 14.9717 15.6832 15.6832 k = 0.1358 0.2352-0.0000 ( 2348 PWs) bands (ev): -27.7980 -27.7980 -27.5801 -27.5801 -26.8813 -26.8813 -9.9307 -9.9307 -9.5638 -9.5638 -9.1520 -9.1520 -9.0026 -9.0026 -8.7837 -8.7837 -8.5875 -8.5875 -8.4073 -8.4073 -7.7460 -7.7460 -7.5577 -7.5577 -0.2965 -0.2965 0.6759 0.6759 8.7372 8.7372 9.3516 9.3516 10.0049 10.0049 10.0278 10.0278 10.8745 10.8745 11.6942 11.6942 13.2150 13.2150 14.8867 14.8867 14.9162 14.9162 15.7239 15.7239 k = 0.1296 0.2245-0.0000 ( 2344 PWs) bands (ev): -27.8049 -27.8049 -27.5831 -27.5831 -26.8713 -26.8713 -9.9229 -9.9229 -9.5509 -9.5509 -9.1464 -9.1464 -8.9944 -8.9944 -8.7841 -8.7841 -8.5821 -8.5821 -8.4226 -8.4226 -7.7534 -7.7534 -7.5635 -7.5635 -0.3232 -0.3232 0.6917 0.6917 8.7577 8.7577 9.3432 9.3432 9.9956 9.9956 10.0131 10.0131 10.8365 10.8365 11.6947 11.6947 13.1840 13.1840 14.8373 14.8373 14.8618 14.8618 15.7750 15.7750 k = 0.1235 0.2138-0.0000 ( 2336 PWs) bands (ev): -27.8118 -27.8118 -27.5858 -27.5858 -26.8616 -26.8616 -9.9140 -9.9140 -9.5382 -9.5382 -9.1425 -9.1425 -8.9858 -8.9858 -8.7851 -8.7851 -8.5776 -8.5776 -8.4365 -8.4365 -7.7605 -7.7605 -7.5688 -7.5688 -0.3496 -0.3496 0.7073 0.7073 8.7808 8.7808 9.3363 9.3363 9.9845 9.9845 9.9980 9.9980 10.7989 10.7989 11.6945 11.6945 13.1441 13.1441 14.7894 14.7894 14.8092 14.8092 15.8353 15.8353 k = 0.1173 0.2031-0.0000 ( 2330 PWs) bands (ev): -27.8186 -27.8186 -27.5883 -27.5883 -26.8524 -26.8524 -9.9041 -9.9041 -9.5259 -9.5259 -9.1403 -9.1403 -8.9768 -8.9768 -8.7868 -8.7868 -8.5741 -8.5741 -8.4492 -8.4492 -7.7674 -7.7674 -7.5737 -7.5737 -0.3756 -0.3756 0.7225 0.7225 8.8066 8.8066 9.3308 9.3308 9.9713 9.9713 9.9829 9.9829 10.7618 10.7618 11.6938 11.6938 13.0964 13.0964 14.7431 14.7431 14.7586 14.7586 15.9036 15.9036 k = 0.1111 0.1925-0.0000 ( 2334 PWs) bands (ev): -27.8253 -27.8253 -27.5905 -27.5905 -26.8435 -26.8435 -9.8932 -9.8932 -9.5139 -9.5139 -9.1398 -9.1398 -8.9675 -8.9675 -8.7891 -8.7891 -8.5715 -8.5715 -8.4605 -8.4605 -7.7741 -7.7741 -7.5782 -7.5782 -0.4010 -0.4010 0.7374 0.7374 8.8349 8.8349 9.3267 9.3267 9.9560 9.9560 9.9679 9.9679 10.7253 10.7253 11.6926 11.6926 13.0420 13.0420 14.6986 14.6986 14.7103 14.7103 15.9789 15.9789 k = 0.1049 0.1818-0.0000 ( 2326 PWs) bands (ev): -27.8318 -27.8318 -27.5925 -27.5925 -26.8350 -26.8350 -9.8813 -9.8813 -9.5023 -9.5023 -9.1409 -9.1409 -8.9578 -8.9578 -8.7918 -8.7918 -8.5699 -8.5699 -8.4704 -8.4704 -7.7803 -7.7803 -7.5823 -7.5823 -0.4257 -0.4257 0.7519 0.7519 8.8655 8.8655 9.3242 9.3242 9.9392 9.9392 9.9527 9.9527 10.6895 10.6895 11.6910 11.6910 12.9823 12.9823 14.6559 14.6559 14.6646 14.6646 16.0599 16.0599 k = 0.0988 0.1711-0.0000 ( 2326 PWs) bands (ev): -27.8381 -27.8381 -27.5943 -27.5943 -26.8270 -26.8270 -9.8685 -9.8685 -9.4914 -9.4914 -9.1437 -9.1437 -8.9479 -8.9479 -8.7951 -8.7951 -8.5691 -8.5691 -8.4790 -8.4790 -7.7862 -7.7862 -7.5859 -7.5859 -0.4497 -0.4497 0.7659 0.7659 8.8983 8.8983 9.3232 9.3232 9.9215 9.9215 9.9368 9.9368 10.6545 10.6545 11.6889 11.6889 12.9184 12.9184 14.6151 14.6151 14.6213 14.6213 16.1457 16.1457 k = 0.0926 0.1604-0.0000 ( 2326 PWs) bands (ev): -27.8442 -27.8442 -27.5959 -27.5959 -26.8194 -26.8194 -9.8548 -9.8548 -9.4812 -9.4812 -9.1478 -9.1478 -8.9379 -8.9379 -8.7987 -8.7987 -8.5691 -8.5691 -8.4866 -8.4866 -7.7917 -7.7917 -7.5890 -7.5890 -0.4728 -0.4728 0.7794 0.7794 8.9331 8.9331 9.3236 9.3236 9.9033 9.9033 9.9201 9.9201 10.6205 10.6205 11.6866 11.6866 12.8517 12.8517 14.5763 14.5763 14.5806 14.5806 16.2350 16.2350 k = 0.0864 0.1497-0.0000 ( 2322 PWs) bands (ev): -27.8500 -27.8500 -27.5973 -27.5973 -26.8122 -26.8122 -9.8402 -9.8402 -9.4719 -9.4719 -9.1531 -9.1531 -8.9278 -8.9278 -8.8024 -8.8024 -8.5697 -8.5697 -8.4932 -8.4932 -7.7967 -7.7967 -7.5917 -7.5917 -0.4950 -0.4950 0.7923 0.7923 8.9697 8.9697 9.3256 9.3256 9.8847 9.8847 9.9026 9.9026 10.5873 10.5873 11.6840 11.6840 12.7834 12.7834 14.5396 14.5396 14.5425 14.5425 16.3271 16.3271 k = 0.0802 0.1390-0.0000 ( 2326 PWs) bands (ev): -27.8555 -27.8555 -27.5986 -27.5986 -26.8054 -26.8054 -9.8250 -9.8250 -9.4638 -9.4638 -9.1596 -9.1596 -8.9180 -8.9180 -8.8062 -8.8062 -8.5708 -8.5708 -8.4992 -8.4992 -7.8014 -7.8014 -7.5940 -7.5940 -0.5162 -0.5162 0.8046 0.8046 9.0078 9.0078 9.3290 9.3290 9.8660 9.8660 9.8844 9.8844 10.5552 10.5552 11.6813 11.6813 12.7145 12.7145 14.5050 14.5050 14.5071 14.5071 16.4208 16.4208 k = 0.0741 0.1283-0.0000 ( 2326 PWs) bands (ev): -27.8606 -27.8606 -27.5997 -27.5997 -26.7991 -26.7991 -9.8090 -9.8090 -9.4569 -9.4569 -9.1667 -9.1667 -8.9083 -8.9083 -8.8097 -8.8097 -8.5723 -8.5723 -8.5046 -8.5046 -7.8056 -7.8056 -7.5960 -7.5960 -0.5362 -0.5362 0.8162 0.8162 9.0472 9.0472 9.3339 9.3339 9.8472 9.8472 9.8656 9.8656 10.5241 10.5241 11.6784 11.6784 12.6461 12.6461 14.4725 14.4725 14.4743 14.4743 16.5153 16.5153 k = 0.0679 0.1176-0.0000 ( 2316 PWs) bands (ev): -27.8655 -27.8655 -27.6007 -27.6007 -26.7933 -26.7933 -9.7923 -9.7923 -9.4515 -9.4515 -9.1743 -9.1743 -8.8992 -8.8992 -8.8126 -8.8126 -8.5741 -8.5741 -8.5096 -8.5096 -7.8093 -7.8093 -7.5975 -7.5975 -0.5549 -0.5549 0.8270 0.8270 9.0876 9.0876 9.3401 9.3401 9.8285 9.8285 9.8464 9.8464 10.4941 10.4941 11.6755 11.6755 12.5793 12.5793 14.4424 14.4424 14.4441 14.4441 16.6098 16.6098 k = 0.0617 0.1069-0.0000 ( 2314 PWs) bands (ev): -27.8699 -27.8699 -27.6016 -27.6016 -26.7879 -26.7879 -9.7752 -9.7752 -9.4479 -9.4479 -9.1820 -9.1820 -8.8908 -8.8908 -8.8148 -8.8148 -8.5762 -8.5762 -8.5142 -8.5142 -7.8126 -7.8126 -7.5987 -7.5987 -0.5724 -0.5724 0.8371 0.8371 9.1285 9.1285 9.3474 9.3474 9.8099 9.8099 9.8270 9.8270 10.4653 10.4653 11.6727 11.6727 12.5148 12.5148 14.4147 14.4147 14.4164 14.4164 16.7033 16.7033 k = 0.0556 0.0962-0.0000 ( 2318 PWs) bands (ev): -27.8740 -27.8740 -27.6024 -27.6024 -26.7831 -26.7831 -9.7578 -9.7578 -9.4462 -9.4462 -9.1896 -9.1896 -8.8836 -8.8836 -8.8159 -8.8159 -8.5786 -8.5786 -8.5185 -8.5185 -7.8156 -7.8156 -7.5996 -7.5996 -0.5884 -0.5884 0.8464 0.8464 9.1696 9.1696 9.3559 9.3559 9.7913 9.7913 9.8076 9.8076 10.4377 10.4377 11.6699 11.6699 12.4536 12.4536 14.3896 14.3896 14.3912 14.3912 16.7947 16.7947 k = 0.0494 0.0855-0.0000 ( 2318 PWs) bands (ev): -27.8777 -27.8777 -27.6031 -27.6031 -26.7787 -26.7787 -9.7401 -9.7401 -9.4465 -9.4465 -9.1967 -9.1967 -8.8777 -8.8777 -8.8156 -8.8156 -8.5814 -8.5814 -8.5224 -8.5224 -7.8182 -7.8182 -7.6003 -7.6003 -0.6030 -0.6030 0.8547 0.8547 9.2105 9.2105 9.3653 9.3653 9.7729 9.7729 9.7885 9.7885 10.4117 10.4117 11.6673 11.6673 12.3964 12.3964 14.3670 14.3670 14.3685 14.3685 16.8832 16.8832 k = 0.0432 0.0748-0.0000 ( 2314 PWs) bands (ev): -27.8810 -27.8810 -27.6037 -27.6037 -26.7748 -26.7748 -9.7224 -9.7224 -9.4489 -9.4489 -9.2030 -9.2030 -8.8733 -8.8733 -8.8138 -8.8138 -8.5844 -8.5844 -8.5259 -8.5259 -7.8203 -7.8203 -7.6008 -7.6008 -0.6160 -0.6160 0.8622 0.8622 9.2505 9.2505 9.3754 9.3754 9.7547 9.7547 9.7700 9.7700 10.3873 10.3873 11.6649 11.6649 12.3441 12.3441 14.3470 14.3470 14.3484 14.3484 16.9676 16.9676 k = 0.0370 0.0642-0.0000 ( 2312 PWs) bands (ev): -27.8839 -27.8839 -27.6042 -27.6042 -26.7714 -26.7714 -9.7049 -9.7049 -9.4532 -9.4532 -9.2084 -9.2084 -8.8705 -8.8705 -8.8107 -8.8107 -8.5876 -8.5876 -8.5289 -8.5289 -7.8222 -7.8222 -7.6011 -7.6011 -0.6274 -0.6274 0.8688 0.8688 9.2889 9.2889 9.3859 9.3859 9.7368 9.7368 9.7525 9.7525 10.3648 10.3648 11.6627 11.6627 12.2972 12.2972 14.3296 14.3296 14.3309 14.3309 17.0466 17.0466 k = 0.0309 0.0535-0.0000 ( 2318 PWs) bands (ev): -27.8864 -27.8864 -27.6046 -27.6046 -26.7686 -26.7686 -9.6880 -9.6880 -9.4593 -9.4593 -9.2128 -9.2128 -8.8690 -8.8690 -8.8068 -8.8068 -8.5910 -8.5910 -8.5314 -8.5314 -7.8238 -7.8238 -7.6013 -7.6013 -0.6372 -0.6372 0.8744 0.8744 9.3251 9.3251 9.3964 9.3964 9.7197 9.7197 9.7359 9.7359 10.3447 10.3447 11.6608 11.6608 12.2565 12.2565 14.3148 14.3148 14.3160 14.3160 17.1188 17.1188 k = 0.0247 0.0428-0.0000 ( 2310 PWs) bands (ev): -27.8884 -27.8884 -27.6049 -27.6049 -26.7662 -26.7662 -9.6721 -9.6721 -9.4665 -9.4665 -9.2160 -9.2160 -8.8683 -8.8683 -8.8025 -8.8025 -8.5942 -8.5942 -8.5333 -8.5333 -7.8250 -7.8250 -7.6014 -7.6014 -0.6453 -0.6453 0.8790 0.8790 9.3579 9.3579 9.4066 9.4066 9.7038 9.7038 9.7208 9.7208 10.3273 10.3273 11.6592 11.6592 12.2224 12.2224 14.3027 14.3027 14.3038 14.3038 17.1823 17.1823 k = 0.0185 0.0321-0.0000 ( 2314 PWs) bands (ev): -27.8900 -27.8900 -27.6052 -27.6052 -26.7644 -26.7644 -9.6580 -9.6580 -9.4740 -9.4740 -9.2185 -9.2185 -8.8681 -8.8681 -8.7985 -8.7985 -8.5972 -8.5972 -8.5348 -8.5348 -7.8260 -7.8260 -7.6015 -7.6015 -0.6516 -0.6516 0.8826 0.8826 9.3861 9.3861 9.4158 9.4158 9.6898 9.6898 9.7076 9.7076 10.3131 10.3131 11.6579 11.6579 12.1953 12.1953 14.2932 14.2932 14.2942 14.2942 17.2349 17.2350 k = 0.0123 0.0214-0.0000 ( 2315 PWs) bands (ev): -27.8911 -27.8911 -27.6054 -27.6054 -26.7631 -26.7631 -9.6466 -9.6466 -9.4810 -9.4810 -9.2201 -9.2201 -8.8681 -8.8681 -8.7953 -8.7953 -8.5995 -8.5995 -8.5358 -8.5358 -7.8267 -7.8267 -7.6015 -7.6015 -0.6561 -0.6561 0.8852 0.8852 9.4077 9.4077 9.4237 9.4237 9.6786 9.6786 9.6970 9.6970 10.3026 10.3026 11.6570 11.6570 12.1758 12.1758 14.2864 14.2864 14.2874 14.2874 17.2740 17.2741 k = 0.0062 0.0107-0.0000 ( 2311 PWs) bands (ev): -27.8918 -27.8918 -27.6055 -27.6055 -26.7623 -26.7623 -9.6389 -9.6389 -9.4859 -9.4859 -9.2211 -9.2211 -8.8681 -8.8681 -8.7933 -8.7933 -8.6010 -8.6010 -8.5363 -8.5363 -7.8270 -7.8270 -7.6014 -7.6014 -0.6588 -0.6588 0.8868 0.8868 9.4203 9.4203 9.4303 9.4303 9.6712 9.6712 9.6902 9.6902 10.2961 10.2961 11.6564 11.6564 12.1639 12.1639 14.2823 14.2823 14.2833 14.2833 17.2964 17.2965 k = 0.0000 0.0000 0.0000 ( 2313 PWs) bands (ev): -27.8920 -27.8920 -27.6055 -27.6055 -26.7620 -26.7620 -9.6362 -9.6362 -9.4877 -9.4877 -9.2214 -9.2214 -8.8682 -8.8682 -8.7926 -8.7926 -8.6015 -8.6015 -8.5365 -8.5365 -7.8272 -7.8272 -7.6015 -7.6015 -0.6597 -0.6597 0.8873 0.8873 9.4239 9.4239 9.4335 9.4335 9.6685 9.6685 9.6878 9.6878 10.2939 10.2939 11.6562 11.6562 12.1599 12.1599 14.2809 14.2809 14.2818 14.2818 17.3029 17.3035 k = 0.0000 0.0000 0.0000 ( 2313 PWs) bands (ev): -27.8920 -27.8920 -27.6055 -27.6055 -26.7620 -26.7620 -9.6362 -9.6362 -9.4877 -9.4877 -9.2214 -9.2214 -8.8682 -8.8682 -8.7926 -8.7926 -8.6015 -8.6015 -8.5365 -8.5365 -7.8272 -7.8272 -7.6015 -7.6015 -0.6597 -0.6597 0.8873 0.8873 9.4239 9.4239 9.4335 9.4335 9.6685 9.6685 9.6878 9.6878 10.2939 10.2939 11.6562 11.6562 12.1599 12.1599 14.2809 14.2809 14.2818 14.2818 17.3028 17.3031 k = 0.0000 0.0000 0.0125 ( 2313 PWs) bands (ev): -27.8919 -27.8919 -27.6057 -27.6057 -26.7620 -26.7620 -9.6358 -9.6358 -9.4877 -9.4877 -9.2214 -9.2214 -8.8682 -8.8682 -8.7927 -8.7927 -8.6013 -8.6013 -8.5370 -8.5370 -7.8273 -7.8273 -7.6016 -7.6016 -0.6582 -0.6582 0.8872 0.8872 9.4139 9.4139 9.4237 9.4237 9.6787 9.6787 9.6978 9.6978 10.2896 10.2896 11.6515 11.6515 12.1657 12.1657 14.2826 14.2826 14.2835 14.2835 17.3015 17.3021 k = 0.0000 0.0000 0.0250 ( 2307 PWs) bands (ev): -27.8914 -27.8914 -27.6062 -27.6062 -26.7619 -26.7619 -9.6345 -9.6345 -9.4878 -9.4878 -9.2215 -9.2215 -8.8681 -8.8681 -8.7933 -8.7933 -8.6008 -8.6008 -8.5383 -8.5383 -7.8278 -7.8278 -7.6019 -7.6019 -0.6535 -0.6535 0.8867 0.8867 9.3878 9.3878 9.3979 9.3979 9.7054 9.7054 9.7242 9.7242 10.2767 10.2767 11.6382 11.6382 12.1821 12.1821 14.2876 14.2876 14.2885 14.2885 17.2981 17.2984 k = 0.0000 0.0000 0.0375 ( 2306 PWs) bands (ev): -27.8907 -27.8907 -27.6072 -27.6072 -26.7617 -26.7617 -9.6324 -9.6324 -9.4879 -9.4879 -9.2218 -9.2218 -8.8680 -8.8680 -8.7941 -8.7941 -8.6000 -8.6000 -8.5405 -8.5405 -7.8286 -7.8286 -7.6026 -7.6026 -0.6457 -0.6457 0.8860 0.8860 9.3524 9.3524 9.3627 9.3627 9.7419 9.7419 9.7606 9.7606 10.2552 10.2552 11.6189 11.6189 12.2067 12.2067 14.2959 14.2959 14.2966 14.2966 17.2917 17.2918 k = 0.0000 0.0000 0.0500 ( 2300 PWs) bands (ev): -27.8896 -27.8896 -27.6084 -27.6084 -26.7615 -26.7615 -9.6292 -9.6292 -9.4880 -9.4880 -9.2221 -9.2221 -8.8680 -8.8680 -8.7954 -8.7954 -8.5989 -8.5989 -8.5435 -8.5435 -7.8297 -7.8297 -7.6034 -7.6034 -0.6348 -0.6348 0.8849 0.8849 9.3122 9.3122 9.3225 9.3225 9.7836 9.7836 9.8024 9.8024 10.2253 10.2253 11.5965 11.5965 12.2366 12.2366 14.3073 14.3073 14.3080 14.3080 17.2829 17.2831 k = 0.0000 0.0000 0.0625 ( 2306 PWs) bands (ev): -27.8883 -27.8883 -27.6101 -27.6101 -26.7612 -26.7612 -9.6255 -9.6255 -9.4882 -9.4882 -9.2225 -9.2225 -8.8680 -8.8680 -8.7971 -8.7971 -8.5974 -8.5974 -8.5473 -8.5473 -7.8310 -7.8310 -7.6046 -7.6046 -0.6210 -0.6210 0.8834 0.8834 9.2697 9.2697 9.2799 9.2799 9.8279 9.8279 9.8469 9.8469 10.1871 10.1871 11.5734 11.5734 12.2692 12.2692 14.3220 14.3220 14.3225 14.3225 17.2713 17.2724 k = 0.0000 0.0000 0.0750 ( 2306 PWs) bands (ev): -27.8867 -27.8867 -27.6121 -27.6121 -26.7608 -26.7608 -9.6208 -9.6208 -9.4884 -9.4884 -9.2230 -9.2230 -8.8682 -8.8682 -8.7990 -8.7990 -8.5958 -8.5958 -8.5517 -8.5517 -7.8327 -7.8327 -7.6059 -7.6059 -0.6042 -0.6042 0.8815 0.8815 9.2262 9.2262 9.2362 9.2362 9.8735 9.8735 9.8929 9.8929 10.1414 10.1414 11.5515 11.5515 12.3026 12.3026 14.3398 14.3398 14.3401 14.3401 17.2567 17.2573 k = 0.0000 0.0000 0.0875 ( 2306 PWs) bands (ev): -27.8848 -27.8848 -27.6145 -27.6145 -26.7604 -26.7604 -9.6153 -9.6153 -9.4886 -9.4886 -9.2236 -9.2236 -8.8685 -8.8685 -8.8013 -8.8013 -8.5938 -8.5938 -8.5568 -8.5568 -7.8346 -7.8346 -7.6075 -7.6075 -0.5845 -0.5845 0.8792 0.8792 9.1825 9.1825 9.1923 9.1923 9.9196 9.9196 9.9395 9.9395 10.0885 10.0885 11.5320 11.5320 12.3355 12.3355 14.3606 14.3606 14.3607 14.3607 17.2391 17.2392 k = 0.0000 0.0000 0.1000 ( 2306 PWs) bands (ev): -27.8826 -27.8826 -27.6171 -27.6171 -26.7599 -26.7599 -9.6090 -9.6090 -9.4887 -9.4887 -9.2242 -9.2242 -8.8692 -8.8692 -8.8039 -8.8039 -8.5915 -8.5915 -8.5624 -8.5624 -7.8368 -7.8368 -7.6093 -7.6093 -0.5621 -0.5621 0.8763 0.8763 9.1392 9.1392 9.1487 9.1487 9.9653 9.9653 9.9863 9.9863 10.0298 10.0298 11.5157 11.5157 12.3668 12.3668 14.3842 14.3842 14.3844 14.3844 17.2181 17.2185 k = 0.0000 0.0000 0.1125 ( 2318 PWs) bands (ev): -27.8802 -27.8802 -27.6202 -27.6202 -26.7594 -26.7594 -9.6021 -9.6021 -9.4889 -9.4889 -9.2250 -9.2250 -8.8703 -8.8703 -8.8067 -8.8067 -8.5891 -8.5891 -8.5684 -8.5684 -7.8392 -7.8392 -7.6112 -7.6112 -0.5370 -0.5370 0.8728 0.8728 9.0963 9.0963 9.1056 9.1056 9.9624 9.9624 10.0137 10.0137 10.0327 10.0327 11.5026 11.5026 12.3961 12.3961 14.4104 14.4104 14.4109 14.4109 17.1943 17.1947 k = 0.0000 0.0000 0.1250 ( 2318 PWs) bands (ev): -27.8774 -27.8774 -27.6235 -27.6235 -26.7588 -26.7588 -9.5943 -9.5943 -9.4889 -9.4889 -9.2257 -9.2257 -8.8721 -8.8721 -8.8096 -8.8096 -8.5864 -8.5864 -8.5746 -8.5746 -7.8418 -7.8418 -7.6134 -7.6134 -0.5093 -0.5093 0.8686 0.8686 9.0543 9.0543 9.0633 9.0633 9.8938 9.8938 10.0582 10.0582 10.0786 10.0786 11.4927 11.4927 12.4232 12.4232 14.4394 14.4394 14.4402 14.4402 17.1665 17.1666 k = 0.0000 0.0000 0.1375 ( 2318 PWs) bands (ev): -27.8744 -27.8744 -27.6271 -27.6271 -26.7582 -26.7582 -9.5860 -9.5860 -9.4887 -9.4887 -9.2265 -9.2265 -8.8747 -8.8747 -8.8126 -8.8126 -8.5835 -8.5835 -8.5810 -8.5810 -7.8446 -7.8446 -7.6157 -7.6157 -0.4793 -0.4793 0.8636 0.8636 9.0134 9.0134 9.0221 9.0221 9.8209 9.8209 10.1027 10.1027 10.1237 10.1237 11.4856 11.4856 12.4480 12.4480 14.4708 14.4708 14.4720 14.4720 17.1358 17.1360 k = 0.0000 0.0000 0.1500 ( 2330 PWs) bands (ev): -27.8712 -27.8712 -27.6310 -27.6310 -26.7576 -26.7576 -9.5772 -9.5772 -9.4884 -9.4884 -9.2274 -9.2274 -8.8785 -8.8785 -8.8154 -8.8154 -8.5874 -8.5874 -8.5804 -8.5804 -7.8476 -7.8476 -7.6182 -7.6182 -0.4470 -0.4470 0.8578 0.8578 8.9736 8.9736 8.9821 8.9821 9.7452 9.7452 10.1462 10.1462 10.1678 10.1678 11.4810 11.4810 12.4706 12.4706 14.5045 14.5045 14.5061 14.5061 17.1023 17.1076 k = 0.0000 0.0000 0.1625 ( 2330 PWs) bands (ev): -27.8677 -27.8677 -27.6352 -27.6352 -26.7570 -26.7570 -9.5679 -9.5679 -9.4876 -9.4876 -9.2282 -9.2282 -8.8836 -8.8836 -8.8179 -8.8179 -8.5936 -8.5936 -8.5773 -8.5773 -7.8507 -7.8507 -7.6207 -7.6207 -0.4125 -0.4125 0.8510 0.8510 8.9352 8.9352 8.9434 8.9434 9.6679 9.6679 10.1887 10.1887 10.2108 10.2108 11.4784 11.4784 12.4915 12.4915 14.5403 14.5403 14.5424 14.5424 17.0661 17.0664 k = 0.0000 0.0000 0.1751 ( 2324 PWs) bands (ev): -27.8640 -27.8640 -27.6396 -27.6396 -26.7563 -26.7563 -9.5583 -9.5583 -9.4862 -9.4862 -9.2291 -9.2291 -8.8902 -8.8902 -8.8199 -8.8199 -8.5995 -8.5995 -8.5739 -8.5739 -7.8539 -7.8539 -7.6234 -7.6234 -0.3761 -0.3761 0.8432 0.8432 8.8982 8.8982 8.9061 8.9061 9.5898 9.5898 10.2299 10.2299 10.2525 10.2525 11.4772 11.4772 12.5111 12.5111 14.5781 14.5781 14.5807 14.5807 17.0280 17.0281 k = 0.0000 0.0000 0.1876 ( 2324 PWs) bands (ev): -27.8600 -27.8600 -27.6443 -27.6443 -26.7556 -26.7556 -9.5489 -9.5489 -9.4839 -9.4839 -9.2300 -9.2300 -8.8985 -8.8985 -8.8215 -8.8215 -8.6052 -8.6052 -8.5706 -8.5706 -7.8571 -7.8571 -7.6261 -7.6261 -0.3380 -0.3380 0.8342 0.8342 8.8627 8.8627 8.8704 8.8704 9.5118 9.5118 10.2696 10.2696 10.2928 10.2928 11.4769 11.4769 12.5297 12.5297 14.6175 14.6175 14.6206 14.6206 16.9883 16.9886 k = 0.0000 0.0000 0.2001 ( 2324 PWs) bands (ev): -27.8559 -27.8559 -27.6492 -27.6492 -26.7549 -26.7549 -9.5402 -9.5402 -9.4803 -9.4803 -9.2308 -9.2308 -8.9083 -8.9083 -8.8226 -8.8226 -8.6104 -8.6104 -8.5671 -8.5671 -7.8604 -7.8604 -7.6289 -7.6289 -0.2982 -0.2982 0.8241 0.8241 8.8289 8.8289 8.8363 8.8363 9.4346 9.4346 10.3078 10.3078 10.3314 10.3314 11.4771 11.4771 12.5478 12.5478 14.6583 14.6583 14.6620 14.6620 16.9477 16.9482 k = 0.0000 0.0000 0.2126 ( 2324 PWs) bands (ev): -27.8515 -27.8515 -27.6543 -27.6543 -26.7542 -26.7542 -9.5325 -9.5325 -9.4748 -9.4748 -9.2317 -9.2317 -8.9197 -8.9197 -8.8233 -8.8233 -8.6151 -8.6151 -8.5637 -8.5637 -7.8637 -7.8637 -7.6316 -7.6316 -0.2570 -0.2570 0.8126 0.8126 8.7967 8.7967 8.8039 8.8039 9.3589 9.3589 10.3443 10.3443 10.3684 10.3684 11.4773 11.4773 12.5659 12.5659 14.7001 14.7001 14.7044 14.7044 16.9069 16.9077 k = 0.0000 0.0000 0.2251 ( 2330 PWs) bands (ev): -27.8470 -27.8470 -27.6595 -27.6595 -26.7535 -26.7535 -9.5265 -9.5265 -9.4671 -9.4671 -9.2326 -9.2326 -8.9327 -8.9327 -8.8238 -8.8238 -8.6193 -8.6193 -8.5603 -8.5603 -7.8670 -7.8670 -7.6344 -7.6344 -0.2147 -0.2147 0.7996 0.7996 8.7663 8.7663 8.7733 8.7733 9.2854 9.2854 10.3790 10.3790 10.4036 10.4036 11.4772 11.4772 12.5842 12.5842 14.7426 14.7426 14.7476 14.7476 16.8659 16.8796 k = 0.0000 0.0000 0.2376 ( 2324 PWs) bands (ev): -27.8422 -27.8422 -27.6650 -27.6650 -26.7528 -26.7528 -9.5221 -9.5221 -9.4571 -9.4571 -9.2334 -9.2334 -8.9468 -8.9468 -8.8239 -8.8239 -8.6229 -8.6229 -8.5569 -8.5569 -7.8702 -7.8702 -7.6372 -7.6372 -0.1713 -0.1713 0.7852 0.7852 8.7377 8.7377 8.7445 8.7445 9.2147 9.2147 10.4118 10.4118 10.4368 10.4368 11.4766 11.4766 12.6029 12.6029 14.7855 14.7855 14.7912 14.7912 16.8256 16.8282 k = 0.0000 0.0000 0.2501 ( 2324 PWs) bands (ev): -27.8374 -27.8374 -27.6705 -27.6705 -26.7522 -26.7522 -9.5192 -9.5192 -9.4449 -9.4449 -9.2342 -9.2342 -8.9622 -8.9622 -8.8240 -8.8240 -8.6260 -8.6260 -8.5537 -8.5537 -7.8733 -7.8733 -7.6398 -7.6398 -0.1272 -0.1272 0.7693 0.7693 8.7110 8.7110 8.7176 8.7176 9.1472 9.1472 10.4426 10.4426 10.4680 10.4680 11.4754 11.4754 12.6223 12.6223 14.8283 14.8283 14.8348 14.8348 16.7840 16.7850 k = 0.0000 0.0000 0.2626 ( 2330 PWs) bands (ev): -27.8324 -27.8324 -27.6761 -27.6761 -26.7516 -26.7516 -9.5173 -9.5173 -9.4311 -9.4311 -9.2351 -9.2351 -8.9787 -8.9787 -8.8240 -8.8240 -8.6287 -8.6287 -8.5505 -8.5505 -7.8763 -7.8763 -7.6424 -7.6424 -0.0826 -0.0826 0.7518 0.7518 8.6862 8.6862 8.6926 8.6926 9.0835 9.0835 10.4712 10.4712 10.4971 10.4971 11.4734 11.4734 12.6424 12.6424 14.8706 14.8706 14.8779 14.8779 16.6940 16.6940 k = 0.0000 0.0000 0.2751 ( 2330 PWs) bands (ev): -27.8273 -27.8273 -27.6818 -27.6818 -26.7510 -26.7510 -9.5161 -9.5161 -9.4160 -9.4160 -9.2358 -9.2358 -8.9960 -8.9960 -8.8239 -8.8239 -8.6309 -8.6309 -8.5475 -8.5475 -7.8792 -7.8792 -7.6449 -7.6449 -0.0377 -0.0377 0.7326 0.7326 8.6634 8.6634 8.6697 8.6697 9.0239 9.0239 10.4977 10.4977 10.5240 10.5240 11.4707 11.4707 12.6630 12.6630 14.9120 14.9120 14.9200 14.9200 16.5981 16.5981 k = 0.0000 0.0000 0.2876 ( 2318 PWs) bands (ev): -27.8222 -27.8222 -27.6875 -27.6875 -26.7505 -26.7505 -9.5153 -9.5153 -9.3999 -9.3999 -9.2364 -9.2364 -9.0140 -9.0140 -8.8237 -8.8237 -8.6326 -8.6326 -8.5446 -8.5446 -7.8818 -7.8818 -7.6471 -7.6471 0.0073 0.0073 0.7119 0.7119 8.6427 8.6427 8.6488 8.6488 8.9689 8.9689 10.5219 10.5219 10.5485 10.5485 11.4675 11.4675 12.6838 12.6838 14.9518 14.9518 14.9607 14.9607 16.5082 16.5082 k = 0.0000 0.0000 0.3001 ( 2318 PWs) bands (ev): -27.8170 -27.8170 -27.6932 -27.6932 -26.7500 -26.7500 -9.5149 -9.5149 -9.3831 -9.3831 -9.2371 -9.2371 -9.0326 -9.0326 -8.8235 -8.8235 -8.6341 -8.6341 -8.5420 -8.5420 -7.8843 -7.8843 -7.6493 -7.6493 0.0520 0.0520 0.6895 0.6895 8.6241 8.6241 8.6301 8.6301 8.9188 8.9188 10.5438 10.5438 10.5707 10.5707 11.4638 11.4638 12.7045 12.7045 14.9897 14.9897 14.9994 14.9994 16.4250 16.4250 k = 0.0000 0.0000 0.3126 ( 2324 PWs) bands (ev): -27.8119 -27.8119 -27.6988 -27.6988 -26.7495 -26.7495 -9.5147 -9.5147 -9.3659 -9.3659 -9.2376 -9.2376 -9.0516 -9.0516 -8.8234 -8.8234 -8.6353 -8.6353 -8.5397 -8.5397 -7.8865 -7.8865 -7.6512 -7.6512 0.0962 0.0962 0.6656 0.6656 8.6075 8.6075 8.6134 8.6134 8.8738 8.8738 10.5632 10.5632 10.5905 10.5905 11.4598 11.4598 12.7246 12.7246 15.0249 15.0249 15.0355 15.0355 16.3494 16.3494 k = 0.0000 0.0000 0.3251 ( 2324 PWs) bands (ev): -27.8069 -27.8069 -27.7042 -27.7042 -26.7491 -26.7491 -9.5145 -9.5145 -9.3484 -9.3484 -9.2381 -9.2381 -9.0706 -9.0706 -8.8233 -8.8233 -8.6361 -8.6361 -8.5375 -8.5375 -7.8885 -7.8885 -7.6530 -7.6530 0.1394 0.1394 0.6405 0.6405 8.5931 8.5931 8.5989 8.5989 8.8344 8.8344 10.5802 10.5802 10.6078 10.6078 11.4559 11.4559 12.7436 12.7436 15.0570 15.0570 15.0684 15.0684 16.2821 16.2821 k = 0.0000 0.0000 0.3376 ( 2336 PWs) bands (ev): -27.8021 -27.8021 -27.7094 -27.7094 -26.7488 -26.7488 -9.5145 -9.5145 -9.3308 -9.3308 -9.2386 -9.2386 -9.0897 -9.0897 -8.8232 -8.8232 -8.6369 -8.6369 -8.5357 -8.5357 -7.8903 -7.8903 -7.6545 -7.6545 0.1811 0.1811 0.6143 0.6143 8.5809 8.5809 8.5866 8.5866 8.8005 8.8005 10.5947 10.5947 10.6224 10.6224 11.4521 11.4521 12.7609 12.7609 15.0853 15.0853 15.0974 15.0974 16.2236 16.2236 k = 0.0000 0.0000 0.3501 ( 2324 PWs) bands (ev): -27.7977 -27.7977 -27.7141 -27.7141 -26.7485 -26.7485 -9.5145 -9.5145 -9.3135 -9.3135 -9.2389 -9.2389 -9.1080 -9.1080 -8.8231 -8.8231 -8.6373 -8.6373 -8.5341 -8.5341 -7.8916 -7.8916 -7.6556 -7.6556 0.2208 0.2208 0.5877 0.5877 8.5709 8.5709 8.5765 8.5765 8.7726 8.7726 10.6067 10.6067 10.6346 10.6346 11.4487 11.4487 12.7760 12.7760 15.1094 15.1094 15.1222 15.1222 16.1749 16.1749 k = 0.0000 0.0000 0.3626 ( 2336 PWs) bands (ev): -27.7938 -27.7938 -27.7182 -27.7182 -26.7483 -26.7483 -9.5146 -9.5146 -9.2973 -9.2973 -9.2393 -9.2393 -9.1252 -9.1252 -8.8231 -8.8231 -8.6378 -8.6378 -8.5330 -8.5330 -7.8928 -7.8928 -7.6566 -7.6566 0.2571 0.2571 0.5616 0.5616 8.5630 8.5630 8.5686 8.5686 8.7507 8.7507 10.6160 10.6160 10.6440 10.6440 11.4458 11.4458 12.7884 12.7884 15.1287 15.1287 15.1420 15.1420 16.1363 16.1363 k = 0.0000 0.0000 0.3751 ( 2336 PWs) bands (ev): -27.7908 -27.7908 -27.7214 -27.7214 -26.7481 -26.7481 -9.5146 -9.5146 -9.2832 -9.2832 -9.2395 -9.2395 -9.1400 -9.1400 -8.8231 -8.8231 -8.6381 -8.6381 -8.5321 -8.5321 -7.8936 -7.8936 -7.6574 -7.6574 0.2881 0.2881 0.5380 0.5380 8.5574 8.5574 8.5630 8.5630 8.7351 8.7351 10.6226 10.6226 10.6508 10.6508 11.4436 11.4436 12.7976 12.7976 15.1428 15.1428 15.1566 15.1566 16.1083 16.1083 k = 0.0000 0.0000 0.3876 ( 2348 PWs) bands (ev): -27.7888 -27.7888 -27.7236 -27.7236 -26.7481 -26.7481 -9.5146 -9.5146 -9.2731 -9.2731 -9.2396 -9.2396 -9.1506 -9.1506 -8.8231 -8.8231 -8.6383 -8.6383 -8.5317 -8.5317 -7.8942 -7.8942 -7.6579 -7.6579 0.3103 0.3103 0.5202 0.5202 8.5540 8.5540 8.5596 8.5596 8.7256 8.7256 10.6266 10.6266 10.6549 10.6549 11.4423 11.4423 12.8033 12.8033 15.1513 15.1513 15.1654 15.1654 16.0914 16.0914 k = 0.0000 0.0000 0.4001 ( 2348 PWs) bands (ev): -27.7881 -27.7881 -27.7243 -27.7243 -26.7480 -26.7480 -9.5146 -9.5146 -9.2692 -9.2692 -9.2397 -9.2397 -9.1546 -9.1546 -8.8231 -8.8231 -8.6383 -8.6383 -8.5315 -8.5315 -7.8943 -7.8943 -7.6580 -7.6580 0.3186 0.3186 0.5134 0.5134 8.5529 8.5529 8.5585 8.5585 8.7224 8.7224 10.6279 10.6279 10.6562 10.6562 11.4418 11.4418 12.8052 12.8052 15.1542 15.1542 15.1684 15.1684 16.0857 16.0857 k = 0.0000 0.0000 0.4001 ( 2348 PWs) bands (ev): -27.7881 -27.7881 -27.7243 -27.7243 -26.7480 -26.7480 -9.5146 -9.5146 -9.2692 -9.2692 -9.2397 -9.2397 -9.1546 -9.1546 -8.8231 -8.8231 -8.6383 -8.6383 -8.5315 -8.5315 -7.8943 -7.8943 -7.6580 -7.6580 0.3186 0.3186 0.5134 0.5134 8.5529 8.5529 8.5585 8.5585 8.7224 8.7224 10.6279 10.6279 10.6562 10.6562 11.4418 11.4418 12.8052 12.8052 15.1542 15.1542 15.1684 15.1684 16.0857 16.0857 k = 0.0106 0.0061 0.4001 ( 2344 PWs) bands (ev): -27.7878 -27.7878 -27.7243 -27.7243 -26.7483 -26.7483 -9.5156 -9.5156 -9.2777 -9.2777 -9.2316 -9.2316 -9.1539 -9.1539 -8.8235 -8.8235 -8.6386 -8.6386 -8.5315 -8.5315 -7.8935 -7.8935 -7.6575 -7.6575 0.3186 0.3186 0.5136 0.5136 8.5531 8.5531 8.5588 8.5588 8.7231 8.7231 10.6272 10.6272 10.6555 10.6555 11.4435 11.4435 12.8052 12.8052 15.1533 15.1533 15.1674 15.1674 16.0847 16.0847 k = 0.0213 0.0123 0.4001 ( 2340 PWs) bands (ev): -27.7871 -27.7871 -27.7242 -27.7242 -26.7491 -26.7491 -9.5186 -9.5186 -9.2931 -9.2931 -9.2176 -9.2176 -9.1513 -9.1513 -8.8249 -8.8249 -8.6397 -8.6397 -8.5313 -8.5313 -7.8912 -7.8912 -7.6561 -7.6561 0.3186 0.3186 0.5142 0.5142 8.5532 8.5532 8.5602 8.5602 8.7251 8.7251 10.6248 10.6248 10.6538 10.6538 11.4483 11.4483 12.8054 12.8054 15.1504 15.1504 15.1646 15.1646 16.0819 16.0819 k = 0.0319 0.0184 0.4001 ( 2340 PWs) bands (ev): -27.7858 -27.7858 -27.7241 -27.7241 -26.7505 -26.7505 -9.5235 -9.5235 -9.3095 -9.3095 -9.2047 -9.2047 -9.1463 -9.1463 -8.8272 -8.8272 -8.6414 -8.6414 -8.5310 -8.5310 -7.8874 -7.8874 -7.6538 -7.6538 0.3186 0.3186 0.5152 0.5152 8.5524 8.5524 8.5636 8.5636 8.7284 8.7284 10.6197 10.6197 10.6519 10.6519 11.4561 11.4561 12.8058 12.8058 15.1453 15.1453 15.1602 15.1602 16.0779 16.0779 k = 0.0426 0.0246 0.4001 ( 2344 PWs) bands (ev): -27.7841 -27.7841 -27.7239 -27.7239 -26.7523 -26.7523 -9.5306 -9.5306 -9.3255 -9.3255 -9.1948 -9.1948 -9.1377 -9.1377 -8.8306 -8.8306 -8.6436 -8.6436 -8.5305 -8.5305 -7.8823 -7.8823 -7.6508 -7.6508 0.3187 0.3187 0.5166 0.5166 8.5508 8.5508 8.5688 8.5688 8.7330 8.7330 10.6112 10.6112 10.6507 10.6507 11.4664 11.4664 12.8069 12.8069 15.1378 15.1378 15.1545 15.1545 16.0733 16.0733 k = 0.0532 0.0307 0.4001 ( 2342 PWs) bands (ev): -27.7818 -27.7818 -27.7237 -27.7237 -26.7548 -26.7548 -9.5397 -9.5397 -9.3406 -9.3406 -9.1887 -9.1887 -9.1255 -9.1255 -8.8353 -8.8353 -8.6462 -8.6462 -8.5295 -8.5295 -7.8758 -7.8758 -7.6468 -7.6468 0.3187 0.3187 0.5183 0.5183 8.5486 8.5486 8.5758 8.5758 8.7390 8.7390 10.5993 10.5993 10.6506 10.6506 11.4788 11.4788 12.8093 12.8093 15.1276 15.1276 15.1479 15.1479 16.0688 16.0688 k = 0.0638 0.0369 0.4001 ( 2350 PWs) bands (ev): -27.7791 -27.7791 -27.7234 -27.7234 -26.7577 -26.7577 -9.5509 -9.5509 -9.3547 -9.3547 -9.1854 -9.1854 -9.1109 -9.1109 -8.8412 -8.8412 -8.6490 -8.6490 -8.5280 -8.5280 -7.8683 -7.8683 -7.6421 -7.6421 0.3187 0.3187 0.5204 0.5204 8.5459 8.5459 8.5844 8.5844 8.7463 8.7463 10.5841 10.5841 10.6514 10.6514 11.4924 11.4924 12.8136 12.8136 15.1149 15.1149 15.1404 15.1404 16.0651 16.0651 k = 0.0745 0.0430 0.4001 ( 2354 PWs) bands (ev): -27.7759 -27.7759 -27.7231 -27.7231 -26.7612 -26.7612 -9.5641 -9.5641 -9.3676 -9.3676 -9.1839 -9.1839 -9.0950 -9.0950 -8.8485 -8.8485 -8.6519 -8.6519 -8.5258 -8.5258 -7.8596 -7.8596 -7.6367 -7.6367 0.3188 0.3188 0.5229 0.5229 8.5428 8.5428 8.5945 8.5945 8.7551 8.7551 10.5661 10.5661 10.6528 10.6528 11.5066 11.5066 12.8206 12.8206 15.0998 15.0998 15.1321 15.1321 16.0624 16.0624 k = 0.0851 0.0491 0.4001 ( 2354 PWs) bands (ev): -27.7722 -27.7722 -27.7228 -27.7228 -26.7652 -26.7652 -9.5791 -9.5791 -9.3795 -9.3795 -9.1834 -9.1834 -9.0787 -9.0787 -8.8573 -8.8573 -8.6547 -8.6547 -8.5226 -8.5226 -7.8501 -7.8501 -7.6307 -7.6307 0.3188 0.3188 0.5257 0.5257 8.5395 8.5395 8.6061 8.6061 8.7653 8.7653 10.5457 10.5457 10.6548 10.6548 11.5203 11.5203 12.8311 12.8311 15.0827 15.0827 15.1230 15.1230 16.0611 16.0611 k = 0.0957 0.0553 0.4001 ( 2354 PWs) bands (ev): -27.7680 -27.7680 -27.7224 -27.7224 -26.7698 -26.7698 -9.5956 -9.5956 -9.3904 -9.3904 -9.1836 -9.1836 -9.0627 -9.0627 -8.8674 -8.8674 -8.6573 -8.6573 -8.5184 -8.5184 -7.8399 -7.8399 -7.6242 -7.6242 0.3189 0.3189 0.5289 0.5289 8.5360 8.5360 8.6193 8.6193 8.7768 8.7768 10.5234 10.5234 10.6572 10.6572 11.5327 11.5327 12.8459 12.8459 15.0638 15.0638 15.1133 15.1133 16.0610 16.0610 k = 0.1064 0.0614 0.4001 ( 2358 PWs) bands (ev): -27.7634 -27.7634 -27.7220 -27.7220 -26.7748 -26.7748 -9.6135 -9.6135 -9.4005 -9.4005 -9.1842 -9.1842 -9.0474 -9.0474 -8.8786 -8.8786 -8.6597 -8.6597 -8.5132 -8.5132 -7.8290 -7.8290 -7.6172 -7.6172 0.3191 0.3191 0.5323 0.5323 8.5325 8.5325 8.6338 8.6338 8.7898 8.7898 10.4993 10.4993 10.6598 10.6598 11.5427 11.5427 12.8660 12.8660 15.0435 15.0435 15.1028 15.1028 16.0620 16.0620 k = 0.1170 0.0676 0.4001 ( 2362 PWs) bands (ev): -27.7583 -27.7583 -27.7215 -27.7215 -26.7803 -26.7803 -9.6324 -9.6324 -9.4100 -9.4100 -9.1851 -9.1851 -9.0331 -9.0331 -8.8906 -8.8906 -8.6618 -8.6618 -8.5067 -8.5067 -7.8177 -7.8177 -7.6099 -7.6099 0.3192 0.3192 0.5361 0.5361 8.5290 8.5290 8.6498 8.6498 8.8041 8.8041 10.4740 10.4740 10.6627 10.6627 11.5496 11.5496 12.8920 12.8920 15.0220 15.0220 15.0919 15.0919 16.0638 16.0638 k = 0.1277 0.0737 0.4001 ( 2356 PWs) bands (ev): -27.7527 -27.7527 -27.7210 -27.7210 -26.7863 -26.7863 -9.6522 -9.6522 -9.4190 -9.4190 -9.1862 -9.1862 -9.0206 -9.0206 -8.9025 -8.9025 -8.6636 -8.6636 -8.4990 -8.4990 -7.8060 -7.8060 -7.6023 -7.6023 0.3194 0.3194 0.5401 0.5401 8.5257 8.5257 8.6672 8.6672 8.8197 8.8197 10.4477 10.4477 10.6658 10.6658 11.5526 11.5526 12.9245 12.9245 14.9997 14.9997 15.0806 15.0806 16.0662 16.0662 k = 0.1383 0.0798 0.4001 ( 2356 PWs) bands (ev): -27.7467 -27.7467 -27.7204 -27.7204 -26.7928 -26.7928 -9.6725 -9.6725 -9.4277 -9.4277 -9.1874 -9.1874 -9.0111 -9.0111 -8.9133 -8.9133 -8.6652 -8.6652 -8.4902 -8.4902 -7.7940 -7.7940 -7.5946 -7.5946 0.3196 0.3196 0.5444 0.5444 8.5225 8.5225 8.6859 8.6859 8.8367 8.8367 10.4207 10.4207 10.6690 10.6690 11.5512 11.5512 12.9638 12.9638 14.9769 14.9769 15.0689 15.0689 16.0688 16.0688 k = 0.1489 0.0860 0.4001 ( 2356 PWs) bands (ev): -27.7403 -27.7403 -27.7198 -27.7198 -26.7998 -26.7998 -9.6933 -9.6933 -9.4363 -9.4363 -9.1888 -9.1888 -9.0062 -9.0062 -8.9209 -8.9209 -8.6667 -8.6667 -8.4801 -8.4801 -7.7817 -7.7817 -7.5867 -7.5867 0.3198 0.3198 0.5490 0.5490 8.5195 8.5195 8.7058 8.7058 8.8549 8.8549 10.3935 10.3935 10.6723 10.6723 11.5452 11.5452 13.0098 13.0098 14.9540 14.9540 15.0571 15.0571 16.0711 16.0711 k = 0.1596 0.0921 0.4001 ( 2356 PWs) bands (ev): -27.7336 -27.7336 -27.7191 -27.7191 -26.8072 -26.8072 -9.7144 -9.7144 -9.4448 -9.4448 -9.1903 -9.1903 -9.0081 -9.0081 -8.9231 -8.9231 -8.6681 -8.6681 -8.4688 -8.4688 -7.7694 -7.7694 -7.5789 -7.5789 0.3201 0.3201 0.5538 0.5538 8.5167 8.5167 8.7270 8.7270 8.8744 8.8744 10.3663 10.3663 10.6756 10.6756 11.5346 11.5346 13.0625 13.0625 14.9313 14.9313 15.0451 15.0451 16.0729 16.0729 k = 0.1702 0.0983 0.4001 ( 2352 PWs) bands (ev): -27.7266 -27.7266 -27.7181 -27.7181 -26.8150 -26.8150 -9.7355 -9.7355 -9.4533 -9.4533 -9.1918 -9.1918 -9.0167 -9.0167 -8.9197 -8.9197 -8.6693 -8.6693 -8.4566 -8.4566 -7.7570 -7.7570 -7.5711 -7.5711 0.3204 0.3204 0.5588 0.5588 8.5142 8.5142 8.7492 8.7492 8.8950 8.8950 10.3395 10.3395 10.6789 10.6789 11.5193 11.5193 13.1211 13.1211 14.9092 14.9092 15.0332 15.0332 16.0739 16.0739 k = 0.1809 0.1044 0.4001 ( 2354 PWs) bands (ev): -27.7207 -27.7207 -27.7156 -27.7156 -26.8233 -26.8233 -9.7567 -9.7567 -9.4619 -9.4619 -9.1935 -9.1935 -9.0301 -9.0301 -8.9125 -8.9125 -8.6705 -8.6705 -8.4434 -8.4434 -7.7447 -7.7447 -7.5634 -7.5634 0.3207 0.3207 0.5639 0.5639 8.5119 8.5119 8.7726 8.7726 8.9169 8.9169 10.3133 10.3133 10.6822 10.6822 11.4999 11.4999 13.1851 13.1851 14.8880 14.8880 15.0214 15.0214 16.0738 16.0738 k = 0.1915 0.1106 0.4001 ( 2350 PWs) bands (ev): -27.7184 -27.7184 -27.7091 -27.7091 -26.8320 -26.8320 -9.7778 -9.7778 -9.4706 -9.4706 -9.1952 -9.1952 -9.0463 -9.0463 -8.9032 -8.9032 -8.6715 -8.6715 -8.4293 -8.4293 -7.7325 -7.7325 -7.5559 -7.5559 0.3210 0.3210 0.5693 0.5693 8.5098 8.5098 8.7969 8.7969 8.9398 8.9398 10.2881 10.2881 10.6853 10.6853 11.4766 11.4766 13.2533 13.2533 14.8682 14.8682 15.0098 15.0098 16.0726 16.0726 k = 0.2021 0.1167 0.4001 ( 2350 PWs) bands (ev): -27.7174 -27.7174 -27.7010 -27.7010 -26.8411 -26.8411 -9.7988 -9.7988 -9.4793 -9.4793 -9.1970 -9.1970 -9.0640 -9.0640 -8.8931 -8.8931 -8.6724 -8.6724 -8.4145 -8.4145 -7.7204 -7.7204 -7.5488 -7.5488 0.3214 0.3214 0.5748 0.5748 8.5079 8.5079 8.8222 8.8222 8.9638 8.9638 10.2641 10.2641 10.6883 10.6883 11.4500 11.4500 13.3246 13.3246 14.8504 14.8504 14.9984 14.9984 16.0703 16.0703 k = 0.2128 0.1228 0.4001 ( 2350 PWs) bands (ev): -27.7166 -27.7166 -27.6922 -27.6922 -26.8506 -26.8506 -9.8194 -9.8194 -9.4882 -9.4882 -9.1988 -9.1988 -9.0825 -9.0825 -8.8827 -8.8827 -8.6731 -8.6731 -8.3991 -8.3991 -7.7086 -7.7086 -7.5419 -7.5419 0.3218 0.3218 0.5804 0.5804 8.5061 8.5061 8.8484 8.8484 8.9887 8.9887 10.2415 10.2415 10.6911 10.6911 11.4204 11.4204 13.3977 13.3977 14.8352 14.8352 14.9874 14.9874 16.0669 16.0669 k = 0.2234 0.1290 0.4001 ( 2352 PWs) bands (ev): -27.7159 -27.7159 -27.6831 -27.6831 -26.8605 -26.8605 -9.8399 -9.8399 -9.4972 -9.4972 -9.2008 -9.2008 -9.1012 -9.1012 -8.8723 -8.8723 -8.6736 -8.6736 -8.3833 -8.3833 -7.6970 -7.6970 -7.5353 -7.5353 0.3222 0.3222 0.5862 0.5862 8.5043 8.5043 8.8753 8.8753 9.0146 9.0146 10.2206 10.2206 10.6937 10.6937 11.3884 11.3884 13.4711 13.4711 14.8235 14.8235 14.9768 14.9768 16.0627 16.0627 k = 0.2340 0.1351 0.4001 ( 2352 PWs) bands (ev): -27.7151 -27.7151 -27.6735 -27.6735 -26.8706 -26.8706 -9.8599 -9.8599 -9.5063 -9.5063 -9.2029 -9.2029 -9.1200 -9.1200 -8.8622 -8.8622 -8.6738 -8.6738 -8.3671 -8.3671 -7.6858 -7.6858 -7.5291 -7.5291 0.3226 0.3226 0.5920 0.5920 8.5025 8.5025 8.9029 8.9029 9.0414 9.0414 10.2015 10.2015 10.6960 10.6960 11.3544 11.3544 13.5429 13.5429 14.8162 14.8162 14.9666 14.9666 16.0582 16.0582 k = 0.2447 0.1413 0.4001 ( 2352 PWs) bands (ev): -27.7144 -27.7144 -27.6637 -27.6637 -26.8811 -26.8811 -9.8794 -9.8794 -9.5154 -9.5154 -9.2052 -9.2052 -9.1384 -9.1384 -8.8524 -8.8524 -8.6736 -8.6736 -8.3506 -8.3506 -7.6749 -7.6749 -7.5233 -7.5233 0.3230 0.3230 0.5979 0.5979 8.5007 8.5007 8.9310 8.9310 9.0690 9.0690 10.1843 10.1843 10.6980 10.6980 11.3188 11.3188 13.6112 13.6112 14.8146 14.8146 14.9568 14.9568 16.0537 16.0537 k = 0.2553 0.1474 0.4001 ( 2350 PWs) bands (ev): -27.7137 -27.7137 -27.6535 -27.6535 -26.8919 -26.8919 -9.8985 -9.8985 -9.5246 -9.5246 -9.2078 -9.2078 -9.1562 -9.1562 -8.8431 -8.8431 -8.6730 -8.6730 -8.3340 -8.3340 -7.6645 -7.6645 -7.5179 -7.5179 0.3234 0.3234 0.6038 0.6038 8.4988 8.4988 8.9597 8.9597 9.0972 9.0972 10.1693 10.1693 10.6997 10.6997 11.2820 11.2820 13.6741 13.6741 14.8200 14.8200 14.9475 14.9475 16.0499 16.0499 k = 0.2660 0.1536 0.4001 ( 2352 PWs) bands (ev): -27.7130 -27.7130 -27.6431 -27.6431 -26.9030 -26.9030 -9.9172 -9.9172 -9.5337 -9.5337 -9.2112 -9.2112 -9.1730 -9.1730 -8.8344 -8.8344 -8.6720 -8.6720 -8.3173 -8.3173 -7.6546 -7.6546 -7.5128 -7.5128 0.3239 0.3239 0.6097 0.6097 8.4967 8.4967 8.9887 8.9887 9.1260 9.1260 10.1565 10.1565 10.7010 10.7010 11.2444 11.2444 13.7293 13.7293 14.8337 14.8337 14.9387 14.9387 16.0473 16.0473 k = 0.2766 0.1597 0.4001 ( 2356 PWs) bands (ev): -27.7123 -27.7123 -27.6324 -27.6324 -26.9143 -26.9143 -9.9353 -9.9353 -9.5429 -9.5429 -9.2162 -9.2162 -9.1876 -9.1876 -8.8263 -8.8263 -8.6704 -8.6704 -8.3007 -8.3007 -7.6453 -7.6453 -7.5081 -7.5081 0.3243 0.3243 0.6156 0.6156 8.4945 8.4945 9.0179 9.0179 9.1553 9.1553 10.1459 10.1459 10.7020 10.7020 11.2062 11.2062 13.7752 13.7752 14.8567 14.8567 14.9303 14.9303 16.0465 16.0465 k = 0.2872 0.1658 0.4001 ( 2352 PWs) bands (ev): -27.7116 -27.7116 -27.6215 -27.6215 -26.9258 -26.9258 -9.9527 -9.9527 -9.5520 -9.5520 -9.2246 -9.2246 -9.1982 -9.1982 -8.8190 -8.8190 -8.6682 -8.6682 -8.2841 -8.2841 -7.6365 -7.6365 -7.5037 -7.5037 0.3247 0.3247 0.6215 0.6215 8.4921 8.4921 9.0473 9.0473 9.1850 9.1850 10.1375 10.1375 10.7026 10.7026 11.1677 11.1677 13.8105 13.8105 14.8897 14.8897 14.9224 14.9224 16.0483 16.0483 k = 0.2979 0.1720 0.4001 ( 2352 PWs) bands (ev): -27.7109 -27.7109 -27.6104 -27.6104 -26.9375 -26.9375 -9.9696 -9.9696 -9.5609 -9.5609 -9.2367 -9.2367 -9.2046 -9.2046 -8.8124 -8.8124 -8.6653 -8.6653 -8.2678 -8.2678 -7.6284 -7.6284 -7.4996 -7.4996 0.3252 0.3252 0.6273 0.6273 8.4894 8.4894 9.0767 9.0767 9.2148 9.2148 10.1313 10.1313 10.7028 10.7028 11.1292 11.1292 13.8348 13.8348 14.9149 14.9149 14.9322 14.9322 16.0532 16.0532 k = 0.3085 0.1781 0.4001 ( 2348 PWs) bands (ev): -27.7102 -27.7102 -27.5991 -27.5991 -26.9493 -26.9493 -9.9858 -9.9858 -9.5698 -9.5698 -9.2505 -9.2505 -9.2085 -9.2085 -8.8066 -8.8066 -8.6619 -8.6619 -8.2517 -8.2517 -7.6210 -7.6210 -7.4956 -7.4956 0.3256 0.3256 0.6331 0.6331 8.4865 8.4865 9.1059 9.1059 9.2447 9.2447 10.1272 10.1272 10.7027 10.7027 11.0910 11.0910 13.8485 13.8485 14.9080 14.9080 14.9828 14.9828 16.0620 16.0620 k = 0.3191 0.1843 0.4001 ( 2348 PWs) bands (ev): -27.7096 -27.7096 -27.5877 -27.5877 -26.9613 -26.9613 -10.0013 -10.0013 -9.5784 -9.5784 -9.2646 -9.2646 -9.2113 -9.2113 -8.8016 -8.8016 -8.6579 -8.6579 -8.2360 -8.2360 -7.6144 -7.6144 -7.4919 -7.4919 0.3260 0.3260 0.6387 0.6387 8.4834 8.4834 9.1349 9.1349 9.2745 9.2745 10.1252 10.1252 10.7021 10.7021 11.0532 11.0532 13.8528 13.8528 14.9013 14.9013 15.0399 15.0399 16.0752 16.0752 k = 0.3298 0.1904 0.4001 ( 2344 PWs) bands (ev): -27.7089 -27.7089 -27.5763 -27.5763 -26.9733 -26.9733 -10.0161 -10.0161 -9.5868 -9.5868 -9.2784 -9.2784 -9.2137 -9.2137 -8.7974 -8.7974 -8.6533 -8.6533 -8.2206 -8.2206 -7.6086 -7.6086 -7.4884 -7.4884 0.3265 0.3265 0.6441 0.6441 8.4802 8.4802 9.1634 9.1634 9.3041 9.3041 10.1252 10.1252 10.7012 10.7012 11.0161 11.0161 13.8492 13.8492 14.8951 14.8951 15.1011 15.1011 16.0934 16.0934 k = 0.3404 0.1965 0.4001 ( 2348 PWs) bands (ev): -27.7083 -27.7083 -27.5648 -27.5648 -26.9853 -26.9853 -10.0301 -10.0301 -9.5950 -9.5950 -9.2917 -9.2917 -9.2158 -9.2158 -8.7939 -8.7939 -8.6482 -8.6482 -8.2057 -8.2057 -7.6036 -7.6036 -7.4850 -7.4850 0.3269 0.3269 0.6494 0.6494 8.4769 8.4769 9.1914 9.1914 9.3331 9.3331 10.1269 10.1269 10.7000 10.7000 10.9798 10.9798 13.8391 13.8391 14.8892 14.8892 15.1641 15.1641 16.1170 16.1170 k = 0.3511 0.2027 0.4001 ( 2356 PWs) bands (ev): -27.7077 -27.7077 -27.5533 -27.5533 -26.9973 -26.9973 -10.0434 -10.0434 -9.6029 -9.6029 -9.3043 -9.3043 -9.2177 -9.2177 -8.7911 -8.7911 -8.6429 -8.6429 -8.1914 -8.1914 -7.5995 -7.5995 -7.4817 -7.4817 0.3273 0.3273 0.6545 0.6545 8.4735 8.4735 9.2187 9.2187 9.3615 9.3615 10.1302 10.1302 10.6984 10.6984 10.9446 10.9446 13.8241 13.8241 14.8836 14.8836 15.2265 15.2265 16.1463 16.1463 k = 0.3617 0.2088 0.4001 ( 2356 PWs) bands (ev): -27.7072 -27.7072 -27.5419 -27.5419 -27.0092 -27.0092 -10.0559 -10.0559 -9.6104 -9.6104 -9.3161 -9.3161 -9.2195 -9.2195 -8.7889 -8.7889 -8.6372 -8.6372 -8.1776 -8.1776 -7.5962 -7.5962 -7.4784 -7.4784 0.3276 0.3276 0.6594 0.6594 8.4700 8.4700 9.2451 9.2451 9.3890 9.3890 10.1349 10.1349 10.6966 10.6966 10.9105 10.9105 13.8058 13.8058 14.8784 14.8784 15.2867 15.2867 16.1813 16.1813 k = 0.3723 0.2150 0.4001 ( 2356 PWs) bands (ev): -27.7067 -27.7067 -27.5306 -27.5306 -27.0210 -27.0210 -10.0676 -10.0676 -9.6176 -9.6176 -9.3271 -9.3271 -9.2211 -9.2211 -8.7871 -8.7871 -8.6315 -8.6315 -8.1645 -8.1645 -7.5936 -7.5936 -7.4752 -7.4752 0.3280 0.3280 0.6640 0.6640 8.4666 8.4666 9.2705 9.2705 9.4155 9.4155 10.1409 10.1409 10.6945 10.6945 10.8779 10.8779 13.7852 13.7852 14.8735 14.8735 15.3431 15.3431 16.2219 16.2219 k = 0.3830 0.2211 0.4001 ( 2358 PWs) bands (ev): -27.7062 -27.7062 -27.5196 -27.5196 -27.0325 -27.0325 -10.0784 -10.0784 -9.6243 -9.6243 -9.3372 -9.3372 -9.2226 -9.2226 -8.7858 -8.7858 -8.6257 -8.6257 -8.1521 -8.1521 -7.5917 -7.5917 -7.4721 -7.4721 0.3284 0.3284 0.6683 0.6683 8.4633 8.4633 9.2946 9.2946 9.4407 9.4407 10.1480 10.1480 10.6923 10.6923 10.8467 10.8467 13.7633 13.7633 14.8688 14.8688 15.3947 15.3947 16.2676 16.2676 k = 0.3936 0.2273 0.4001 ( 2358 PWs) bands (ev): -27.7057 -27.7057 -27.5088 -27.5088 -27.0436 -27.0436 -10.0883 -10.0883 -9.6305 -9.6305 -9.3465 -9.3465 -9.2240 -9.2240 -8.7848 -8.7848 -8.6201 -8.6201 -8.1405 -8.1405 -7.5905 -7.5905 -7.4690 -7.4690 0.3287 0.3287 0.6724 0.6724 8.4602 8.4602 9.3174 9.3174 9.4645 9.4645 10.1558 10.1558 10.6899 10.6899 10.8172 10.8172 13.7411 13.7411 14.8646 14.8646 15.4411 15.4411 16.3174 16.3174 k = 0.4043 0.2334 0.4001 ( 2354 PWs) bands (ev): -27.7053 -27.7053 -27.4985 -27.4985 -27.0543 -27.0543 -10.0973 -10.0973 -9.6363 -9.6363 -9.3550 -9.3550 -9.2253 -9.2253 -8.7841 -8.7841 -8.6147 -8.6147 -8.1297 -8.1297 -7.5898 -7.5898 -7.4661 -7.4661 0.3290 0.3290 0.6761 0.6761 8.4572 8.4572 9.3386 9.3386 9.4866 9.4866 10.1642 10.1642 10.6874 10.6874 10.7897 10.7897 13.7191 13.7191 14.8607 14.8607 15.4820 15.4820 16.3705 16.3705 k = 0.4149 0.2395 0.4001 ( 2354 PWs) bands (ev): -27.7049 -27.7049 -27.4886 -27.4886 -27.0645 -27.0645 -10.1055 -10.1055 -9.6415 -9.6415 -9.3625 -9.3625 -9.2264 -9.2264 -8.7835 -8.7835 -8.6096 -8.6096 -8.1198 -8.1198 -7.5895 -7.5895 -7.4634 -7.4634 0.3293 0.3293 0.6795 0.6795 8.4544 8.4544 9.3582 9.3582 9.5069 9.5069 10.1729 10.1729 10.6850 10.6850 10.7641 10.7641 13.6980 13.6980 14.8571 14.8571 15.5177 15.5177 16.4257 16.4257 k = 0.4255 0.2457 0.4001 ( 2350 PWs) bands (ev): -27.7046 -27.7046 -27.4794 -27.4794 -27.0740 -27.0740 -10.1127 -10.1127 -9.6462 -9.6462 -9.3692 -9.3692 -9.2275 -9.2275 -8.7832 -8.7832 -8.6049 -8.6049 -8.1108 -8.1108 -7.5896 -7.5896 -7.4609 -7.4609 0.3295 0.3295 0.6825 0.6825 8.4519 8.4519 9.3758 9.3758 9.5252 9.5252 10.1816 10.1816 10.6826 10.6826 10.7408 10.7408 13.6783 13.6783 14.8540 14.8540 15.5483 15.5483 16.4819 16.4819 k = 0.4362 0.2518 0.4001 ( 2350 PWs) bands (ev): -27.7043 -27.7043 -27.4710 -27.4710 -27.0827 -27.0827 -10.1190 -10.1190 -9.6503 -9.6503 -9.3749 -9.3749 -9.2284 -9.2284 -8.7829 -8.7829 -8.6007 -8.6007 -8.1030 -8.1030 -7.5899 -7.5899 -7.4586 -7.4586 0.3297 0.3297 0.6852 0.6852 8.4497 8.4497 9.3915 9.3915 9.5414 9.5414 10.1900 10.1900 10.6803 10.6803 10.7199 10.7199 13.6604 13.6604 14.8511 14.8511 15.5741 15.5741 16.5380 16.5380 k = 0.4468 0.2580 0.4001 ( 2354 PWs) bands (ev): -27.7040 -27.7040 -27.4634 -27.4634 -27.0905 -27.0905 -10.1244 -10.1244 -9.6539 -9.6539 -9.3798 -9.3798 -9.2291 -9.2291 -8.7827 -8.7827 -8.5970 -8.5970 -8.0963 -8.0963 -7.5904 -7.5904 -7.4566 -7.4566 0.3299 0.3299 0.6875 0.6875 8.4477 8.4477 9.4050 9.4050 9.5553 9.5553 10.1979 10.1979 10.6783 10.6783 10.7017 10.7017 13.6447 13.6447 14.8485 14.8485 15.5955 15.5955 16.5928 16.5928 k = 0.4574 0.2641 0.4001 ( 2354 PWs) bands (ev): -27.7038 -27.7038 -27.4570 -27.4570 -27.0971 -27.0971 -10.1288 -10.1288 -9.6568 -9.6568 -9.3838 -9.3838 -9.2298 -9.2298 -8.7827 -8.7827 -8.5940 -8.5940 -8.0907 -8.0907 -7.5909 -7.5909 -7.4550 -7.4550 0.3301 0.3301 0.6894 0.6894 8.4461 8.4461 9.4163 9.4163 9.5668 9.5668 10.2050 10.2050 10.6763 10.6763 10.6865 10.6865 13.6315 13.6315 14.8465 14.8465 15.6127 15.6127 16.6452 16.6452 k = 0.4681 0.2702 0.4001 ( 2354 PWs) bands (ev): -27.7037 -27.7037 -27.4518 -27.4518 -27.1024 -27.1024 -10.1322 -10.1322 -9.6591 -9.6591 -9.3870 -9.3870 -9.2303 -9.2303 -8.7826 -8.7826 -8.5915 -8.5915 -8.0862 -8.0862 -7.5914 -7.5914 -7.4537 -7.4537 0.3302 0.3302 0.6909 0.6909 8.4448 8.4448 9.4251 9.4251 9.5759 9.5759 10.2108 10.2108 10.6726 10.6726 10.6765 10.6765 13.6210 13.6210 14.8448 14.8448 15.6259 15.6259 16.6933 16.6933 k = 0.4787 0.2764 0.4001 ( 2362 PWs) bands (ev): -27.7036 -27.7036 -27.4480 -27.4480 -27.1064 -27.1064 -10.1347 -10.1347 -9.6607 -9.6607 -9.3892 -9.3892 -9.2307 -9.2307 -8.7826 -8.7826 -8.5898 -8.5898 -8.0831 -8.0831 -7.5918 -7.5918 -7.4528 -7.4528 0.3303 0.3303 0.6919 0.6919 8.4439 8.4439 9.4315 9.4315 9.5824 9.5824 10.2153 10.2153 10.6645 10.6645 10.6745 10.6745 13.6133 13.6133 14.8436 14.8436 15.6352 15.6352 16.7342 16.7342 k = 0.4894 0.2825 0.4001 ( 2364 PWs) bands (ev): -27.7035 -27.7035 -27.4456 -27.4456 -27.1088 -27.1088 -10.1362 -10.1362 -9.6617 -9.6617 -9.3905 -9.3905 -9.2309 -9.2309 -8.7826 -8.7826 -8.5888 -8.5888 -8.0811 -8.0811 -7.5921 -7.5921 -7.4522 -7.4522 0.3303 0.3303 0.6925 0.6925 8.4434 8.4434 9.4354 9.4354 9.5863 9.5863 10.2180 10.2180 10.6592 10.6592 10.6737 10.6737 13.6087 13.6087 14.8429 14.8429 15.6408 15.6408 16.7630 16.7630 k = 0.5000 0.2887 0.4001 ( 2368 PWs) bands (ev): -27.7035 -27.7035 -27.4448 -27.4448 -27.1096 -27.1096 -10.1367 -10.1367 -9.6621 -9.6621 -9.3910 -9.3910 -9.2310 -9.2310 -8.7826 -8.7826 -8.5884 -8.5884 -8.0805 -8.0805 -7.5922 -7.5922 -7.4521 -7.4521 0.3304 0.3304 0.6928 0.6928 8.4432 8.4432 9.4367 9.4367 9.5876 9.5876 10.2189 10.2189 10.6573 10.6573 10.6735 10.6735 13.6071 13.6071 14.8426 14.8426 15.6426 15.6426 16.7736 16.7736 k = 0.5000 0.2887 0.4001 ( 2368 PWs) bands (ev): -27.7035 -27.7035 -27.4448 -27.4448 -27.1096 -27.1096 -10.1367 -10.1367 -9.6621 -9.6621 -9.3910 -9.3910 -9.2310 -9.2310 -8.7826 -8.7826 -8.5884 -8.5884 -8.0805 -8.0805 -7.5922 -7.5922 -7.4521 -7.4521 0.3304 0.3304 0.6928 0.6928 8.4432 8.4432 9.4367 9.4367 9.5876 9.5876 10.2189 10.2189 10.6573 10.6573 10.6735 10.6735 13.6071 13.6071 14.8426 14.8426 15.6426 15.6426 16.7736 16.7736 k = 0.4938 0.2994 0.4001 ( 2360 PWs) bands (ev): -27.7034 -27.7034 -27.4446 -27.4446 -27.1099 -27.1099 -10.1363 -10.1363 -9.6633 -9.6633 -9.3940 -9.3940 -9.2276 -9.2276 -8.7819 -8.7819 -8.5882 -8.5882 -8.0803 -8.0803 -7.5929 -7.5929 -7.4518 -7.4518 0.3307 0.3307 0.6925 0.6925 8.4441 8.4441 9.4361 9.4361 9.5873 9.5873 10.2194 10.2194 10.6574 10.6574 10.6738 10.6738 13.6031 13.6031 14.8469 14.8469 15.6432 15.6432 16.7744 16.7744 k = 0.4877 0.3101 0.4001 ( 2360 PWs) bands (ev): -27.7034 -27.7034 -27.4439 -27.4439 -27.1106 -27.1106 -10.1352 -10.1352 -9.6672 -9.6672 -9.4024 -9.4024 -9.2180 -9.2180 -8.7800 -8.7800 -8.5877 -8.5877 -8.0800 -8.0800 -7.5948 -7.5948 -7.4514 -7.4514 0.3318 0.3318 0.6916 0.6916 8.4470 8.4470 9.4344 9.4344 9.5864 9.5864 10.2207 10.2207 10.6574 10.6574 10.6748 10.6748 13.5911 13.5911 14.8594 14.8594 15.6447 15.6447 16.7766 16.7766 k = 0.4815 0.3208 0.4001 ( 2364 PWs) bands (ev): -27.7033 -27.7033 -27.4427 -27.4427 -27.1119 -27.1119 -10.1333 -10.1333 -9.6736 -9.6736 -9.4146 -9.4146 -9.2039 -9.2039 -8.7769 -8.7769 -8.5869 -8.5869 -8.0793 -8.0793 -7.5979 -7.5979 -7.4508 -7.4508 0.3337 0.3337 0.6902 0.6902 8.4518 8.4518 9.4316 9.4316 9.5850 9.5850 10.2228 10.2228 10.6574 10.6574 10.6764 10.6764 13.5718 13.5718 14.8795 14.8795 15.6473 15.6473 16.7802 16.7802 k = 0.4753 0.3314 0.4001 ( 2352 PWs) bands (ev): -27.7031 -27.7031 -27.4410 -27.4410 -27.1137 -27.1137 -10.1307 -10.1307 -9.6821 -9.6821 -9.4295 -9.4295 -9.1867 -9.1867 -8.7725 -8.7725 -8.5857 -8.5857 -8.0783 -8.0783 -7.6021 -7.6021 -7.4500 -7.4500 0.3362 0.3362 0.6882 0.6882 8.4584 8.4584 9.4277 9.4277 9.5830 9.5830 10.2259 10.2259 10.6574 10.6574 10.6785 10.6785 13.5460 13.5460 14.9068 14.9068 15.6509 15.6509 16.7848 16.7848 k = 0.4691 0.3421 0.4001 ( 2356 PWs) bands (ev): -27.7029 -27.7029 -27.4389 -27.4389 -27.1160 -27.1160 -10.1275 -10.1275 -9.6926 -9.6926 -9.4460 -9.4460 -9.1675 -9.1675 -8.7672 -8.7672 -8.5842 -8.5842 -8.0772 -8.0772 -7.6075 -7.6075 -7.4490 -7.4490 0.3395 0.3395 0.6856 0.6856 8.4667 8.4667 9.4229 9.4229 9.5805 9.5805 10.2298 10.2298 10.6574 10.6574 10.6811 10.6811 13.5147 13.5147 14.9399 14.9399 15.6555 15.6555 16.7901 16.7901 k = 0.4630 0.3528 0.4001 ( 2360 PWs) bands (ev): -27.7027 -27.7027 -27.4363 -27.4363 -27.1188 -27.1188 -10.1235 -10.1235 -9.7047 -9.7047 -9.4636 -9.4636 -9.1472 -9.1472 -8.7609 -8.7609 -8.5823 -8.5823 -8.0756 -8.0756 -7.6139 -7.6139 -7.4480 -7.4480 0.3434 0.3434 0.6824 0.6824 8.4767 8.4767 9.4172 9.4172 9.5775 9.5775 10.2346 10.2346 10.6572 10.6572 10.6839 10.6839 13.4791 13.4791 14.9783 14.9783 15.6610 15.6610 16.7956 16.7956 k = 0.4568 0.3635 0.4001 ( 2364 PWs) bands (ev): -27.7024 -27.7024 -27.4333 -27.4333 -27.1221 -27.1221 -10.1188 -10.1188 -9.7181 -9.7181 -9.4820 -9.4820 -9.1262 -9.1262 -8.7538 -8.7538 -8.5802 -8.5802 -8.0737 -8.0737 -7.6213 -7.6213 -7.4470 -7.4470 0.3480 0.3480 0.6788 0.6788 8.4882 8.4882 9.4108 9.4108 9.5741 9.5741 10.2403 10.2403 10.6569 10.6569 10.6869 10.6869 13.4400 13.4400 15.0209 15.0209 15.6675 15.6675 16.8006 16.8006 k = 0.4506 0.3742 0.4001 ( 2360 PWs) bands (ev): -27.7021 -27.7021 -27.4297 -27.4297 -27.1259 -27.1259 -10.1134 -10.1134 -9.7325 -9.7325 -9.5008 -9.5008 -9.1049 -9.1049 -8.7460 -8.7460 -8.5778 -8.5778 -8.0715 -8.0715 -7.6295 -7.6295 -7.4458 -7.4458 0.3533 0.3533 0.6746 0.6746 8.5011 8.5011 9.4039 9.4039 9.5703 9.5703 10.2470 10.2470 10.6564 10.6564 10.6899 10.6899 13.3986 13.3986 15.0672 15.0672 15.6748 15.6748 16.8043 16.8044 k = 0.4444 0.3849 0.4001 ( 2360 PWs) bands (ev): -27.7018 -27.7018 -27.4257 -27.4257 -27.1302 -27.1302 -10.1073 -10.1073 -9.7476 -9.7476 -9.5201 -9.5201 -9.0839 -9.0839 -8.7377 -8.7377 -8.5751 -8.5751 -8.0688 -8.0688 -7.6385 -7.6385 -7.4448 -7.4448 0.3592 0.3592 0.6699 0.6699 8.5152 8.5152 9.3967 9.3967 9.5663 9.5663 10.2546 10.2546 10.6557 10.6557 10.6927 10.6927 13.3557 13.3557 15.1163 15.1163 15.6830 15.6830 16.8059 16.8059 k = 0.4383 0.3956 0.4001 ( 2360 PWs) bands (ev): -27.7015 -27.7015 -27.4213 -27.4213 -27.1349 -27.1349 -10.1006 -10.1006 -9.7631 -9.7631 -9.5396 -9.5396 -9.0632 -9.0632 -8.7289 -8.7289 -8.5722 -8.5722 -8.0657 -8.0657 -7.6482 -7.6482 -7.4438 -7.4438 0.3656 0.3656 0.6647 0.6647 8.5303 8.5303 9.3892 9.3892 9.5620 9.5620 10.2632 10.2632 10.6546 10.6546 10.6952 10.6952 13.3119 13.3119 15.1677 15.1677 15.6921 15.6921 16.8042 16.8042 k = 0.4321 0.4063 0.4001 ( 2364 PWs) bands (ev): -27.7012 -27.7012 -27.4164 -27.4164 -27.1402 -27.1402 -10.0932 -10.0932 -9.7787 -9.7787 -9.5594 -9.5594 -9.0432 -9.0432 -8.7199 -8.7199 -8.5691 -8.5691 -8.0621 -8.0621 -7.6586 -7.6586 -7.4429 -7.4429 0.3726 0.3726 0.6590 0.6590 8.5462 8.5462 9.3818 9.3818 9.5574 9.5574 10.2728 10.2728 10.6531 10.6531 10.6971 10.6971 13.2681 13.2681 15.2211 15.2211 15.7019 15.7019 16.7982 16.7982 k = 0.4259 0.4170 0.4001 ( 2360 PWs) bands (ev): -27.7008 -27.7008 -27.4110 -27.4110 -27.1459 -27.1459 -10.0852 -10.0852 -9.7943 -9.7943 -9.5793 -9.5793 -9.0240 -9.0240 -8.7106 -8.7106 -8.5658 -8.5658 -8.0579 -8.0579 -7.6695 -7.6695 -7.4420 -7.4420 0.3802 0.3802 0.6529 0.6529 8.5627 8.5627 9.3747 9.3747 9.5527 9.5527 10.2834 10.2834 10.6512 10.6512 10.6984 10.6984 13.2247 13.2247 15.2762 15.2762 15.7126 15.7126 16.7870 16.7870 k = 0.4198 0.4277 0.4001 ( 2360 PWs) bands (ev): -27.7005 -27.7005 -27.4052 -27.4052 -27.1520 -27.1520 -10.0767 -10.0767 -9.8096 -9.8096 -9.5993 -9.5993 -9.0058 -9.0058 -8.7012 -8.7012 -8.5625 -8.5625 -8.0531 -8.0531 -7.6810 -7.6810 -7.4413 -7.4413 0.3882 0.3882 0.6463 0.6463 8.5794 8.5794 9.3681 9.3681 9.5477 9.5477 10.2950 10.2950 10.6488 10.6488 10.6989 10.6989 13.1824 13.1824 15.3326 15.3326 15.7241 15.7241 16.7697 16.7697 k = 0.4136 0.4384 0.4001 ( 2364 PWs) bands (ev): -27.7001 -27.7001 -27.3989 -27.3989 -27.1586 -27.1586 -10.0676 -10.0676 -9.8245 -9.8245 -9.6193 -9.6193 -8.9889 -8.9889 -8.6918 -8.6918 -8.5591 -8.5591 -8.0477 -8.0477 -7.6929 -7.6929 -7.4406 -7.4406 0.3966 0.3966 0.6393 0.6393 8.5962 8.5962 9.3623 9.3623 9.5426 9.5426 10.3075 10.3075 10.6457 10.6457 10.6985 10.6985 13.1414 13.1414 15.3901 15.3901 15.7364 15.7364 16.7461 16.7461 k = 0.4074 0.4491 0.4001 ( 2358 PWs) bands (ev): -27.6998 -27.6998 -27.3921 -27.3921 -27.1657 -27.1657 -10.0580 -10.0580 -9.8387 -9.8387 -9.6393 -9.6393 -8.9731 -8.9731 -8.6825 -8.6825 -8.5558 -8.5558 -8.0416 -8.0416 -7.7051 -7.7051 -7.4400 -7.4400 0.4055 0.4055 0.6320 0.6320 8.6126 8.6126 9.3576 9.3576 9.5374 9.5374 10.3211 10.3211 10.6420 10.6420 10.6972 10.6972 13.1023 13.1023 15.4484 15.4484 15.7496 15.7496 16.7161 16.7161 k = 0.4012 0.4597 0.4001 ( 2358 PWs) bands (ev): -27.6994 -27.6994 -27.3850 -27.3850 -27.1732 -27.1732 -10.0481 -10.0481 -9.8521 -9.8521 -9.6591 -9.6591 -8.9587 -8.9587 -8.6733 -8.6733 -8.5525 -8.5525 -8.0349 -8.0349 -7.7177 -7.7177 -7.4395 -7.4395 0.4147 0.4147 0.6243 0.6243 8.6285 8.6285 9.3542 9.3542 9.5319 9.5319 10.3355 10.3355 10.6376 10.6376 10.6948 10.6948 13.0653 13.0653 15.5072 15.5072 15.7636 15.7636 16.6801 16.6801 k = 0.3951 0.4704 0.4001 ( 2362 PWs) bands (ev): -27.6991 -27.6991 -27.3774 -27.3774 -27.1811 -27.1811 -10.0379 -10.0379 -9.8644 -9.8644 -9.6788 -9.6788 -8.9458 -8.9458 -8.6645 -8.6645 -8.5494 -8.5494 -8.0275 -8.0275 -7.7305 -7.7305 -7.4391 -7.4391 0.4242 0.4242 0.6163 0.6163 8.6434 8.6434 9.3524 9.3524 9.5262 9.5262 10.3508 10.3508 10.6324 10.6324 10.6915 10.6915 13.0308 13.0308 15.5666 15.5666 15.7784 15.7784 16.6385 16.6385 k = 0.3889 0.4811 0.4001 ( 2358 PWs) bands (ev): -27.6988 -27.6988 -27.3694 -27.3694 -27.1893 -27.1893 -10.0275 -10.0275 -9.8755 -9.8755 -9.6981 -9.6981 -8.9343 -8.9343 -8.6560 -8.6560 -8.5464 -8.5464 -8.0194 -8.0194 -7.7435 -7.7435 -7.4387 -7.4387 0.4339 0.4339 0.6080 0.6080 8.6572 8.6572 9.3524 9.3524 9.5201 9.5201 10.3669 10.3669 10.6263 10.6263 10.6872 10.6872 12.9989 12.9989 15.6263 15.6263 15.7942 15.7942 16.5923 16.5923 k = 0.3827 0.4918 0.4001 ( 2354 PWs) bands (ev): -27.6985 -27.6985 -27.3609 -27.3609 -27.1980 -27.1980 -10.0172 -10.0172 -9.8851 -9.8851 -9.7171 -9.7171 -8.9242 -8.9242 -8.6481 -8.6481 -8.5436 -8.5436 -8.0108 -8.0108 -7.7565 -7.7565 -7.4383 -7.4383 0.4439 0.4439 0.5994 0.5994 8.6696 8.6696 9.3543 9.3543 9.5137 9.5137 10.3838 10.3838 10.6194 10.6194 10.6821 10.6821 12.9699 12.9699 15.6860 15.6860 15.8109 15.8109 16.5422 16.5422 k = 0.3765 0.5025 0.4001 ( 2354 PWs) bands (ev): -27.6982 -27.6982 -27.3521 -27.3521 -27.2071 -27.2071 -10.0073 -10.0073 -9.8930 -9.8930 -9.7356 -9.7356 -8.9156 -8.9156 -8.6408 -8.6408 -8.5411 -8.5411 -8.0016 -8.0016 -7.7694 -7.7694 -7.4380 -7.4380 0.4540 0.4540 0.5906 0.5906 8.6804 8.6804 9.3582 9.3582 9.5068 9.5068 10.4014 10.4014 10.6115 10.6115 10.6763 10.6763 12.9439 12.9439 15.7454 15.7454 15.8284 15.8284 16.4889 16.4889 k = 0.3704 0.5132 0.4001 ( 2358 PWs) bands (ev): -27.6980 -27.6980 -27.3429 -27.3429 -27.2165 -27.2165 -9.9983 -9.9983 -9.8985 -9.8985 -9.7535 -9.7535 -8.9083 -8.9083 -8.6343 -8.6343 -8.5389 -8.5389 -7.9920 -7.9920 -7.7822 -7.7822 -7.4378 -7.4378 0.4642 0.4642 0.5815 0.5815 8.6895 8.6895 9.3642 9.3642 9.4993 9.4993 10.4195 10.4195 10.6026 10.6026 10.6699 10.6699 12.9212 12.9212 15.8042 15.8042 15.8468 15.8468 16.4332 16.4333 k = 0.3642 0.5239 0.4001 ( 2354 PWs) bands (ev): -27.6978 -27.6978 -27.3333 -27.3333 -27.2263 -27.2263 -9.9908 -9.9908 -9.9012 -9.9012 -9.7708 -9.7708 -8.9023 -8.9023 -8.6287 -8.6287 -8.5369 -8.5369 -7.9823 -7.9823 -7.7945 -7.7945 -7.4376 -7.4376 0.4744 0.4744 0.5723 0.5723 8.6968 8.6968 9.3723 9.3723 9.4910 9.4910 10.4380 10.4380 10.5927 10.5927 10.6634 10.6634 12.9017 12.9017 15.8611 15.8611 15.8668 15.8668 16.3760 16.3760 k = 0.3580 0.5346 0.4001 ( 2356 PWs) bands (ev): -27.6976 -27.6976 -27.3233 -27.3233 -27.2365 -27.2365 -9.9853 -9.9853 -9.9006 -9.9006 -9.7873 -9.7873 -8.8976 -8.8976 -8.6240 -8.6240 -8.5353 -8.5353 -7.9727 -7.9727 -7.8061 -7.8061 -7.4374 -7.4374 0.4847 0.4847 0.5630 0.5630 8.7025 8.7025 9.3821 9.3821 9.4820 9.4820 10.4567 10.4567 10.5818 10.5818 10.6569 10.6569 12.8856 12.8856 15.8852 15.8852 15.9185 15.9185 16.3179 16.3179 k = 0.3519 0.5453 0.4001 ( 2356 PWs) bands (ev): -27.6975 -27.6975 -27.3130 -27.3130 -27.2469 -27.2469 -9.9819 -9.9819 -9.8968 -9.8968 -9.8025 -9.8025 -8.8940 -8.8940 -8.6204 -8.6204 -8.5340 -8.5340 -7.9637 -7.9637 -7.8165 -7.8165 -7.4372 -7.4372 0.4949 0.4949 0.5535 0.5535 8.7065 8.7065 9.3935 9.3935 9.4719 9.4719 10.4754 10.4754 10.5698 10.5698 10.6509 10.6509 12.8730 12.8730 15.9050 15.9050 15.9722 15.9722 16.2599 16.2599 k = 0.3457 0.5560 0.4001 ( 2356 PWs) bands (ev): -27.6974 -27.6974 -27.3023 -27.3023 -27.2577 -27.2577 -9.9803 -9.9803 -9.8907 -9.8907 -9.8160 -9.8160 -8.8916 -8.8916 -8.6178 -8.6178 -8.5330 -8.5330 -7.9561 -7.9561 -7.8250 -7.8250 -7.4371 -7.4371 0.5050 0.5050 0.5440 0.5440 8.7092 8.7092 9.4063 9.4063 9.4607 9.4607 10.4938 10.4938 10.5568 10.5568 10.6459 10.6459 12.8639 12.8639 15.9240 15.9240 16.0225 16.0225 16.2031 16.2031 k = 0.3395 0.5667 0.4001 ( 2360 PWs) bands (ev): -27.6973 -27.6973 -27.2913 -27.2913 -27.2687 -27.2687 -9.9799 -9.9799 -9.8845 -9.8845 -9.8263 -9.8263 -8.8902 -8.8902 -8.6163 -8.6163 -8.5324 -8.5324 -7.9508 -7.9508 -7.8308 -7.8308 -7.4370 -7.4370 0.5149 0.5149 0.5344 0.5344 8.7106 8.7106 9.4200 9.4200 9.4483 9.4483 10.5114 10.5114 10.5428 10.5428 10.6424 10.6424 12.8584 12.8584 15.9400 15.9400 16.0679 16.0679 16.1502 16.1502 k = 0.3333 0.5774 0.4001 ( 2364 PWs) bands (ev): -27.6973 -27.6973 -27.2801 -27.2801 -27.2800 -27.2800 -9.9799 -9.9799 -9.8816 -9.8816 -9.8304 -9.8304 -8.8897 -8.8897 -8.6158 -8.6158 -8.5322 -8.5322 -7.9489 -7.9489 -7.8329 -7.8329 -7.4370 -7.4370 0.5236 0.5236 0.5258 0.5258 8.7110 8.7110 9.4342 9.4342 9.4346 9.4346 10.5271 10.5271 10.5286 10.5286 10.6410 10.6410 12.8566 12.8566 15.9476 15.9476 16.1057 16.1057 16.1080 16.1080 k = 0.3333 0.5774 0.4001 ( 2364 PWs) bands (ev): -27.6973 -27.6973 -27.2801 -27.2801 -27.2800 -27.2800 -9.9799 -9.9799 -9.8816 -9.8816 -9.8304 -9.8304 -8.8897 -8.8897 -8.6158 -8.6158 -8.5322 -8.5322 -7.9489 -7.9489 -7.8329 -7.8329 -7.4370 -7.4370 0.5236 0.5236 0.5258 0.5258 8.7110 8.7110 9.4342 9.4342 9.4346 9.4346 10.5271 10.5271 10.5286 10.5286 10.6410 10.6410 12.8566 12.8566 15.9476 15.9476 16.1057 16.1057 16.1080 16.1080 k = 0.3272 0.5667 0.4001 ( 2362 PWs) bands (ev): -27.6973 -27.6973 -27.2916 -27.2916 -27.2684 -27.2684 -9.9798 -9.9798 -9.8847 -9.8847 -9.8262 -9.8262 -8.8902 -8.8902 -8.6162 -8.6162 -8.5324 -8.5324 -7.9509 -7.9509 -7.8308 -7.8308 -7.4370 -7.4370 0.5150 0.5150 0.5342 0.5342 8.7107 8.7107 9.4191 9.4191 9.4490 9.4490 10.5118 10.5118 10.5423 10.5423 10.6426 10.6426 12.8584 12.8584 15.9360 15.9360 16.0840 16.0840 16.1376 16.1376 k = 0.3210 0.5560 0.4001 ( 2358 PWs) bands (ev): -27.6974 -27.6974 -27.3034 -27.3034 -27.2566 -27.2566 -9.9793 -9.9793 -9.8922 -9.8922 -9.8155 -9.8155 -8.8914 -8.8914 -8.6177 -8.6177 -8.5330 -8.5330 -7.9566 -7.9566 -7.8248 -7.8248 -7.4371 -7.4371 0.5055 0.5055 0.5434 0.5434 8.7098 8.7098 9.4022 9.4022 9.4636 9.4636 10.4949 10.4949 10.5544 10.5544 10.6476 10.6476 12.8640 12.8640 15.9014 15.9014 16.0858 16.0858 16.1584 16.1584 k = 0.3148 0.5453 0.4001 ( 2358 PWs) bands (ev): -27.6975 -27.6975 -27.3154 -27.3154 -27.2445 -27.2445 -9.9784 -9.9784 -9.9011 -9.9011 -9.8015 -9.8015 -8.8935 -8.8935 -8.6200 -8.6200 -8.5341 -8.5341 -7.9652 -7.9652 -7.8158 -7.8158 -7.4374 -7.4374 0.4960 0.4960 0.5523 0.5523 8.7086 8.7086 9.3836 9.3836 9.4776 9.4776 10.4771 10.4771 10.5643 10.5643 10.6561 10.6561 12.8734 12.8734 15.8539 15.8539 16.1020 16.1020 16.1687 16.1687 k = 0.3086 0.5346 0.4001 ( 2362 PWs) bands (ev): -27.6977 -27.6977 -27.3276 -27.3276 -27.2321 -27.2321 -9.9771 -9.9771 -9.9099 -9.9099 -9.7857 -9.7857 -8.8963 -8.8963 -8.6232 -8.6232 -8.5356 -8.5356 -7.9760 -7.9760 -7.8047 -7.8047 -7.4377 -7.4377 0.4866 0.4866 0.5607 0.5607 8.7073 8.7073 9.3634 9.3634 9.4909 9.4909 10.4585 10.4585 10.5725 10.5725 10.6675 10.6675 12.8866 12.8866 15.8017 15.8017 16.1245 16.1245 16.1685 16.1685 k = 0.3025 0.5239 0.4001 ( 2362 PWs) bands (ev): -27.6978 -27.6978 -27.3401 -27.3401 -27.2195 -27.2195 -9.9754 -9.9754 -9.9177 -9.9177 -9.7687 -9.7687 -8.8998 -8.8998 -8.6271 -8.6271 -8.5374 -8.5374 -7.9881 -7.9881 -7.7923 -7.7923 -7.4382 -7.4382 0.4773 0.4773 0.5688 0.5688 8.7060 8.7060 9.3415 9.3415 9.5030 9.5030 10.4392 10.4392 10.5802 10.5802 10.6807 10.6807 12.9035 12.9035 15.7481 15.7481 16.1500 16.1500 16.1591 16.1591 k = 0.2963 0.5132 0.4001 ( 2364 PWs) bands (ev): -27.6981 -27.6981 -27.3526 -27.3526 -27.2068 -27.2068 -9.9738 -9.9738 -9.9238 -9.9238 -9.7509 -9.7509 -8.9039 -8.9039 -8.6317 -8.6317 -8.5396 -8.5396 -8.0013 -8.0013 -7.7792 -7.7792 -7.4388 -7.4388 0.4682 0.4682 0.5764 0.5764 8.7049 8.7049 9.3180 9.3180 9.5138 9.5138 10.4193 10.4193 10.5880 10.5880 10.6949 10.6949 12.9243 12.9243 15.6947 15.6947 16.1417 16.1417 16.1769 16.1769 k = 0.2901 0.5025 0.4001 ( 2368 PWs) bands (ev): -27.6983 -27.6983 -27.3653 -27.3653 -27.1938 -27.1938 -9.9730 -9.9730 -9.9274 -9.9274 -9.7325 -9.7325 -8.9087 -8.9087 -8.6370 -8.6370 -8.5422 -8.5422 -8.0151 -8.0151 -7.7658 -7.7658 -7.4397 -7.4397 0.4592 0.4592 0.5835 0.5835 8.7042 8.7042 9.2930 9.2930 9.5229 9.5229 10.3989 10.3989 10.5968 10.5968 10.7094 10.7094 12.9489 12.9489 15.6421 15.6421 16.1180 16.1180 16.2044 16.2044 k = 0.2840 0.4918 0.4001 ( 2364 PWs) bands (ev): -27.6986 -27.6986 -27.3782 -27.3782 -27.1807 -27.1807 -9.9733 -9.9733 -9.9278 -9.9278 -9.7136 -9.7136 -8.9139 -8.9139 -8.6429 -8.6429 -8.5450 -8.5450 -8.0294 -8.0294 -7.7522 -7.7522 -7.4408 -7.4408 0.4504 0.4504 0.5901 0.5901 8.7039 8.7039 9.2665 9.2665 9.5302 9.5302 10.3780 10.3780 10.6069 10.6069 10.7237 10.7237 12.9772 12.9772 15.5908 15.5908 16.0890 16.0890 16.2320 16.2320 k = 0.2778 0.4811 0.4001 ( 2360 PWs) bands (ev): -27.6990 -27.6990 -27.3911 -27.3911 -27.1674 -27.1674 -9.9750 -9.9750 -9.9249 -9.9249 -9.6943 -9.6943 -8.9196 -8.9196 -8.6493 -8.6493 -8.5481 -8.5481 -8.0440 -8.0440 -7.7387 -7.7387 -7.4420 -7.4420 0.4419 0.4419 0.5962 0.5962 8.7041 8.7041 9.2387 9.2387 9.5354 9.5354 10.3569 10.3569 10.6184 10.6184 10.7376 10.7376 13.0092 13.0092 15.5411 15.5411 16.0556 16.0556 16.2592 16.2592 k = 0.2716 0.4704 0.4001 ( 2356 PWs) bands (ev): -27.6994 -27.6994 -27.4041 -27.4041 -27.1541 -27.1541 -9.9775 -9.9775 -9.9192 -9.9192 -9.6747 -9.6747 -8.9258 -8.9258 -8.6563 -8.6563 -8.5513 -8.5513 -8.0590 -8.0590 -7.7256 -7.7256 -7.4435 -7.4435 0.4336 0.4336 0.6018 0.6018 8.7048 8.7048 9.2098 9.2098 9.5385 9.5385 10.3357 10.3357 10.6314 10.6314 10.7508 10.7508 13.0447 13.0447 15.4930 15.4930 16.0182 16.0182 16.2855 16.2855 k = 0.2654 0.4597 0.4001 ( 2356 PWs) bands (ev): -27.6998 -27.6998 -27.4172 -27.4172 -27.1406 -27.1406 -9.9801 -9.9801 -9.9113 -9.9113 -9.6548 -9.6548 -8.9324 -8.9324 -8.6637 -8.6637 -8.5548 -8.5548 -8.0742 -8.0742 -7.7129 -7.7129 -7.4453 -7.4453 0.4256 0.4256 0.6067 0.6067 8.7062 8.7062 9.1799 9.1799 9.5393 9.5393 10.3145 10.3145 10.6459 10.6459 10.7635 10.7635 13.0835 13.0835 15.4469 15.4469 15.9773 15.9773 16.3107 16.3107 k = 0.2593 0.4491 0.4001 ( 2356 PWs) bands (ev): -27.7003 -27.7003 -27.4304 -27.4304 -27.1270 -27.1270 -9.9826 -9.9826 -9.9017 -9.9017 -9.6347 -9.6347 -8.9393 -8.9393 -8.6716 -8.6716 -8.5583 -8.5583 -8.0895 -8.0895 -7.7008 -7.7008 -7.4473 -7.4473 0.4178 0.4178 0.6111 0.6111 8.7081 8.7081 9.1491 9.1491 9.5376 9.5376 10.2934 10.2934 10.6615 10.6615 10.7758 10.7758 13.1254 13.1254 15.4027 15.4027 15.9328 15.9328 16.3342 16.3342 k = 0.2531 0.4384 0.4001 ( 2348 PWs) bands (ev): -27.7008 -27.7008 -27.4435 -27.4435 -27.1134 -27.1134 -9.9844 -9.9844 -9.8907 -9.8907 -9.6143 -9.6143 -8.9465 -8.9465 -8.6798 -8.6798 -8.5619 -8.5619 -8.1050 -8.1050 -7.6894 -7.6894 -7.4497 -7.4497 0.4103 0.4103 0.6148 0.6148 8.7107 8.7107 9.1177 9.1177 9.5336 9.5336 10.2727 10.2727 10.6779 10.6779 10.7880 10.7880 13.1702 13.1702 15.3607 15.3607 15.8848 15.8848 16.3556 16.3556 k = 0.2469 0.4277 0.4001 ( 2348 PWs) bands (ev): -27.7013 -27.7013 -27.4567 -27.4567 -27.0998 -27.0998 -9.9855 -9.9855 -9.8784 -9.8784 -9.5938 -9.5938 -8.9539 -8.9539 -8.6884 -8.6884 -8.5656 -8.5656 -8.1207 -8.1207 -7.6787 -7.6787 -7.4523 -7.4523 0.4031 0.4031 0.6180 0.6180 8.7138 8.7138 9.0858 9.0858 9.5270 9.5270 10.2526 10.2526 10.6944 10.6944 10.8007 10.8007 13.2175 13.2175 15.3208 15.3208 15.8326 15.8326 16.3748 16.3748 k = 0.2407 0.4170 0.4001 ( 2356 PWs) bands (ev): -27.7019 -27.7019 -27.4699 -27.4699 -27.0861 -27.0861 -9.9857 -9.9857 -9.8651 -9.8651 -9.5732 -9.5732 -8.9617 -8.9617 -8.6974 -8.6974 -8.5694 -8.5694 -8.1365 -8.1365 -7.6689 -7.6689 -7.4552 -7.4552 0.3962 0.3962 0.6205 0.6205 8.7173 8.7173 9.0537 9.0537 9.5180 9.5180 10.2331 10.2331 10.7103 10.7103 10.8146 10.8146 13.2669 13.2669 15.2831 15.2831 15.7762 15.7762 16.3911 16.3911 k = 0.2346 0.4063 0.4001 ( 2350 PWs) bands (ev): -27.7025 -27.7025 -27.4830 -27.4830 -27.0725 -27.0725 -9.9850 -9.9850 -9.8507 -9.8507 -9.5524 -9.5524 -8.9694 -8.9694 -8.7066 -8.7066 -8.5732 -8.5732 -8.1523 -8.1523 -7.6601 -7.6601 -7.4584 -7.4584 0.3897 0.3897 0.6225 0.6225 8.7214 8.7214 9.0214 9.0214 9.5065 9.5065 10.2146 10.2146 10.7245 10.7245 10.8308 10.8308 13.3179 13.3179 15.2477 15.2477 15.7151 15.7151 16.4046 16.4046 k = 0.2284 0.3956 0.4001 ( 2350 PWs) bands (ev): -27.7031 -27.7031 -27.4961 -27.4961 -27.0588 -27.0588 -9.9833 -9.9833 -9.8354 -9.8354 -9.5315 -9.5315 -8.9773 -8.9773 -8.7160 -8.7160 -8.5769 -8.5769 -8.1683 -8.1683 -7.6523 -7.6523 -7.4618 -7.4618 0.3835 0.3835 0.6239 0.6239 8.7257 8.7257 8.9893 8.9893 9.4926 9.4926 10.1972 10.1972 10.7362 10.7362 10.8499 10.8499 13.3700 13.3700 15.2146 15.2146 15.6491 15.6491 16.4147 16.4147 k = 0.2222 0.3849 0.4001 ( 2354 PWs) bands (ev): -27.7037 -27.7037 -27.5091 -27.5091 -27.0453 -27.0453 -9.9806 -9.9806 -9.8194 -9.8194 -9.5106 -9.5106 -8.9852 -8.9852 -8.7257 -8.7257 -8.5807 -8.5807 -8.1843 -8.1843 -7.6457 -7.6457 -7.4655 -7.4655 0.3776 0.3776 0.6247 0.6247 8.7303 8.7303 8.9573 8.9573 9.4764 9.4764 10.1812 10.1812 10.7450 10.7450 10.8723 10.8723 13.4225 13.4225 15.1839 15.1839 15.5781 15.5781 16.4215 16.4215 k = 0.2160 0.3742 0.4001 ( 2354 PWs) bands (ev): -27.7044 -27.7044 -27.5220 -27.5220 -27.0318 -27.0318 -9.9769 -9.9769 -9.8027 -9.8027 -9.4897 -9.4897 -8.9931 -8.9931 -8.7355 -8.7355 -8.5844 -8.5844 -8.2003 -8.2003 -7.6402 -7.6402 -7.4693 -7.4693 0.3720 0.3720 0.6249 0.6249 8.7349 8.7349 8.9258 8.9258 9.4580 9.4580 10.1666 10.1666 10.7510 10.7510 10.8980 10.8980 13.4747 13.4747 15.1555 15.1555 15.5024 15.5024 16.4249 16.4249 k = 0.2099 0.3635 0.4001 ( 2346 PWs) bands (ev): -27.7051 -27.7051 -27.5348 -27.5348 -27.0183 -27.0183 -9.9722 -9.9722 -9.7853 -9.7853 -9.4687 -9.4687 -9.0009 -9.0009 -8.7454 -8.7454 -8.5881 -8.5881 -8.2163 -8.2163 -7.6359 -7.6359 -7.4733 -7.4733 0.3668 0.3668 0.6245 0.6245 8.7396 8.7396 8.8948 8.8948 9.4375 9.4375 10.1539 10.1539 10.7547 10.7547 10.9264 10.9264 13.5258 13.5258 15.1295 15.1295 15.4226 15.4226 16.4250 16.4250 k = 0.2037 0.3528 0.4001 ( 2342 PWs) bands (ev): -27.7058 -27.7058 -27.5474 -27.5474 -27.0050 -27.0050 -9.9664 -9.9664 -9.7674 -9.7674 -9.4477 -9.4477 -9.0085 -9.0085 -8.7555 -8.7555 -8.5917 -8.5917 -8.2324 -8.2324 -7.6329 -7.6329 -7.4774 -7.4774 0.3619 0.3619 0.6237 0.6237 8.7441 8.7441 8.8646 8.8646 9.4151 9.4151 10.1430 10.1430 10.7564 10.7564 10.9571 10.9571 13.5746 13.5746 15.1059 15.1059 15.3398 15.3398 16.4217 16.4217 k = 0.1975 0.3421 0.4001 ( 2334 PWs) bands (ev): -27.7065 -27.7065 -27.5599 -27.5599 -26.9919 -26.9919 -9.9596 -9.9596 -9.7490 -9.7490 -9.4267 -9.4267 -9.0159 -9.0159 -8.7657 -8.7657 -8.5953 -8.5953 -8.2484 -8.2484 -7.6313 -7.6313 -7.4815 -7.4815 0.3573 0.3573 0.6223 0.6223 8.7482 8.7482 8.8351 8.8351 9.3908 9.3908 10.1343 10.1343 10.7566 10.7566 10.9897 10.9897 13.6199 13.6199 15.0848 15.0848 15.2554 15.2554 16.4154 16.4154 k = 0.1914 0.3314 0.4001 ( 2338 PWs) bands (ev): -27.7073 -27.7073 -27.5723 -27.5723 -26.9789 -26.9789 -9.9518 -9.9518 -9.7303 -9.7303 -9.4059 -9.4059 -9.0230 -9.0230 -8.7759 -8.7759 -8.5989 -8.5989 -8.2644 -8.2644 -7.6312 -7.6312 -7.4858 -7.4858 0.3531 0.3531 0.6204 0.6204 8.7519 8.7519 8.8066 8.8066 9.3649 9.3649 10.1279 10.1279 10.7555 10.7555 11.0239 11.0239 13.6603 13.6603 15.0658 15.0658 15.1714 15.1714 16.4063 16.4063 k = 0.1852 0.3208 0.4001 ( 2338 PWs) bands (ev): -27.7081 -27.7081 -27.5844 -27.5844 -26.9660 -26.9660 -9.9430 -9.9430 -9.7113 -9.7113 -9.3852 -9.3852 -9.0297 -9.0297 -8.7862 -8.7862 -8.6025 -8.6025 -8.2803 -8.2803 -7.6324 -7.6324 -7.4901 -7.4901 0.3492 0.3492 0.6181 0.6181 8.7549 8.7549 8.7792 8.7792 9.3375 9.3375 10.1239 10.1239 10.7535 10.7535 11.0592 11.0592 13.6941 13.6941 15.0492 15.0492 15.0900 15.0900 16.3948 16.3948 k = 0.1790 0.3101 0.4001 ( 2342 PWs) bands (ev): -27.7088 -27.7088 -27.5964 -27.5964 -26.9534 -26.9534 -9.9333 -9.9333 -9.6922 -9.6922 -9.3647 -9.3647 -9.0360 -9.0360 -8.7966 -8.7966 -8.6060 -8.6060 -8.2961 -8.2961 -7.6350 -7.6350 -7.4945 -7.4945 0.3456 0.3456 0.6154 0.6154 8.7528 8.7528 8.7575 8.7575 9.3089 9.3089 10.1226 10.1226 10.7505 10.7505 11.0955 11.0955 13.7193 13.7193 15.0133 15.0133 15.0354 15.0354 16.3810 16.3811 k = 0.1728 0.2994 0.4001 ( 2342 PWs) bands (ev): -27.7096 -27.7096 -27.6081 -27.6081 -26.9410 -26.9410 -9.9225 -9.9225 -9.6731 -9.6731 -9.3445 -9.3445 -9.0416 -9.0416 -8.8070 -8.8070 -8.6096 -8.6096 -8.3117 -8.3117 -7.6389 -7.6389 -7.4990 -7.4990 0.3423 0.3423 0.6122 0.6122 8.7280 8.7280 8.7588 8.7588 9.2792 9.2792 10.1239 10.1239 10.7470 10.7470 11.1324 11.1324 13.7338 13.7338 14.9451 14.9451 15.0233 15.0233 16.3654 16.3654 k = 0.1667 0.2887 0.4001 ( 2342 PWs) bands (ev): -27.7104 -27.7104 -27.6196 -27.6196 -26.9288 -26.9288 -9.9108 -9.9108 -9.6540 -9.6540 -9.3246 -9.3246 -9.0464 -9.0464 -8.8175 -8.8175 -8.6131 -8.6131 -8.3272 -8.3272 -7.6440 -7.6440 -7.5035 -7.5035 0.3393 0.3393 0.6087 0.6087 8.7045 8.7045 8.7593 8.7593 9.2486 9.2486 10.1280 10.1280 10.7429 10.7429 11.1698 11.1698 13.7355 13.7355 14.8872 14.8872 15.0136 15.0136 16.3483 16.3483 k = 0.1605 0.2780 0.4001 ( 2346 PWs) bands (ev): -27.7112 -27.7112 -27.6308 -27.6308 -26.9169 -26.9169 -9.8981 -9.8981 -9.6350 -9.6350 -9.3054 -9.3054 -9.0504 -9.0504 -8.8280 -8.8280 -8.6166 -8.6166 -8.3424 -8.3424 -7.6504 -7.6504 -7.5082 -7.5082 0.3365 0.3365 0.6050 0.6050 8.6824 8.6824 8.7587 8.7587 9.2174 9.2174 10.1349 10.1349 10.7384 10.7384 11.2074 11.2074 13.7231 13.7231 14.8418 14.8418 15.0061 15.0061 16.3300 16.3300 k = 0.1543 0.2673 0.4001 ( 2346 PWs) bands (ev): -27.7120 -27.7120 -27.6417 -27.6417 -26.9053 -26.9053 -9.8846 -9.8846 -9.6163 -9.6163 -9.2868 -9.2868 -9.0532 -9.0532 -8.8386 -8.8386 -8.6200 -8.6200 -8.3574 -8.3574 -7.6578 -7.6578 -7.5131 -7.5131 0.3341 0.3341 0.6009 0.6009 8.6618 8.6618 8.7571 8.7571 9.1857 9.1857 10.1445 10.1445 10.7335 10.7335 11.2448 11.2448 13.6961 13.6961 14.8098 14.8098 15.0007 15.0007 16.3108 16.3108 k = 0.1481 0.2566 0.4001 ( 2342 PWs) bands (ev): -27.7128 -27.7128 -27.6524 -27.6524 -26.8939 -26.8939 -9.8701 -9.8701 -9.5979 -9.5979 -9.2692 -9.2692 -9.0546 -9.0546 -8.8491 -8.8491 -8.6235 -8.6235 -8.3721 -8.3721 -7.6662 -7.6662 -7.5183 -7.5183 0.3318 0.3318 0.5966 0.5966 8.6428 8.6428 8.7544 8.7544 9.1538 9.1538 10.1568 10.1568 10.7284 10.7284 11.2819 11.2819 13.6553 13.6553 14.7910 14.7910 14.9974 14.9974 16.2910 16.2910 k = 0.1420 0.2459 0.4001 ( 2346 PWs) bands (ev): -27.7136 -27.7136 -27.6627 -27.6627 -26.8829 -26.8829 -9.8549 -9.8549 -9.5799 -9.5799 -9.2529 -9.2529 -9.0543 -9.0543 -8.8598 -8.8598 -8.6269 -8.6269 -8.3865 -8.3865 -7.6755 -7.6755 -7.5238 -7.5238 0.3299 0.3299 0.5921 0.5921 8.6253 8.6253 8.7506 8.7506 9.1219 9.1219 10.1716 10.1716 10.7232 10.7232 11.3182 11.3182 13.6029 13.6029 14.7839 14.7839 14.9960 14.9960 16.2707 16.2707 k = 0.1358 0.2352 0.4001 ( 2348 PWs) bands (ev): -27.7143 -27.7143 -27.6728 -27.6728 -26.8721 -26.8721 -9.8389 -9.8389 -9.5625 -9.5625 -9.2382 -9.2382 -9.0521 -9.0521 -8.8705 -8.8705 -8.6304 -8.6304 -8.4004 -8.4004 -7.6855 -7.6855 -7.5295 -7.5295 0.3281 0.3281 0.5874 0.5874 8.6096 8.6096 8.7456 8.7456 9.0902 9.0902 10.1890 10.1890 10.7178 10.7178 11.3534 11.3534 13.5414 13.5414 14.7865 14.7865 14.9965 14.9965 16.2503 16.2503 k = 0.1296 0.2245 0.4001 ( 2356 PWs) bands (ev): -27.7151 -27.7151 -27.6825 -27.6825 -26.8618 -26.8618 -9.8222 -9.8222 -9.5458 -9.5458 -9.2255 -9.2255 -9.0477 -9.0477 -8.8813 -8.8813 -8.6338 -8.6338 -8.4138 -8.4138 -7.6962 -7.6962 -7.5357 -7.5357 0.3266 0.3266 0.5826 0.5826 8.5955 8.5955 8.7396 8.7396 9.0589 9.0589 10.2085 10.2085 10.7124 10.7124 11.3872 11.3872 13.4739 13.4739 14.7966 14.7966 14.9989 14.9989 16.2299 16.2299 k = 0.1235 0.2138 0.4001 ( 2356 PWs) bands (ev): -27.7159 -27.7159 -27.6918 -27.6918 -26.8518 -26.8518 -9.8047 -9.8047 -9.5296 -9.5296 -9.2149 -9.2149 -9.0410 -9.0410 -8.8920 -8.8920 -8.6371 -8.6371 -8.4267 -8.4267 -7.7073 -7.7073 -7.5421 -7.5421 0.3252 0.3252 0.5777 0.5777 8.5830 8.5830 8.7326 8.7326 9.0281 9.0281 10.2302 10.2302 10.7069 10.7069 11.4191 11.4191 13.4029 13.4029 14.8121 14.8121 15.0029 15.0029 16.2099 16.2099 k = 0.1173 0.2031 0.4001 ( 2356 PWs) bands (ev): -27.7166 -27.7166 -27.7008 -27.7008 -26.8422 -26.8422 -9.7867 -9.7867 -9.5142 -9.5142 -9.2064 -9.2064 -9.0323 -9.0323 -8.9027 -8.9027 -8.6403 -8.6403 -8.4390 -8.4390 -7.7189 -7.7189 -7.5488 -7.5488 0.3241 0.3241 0.5728 0.5728 8.5722 8.5722 8.7246 8.7246 8.9982 8.9982 10.2537 10.2537 10.7016 10.7016 11.4486 11.4486 13.3309 13.3309 14.8315 14.8315 15.0085 15.0085 16.1904 16.1904 k = 0.1111 0.1925 0.4001 ( 2360 PWs) bands (ev): -27.7173 -27.7173 -27.7094 -27.7094 -26.8330 -26.8330 -9.7681 -9.7681 -9.4995 -9.4995 -9.1999 -9.1999 -9.0220 -9.0220 -8.9129 -8.9129 -8.6435 -8.6435 -8.4506 -8.4506 -7.7309 -7.7309 -7.5559 -7.5559 0.3231 0.3231 0.5679 0.5679 8.5630 8.5630 8.7158 8.7158 8.9693 8.9693 10.2787 10.2787 10.6963 10.6963 11.4754 11.4754 13.2598 13.2598 14.8534 14.8534 15.0154 15.0154 16.1715 16.1715 k = 0.1049 0.1818 0.4001 ( 2358 PWs) bands (ev): -27.7180 -27.7180 -27.7176 -27.7176 -26.8242 -26.8242 -9.7490 -9.7490 -9.4856 -9.4856 -9.1950 -9.1950 -9.0113 -9.0113 -8.9222 -8.9222 -8.6464 -8.6464 -8.4616 -8.4616 -7.7431 -7.7431 -7.5633 -7.5633 0.3222 0.3222 0.5630 0.5630 8.5554 8.5554 8.7062 8.7062 8.9416 8.9416 10.3050 10.3050 10.6911 10.6911 11.4988 11.4988 13.1913 13.1913 14.8769 14.8769 15.0236 15.0236 16.1537 16.1537 k = 0.0988 0.1711 0.4001 ( 2358 PWs) bands (ev): -27.7254 -27.7254 -27.7186 -27.7186 -26.8158 -26.8158 -9.7296 -9.7296 -9.4723 -9.4723 -9.1915 -9.1915 -9.0019 -9.0019 -8.9292 -8.9292 -8.6492 -8.6492 -8.4718 -8.4718 -7.7555 -7.7555 -7.5708 -7.5708 0.3215 0.3215 0.5581 0.5581 8.5493 8.5493 8.6958 8.6958 8.9153 8.9153 10.3322 10.3322 10.6861 10.6861 11.5185 11.5185 13.1268 13.1268 14.9013 14.9013 15.0329 15.0329 16.1369 16.1369 k = 0.0926 0.1604 0.4001 ( 2358 PWs) bands (ev): -27.7328 -27.7328 -27.7193 -27.7193 -26.8078 -26.8078 -9.7100 -9.7100 -9.4598 -9.4598 -9.1889 -9.1889 -8.9969 -8.9969 -8.9315 -8.9315 -8.6516 -8.6516 -8.4812 -8.4812 -7.7680 -7.7680 -7.5786 -7.5786 0.3209 0.3209 0.5534 0.5534 8.5447 8.5447 8.6849 8.6849 8.8905 8.8905 10.3600 10.3600 10.6813 10.6813 11.5340 11.5340 13.0673 13.0673 14.9262 14.9262 15.0431 15.0431 16.1214 16.1214 k = 0.0864 0.1497 0.4001 ( 2358 PWs) bands (ev): -27.7397 -27.7397 -27.7199 -27.7199 -26.8003 -26.8003 -9.6902 -9.6902 -9.4479 -9.4479 -9.1870 -9.1870 -8.9987 -8.9987 -8.9272 -8.9272 -8.6537 -8.6537 -8.4898 -8.4898 -7.7805 -7.7805 -7.5864 -7.5864 0.3204 0.3204 0.5488 0.5488 8.5413 8.5413 8.6734 8.6734 8.8674 8.8674 10.3882 10.3882 10.6767 10.6767 11.5449 11.5449 13.0139 13.0139 14.9509 14.9509 15.0540 15.0540 16.1074 16.1074 k = 0.0802 0.1390 0.4001 ( 2350 PWs) bands (ev): -27.7462 -27.7462 -27.7205 -27.7205 -26.7933 -26.7933 -9.6704 -9.6704 -9.4364 -9.4364 -9.1856 -9.1856 -9.0064 -9.0064 -8.9176 -8.9176 -8.6552 -8.6552 -8.4975 -8.4975 -7.7928 -7.7928 -7.5942 -7.5942 0.3200 0.3200 0.5444 0.5444 8.5393 8.5393 8.6616 8.6616 8.8460 8.8460 10.4163 10.4163 10.6724 10.6724 11.5512 11.5512 12.9670 12.9670 14.9754 14.9754 15.0654 15.0654 16.0951 16.0951 k = 0.0741 0.1283 0.4001 ( 2358 PWs) bands (ev): -27.7523 -27.7523 -27.7210 -27.7210 -26.7867 -26.7867 -9.6509 -9.6509 -9.4253 -9.4253 -9.1846 -9.1846 -9.0178 -9.0178 -8.9054 -8.9054 -8.6563 -8.6563 -8.5044 -8.5044 -7.8050 -7.8050 -7.6020 -7.6020 0.3196 0.3196 0.5402 0.5402 8.5382 8.5382 8.6496 8.6496 8.8264 8.8264 10.4440 10.4440 10.6683 10.6683 11.5528 11.5528 12.9269 12.9269 14.9992 14.9992 15.0769 15.0769 16.0846 16.0846 k = 0.0679 0.1176 0.4001 ( 2354 PWs) bands (ev): -27.7580 -27.7580 -27.7215 -27.7215 -26.7806 -26.7806 -9.6317 -9.6317 -9.4145 -9.4145 -9.1837 -9.1837 -9.0313 -9.0313 -8.8925 -8.8925 -8.6567 -8.6567 -8.5103 -8.5103 -7.8169 -7.8169 -7.6096 -7.6096 0.3194 0.3194 0.5362 0.5362 8.5382 8.5382 8.6375 8.6375 8.8087 8.8087 10.4711 10.4711 10.6645 10.6645 11.5499 11.5499 12.8938 12.8938 15.0221 15.0221 15.0885 15.0885 16.0761 16.0761 k = 0.0617 0.1069 0.4001 ( 2354 PWs) bands (ev): -27.7631 -27.7631 -27.7220 -27.7220 -26.7751 -26.7751 -9.6133 -9.6133 -9.4036 -9.4036 -9.1831 -9.1831 -9.0461 -9.0461 -8.8800 -8.8800 -8.6563 -8.6563 -8.5155 -8.5155 -7.8284 -7.8284 -7.6169 -7.6169 0.3192 0.3192 0.5324 0.5324 8.5390 8.5390 8.6255 8.6255 8.7929 8.7929 10.4970 10.4970 10.6611 10.6611 11.5432 11.5432 12.8673 12.8673 15.0439 15.0439 15.0999 15.0999 16.0698 16.0698 k = 0.0556 0.0962 0.4001 ( 2352 PWs) bands (ev): -27.7678 -27.7678 -27.7224 -27.7224 -26.7700 -26.7700 -9.5957 -9.5957 -9.3925 -9.3925 -9.1828 -9.1828 -9.0618 -9.0618 -8.8683 -8.8683 -8.6553 -8.6553 -8.5198 -8.5198 -7.8393 -7.8393 -7.6239 -7.6239 0.3190 0.3190 0.5290 0.5290 8.5404 8.5404 8.6139 8.6139 8.7788 8.7788 10.5216 10.5216 10.6580 10.6580 11.5332 11.5332 12.8468 12.8468 15.0642 15.0642 15.1109 15.1109 16.0656 16.0656 k = 0.0494 0.0855 0.4001 ( 2352 PWs) bands (ev): -27.7720 -27.7720 -27.7228 -27.7228 -26.7654 -26.7654 -9.5793 -9.5793 -9.3809 -9.3809 -9.1829 -9.1829 -9.0780 -9.0780 -8.8579 -8.8579 -8.6536 -8.6536 -8.5233 -8.5233 -7.8497 -7.8497 -7.6305 -7.6305 0.3189 0.3189 0.5258 0.5258 8.5423 8.5423 8.6029 8.6029 8.7665 8.7665 10.5444 10.5444 10.6554 10.6554 11.5209 11.5209 12.8316 12.8316 15.0830 15.0830 15.1213 15.1213 16.0636 16.0636 k = 0.0432 0.0748 0.4001 ( 2348 PWs) bands (ev): -27.7758 -27.7758 -27.7231 -27.7231 -26.7614 -26.7614 -9.5644 -9.5644 -9.3686 -9.3686 -9.1835 -9.1835 -9.0944 -9.0944 -8.8489 -8.8489 -8.6514 -8.6514 -8.5261 -8.5261 -7.8593 -7.8593 -7.6365 -7.6365 0.3188 0.3188 0.5230 0.5230 8.5445 8.5445 8.5927 8.5927 8.7558 8.7558 10.5652 10.5652 10.6532 10.6532 11.5071 11.5071 12.8209 12.8209 15.1000 15.1000 15.1309 15.1309 16.0636 16.0636 k = 0.0370 0.0642 0.4001 ( 2348 PWs) bands (ev): -27.7790 -27.7790 -27.7234 -27.7234 -26.7578 -26.7578 -9.5512 -9.5512 -9.3553 -9.3553 -9.1851 -9.1851 -9.1104 -9.1104 -8.8415 -8.8415 -8.6489 -8.6489 -8.5282 -8.5282 -7.8680 -7.8680 -7.6420 -7.6420 0.3187 0.3187 0.5205 0.5205 8.5468 8.5468 8.5835 8.5835 8.7468 8.7468 10.5834 10.5834 10.6516 10.6516 11.4929 11.4929 12.8138 12.8138 15.1149 15.1149 15.1397 15.1397 16.0655 16.0655 k = 0.0309 0.0535 0.4001 ( 2348 PWs) bands (ev): -27.7818 -27.7818 -27.7237 -27.7237 -26.7548 -26.7548 -9.5400 -9.5400 -9.3411 -9.3411 -9.1885 -9.1885 -9.1252 -9.1252 -8.8354 -8.8354 -8.6462 -8.6462 -8.5296 -8.5296 -7.8757 -7.8757 -7.6467 -7.6467 0.3187 0.3187 0.5184 0.5184 8.5490 8.5490 8.5754 8.5754 8.7392 8.7392 10.5989 10.5989 10.6507 10.6507 11.4791 11.4791 12.8094 12.8094 15.1275 15.1275 15.1475 15.1475 16.0689 16.0689 k = 0.0247 0.0428 0.4001 ( 2342 PWs) bands (ev): -27.7840 -27.7840 -27.7239 -27.7239 -26.7524 -26.7524 -9.5307 -9.5307 -9.3258 -9.3258 -9.1946 -9.1946 -9.1375 -9.1375 -8.8307 -8.8307 -8.6436 -8.6436 -8.5305 -8.5305 -7.8822 -7.8822 -7.6507 -7.6507 0.3187 0.3187 0.5166 0.5166 8.5510 8.5510 8.5687 8.5687 8.7331 8.7331 10.6110 10.6110 10.6507 10.6507 11.4667 11.4667 12.8070 12.8070 15.1376 15.1376 15.1543 15.1543 16.0732 16.0732 k = 0.0185 0.0321 0.4001 ( 2338 PWs) bands (ev): -27.7858 -27.7858 -27.7241 -27.7241 -26.7505 -26.7505 -9.5236 -9.5236 -9.3097 -9.3097 -9.2045 -9.2045 -9.1461 -9.1461 -8.8273 -8.8273 -8.6414 -8.6414 -8.5310 -8.5310 -7.8874 -7.8874 -7.6538 -7.6538 0.3186 0.3186 0.5152 0.5152 8.5525 8.5525 8.5636 8.5636 8.7284 8.7284 10.6196 10.6196 10.6519 10.6519 11.4562 11.4562 12.8058 12.8058 15.1452 15.1452 15.1601 15.1601 16.0778 16.0778 k = 0.0123 0.0214 0.4001 ( 2338 PWs) bands (ev): -27.7870 -27.7870 -27.7242 -27.7242 -26.7491 -26.7491 -9.5186 -9.5186 -9.2932 -9.2932 -9.2175 -9.2175 -9.1513 -9.1513 -8.8249 -8.8249 -8.6397 -8.6397 -8.5313 -8.5313 -7.8912 -7.8912 -7.6561 -7.6561 0.3186 0.3186 0.5142 0.5142 8.5532 8.5532 8.5602 8.5602 8.7251 8.7251 10.6247 10.6247 10.6538 10.6538 11.4484 11.4484 12.8054 12.8054 15.1504 15.1504 15.1646 15.1646 16.0819 16.0819 k = 0.0062 0.0107 0.4001 ( 2344 PWs) bands (ev): -27.7878 -27.7878 -27.7243 -27.7243 -26.7483 -26.7483 -9.5156 -9.5156 -9.2777 -9.2777 -9.2315 -9.2315 -9.1538 -9.1538 -8.8235 -8.8235 -8.6386 -8.6386 -8.5314 -8.5314 -7.8935 -7.8935 -7.6575 -7.6575 0.3186 0.3186 0.5136 0.5136 8.5531 8.5531 8.5588 8.5588 8.7231 8.7231 10.6272 10.6272 10.6555 10.6555 11.4435 11.4435 12.8052 12.8052 15.1533 15.1533 15.1674 15.1674 16.0847 16.0847 k = 0.0000 0.0000 0.4001 ( 2348 PWs) bands (ev): -27.7881 -27.7881 -27.7243 -27.7243 -26.7480 -26.7480 -9.5146 -9.5146 -9.2692 -9.2692 -9.2397 -9.2397 -9.1546 -9.1546 -8.8231 -8.8231 -8.6383 -8.6383 -8.5315 -8.5315 -7.8943 -7.8943 -7.6580 -7.6580 0.3186 0.3186 0.5134 0.5134 8.5529 8.5529 8.5585 8.5585 8.7224 8.7224 10.6279 10.6279 10.6562 10.6562 11.4418 11.4418 12.8052 12.8052 15.1542 15.1542 15.1684 15.1684 16.0857 16.0857 k = 0.5000 0.2887 0.4001 ( 2368 PWs) bands (ev): -27.7035 -27.7035 -27.4448 -27.4448 -27.1096 -27.1096 -10.1367 -10.1367 -9.6621 -9.6621 -9.3910 -9.3910 -9.2310 -9.2310 -8.7826 -8.7826 -8.5884 -8.5884 -8.0805 -8.0805 -7.5922 -7.5922 -7.4521 -7.4521 0.3304 0.3304 0.6928 0.6928 8.4432 8.4432 9.4367 9.4367 9.5876 9.5876 10.2189 10.2189 10.6573 10.6573 10.6735 10.6735 13.6071 13.6071 14.8426 14.8426 15.6426 15.6426 16.7736 16.7736 k = 0.5000 0.2887 0.3876 ( 2368 PWs) bands (ev): -27.7035 -27.7035 -27.4448 -27.4448 -27.1096 -27.1096 -10.1362 -10.1362 -9.6623 -9.6623 -9.3915 -9.3915 -9.2301 -9.2301 -8.7824 -8.7824 -8.5888 -8.5888 -8.0809 -8.0809 -7.5920 -7.5920 -7.4522 -7.4522 0.3300 0.3300 0.6919 0.6919 8.4443 8.4443 9.4366 9.4366 9.5883 9.5883 10.2205 10.2205 10.6591 10.6591 10.6737 10.6737 13.6045 13.6045 14.8438 14.8438 15.6459 15.6459 16.7714 16.7714 k = 0.5000 0.2887 0.3751 ( 2372 PWs) bands (ev): -27.7035 -27.7035 -27.4449 -27.4449 -27.1096 -27.1096 -10.1349 -10.1349 -9.6632 -9.6632 -9.3931 -9.3931 -9.2277 -9.2277 -8.7817 -8.7817 -8.5900 -8.5900 -8.0821 -8.0821 -7.5913 -7.5913 -7.4526 -7.4526 0.3289 0.3289 0.6894 0.6894 8.4476 8.4476 9.4365 9.4365 9.5902 9.5902 10.2251 10.2251 10.6644 10.6644 10.6745 10.6745 13.5966 13.5966 14.8475 14.8475 15.6555 15.6555 16.7647 16.7647 k = 0.5000 0.2887 0.3626 ( 2364 PWs) bands (ev): -27.7035 -27.7035 -27.4449 -27.4449 -27.1095 -27.1095 -10.1326 -10.1326 -9.6645 -9.6645 -9.3956 -9.3956 -9.2236 -9.2236 -8.7806 -8.7806 -8.5918 -8.5918 -8.0840 -8.0840 -7.5900 -7.5900 -7.4533 -7.4533 0.3272 0.3272 0.6852 0.6852 8.4531 8.4531 9.4363 9.4363 9.5932 9.5932 10.2331 10.2331 10.6724 10.6724 10.6766 10.6766 13.5837 13.5837 14.8537 14.8537 15.6714 15.6714 16.7537 16.7537 k = 0.5000 0.2887 0.3501 ( 2352 PWs) bands (ev): -27.7034 -27.7034 -27.4450 -27.4450 -27.1094 -27.1094 -10.1295 -10.1295 -9.6662 -9.6662 -9.3988 -9.3988 -9.2181 -9.2181 -8.7791 -8.7791 -8.5943 -8.5943 -8.0867 -8.0867 -7.5883 -7.5883 -7.4542 -7.4542 0.3248 0.3248 0.6794 0.6794 8.4607 8.4607 9.4361 9.4361 9.5972 9.5972 10.2444 10.2444 10.6762 10.6762 10.6868 10.6868 13.5662 13.5662 14.8623 14.8623 15.6928 15.6928 16.7386 16.7386 k = 0.5000 0.2887 0.3376 ( 2354 PWs) bands (ev): -27.7034 -27.7034 -27.4452 -27.4452 -27.1093 -27.1093 -10.1256 -10.1256 -9.6685 -9.6685 -9.4028 -9.4028 -9.2114 -9.2114 -8.7773 -8.7773 -8.5973 -8.5973 -8.0903 -8.0903 -7.5862 -7.5862 -7.4554 -7.4554 0.3218 0.3218 0.6720 0.6720 8.4704 8.4704 9.4357 9.4357 9.6017 9.6017 10.2593 10.2593 10.6783 10.6783 10.7025 10.7025 13.5443 13.5443 14.8732 14.8732 15.7193 15.7193 16.7196 16.7196 k = 0.5000 0.2887 0.3251 ( 2354 PWs) bands (ev): -27.7034 -27.7034 -27.4453 -27.4453 -27.1092 -27.1092 -10.1208 -10.1208 -9.6713 -9.6713 -9.4072 -9.4072 -9.2037 -9.2037 -8.7753 -8.7753 -8.6008 -8.6008 -8.0946 -8.0946 -7.5837 -7.5837 -7.4570 -7.4570 0.3182 0.3182 0.6631 0.6631 8.4820 8.4820 9.4353 9.4353 9.6066 9.6066 10.2780 10.2780 10.6805 10.6805 10.7217 10.7217 13.5187 13.5187 14.8865 14.8865 15.7500 15.7500 16.6970 16.6970 k = 0.5000 0.2887 0.3126 ( 2354 PWs) bands (ev): -27.7034 -27.7034 -27.4455 -27.4455 -27.1091 -27.1091 -10.1152 -10.1152 -9.6743 -9.6743 -9.4120 -9.4120 -9.1952 -9.1952 -8.7732 -8.7732 -8.6045 -8.6045 -8.0997 -8.0997 -7.5808 -7.5808 -7.4587 -7.4587 0.3141 0.3141 0.6528 0.6528 8.4954 8.4954 9.4349 9.4349 9.6115 9.6115 10.3009 10.3009 10.6831 10.6831 10.7441 10.7441 13.4897 13.4897 14.9022 14.9022 15.7842 15.7842 16.6711 16.6711 k = 0.5000 0.2887 0.3001 ( 2346 PWs) bands (ev): -27.7034 -27.7034 -27.4457 -27.4457 -27.1089 -27.1089 -10.1088 -10.1088 -9.6777 -9.6777 -9.4171 -9.4171 -9.1860 -9.1860 -8.7712 -8.7712 -8.6083 -8.6083 -8.1053 -8.1053 -7.5775 -7.5775 -7.4607 -7.4607 0.3095 0.3095 0.6412 0.6412 8.5105 8.5105 9.4344 9.4344 9.6161 9.6161 10.3280 10.3280 10.6860 10.6860 10.7696 10.7696 13.4580 13.4580 14.9203 14.9203 15.8211 15.8211 16.6423 16.6423 k = 0.5000 0.2887 0.2876 ( 2348 PWs) bands (ev): -27.7034 -27.7034 -27.4459 -27.4459 -27.1087 -27.1087 -10.1017 -10.1017 -9.6814 -9.6814 -9.4224 -9.4224 -9.1763 -9.1763 -8.7694 -8.7694 -8.6120 -8.6120 -8.1117 -8.1117 -7.5740 -7.5740 -7.4629 -7.4629 0.3046 0.3046 0.6283 0.6283 8.5272 8.5272 9.4338 9.4338 9.6201 9.6201 10.3595 10.3595 10.6891 10.6891 10.7980 10.7980 13.4240 13.4240 14.9403 14.9403 15.8596 15.8596 16.6109 16.6109 k = 0.5000 0.2887 0.2751 ( 2350 PWs) bands (ev): -27.7034 -27.7034 -27.4462 -27.4462 -27.1085 -27.1085 -10.0939 -10.0939 -9.6854 -9.6854 -9.4278 -9.4278 -9.1662 -9.1662 -8.7681 -8.7681 -8.6153 -8.6153 -8.1188 -8.1188 -7.5702 -7.5702 -7.4654 -7.4654 0.2993 0.2993 0.6144 0.6144 8.5454 8.5454 9.4332 9.4332 9.6231 9.6231 10.3956 10.3956 10.6925 10.6925 10.8290 10.8290 13.3880 13.3880 14.9627 14.9627 15.8990 15.8990 16.5774 16.5774 k = 0.5000 0.2887 0.2626 ( 2354 PWs) bands (ev): -27.7034 -27.7034 -27.4464 -27.4464 -27.1083 -27.1083 -10.0854 -10.0854 -9.6895 -9.6895 -9.4333 -9.4333 -9.1561 -9.1561 -8.7673 -8.7673 -8.6180 -8.6180 -8.1265 -8.1265 -7.5663 -7.5663 -7.4681 -7.4681 0.2938 0.2938 0.5994 0.5994 8.5647 8.5647 9.4326 9.4326 9.6251 9.6251 10.4361 10.4361 10.6961 10.6961 10.8625 10.8625 13.3506 13.3506 14.9871 14.9871 15.9384 15.9384 16.5420 16.5420 k = 0.5000 0.2887 0.2501 ( 2352 PWs) bands (ev): -27.7034 -27.7034 -27.4467 -27.4467 -27.1081 -27.1081 -10.0763 -10.0763 -9.6938 -9.6938 -9.4387 -9.4387 -9.1458 -9.1458 -8.7672 -8.7672 -8.6199 -8.6199 -8.1348 -8.1348 -7.5621 -7.5621 -7.4709 -7.4709 0.2881 0.2881 0.5836 0.5836 8.5852 8.5852 9.4320 9.4320 9.6259 9.6259 10.4811 10.4811 10.6999 10.6999 10.8981 10.8981 13.3120 13.3120 15.0135 15.0135 15.9769 15.9769 16.5054 16.5054 k = 0.5000 0.2887 0.2376 ( 2362 PWs) bands (ev): -27.7034 -27.7034 -27.4470 -27.4470 -27.1079 -27.1079 -10.0666 -10.0666 -9.6982 -9.6982 -9.4442 -9.4442 -9.1358 -9.1358 -8.7679 -8.7679 -8.6209 -8.6209 -8.1435 -8.1435 -7.5580 -7.5580 -7.4738 -7.4738 0.2824 0.2824 0.5670 0.5670 8.6065 8.6065 9.4313 9.4313 9.6255 9.6255 10.5303 10.5303 10.7038 10.7038 10.9356 10.9356 13.2726 13.2726 15.0419 15.0419 16.0138 16.0138 16.4676 16.4676 k = 0.5000 0.2887 0.2251 ( 2358 PWs) bands (ev): -27.7033 -27.7033 -27.4473 -27.4473 -27.1077 -27.1077 -10.0564 -10.0564 -9.7025 -9.7025 -9.4496 -9.4496 -9.1261 -9.1261 -8.7692 -8.7692 -8.6206 -8.6206 -8.1528 -8.1528 -7.5538 -7.5538 -7.4767 -7.4767 0.2768 0.2768 0.5499 0.5499 8.6285 8.6285 9.4307 9.4307 9.6239 9.6239 10.5834 10.5834 10.7078 10.7078 10.9748 10.9748 13.2325 13.2325 15.0722 15.0722 16.0484 16.0484 16.4294 16.4294 k = 0.5000 0.2887 0.2126 ( 2354 PWs) bands (ev): -27.7033 -27.7033 -27.4476 -27.4476 -27.1075 -27.1075 -10.0458 -10.0458 -9.7069 -9.7069 -9.4549 -9.4549 -9.1168 -9.1168 -8.7711 -8.7711 -8.6193 -8.6193 -8.1624 -8.1624 -7.5495 -7.5495 -7.4798 -7.4798 0.2712 0.2712 0.5322 0.5322 8.6511 8.6511 9.4301 9.4301 9.6211 9.6211 10.6400 10.6400 10.7120 10.7120 11.0152 11.0152 13.1920 13.1920 15.1042 15.1042 16.0801 16.0801 16.3910 16.3910 k = 0.5000 0.2887 0.2001 ( 2354 PWs) bands (ev): -27.7033 -27.7033 -27.4479 -27.4479 -27.1072 -27.1072 -10.0348 -10.0348 -9.7112 -9.7112 -9.4600 -9.4600 -9.1083 -9.1083 -8.7735 -8.7735 -8.6170 -8.6170 -8.1725 -8.1725 -7.5452 -7.5452 -7.4830 -7.4830 0.2659 0.2659 0.5143 0.5143 8.6741 8.6741 9.4295 9.4295 9.6172 9.6172 10.6989 10.6989 10.7171 10.7171 11.0566 11.0566 13.1512 13.1512 15.1377 15.1377 16.1082 16.1082 16.3529 16.3529 k = 0.5000 0.2887 0.1876 ( 2362 PWs) bands (ev): -27.7033 -27.7033 -27.4482 -27.4482 -27.1070 -27.1070 -10.0236 -10.0236 -9.7155 -9.7155 -9.4651 -9.4651 -9.1006 -9.1006 -8.7761 -8.7761 -8.6138 -8.6138 -8.1829 -8.1829 -7.5411 -7.5411 -7.4861 -7.4861 0.2609 0.2609 0.4961 0.4961 8.6971 8.6971 9.4289 9.4289 9.6124 9.6124 10.7191 10.7191 10.7635 10.7635 11.0986 11.0986 13.1102 13.1102 15.1726 15.1726 16.1323 16.1323 16.3157 16.3157 k = 0.5000 0.2887 0.1751 ( 2362 PWs) bands (ev): -27.7033 -27.7033 -27.4485 -27.4485 -27.1068 -27.1068 -10.0122 -10.0122 -9.7197 -9.7197 -9.4700 -9.4700 -9.0938 -9.0938 -8.7786 -8.7786 -8.6098 -8.6098 -8.1934 -8.1934 -7.5370 -7.5370 -7.4893 -7.4893 0.2563 0.2563 0.4779 0.4779 8.7202 8.7202 9.4283 9.4283 9.6067 9.6067 10.7234 10.7234 10.8279 10.8279 11.1409 11.1409 13.0692 13.0692 15.2087 15.2087 16.1515 16.1515 16.2808 16.2808 k = 0.5000 0.2887 0.1625 ( 2362 PWs) bands (ev): -27.7033 -27.7033 -27.4488 -27.4488 -27.1066 -27.1066 -10.0007 -10.0007 -9.7237 -9.7237 -9.4747 -9.4747 -9.0882 -9.0882 -8.7806 -8.7806 -8.6053 -8.6053 -8.2042 -8.2042 -7.5330 -7.5330 -7.4924 -7.4924 0.2522 0.2522 0.4597 0.4597 8.7430 8.7430 9.4278 9.4278 9.6003 9.6003 10.7273 10.7273 10.8941 10.8941 11.1833 11.1833 13.0281 13.0281 15.2457 15.2457 16.1635 16.1635 16.2507 16.2507 k = 0.5000 0.2887 0.1500 ( 2360 PWs) bands (ev): -27.7032 -27.7032 -27.4491 -27.4491 -27.1063 -27.1063 -9.9893 -9.9893 -9.7275 -9.7275 -9.4792 -9.4792 -9.0837 -9.0837 -8.7821 -8.7821 -8.6003 -8.6003 -8.2150 -8.2150 -7.5293 -7.5293 -7.4955 -7.4955 0.2486 0.2486 0.4417 0.4417 8.7654 8.7654 9.4273 9.4273 9.5933 9.5933 10.7310 10.7310 10.9610 10.9610 11.2255 11.2255 12.9871 12.9871 15.2834 15.2834 16.1622 16.1622 16.2321 16.2321 k = 0.5000 0.2887 0.1375 ( 2360 PWs) bands (ev): -27.7032 -27.7032 -27.4493 -27.4493 -27.1061 -27.1061 -9.9779 -9.9779 -9.7312 -9.7312 -9.4835 -9.4835 -9.0805 -9.0805 -8.7828 -8.7828 -8.5950 -8.5950 -8.2257 -8.2257 -7.5257 -7.5257 -7.4984 -7.4984 0.2457 0.2457 0.4240 0.4240 8.7872 8.7872 9.4269 9.4269 9.5859 9.5859 10.7346 10.7346 11.0277 11.0277 11.2673 11.2673 12.9462 12.9462 15.3215 15.3215 16.1441 16.1441 16.2291 16.2291 k = 0.5000 0.2887 0.1250 ( 2360 PWs) bands (ev): -27.7032 -27.7032 -27.4496 -27.4496 -27.1059 -27.1059 -9.9669 -9.9669 -9.7346 -9.7346 -9.4876 -9.4876 -9.0785 -9.0785 -8.7828 -8.7828 -8.5896 -8.5896 -8.2363 -8.2363 -7.5224 -7.5224 -7.5013 -7.5013 0.2436 0.2436 0.4068 0.4068 8.8081 8.8081 9.4264 9.4264 9.5783 9.5783 10.7379 10.7379 11.0931 11.0931 11.3087 11.3087 12.9056 12.9056 15.3595 15.3595 16.1179 16.1179 16.2339 16.2339 k = 0.5000 0.2887 0.1125 ( 2352 PWs) bands (ev): -27.7032 -27.7032 -27.4498 -27.4498 -27.1058 -27.1058 -9.9561 -9.9561 -9.7378 -9.7378 -9.4914 -9.4914 -9.0776 -9.0776 -8.7819 -8.7819 -8.5842 -8.5842 -8.2465 -8.2465 -7.5193 -7.5193 -7.5039 -7.5039 0.2422 0.2422 0.3900 0.3900 8.8280 8.8280 9.4261 9.4261 9.5707 9.5707 10.7410 10.7410 11.1560 11.1560 11.3500 11.3500 12.8654 12.8654 15.3971 15.3971 16.0903 16.0903 16.2405 16.2405 k = 0.5000 0.2887 0.1000 ( 2348 PWs) bands (ev): -27.7032 -27.7032 -27.4500 -27.4500 -27.1056 -27.1056 -9.9460 -9.9460 -9.7408 -9.7408 -9.4950 -9.4950 -9.0776 -9.0776 -8.7803 -8.7803 -8.5790 -8.5790 -8.2564 -8.2564 -7.5164 -7.5164 -7.5063 -7.5063 0.2417 0.2417 0.3738 0.3738 8.8466 8.8466 9.4257 9.4257 9.5631 9.5631 10.7438 10.7438 11.2146 11.2146 11.3913 11.3913 12.8259 12.8259 15.4338 15.4338 16.0637 16.0637 16.2473 16.2473 k = 0.5000 0.2887 0.0875 ( 2352 PWs) bands (ev): -27.7032 -27.7032 -27.4502 -27.4502 -27.1054 -27.1054 -9.9366 -9.9366 -9.7434 -9.7434 -9.4982 -9.4982 -9.0785 -9.0785 -8.7783 -8.7783 -8.5739 -8.5739 -8.2658 -8.2658 -7.5140 -7.5140 -7.5085 -7.5085 0.2420 0.2420 0.3584 0.3584 8.8638 8.8638 9.4254 9.4254 9.5558 9.5558 10.7464 10.7464 11.2672 11.2672 11.4331 11.4331 12.7875 12.7875 15.4688 15.4688 16.0391 16.0391 16.2538 16.2538 k = 0.5000 0.2887 0.0750 ( 2352 PWs) bands (ev): -27.7032 -27.7032 -27.4504 -27.4504 -27.1053 -27.1053 -9.9280 -9.9280 -9.7458 -9.7458 -9.5012 -9.5012 -9.0798 -9.0798 -8.7759 -8.7759 -8.5693 -8.5693 -8.2744 -8.2744 -7.5124 -7.5124 -7.5099 -7.5099 0.2433 0.2433 0.3438 0.3438 8.8792 8.8792 9.4252 9.4252 9.5489 9.5489 10.7487 10.7487 11.3124 11.3124 11.4753 11.4753 12.7506 12.7506 15.5016 15.5016 16.0170 16.0170 16.2601 16.2601 k = 0.5000 0.2887 0.0625 ( 2356 PWs) bands (ev): -27.7032 -27.7032 -27.4506 -27.4506 -27.1052 -27.1052 -9.9204 -9.9204 -9.7479 -9.7479 -9.5038 -9.5038 -9.0815 -9.0815 -8.7735 -8.7735 -8.5650 -8.5650 -8.2821 -8.2821 -7.5129 -7.5129 -7.5093 -7.5093 0.2456 0.2456 0.3300 0.3300 8.8927 8.8927 9.4249 9.4249 9.5427 9.5427 10.7506 10.7506 11.3494 11.3494 11.5170 11.5170 12.7162 12.7162 15.5315 15.5315 15.9978 15.9978 16.2661 16.2661 k = 0.5000 0.2887 0.0500 ( 2346 PWs) bands (ev): -27.7031 -27.7031 -27.4507 -27.4507 -27.1051 -27.1051 -9.9139 -9.9139 -9.7496 -9.7496 -9.5059 -9.5059 -9.0831 -9.0831 -8.7710 -8.7710 -8.5614 -8.5614 -8.2887 -8.2887 -7.5142 -7.5142 -7.5078 -7.5078 0.2489 0.2489 0.3172 0.3172 8.9042 8.9042 9.4248 9.4248 9.5374 9.5374 10.7522 10.7522 11.3786 11.3786 11.5563 11.5563 12.6853 12.6853 15.5575 15.5575 15.9819 15.9819 16.2718 16.2718 k = 0.5000 0.2887 0.0375 ( 2346 PWs) bands (ev): -27.7031 -27.7031 -27.4508 -27.4508 -27.1050 -27.1050 -9.9087 -9.9087 -9.7509 -9.7509 -9.5076 -9.5076 -9.0846 -9.0846 -8.7690 -8.7690 -8.5584 -8.5584 -8.2941 -8.2941 -7.5153 -7.5153 -7.5066 -7.5066 0.2531 0.2531 0.3055 0.3055 8.9133 8.9133 9.4247 9.4247 9.5330 9.5330 10.7535 10.7535 11.4004 11.4004 11.5906 11.5906 12.6591 12.6591 15.5788 15.5788 15.9693 15.9693 16.2768 16.2768 k = 0.5000 0.2887 0.0250 ( 2344 PWs) bands (ev): -27.7031 -27.7031 -27.4509 -27.4509 -27.1049 -27.1049 -9.9049 -9.9049 -9.7519 -9.7519 -9.5089 -9.5089 -9.0858 -9.0858 -8.7673 -8.7673 -8.5561 -8.5561 -8.2980 -8.2980 -7.5161 -7.5161 -7.5057 -7.5057 0.2582 0.2582 0.2950 0.2950 8.9199 8.9199 9.4246 9.4246 9.5298 9.5298 10.7544 10.7544 11.4155 11.4155 11.6173 11.6173 12.6389 12.6389 15.5948 15.5948 15.9602 15.9602 16.2808 16.2808 k = 0.5000 0.2887 0.0125 ( 2344 PWs) bands (ev): -27.7031 -27.7031 -27.4509 -27.4509 -27.1049 -27.1049 -9.9026 -9.9026 -9.7525 -9.7525 -9.5097 -9.5097 -9.0865 -9.0865 -8.7663 -8.7663 -8.5548 -8.5548 -8.3005 -8.3005 -7.5166 -7.5166 -7.5052 -7.5052 0.2635 0.2635 0.2864 0.2864 8.9239 8.9239 9.4245 9.4245 9.5278 9.5278 10.7549 10.7549 11.4244 11.4244 11.6344 11.6344 12.6261 12.6261 15.6046 15.6046 15.9546 15.9546 16.2834 16.2834 k = 0.5000 0.2887-0.0000 ( 2342 PWs) bands (ev): -27.7031 -27.7031 -27.4509 -27.4509 -27.1049 -27.1049 -9.9018 -9.9018 -9.7527 -9.7527 -9.5099 -9.5099 -9.0868 -9.0868 -8.7659 -8.7659 -8.5543 -8.5543 -8.3013 -8.3013 -7.5167 -7.5167 -7.5050 -7.5050 0.2666 0.2666 0.2823 0.2823 8.9253 8.9253 9.4245 9.4245 9.5271 9.5271 10.7551 10.7551 11.4273 11.4273 11.6403 11.6403 12.6217 12.6217 15.6080 15.6080 15.9528 15.9528 16.2843 16.2843 k = 0.3333 0.5774-0.0000 ( 2364 PWs) bands (ev): -27.6977 -27.6977 -27.2807 -27.2807 -27.2806 -27.2806 -9.8253 -9.8253 -9.7170 -9.7170 -9.5841 -9.5841 -9.1944 -9.1944 -8.8779 -8.8779 -8.7917 -8.7917 -7.8410 -7.8410 -7.7388 -7.7388 -7.3525 -7.3525 0.2963 0.2963 0.2967 0.2967 9.5323 9.5323 9.6129 9.6129 9.6179 9.6179 9.7834 9.7834 11.5600 11.5600 11.5607 11.5607 12.1405 12.1405 15.9364 15.9364 16.3800 16.3800 16.3872 16.3872 k = 0.3333 0.5774 0.0125 ( 2355 PWs) bands (ev): -27.6977 -27.6977 -27.2807 -27.2807 -27.2806 -27.2806 -9.8257 -9.8257 -9.7174 -9.7174 -9.5850 -9.5850 -9.1932 -9.1932 -8.8771 -8.8771 -8.7911 -8.7911 -7.8412 -7.8412 -7.7390 -7.7390 -7.3526 -7.3526 0.2968 0.2968 0.2973 0.2973 9.5242 9.5242 9.6127 9.6127 9.6176 9.6176 9.7916 9.7916 11.5567 11.5567 11.5574 11.5574 12.1420 12.1420 15.9376 15.9376 16.3774 16.3774 16.3843 16.3843 k = 0.3333 0.5774 0.0250 ( 2349 PWs) bands (ev): -27.6977 -27.6977 -27.2807 -27.2807 -27.2806 -27.2806 -9.8271 -9.8271 -9.7188 -9.7188 -9.5880 -9.5880 -9.1899 -9.1899 -8.8751 -8.8751 -8.7891 -8.7891 -7.8418 -7.8418 -7.7395 -7.7395 -7.3531 -7.3531 0.2984 0.2984 0.2988 0.2988 9.5024 9.5024 9.6120 9.6120 9.6167 9.6167 9.8134 9.8134 11.5469 11.5469 11.5476 11.5476 12.1467 12.1467 15.9409 15.9409 16.3699 16.3699 16.3763 16.3763 k = 0.3333 0.5774 0.0375 ( 2343 PWs) bands (ev): -27.6977 -27.6977 -27.2806 -27.2806 -27.2805 -27.2805 -9.8293 -9.8293 -9.7211 -9.7211 -9.5927 -9.5927 -9.1845 -9.1845 -8.8717 -8.8717 -8.7858 -8.7858 -7.8428 -7.8428 -7.7404 -7.7404 -7.3540 -7.3540 0.3010 0.3010 0.3014 0.3014 9.4718 9.4718 9.6108 9.6108 9.6154 9.6154 9.8440 9.8440 11.5308 11.5308 11.5314 11.5314 12.1544 12.1544 15.9464 15.9464 16.3588 16.3588 16.3643 16.3643 k = 0.3333 0.5774 0.0500 ( 2343 PWs) bands (ev): -27.6977 -27.6977 -27.2806 -27.2806 -27.2805 -27.2805 -9.8324 -9.8324 -9.7244 -9.7244 -9.5991 -9.5991 -9.1772 -9.1772 -8.8670 -8.8670 -8.7814 -8.7814 -7.8442 -7.8442 -7.7417 -7.7417 -7.3553 -7.3553 0.3047 0.3047 0.3050 0.3050 9.4362 9.4362 9.6091 9.6091 9.6136 9.6136 9.8796 9.8796 11.5086 11.5086 11.5092 11.5092 12.1651 12.1651 15.9541 15.9541 16.3452 16.3452 16.3499 16.3499 k = 0.3333 0.5774 0.0625 ( 2337 PWs) bands (ev): -27.6976 -27.6976 -27.2806 -27.2806 -27.2805 -27.2805 -9.8363 -9.8363 -9.7284 -9.7284 -9.6070 -9.6070 -9.1682 -9.1682 -8.8611 -8.8611 -8.7757 -8.7757 -7.8460 -7.8460 -7.7434 -7.7434 -7.3569 -7.3569 0.3093 0.3093 0.3096 0.3096 9.3979 9.3979 9.6069 9.6069 9.6113 9.6113 9.9178 9.9178 11.4807 11.4807 11.4813 11.4813 12.1787 12.1787 15.9639 15.9639 16.3305 16.3305 16.3343 16.3343 k = 0.3333 0.5774 0.0750 ( 2349 PWs) bands (ev): -27.6976 -27.6976 -27.2806 -27.2806 -27.2805 -27.2805 -9.8410 -9.8410 -9.7333 -9.7333 -9.6161 -9.6161 -9.1579 -9.1579 -8.8541 -8.8541 -8.7690 -8.7690 -7.8483 -7.8483 -7.7455 -7.7455 -7.3589 -7.3589 0.3148 0.3148 0.3151 0.3151 9.3582 9.3582 9.6042 9.6042 9.6085 9.6085 9.9574 9.9574 11.4477 11.4477 11.4483 11.4483 12.1950 12.1950 15.9757 15.9757 16.3153 16.3153 16.3184 16.3184 k = 0.3333 0.5774 0.0875 ( 2355 PWs) bands (ev): -27.6976 -27.6976 -27.2806 -27.2806 -27.2805 -27.2805 -9.8463 -9.8463 -9.7389 -9.7389 -9.6262 -9.6262 -9.1464 -9.1464 -8.8460 -8.8460 -8.7613 -8.7613 -7.8509 -7.8509 -7.7479 -7.7479 -7.3612 -7.3612 0.3213 0.3213 0.3214 0.3214 9.3179 9.3179 9.6010 9.6010 9.6052 9.6052 9.9977 9.9977 11.4101 11.4101 11.4106 11.4106 12.2140 12.2140 15.9896 15.9896 16.3003 16.3003 16.3026 16.3026 k = 0.3333 0.5774 0.1000 ( 2355 PWs) bands (ev): -27.6976 -27.6976 -27.2806 -27.2806 -27.2805 -27.2805 -9.8522 -9.8522 -9.7451 -9.7451 -9.6370 -9.6370 -9.1339 -9.1339 -8.8369 -8.8369 -8.7526 -8.7526 -7.8538 -7.8538 -7.7506 -7.7506 -7.3638 -7.3638 0.3286 0.3286 0.3287 0.3287 9.2776 9.2776 9.5973 9.5973 9.6013 9.6013 10.0382 10.0382 11.3685 11.3685 11.3689 11.3689 12.2355 12.2355 16.0055 16.0055 16.2857 16.2857 16.2874 16.2874 k = 0.3333 0.5774 0.1125 ( 2340 PWs) bands (ev): -27.6976 -27.6976 -27.2805 -27.2805 -27.2804 -27.2804 -9.8586 -9.8586 -9.7517 -9.7517 -9.6484 -9.6484 -9.1205 -9.1205 -8.8270 -8.8270 -8.7430 -8.7430 -7.8571 -7.8571 -7.7536 -7.7536 -7.3667 -7.3667 0.3367 0.3367 0.3367 0.3367 9.2375 9.2375 9.5931 9.5931 9.5970 9.5970 10.0785 10.0785 11.3235 11.3235 11.3239 11.3239 12.2594 12.2594 16.0232 16.0232 16.2718 16.2718 16.2729 16.2729 k = 0.3333 0.5774 0.1250 ( 2340 PWs) bands (ev): -27.6976 -27.6976 -27.2805 -27.2805 -27.2804 -27.2804 -9.8654 -9.8654 -9.7589 -9.7589 -9.6601 -9.6601 -9.1066 -9.1066 -8.8163 -8.8163 -8.7327 -8.7327 -7.8607 -7.8607 -7.7569 -7.7569 -7.3698 -7.3698 0.3454 0.3454 0.3455 0.3455 9.1980 9.1980 9.5883 9.5883 9.5920 9.5920 10.1184 10.1184 11.2759 11.2759 11.2762 11.2762 12.2854 12.2854 16.0426 16.0426 16.2585 16.2585 16.2591 16.2591 k = 0.3333 0.5774 0.1375 ( 2337 PWs) bands (ev): -27.6976 -27.6976 -27.2805 -27.2805 -27.2804 -27.2804 -9.8725 -9.8725 -9.7664 -9.7664 -9.6721 -9.6721 -9.0923 -9.0923 -8.8050 -8.8050 -8.7218 -8.7218 -7.8646 -7.8646 -7.7604 -7.7604 -7.3732 -7.3732 0.3547 0.3547 0.3549 0.3549 9.1592 9.1592 9.5829 9.5829 9.5865 9.5865 10.1577 10.1577 11.2262 11.2262 11.2264 11.2264 12.3133 12.3133 16.0635 16.0635 16.2459 16.2459 16.2460 16.2460 k = 0.3333 0.5774 0.1500 ( 2337 PWs) bands (ev): -27.6975 -27.6975 -27.2805 -27.2805 -27.2804 -27.2804 -9.8799 -9.8799 -9.7742 -9.7742 -9.6842 -9.6842 -9.0778 -9.0778 -8.7932 -8.7932 -8.7103 -8.7103 -7.8689 -7.8689 -7.7643 -7.7643 -7.3768 -7.3768 0.3645 0.3645 0.3649 0.3649 9.1213 9.1213 9.5770 9.5770 9.5804 9.5804 10.1963 10.1963 11.1750 11.1750 11.1752 11.1752 12.3429 12.3429 16.0857 16.0857 16.2336 16.2336 16.2338 16.2338 k = 0.3333 0.5774 0.1625 ( 2343 PWs) bands (ev): -27.6975 -27.6975 -27.2804 -27.2804 -27.2803 -27.2803 -9.8874 -9.8874 -9.7822 -9.7822 -9.6963 -9.6963 -9.0632 -9.0632 -8.7811 -8.7811 -8.6985 -8.6985 -7.8734 -7.8734 -7.7683 -7.7683 -7.3806 -7.3806 0.3748 0.3748 0.3753 0.3753 9.0845 9.0845 9.5706 9.5706 9.5738 9.5738 10.2340 10.2340 11.1231 11.1231 11.1232 11.1232 12.3740 12.3740 16.1087 16.1087 16.2219 16.2219 16.2224 16.2224 k = 0.3333 0.5774 0.1751 ( 2355 PWs) bands (ev): -27.6975 -27.6975 -27.2804 -27.2804 -27.2803 -27.2803 -9.8950 -9.8950 -9.7903 -9.7903 -9.7083 -9.7083 -9.0486 -9.0486 -8.7686 -8.7686 -8.6863 -8.6863 -7.8782 -7.8782 -7.7727 -7.7727 -7.3846 -7.3846 0.3855 0.3855 0.3861 0.3861 9.0489 9.0489 9.5636 9.5636 9.5666 9.5666 10.2707 10.2707 11.0709 11.0709 11.0710 11.0710 12.4063 12.4063 16.1322 16.1322 16.2107 16.2107 16.2114 16.2114 k = 0.3333 0.5774 0.1876 ( 2361 PWs) bands (ev): -27.6975 -27.6975 -27.2804 -27.2804 -27.2803 -27.2803 -9.9026 -9.9026 -9.7984 -9.7984 -9.7200 -9.7200 -9.0342 -9.0342 -8.7560 -8.7560 -8.6740 -8.6740 -7.8832 -7.8832 -7.7771 -7.7771 -7.3887 -7.3887 0.3964 0.3964 0.3971 0.3971 9.0147 9.0147 9.5561 9.5561 9.5588 9.5588 10.3063 10.3063 11.0191 11.0191 11.0193 11.0193 12.4396 12.4396 16.1555 16.1555 16.2001 16.2001 16.2011 16.2011 k = 0.3333 0.5774 0.2001 ( 2361 PWs) bands (ev): -27.6975 -27.6975 -27.2804 -27.2804 -27.2803 -27.2803 -9.9101 -9.9101 -9.8064 -9.8064 -9.7314 -9.7314 -9.0200 -9.0200 -8.7434 -8.7434 -8.6615 -8.6615 -7.8883 -7.8883 -7.7816 -7.7816 -7.3928 -7.3928 0.4075 0.4075 0.4084 0.4084 8.9819 8.9819 9.5481 9.5481 9.5506 9.5506 10.3408 10.3408 10.9682 10.9682 10.9686 10.9686 12.4736 12.4736 16.1775 16.1775 16.1907 16.1907 16.1912 16.1912 k = 0.3333 0.5774 0.2126 ( 2361 PWs) bands (ev): -27.6975 -27.6975 -27.2804 -27.2804 -27.2803 -27.2803 -9.9175 -9.9175 -9.8143 -9.8143 -9.7424 -9.7424 -9.0061 -9.0061 -8.7308 -8.7308 -8.6490 -8.6490 -7.8935 -7.8935 -7.7862 -7.7862 -7.3969 -7.3969 0.4186 0.4186 0.4196 0.4196 8.9506 8.9506 9.5396 9.5396 9.5419 9.5419 10.3739 10.3739 10.9187 10.9187 10.9192 10.9192 12.5080 12.5080 16.1799 16.1799 16.1819 16.1819 16.1992 16.1992 k = 0.3333 0.5774 0.2251 ( 2361 PWs) bands (ev): -27.6975 -27.6975 -27.2803 -27.2803 -27.2802 -27.2802 -9.9247 -9.9247 -9.8220 -9.8220 -9.7530 -9.7530 -8.9927 -8.9927 -8.7183 -8.7183 -8.6367 -8.6367 -7.8988 -7.8988 -7.7908 -7.7908 -7.4011 -7.4011 0.4297 0.4297 0.4308 0.4308 8.9210 8.9210 9.5308 9.5308 9.5328 9.5328 10.4055 10.4055 10.8711 10.8711 10.8717 10.8717 12.5426 12.5426 16.1712 16.1712 16.1731 16.1731 16.2156 16.2156 k = 0.3333 0.5774 0.2376 ( 2361 PWs) bands (ev): -27.6975 -27.6975 -27.2803 -27.2803 -27.2802 -27.2802 -9.9316 -9.9316 -9.8294 -9.8294 -9.7630 -9.7630 -8.9798 -8.9798 -8.7062 -8.7062 -8.6246 -8.6246 -7.9041 -7.9041 -7.7954 -7.7954 -7.4052 -7.4052 0.4406 0.4406 0.4419 0.4419 8.8931 8.8931 9.5216 9.5216 9.5234 9.5234 10.4357 10.4357 10.8256 10.8256 10.8264 10.8264 12.5770 12.5770 16.1627 16.1627 16.1647 16.1647 16.2264 16.2264 k = 0.3333 0.5774 0.2501 ( 2361 PWs) bands (ev): -27.6974 -27.6974 -27.2803 -27.2803 -27.2802 -27.2802 -9.9382 -9.9382 -9.8365 -9.8365 -9.7725 -9.7725 -8.9675 -8.9675 -8.6944 -8.6944 -8.6128 -8.6128 -7.9094 -7.9094 -7.8000 -7.8000 -7.4092 -7.4092 0.4513 0.4513 0.4526 0.4526 8.8669 8.8669 9.5122 9.5122 9.5137 9.5137 10.4641 10.4641 10.7828 10.7828 10.7837 10.7837 12.6109 12.6109 16.1548 16.1548 16.1568 16.1568 16.2289 16.2289 k = 0.3333 0.5774 0.2626 ( 2361 PWs) bands (ev): -27.6974 -27.6974 -27.2802 -27.2802 -27.2801 -27.2801 -9.9444 -9.9444 -9.8432 -9.8432 -9.7814 -9.7814 -8.9559 -8.9559 -8.6831 -8.6831 -8.6014 -8.6014 -7.9146 -7.9146 -7.8044 -7.8044 -7.4131 -7.4131 0.4615 0.4615 0.4630 0.4630 8.8426 8.8426 9.5027 9.5027 9.5039 9.5039 10.4908 10.4908 10.7427 10.7427 10.7439 10.7439 12.6441 12.6441 16.1473 16.1473 16.1494 16.1494 16.2208 16.2208 k = 0.3333 0.5774 0.2751 ( 2367 PWs) bands (ev): -27.6974 -27.6974 -27.2802 -27.2802 -27.2801 -27.2801 -9.9503 -9.9503 -9.8495 -9.8495 -9.7896 -9.7896 -8.9450 -8.9450 -8.6724 -8.6724 -8.5906 -8.5906 -7.9197 -7.9197 -7.8088 -7.8088 -7.4168 -7.4168 0.4713 0.4713 0.4729 0.4729 8.8202 8.8202 9.4932 9.4932 9.4942 9.4942 10.5155 10.5155 10.7057 10.7057 10.7071 10.7071 12.6761 12.6761 16.1403 16.1403 16.1425 16.1425 16.2017 16.2017 k = 0.3333 0.5774 0.2876 ( 2367 PWs) bands (ev): -27.6974 -27.6974 -27.2802 -27.2802 -27.2801 -27.2801 -9.9557 -9.9557 -9.8553 -9.8553 -9.7972 -9.7972 -8.9350 -8.9350 -8.6624 -8.6624 -8.5804 -8.5804 -7.9246 -7.9246 -7.8129 -7.8129 -7.4203 -7.4203 0.4805 0.4805 0.4822 0.4822 8.7998 8.7998 9.4839 9.4839 9.4846 9.4846 10.5383 10.5383 10.6720 10.6720 10.6737 10.6737 12.7066 12.7066 16.1338 16.1338 16.1362 16.1362 16.1734 16.1734 k = 0.3333 0.5774 0.3001 ( 2361 PWs) bands (ev): -27.6974 -27.6974 -27.2802 -27.2802 -27.2801 -27.2801 -9.9606 -9.9606 -9.8606 -9.8606 -9.8040 -9.8040 -8.9258 -8.9258 -8.6531 -8.6531 -8.5710 -8.5710 -7.9292 -7.9292 -7.8167 -7.8167 -7.4236 -7.4236 0.4890 0.4890 0.4908 0.4908 8.7814 8.7814 9.4749 9.4749 9.4754 9.4754 10.5588 10.5588 10.6417 10.6417 10.6437 10.6437 12.7352 12.7352 16.1277 16.1277 16.1305 16.1305 16.1394 16.1394 k = 0.3333 0.5774 0.3126 ( 2361 PWs) bands (ev): -27.6974 -27.6974 -27.2801 -27.2801 -27.2800 -27.2800 -9.9650 -9.9650 -9.8654 -9.8654 -9.8101 -9.8101 -8.9176 -8.9176 -8.6448 -8.6448 -8.5624 -8.5624 -7.9334 -7.9334 -7.8203 -7.8203 -7.4266 -7.4266 0.4967 0.4967 0.4986 0.4986 8.7651 8.7651 9.4664 9.4664 9.4667 9.4667 10.5766 10.5766 10.6148 10.6148 10.6178 10.6178 12.7617 12.7617 16.1017 16.1017 16.1234 16.1234 16.1253 16.1253 k = 0.3333 0.5774 0.3251 ( 2364 PWs) bands (ev): -27.6974 -27.6974 -27.2801 -27.2801 -27.2800 -27.2800 -9.9689 -9.9689 -9.8696 -9.8696 -9.8154 -9.8154 -8.9103 -8.9103 -8.6373 -8.6373 -8.5547 -8.5547 -7.9373 -7.9373 -7.8235 -7.8235 -7.4292 -7.4292 0.5036 0.5036 0.5056 0.5056 8.7508 8.7508 9.4586 9.4586 9.4587 9.4587 10.5862 10.5862 10.5915 10.5915 10.6013 10.6013 12.7855 12.7855 16.0657 16.0657 16.1187 16.1187 16.1208 16.1208 k = 0.3333 0.5774 0.3376 ( 2358 PWs) bands (ev): -27.6973 -27.6973 -27.2801 -27.2801 -27.2800 -27.2800 -9.9722 -9.9722 -9.8732 -9.8732 -9.8200 -9.8200 -8.9041 -8.9041 -8.6309 -8.6309 -8.5480 -8.5480 -7.9407 -7.9407 -7.8262 -7.8262 -7.4315 -7.4315 0.5096 0.5096 0.5116 0.5116 8.7387 8.7387 9.4516 9.4516 9.4517 9.4517 10.5718 10.5718 10.5720 10.5720 10.6099 10.6099 12.8064 12.8064 16.0322 16.0322 16.1148 16.1148 16.1170 16.1170 k = 0.3333 0.5774 0.3501 ( 2358 PWs) bands (ev): -27.6973 -27.6973 -27.2801 -27.2801 -27.2800 -27.2800 -9.9749 -9.9749 -9.8762 -9.8762 -9.8237 -9.8237 -8.8990 -8.8990 -8.6255 -8.6255 -8.5424 -8.5424 -7.9436 -7.9436 -7.8286 -7.8286 -7.4334 -7.4334 0.5146 0.5146 0.5166 0.5166 8.7288 8.7288 9.4456 9.4456 9.4458 9.4458 10.5557 10.5557 10.5566 10.5566 10.6207 10.6207 12.8240 12.8240 16.0030 16.0030 16.1115 16.1116 16.1138 16.1138 k = 0.3333 0.5774 0.3626 ( 2364 PWs) bands (ev): -27.6973 -27.6973 -27.2801 -27.2801 -27.2800 -27.2800 -9.9771 -9.9771 -9.8785 -9.8785 -9.8267 -9.8267 -8.8950 -8.8950 -8.6213 -8.6213 -8.5380 -8.5380 -7.9459 -7.9459 -7.8305 -7.8305 -7.4350 -7.4350 0.5185 0.5185 0.5206 0.5206 8.7210 8.7210 9.4407 9.4407 9.4410 9.4410 10.5431 10.5431 10.5444 10.5444 10.6295 10.6295 12.8381 12.8381 15.9793 15.9793 16.1090 16.1090 16.1112 16.1112 k = 0.3333 0.5774 0.3751 ( 2364 PWs) bands (ev): -27.6973 -27.6973 -27.2801 -27.2801 -27.2800 -27.2800 -9.9786 -9.9786 -9.8802 -9.8802 -9.8287 -9.8287 -8.8921 -8.8921 -8.6182 -8.6182 -8.5348 -8.5348 -7.9476 -7.9476 -7.8318 -7.8318 -7.4361 -7.4361 0.5213 0.5213 0.5235 0.5235 8.7155 8.7155 9.4371 9.4371 9.4375 9.4375 10.5342 10.5342 10.5356 10.5356 10.6359 10.6359 12.8483 12.8483 15.9618 15.9618 16.1072 16.1072 16.1094 16.1094 k = 0.3333 0.5774 0.3876 ( 2361 PWs) bands (ev): -27.6973 -27.6973 -27.2801 -27.2801 -27.2800 -27.2800 -9.9796 -9.9796 -9.8812 -9.8812 -9.8300 -9.8300 -8.8903 -8.8903 -8.6164 -8.6164 -8.5329 -8.5329 -7.9486 -7.9486 -7.8326 -7.8326 -7.4368 -7.4368 0.5230 0.5230 0.5252 0.5252 8.7121 8.7121 9.4349 9.4349 9.4354 9.4354 10.5288 10.5288 10.5303 10.5303 10.6397 10.6397 12.8545 12.8545 15.9512 15.9512 16.1061 16.1061 16.1084 16.1084 k = 0.3333 0.5774 0.4001 ( 2364 PWs) bands (ev): -27.6973 -27.6973 -27.2801 -27.2801 -27.2800 -27.2800 -9.9799 -9.9799 -9.8816 -9.8816 -9.8304 -9.8304 -8.8897 -8.8897 -8.6158 -8.6158 -8.5322 -8.5322 -7.9489 -7.9489 -7.8329 -7.8329 -7.4370 -7.4370 0.5236 0.5236 0.5258 0.5258 8.7110 8.7110 9.4342 9.4342 9.4346 9.4346 10.5271 10.5271 10.5286 10.5286 10.6410 10.6410 12.8566 12.8566 15.9476 15.9476 16.1057 16.1057 16.1080 16.1080 Writing output data file Ca3N2.save init_run : 0.17s CPU 0.34s WALL ( 1 calls) electrons : 240.27s CPU 245.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 240.26s CPU 245.90s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.04s WALL ( 361 calls) cegterg : 230.15s CPU 233.95s WALL ( 1021 calls) Called by sum_band: Called by *egterg: h_psi : 97.85s CPU 99.95s WALL ( 19306 calls) s_psi : 6.08s CPU 6.09s WALL ( 19306 calls) g_psi : 0.13s CPU 0.21s WALL ( 17924 calls) cdiaghg : 115.89s CPU 117.58s WALL ( 18285 calls) cegterg:over : 6.61s CPU 6.67s WALL ( 17924 calls) cegterg:upda : 4.74s CPU 4.88s WALL ( 17924 calls) cegterg:last : 2.62s CPU 2.53s WALL ( 2146 calls) cdiaghg:chol : 5.87s CPU 6.04s WALL ( 18285 calls) cdiaghg:inve : 4.12s CPU 4.28s WALL ( 18285 calls) cdiaghg:para : 6.64s CPU 6.59s WALL ( 36570 calls) Called by h_psi: h_psi:vloc : 84.08s CPU 86.12s WALL ( 19306 calls) h_psi:vnl : 13.59s CPU 13.65s WALL ( 19306 calls) add_vuspsi : 7.23s CPU 7.14s WALL ( 19306 calls) General routines calbec : 6.32s CPU 6.47s WALL ( 19306 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 78.82s CPU 80.76s WALL ( 1289916 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.13s WALL ( 722 calls) Parallel routines fft_scatter : 29.70s CPU 30.55s WALL ( 1289939 calls) PWSCF : 4m12.20s CPU 4m44.42s WALL This run was terminated on: 16:38:46 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=